============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 1 0.900 43.223 16.533 39.869 -99.200 -91.000 PHE 3 1.000 33.410 15.503 36.298 -99.200 -91.000 PHE 8 1.000 30.534 21.264 45.748 -99.200 -91.000 TYR 21 0.840 13.739 23.891 41.307 -99.200 -91.000 TYR 34 0.840 -2.644 20.579 17.000 -99.200 -91.000 PHE 40 1.000 9.466 19.986 22.410 -99.200 -91.000 HIS 43 0.900 8.330 29.288 26.383 -99.200 -91.000 TYR 61 0.840 6.071 14.678 22.735 -99.200 -91.000 PHE 64 1.000 15.169 10.085 19.867 -99.200 -91.000 TYR 75 0.840 -1.390 9.717 7.075 -99.200 -91.000 HIS 88 0.900 8.231 5.070 19.501 -99.200 -91.000 HIS 91 0.900 11.339 8.719 29.554 -99.200 -91.000 TYR 92 0.840 4.153 6.055 36.635 -99.200 -91.000 PHE 93 1.000 3.833 1.617 34.675 -99.200 -91.000 TYR 100 0.840 10.158 12.611 45.621 -99.200 -91.000 HIS 102 0.900 13.421 13.902 49.433 -99.200 -91.000 HIS 118 0.900 20.034 14.015 26.530 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2uv6A1 HIS -1 HA 0.06 -0.01 -0.29 -0.75 4.63 3.64 2uv6A1 HIS -1 HB2 0.04 -0.02 0.01 -0.04 3.26 3.26 2uv6A1 HIS -1 HB3 0.03 -0.05 0.03 -0.04 3.20 3.17 2uv6A1 HIS -1 HD2 0.02 -0.01 0.01 -0.04 6.97 6.95 2uv6A1 HIS -1 HE1 0.02 -0.03 -0.01 -0.04 7.75 7.68 2uv6A1 GLU 182 HA 0.02 -0.04 0.01 -0.75 4.29 3.52 2uv6A1 GLU 182 HB2 0.04 -0.05 0.09 -0.04 2.09 2.13 2uv6A1 GLU 182 HB3 0.03 -0.03 0.05 -0.04 1.99 2.00 2uv6A1 GLU 182 HG2 -0.00 0.16 -0.27 -0.04 2.34 2.18 2uv6A1 GLU 182 HG3 0.02 -0.05 -0.00 -0.04 2.34 2.26 2uv6A1 PHE 183 H 0.10 0.10 0.14 -0.55 8.34 8.12 2uv6A1 PHE 183 HA -0.01 0.10 0.81 -0.75 4.62 4.78 2uv6A1 PHE 183 HB2 -0.05 0.11 0.08 -0.04 3.15 3.25 2uv6A1 PHE 183 HB3 -0.05 -0.06 0.15 -0.04 3.06 3.06 2uv6A1 PHE 183 HD2 -0.02 0.03 -0.02 -0.04 7.28 7.22 2uv6A1 PHE 183 HE2 -0.03 0.05 -0.01 -0.04 7.38 7.36 2uv6A1 PHE 183 HZ -0.03 -0.05 -0.03 -0.04 7.32 7.18 2uv6A1 PRO 184 HA -0.73 0.13 0.37 -0.51 4.44 3.70 2uv6A1 PRO 184 HB2 -0.27 0.05 -0.04 -0.04 2.28 1.97 2uv6A1 PRO 184 HB3 -0.78 0.03 0.06 -0.04 2.02 1.29 2uv6A1 PRO 184 HG2 -0.19 -0.02 -0.06 -0.04 2.03 1.72 2uv6A1 PRO 184 HG3 -0.29 -0.01 0.01 -0.04 2.03 1.71 2uv6A1 PRO 184 HD2 -0.18 0.07 0.30 -0.04 3.68 3.84 2uv6A1 PRO 184 HD3 -0.36 0.08 0.12 -0.04 3.65 3.46 2uv6A1 LYS 185 H -0.03 0.16 0.13 -0.55 8.42 8.14 2uv6A1 LYS 185 HA 0.05 0.29 0.53 -0.75 4.32 4.44 2uv6A1 LYS 185 HB2 0.34 -0.06 0.16 -0.04 1.87 2.26 2uv6A1 LYS 185 HB3 0.22 -0.14 0.07 -0.04 1.79 1.89 2uv6A1 LYS 185 HG2 0.13 0.14 0.07 -0.04 1.46 1.77 2uv6A1 LYS 185 HG3 0.12 0.06 0.12 -0.04 1.46 1.72 2uv6A1 LYS 185 HD2 0.11 0.12 0.02 -0.04 1.69 1.90 2uv6A1 LYS 185 HD3 0.45 -0.13 0.02 -0.04 1.68 1.98 2uv6A1 LYS 185 HE2 0.12 0.07 0.00 -0.04 2.99 3.14 2uv6A1 LYS 185 HE3 0.15 -0.01 0.01 -0.04 2.99 3.09 2uv6A1 PRO 186 HA -0.01 0.07 0.40 -0.51 4.44 4.38 2uv6A1 PRO 186 HB2 -0.01 -0.00 0.02 -0.04 2.28 2.24 2uv6A1 PRO 186 HB3 -0.01 0.01 0.08 -0.04 2.02 2.05 2uv6A1 PRO 186 HG2 0.00 0.03 0.09 -0.04 2.03 2.12 2uv6A1 PRO 186 HG3 -0.01 0.11 0.08 -0.04 2.03 2.17 2uv6A1 PRO 186 HD2 0.03 0.04 0.23 -0.04 3.68 3.94 2uv6A1 PRO 186 HD3 0.02 0.34 0.28 -0.04 3.65 4.26 2uv6A1 GLU 187 H -0.03 0.20 -0.16 -0.55 8.60 8.06 2uv6A1 GLU 187 HA -0.12 0.06 0.42 -0.75 4.29 3.89 2uv6A1 GLU 187 HB2 -0.32 0.03 0.05 -0.04 2.09 1.81 2uv6A1 GLU 187 HB3 -0.13 0.00 0.08 -0.04 1.99 1.90 2uv6A1 GLU 187 HG2 -0.33 0.01 -0.08 -0.04 2.34 1.90 2uv6A1 GLU 187 HG3 -0.35 0.04 -0.04 -0.04 2.34 1.96 2uv6A1 PHE 188 H 0.09 0.23 -0.37 -0.55 8.34 7.74 2uv6A1 PHE 188 HA -0.01 0.13 0.79 -0.75 4.62 4.78 2uv6A1 PHE 188 HB2 -0.03 0.06 0.08 -0.04 3.15 3.23 2uv6A1 PHE 188 HB3 -0.02 0.07 0.06 -0.04 3.06 3.13 2uv6A1 PHE 188 HD2 0.00 -0.05 0.01 -0.04 7.28 7.20 2uv6A1 PHE 188 HE2 0.01 -0.01 -0.02 -0.04 7.38 7.32 2uv6A1 PHE 188 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.24 2uv6A1 MET 189 H 0.04 0.38 -0.09 -0.55 8.47 8.25 2uv6A1 MET 189 HA 0.02 0.01 0.52 -0.75 4.52 4.31 2uv6A1 MET 189 HB2 -0.02 0.14 0.09 -0.04 2.15 2.33 2uv6A1 MET 189 HB3 -0.02 -0.13 0.02 -0.04 2.03 1.86 2uv6A1 MET 189 HG2 -0.04 0.19 -0.14 -0.04 2.63 2.60 2uv6A1 MET 189 HG3 -0.06 0.05 -0.13 -0.04 2.56 2.38 2uv6A1 MET 189 HE3 -0.06 0.00 -0.03 -0.04 2.10 1.97 2uv6A1 SER 190 H -0.02 0.35 -0.32 -0.55 8.46 7.92 2uv6A1 SER 190 HA -0.01 0.02 0.61 -0.75 4.49 4.37 2uv6A1 SER 190 HB2 -0.02 -0.06 0.10 -0.04 3.95 3.93 2uv6A1 SER 190 HB3 -0.02 -0.01 0.06 -0.04 3.93 3.92 2uv6A1 LYS 191 H 0.01 0.24 -0.46 -0.55 8.42 7.65 2uv6A1 LYS 191 HA 0.00 0.07 0.77 -0.75 4.32 4.40 2uv6A1 LYS 191 HB2 0.07 0.16 0.12 -0.04 1.87 2.19 2uv6A1 LYS 191 HB3 0.05 -0.01 0.02 -0.04 1.79 1.80 2uv6A1 LYS 191 HG2 -0.05 -0.08 0.02 -0.04 1.46 1.32 2uv6A1 LYS 191 HG3 -0.11 0.24 0.09 -0.04 1.46 1.65 2uv6A1 LYS 191 HD2 0.11 0.03 0.02 -0.04 1.69 1.80 2uv6A1 LYS 191 HD3 0.03 -0.02 -0.06 -0.04 1.68 1.59 2uv6A1 LYS 191 HE2 -0.62 0.08 -0.10 -0.04 2.99 2.31 2uv6A1 LYS 191 HE3 -0.26 0.00 -0.05 -0.04 2.99 2.64 2uv6A1 SER 192 H 0.03 0.08 0.14 -0.55 8.46 8.16 2uv6A1 SER 192 HA 0.03 0.26 0.45 -0.75 4.49 4.48 2uv6A1 SER 192 HB2 0.05 0.17 0.10 -0.04 3.95 4.23 2uv6A1 SER 192 HB3 0.05 0.10 0.03 -0.04 3.93 4.07 2uv6A1 LEU 193 H 0.03 0.53 0.17 -0.55 8.37 8.55 2uv6A1 LEU 193 HA 0.05 0.06 0.49 -0.75 4.35 4.20 2uv6A1 LEU 193 HB2 0.04 0.02 0.19 -0.04 1.64 1.85 2uv6A1 LEU 193 HB3 0.10 0.06 -0.05 -0.04 1.64 1.71 2uv6A1 LEU 193 HG 0.02 0.10 -0.04 -0.04 1.64 1.69 2uv6A1 LEU 193 HD13 0.04 0.02 -0.16 -0.04 0.93 0.79 2uv6A1 LEU 193 HD23 0.04 0.01 -0.08 -0.04 0.89 0.82 2uv6A1 GLU 194 H 0.03 0.54 0.05 -0.55 8.60 8.67 2uv6A1 GLU 194 HA -0.04 0.08 0.48 -0.75 4.29 4.05 2uv6A1 GLU 194 HB2 -0.00 -0.08 0.03 -0.04 2.09 2.00 2uv6A1 GLU 194 HB3 0.01 -0.04 0.01 -0.04 1.99 1.93 2uv6A1 GLU 194 HG2 -0.01 0.04 -0.19 -0.04 2.34 2.13 2uv6A1 GLU 194 HG3 -0.05 0.03 0.01 -0.04 2.34 2.28 2uv6A1 GLU 195 H 0.03 0.03 -0.28 -0.55 8.60 7.84 2uv6A1 GLU 195 HA 0.02 0.05 0.36 -0.75 4.29 3.96 2uv6A1 GLU 195 HB2 0.03 0.07 0.11 -0.04 2.09 2.27 2uv6A1 GLU 195 HB3 0.03 0.06 0.02 -0.04 1.99 2.05 2uv6A1 GLU 195 HG2 0.01 0.04 0.04 -0.04 2.34 2.38 2uv6A1 GLU 195 HG3 0.02 -0.09 0.05 -0.04 2.34 2.28 2uv6A1 LEU 196 H 0.05 0.39 -0.24 -0.55 8.37 8.03 2uv6A1 LEU 196 HA 0.10 0.10 0.44 -0.75 4.35 4.24 2uv6A1 LEU 196 HB2 0.07 -0.04 0.03 -0.04 1.64 1.66 2uv6A1 LEU 196 HB3 0.07 0.00 0.05 -0.04 1.64 1.71 2uv6A1 LEU 196 HG 0.11 -0.07 -0.09 -0.04 1.64 1.54 2uv6A1 LEU 196 HD13 0.08 0.03 -0.07 -0.04 0.93 0.93 2uv6A1 LEU 196 HD23 0.29 0.01 0.03 -0.04 0.89 1.19 2uv6A1 GLN 197 H 0.04 0.25 -0.56 -0.55 8.47 7.65 2uv6A1 GLN 197 HA 0.03 0.00 0.25 -0.75 4.36 3.90 2uv6A1 GLN 197 HB2 0.04 0.17 0.01 -0.04 2.15 2.33 2uv6A1 GLN 197 HB3 0.04 -0.10 0.16 -0.04 2.02 2.08 2uv6A1 GLN 197 HG2 0.01 0.05 -0.00 -0.04 2.40 2.42 2uv6A1 GLN 197 HG3 0.03 0.12 -0.26 -0.04 2.39 2.24 2uv6A1 GLN 197 HE21 0.01 -0.06 -0.00 -0.04 6.97 6.88 2uv6A1 GLN 197 HE22 0.00 -0.01 0.00 -0.04 7.69 7.64 2uv6A1 ILE 198 H 0.09 0.31 -0.08 -0.55 8.25 8.03 2uv6A1 ILE 198 HA 0.07 0.14 0.67 -0.75 4.18 4.31 2uv6A1 ILE 198 HB 0.07 -0.08 0.05 -0.04 1.89 1.89 2uv6A1 ILE 198 HG12 0.03 0.11 -0.09 -0.04 1.49 1.49 2uv6A1 ILE 198 HG13 0.05 0.10 -0.37 -0.04 1.21 0.95 2uv6A1 ILE 198 HG23 0.03 -0.02 -0.28 -0.04 0.93 0.62 2uv6A1 ILE 198 HD13 0.03 -0.01 -0.05 -0.04 0.88 0.81 2uv6A1 GLY 199 H 0.05 0.20 0.19 -0.55 8.43 8.33 2uv6A1 GLY 199 HA2 -0.09 -0.10 0.43 -0.51 4.01 3.74 2uv6A1 GLY 199 HA3 -0.17 0.16 0.77 -0.51 4.01 4.26 2uv6A1 THR 200 H -0.36 0.71 0.42 -0.55 8.28 8.49 2uv6A1 THR 200 HA -0.11 0.19 0.99 -0.75 4.39 4.70 2uv6A1 THR 200 HB -0.14 -0.07 0.21 -0.04 4.32 4.29 2uv6A1 THR 200 HG23 -0.04 -0.00 -0.00 -0.04 1.22 1.14 2uv6A1 TYR 201 H 0.05 0.17 0.16 -0.55 8.29 8.12 2uv6A1 TYR 201 HA 0.02 0.23 0.95 -0.75 4.56 5.01 2uv6A1 TYR 201 HB2 0.02 0.01 0.00 -0.04 3.06 3.05 2uv6A1 TYR 201 HB3 0.02 0.04 0.16 -0.04 2.98 3.16 2uv6A1 TYR 201 HD2 0.02 0.14 -0.27 -0.04 7.15 7.00 2uv6A1 TYR 201 HE2 0.01 0.01 -0.44 -0.04 6.85 6.40 2uv6A1 ALA 202 H 0.03 0.20 0.10 -0.55 8.40 8.18 2uv6A1 ALA 202 HA 0.06 0.16 0.81 -0.75 4.34 4.61 2uv6A1 ALA 202 HB3 0.05 0.03 0.00 -0.04 1.41 1.45 2uv6A1 ASN 203 H 0.03 0.16 0.11 -0.55 8.53 8.29 2uv6A1 ASN 203 HA 0.03 0.05 0.27 -0.75 4.76 4.36 2uv6A1 ASN 203 HB2 0.05 0.14 -0.24 -0.04 2.88 2.78 2uv6A1 ASN 203 HB3 0.07 0.03 0.12 -0.04 2.79 2.96 2uv6A1 ASN 203 HD21 0.03 0.01 -0.03 -0.04 7.03 7.00 2uv6A1 ASN 203 HD22 0.04 0.04 -0.06 -0.04 7.74 7.72 2uv6A1 ILE 204 H 0.02 0.03 -0.25 -0.55 8.25 7.50 2uv6A1 ILE 204 HA 0.03 0.07 0.43 -0.75 4.18 3.95 2uv6A1 ILE 204 HB 0.01 -0.02 -0.09 -0.04 1.89 1.74 2uv6A1 ILE 204 HG12 0.00 -0.08 -0.44 -0.04 1.49 0.93 2uv6A1 ILE 204 HG13 -0.01 0.02 -0.27 -0.04 1.21 0.91 2uv6A1 ILE 204 HG23 0.00 0.00 -0.24 -0.04 0.93 0.66 2uv6A1 ILE 204 HD13 -0.06 0.05 -0.17 -0.04 0.88 0.66 2uv6A1 ALA 205 H 0.05 0.15 0.22 -0.55 8.40 8.27 2uv6A1 ALA 205 HA -0.06 0.09 0.70 -0.75 4.34 4.32 2uv6A1 ALA 205 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 2uv6A1 MET 206 H -0.05 0.30 0.20 -0.55 8.47 8.36 2uv6A1 MET 206 HA -0.02 0.08 0.60 -0.75 4.52 4.43 2uv6A1 MET 206 HB2 -0.01 0.08 0.05 -0.04 2.15 2.23 2uv6A1 MET 206 HB3 -0.00 0.02 -0.17 -0.04 2.03 1.84 2uv6A1 MET 206 HG2 -0.02 0.02 -0.14 -0.04 2.63 2.45 2uv6A1 MET 206 HG3 -0.03 -0.02 -0.25 -0.04 2.56 2.23 2uv6A1 MET 206 HE3 0.00 0.03 -0.21 -0.04 2.10 1.89 2uv6A1 VAL 207 H -0.04 0.74 0.29 -0.55 8.24 8.68 2uv6A1 VAL 207 HA -0.08 0.16 0.84 -0.75 4.13 4.30 2uv6A1 VAL 207 HB -0.13 -0.09 0.14 -0.04 2.12 2.00 2uv6A1 VAL 207 HG13 -0.14 -0.00 -0.28 -0.04 0.97 0.51 2uv6A1 VAL 207 HG23 -0.10 0.02 -0.13 -0.04 0.95 0.69 2uv6A1 ARG 208 H -0.09 0.11 0.20 -0.55 8.46 8.13 2uv6A1 ARG 208 HA -0.05 0.36 0.93 -0.75 4.34 4.83 2uv6A1 ARG 208 HB2 -0.07 -0.05 0.08 -0.04 1.90 1.82 2uv6A1 ARG 208 HB3 -0.05 -0.11 0.11 -0.04 1.80 1.70 2uv6A1 ARG 208 HG2 -0.05 -0.00 -0.16 -0.04 1.67 1.42 2uv6A1 ARG 208 HG3 -0.05 0.03 -0.02 -0.04 1.67 1.59 2uv6A1 ARG 208 HD2 -0.03 0.06 -0.11 -0.04 3.22 3.10 2uv6A1 ARG 208 HD3 -0.03 0.03 -0.06 -0.04 3.22 3.12 2uv6A1 THR 209 H -0.05 0.52 0.22 -0.55 8.28 8.43 2uv6A1 THR 209 HA -0.06 0.06 0.49 -0.75 4.39 4.13 2uv6A1 THR 209 HB -0.04 0.03 0.03 -0.04 4.32 4.30 2uv6A1 THR 209 HG23 -0.04 0.03 -0.14 -0.04 1.22 1.03 2uv6A1 THR 210 H -0.06 0.06 -0.23 -0.55 8.28 7.51 2uv6A1 THR 210 HA -0.06 0.18 0.68 -0.75 4.39 4.43 2uv6A1 THR 210 HB -0.05 0.05 0.12 -0.04 4.32 4.40 2uv6A1 THR 210 HG23 -0.03 -0.00 -0.02 -0.04 1.22 1.12 2uv6A1 THR 211 H -0.11 0.29 -0.42 -0.55 8.28 7.49 2uv6A1 THR 211 HA -0.16 0.14 0.49 -0.75 4.39 4.10 2uv6A1 THR 211 HB -0.18 0.08 0.16 -0.04 4.32 4.34 2uv6A1 THR 211 HG23 -0.22 0.06 -0.06 -0.04 1.22 0.97 2uv6A1 PRO 212 HA -0.23 0.23 0.71 -0.51 4.44 4.64 2uv6A1 PRO 212 HB2 -1.10 -0.09 0.08 -0.04 2.28 1.12 2uv6A1 PRO 212 HB3 -0.29 0.13 0.05 -0.04 2.02 1.87 2uv6A1 PRO 212 HG2 -1.15 -0.03 0.10 -0.04 2.03 0.91 2uv6A1 PRO 212 HG3 -0.29 0.12 0.10 -0.04 2.03 1.92 2uv6A1 PRO 212 HD2 -0.34 0.01 0.25 -0.04 3.68 3.56 2uv6A1 PRO 212 HD3 -0.21 0.31 0.31 -0.04 3.65 4.02 2uv6A1 VAL 213 H -0.16 0.80 0.25 -0.55 8.24 8.58 2uv6A1 VAL 213 HA -0.25 -0.02 0.38 -0.75 4.13 3.48 2uv6A1 VAL 213 HB -0.00 0.09 0.14 -0.04 2.12 2.31 2uv6A1 VAL 213 HG13 0.12 -0.01 -0.10 -0.04 0.97 0.93 2uv6A1 VAL 213 HG23 -0.08 0.04 -0.18 -0.04 0.95 0.68 2uv6A1 TYR 214 H -0.04 0.47 -0.03 -0.55 8.29 8.13 2uv6A1 TYR 214 HA -0.01 0.04 0.46 -0.75 4.56 4.30 2uv6A1 TYR 214 HB2 -0.01 0.03 0.03 -0.04 3.06 3.06 2uv6A1 TYR 214 HB3 -0.01 -0.03 0.08 -0.04 2.98 2.98 2uv6A1 TYR 214 HD2 -0.02 0.03 -0.35 -0.04 7.15 6.77 2uv6A1 TYR 214 HE2 -0.02 0.01 -0.03 -0.04 6.85 6.77 2uv6A1 VAL 215 H -0.48 0.24 -0.33 -0.55 8.24 7.12 2uv6A1 VAL 215 HA -0.00 0.06 0.51 -0.75 4.13 3.94 2uv6A1 VAL 215 HB -0.27 0.18 0.10 -0.04 2.12 2.09 2uv6A1 VAL 215 HG13 -0.12 -0.01 -0.11 -0.04 0.97 0.69 2uv6A1 VAL 215 HG23 -0.27 -0.01 0.05 -0.04 0.95 0.68 2uv6A1 ALA 216 H -0.21 0.31 -0.12 -0.55 8.40 7.83 2uv6A1 ALA 216 HA -0.32 0.04 0.38 -0.75 4.34 3.69 2uv6A1 ALA 216 HB3 -0.27 0.02 0.01 -0.04 1.41 1.12 2uv6A1 LEU 217 H 0.01 0.67 -0.07 -0.55 8.37 8.43 2uv6A1 LEU 217 HA 0.27 0.01 0.41 -0.75 4.35 4.28 2uv6A1 LEU 217 HB2 0.13 0.01 0.06 -0.04 1.64 1.80 2uv6A1 LEU 217 HB3 0.09 0.08 0.13 -0.04 1.64 1.91 2uv6A1 LEU 217 HG 0.09 0.02 -0.16 -0.04 1.64 1.55 2uv6A1 LEU 217 HD13 0.14 -0.01 0.01 -0.04 0.93 1.03 2uv6A1 LEU 217 HD23 0.07 -0.00 -0.04 -0.04 0.89 0.88 2uv6A1 GLY 218 H 0.04 0.51 -0.17 -0.55 8.43 8.25 2uv6A1 GLY 218 HA2 0.05 0.01 0.43 -0.51 4.01 3.99 2uv6A1 GLY 218 HA3 0.03 0.08 0.31 -0.51 4.01 3.92 2uv6A1 ILE 219 H -0.08 0.50 -0.13 -0.55 8.25 7.99 2uv6A1 ILE 219 HA 0.01 -0.00 0.49 -0.75 4.18 3.92 2uv6A1 ILE 219 HB -0.33 0.15 0.12 -0.04 1.89 1.80 2uv6A1 ILE 219 HG12 -0.12 -0.03 0.00 -0.04 1.49 1.31 2uv6A1 ILE 219 HG13 -0.11 0.14 0.07 -0.04 1.21 1.27 2uv6A1 ILE 219 HG23 -0.04 -0.02 -0.18 -0.04 0.93 0.66 2uv6A1 ILE 219 HD13 -0.18 -0.04 -0.13 -0.04 0.88 0.49 2uv6A1 PHE 220 H -0.13 0.65 -0.06 -0.55 8.34 8.25 2uv6A1 PHE 220 HA 0.06 0.03 0.38 -0.75 4.62 4.34 2uv6A1 PHE 220 HB2 0.05 0.07 0.16 -0.04 3.15 3.39 2uv6A1 PHE 220 HB3 0.04 -0.03 -0.00 -0.04 3.06 3.02 2uv6A1 PHE 220 HD2 0.07 0.13 -0.08 -0.04 7.28 7.36 2uv6A1 PHE 220 HE2 0.15 -0.07 -0.41 -0.04 7.38 7.00 2uv6A1 PHE 220 HZ 0.14 0.10 -0.44 -0.04 7.32 7.08 2uv6A1 VAL 221 H 0.16 0.49 -0.17 -0.55 8.24 8.17 2uv6A1 VAL 221 HA 0.09 0.06 0.47 -0.75 4.13 4.00 2uv6A1 VAL 221 HB 0.08 0.04 0.13 -0.04 2.12 2.33 2uv6A1 VAL 221 HG13 0.05 -0.01 -0.12 -0.04 0.97 0.84 2uv6A1 VAL 221 HG23 0.09 -0.01 0.01 -0.04 0.95 1.00 2uv6A1 GLN 222 H 0.08 0.54 0.04 -0.55 8.47 8.59 2uv6A1 GLN 222 HA 0.05 0.13 0.74 -0.75 4.36 4.53 2uv6A1 GLN 222 HB2 0.06 0.05 0.12 -0.04 2.15 2.35 2uv6A1 GLN 222 HB3 0.05 -0.05 0.04 -0.04 2.02 2.02 2uv6A1 GLN 222 HG2 0.05 0.02 0.08 -0.04 2.40 2.50 2uv6A1 GLN 222 HG3 0.04 -0.06 0.02 -0.04 2.39 2.34 2uv6A1 GLN 222 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.91 2uv6A1 GLN 222 HE22 0.03 -0.04 -0.04 -0.04 7.69 7.61 2uv6A1 HIS 223 H 0.15 0.40 0.15 -0.55 8.41 8.56 2uv6A1 HIS 223 HA 0.02 0.11 0.63 -0.75 4.63 4.63 2uv6A1 HIS 223 HB2 0.00 -0.08 0.08 -0.04 3.26 3.22 2uv6A1 HIS 223 HB3 0.01 0.05 0.07 -0.04 3.20 3.29 2uv6A1 HIS 223 HD2 0.01 -0.07 -0.12 -0.04 6.97 6.75 2uv6A1 HIS 223 HE1 0.01 -0.02 0.01 -0.04 7.75 7.70 2uv6A1 ARG 224 H 0.11 0.32 -0.10 -0.55 8.46 8.24 2uv6A1 ARG 224 HA 0.07 0.24 0.34 -0.75 4.34 4.23 2uv6A1 ARG 224 HB2 -0.07 0.09 0.01 -0.04 1.90 1.88 2uv6A1 ARG 224 HB3 -0.01 -0.09 0.07 -0.04 1.80 1.73 2uv6A1 ARG 224 HG2 0.02 -0.00 -0.64 -0.04 1.67 1.01 2uv6A1 ARG 224 HG3 -0.02 -0.00 -0.25 -0.04 1.67 1.36 2uv6A1 ARG 224 HD2 0.00 -0.11 -0.02 -0.04 3.22 3.05 2uv6A1 ARG 224 HD3 0.02 0.03 0.00 -0.04 3.22 3.23 2uv6A1 VAL 225 H 0.17 0.14 0.01 -0.55 8.24 8.01 2uv6A1 VAL 225 HA 0.05 0.19 0.78 -0.75 4.13 4.39 2uv6A1 VAL 225 HB 0.12 -0.08 0.12 -0.04 2.12 2.25 2uv6A1 VAL 225 HG13 0.05 0.04 -0.05 -0.04 0.97 0.96 2uv6A1 VAL 225 HG23 0.22 -0.01 -0.14 -0.04 0.95 0.98 2uv6A1 SER 226 H 0.08 0.13 0.14 -0.55 8.46 8.27 2uv6A1 SER 226 HA -0.02 0.17 0.43 -0.75 4.49 4.31 2uv6A1 SER 226 HB2 -0.02 -0.04 0.09 -0.04 3.95 3.94 2uv6A1 SER 226 HB3 0.01 0.07 0.05 -0.04 3.93 4.02 2uv6A1 ALA 227 H 0.18 0.24 -0.01 -0.55 8.40 8.27 2uv6A1 ALA 227 HA 0.30 0.18 0.71 -0.75 4.34 4.77 2uv6A1 ALA 227 HB3 0.06 -0.00 -0.20 -0.04 1.41 1.23 2uv6A1 LEU 228 H 0.24 0.54 0.17 -0.55 8.37 8.77 2uv6A1 LEU 228 HA 0.07 0.37 0.96 -0.75 4.35 5.00 2uv6A1 LEU 228 HB2 0.10 -0.10 0.08 -0.04 1.64 1.68 2uv6A1 LEU 228 HB3 -0.01 0.02 -0.09 -0.04 1.64 1.51 2uv6A1 LEU 228 HG 0.06 -0.07 -0.58 -0.04 1.64 1.01 2uv6A1 LEU 228 HD13 -0.50 -0.01 -0.14 -0.04 0.93 0.25 2uv6A1 LEU 228 HD23 -0.05 0.05 -0.25 -0.04 0.89 0.60 2uv6A1 PRO 229 HA 0.04 0.09 0.70 -0.51 4.44 4.76 2uv6A1 PRO 229 HB2 0.01 -0.01 0.05 -0.04 2.28 2.29 2uv6A1 PRO 229 HB3 0.02 0.03 0.07 -0.04 2.02 2.10 2uv6A1 PRO 229 HG2 0.01 0.06 0.01 -0.04 2.03 2.07 2uv6A1 PRO 229 HG3 0.01 0.01 0.04 -0.04 2.03 2.05 2uv6A1 PRO 229 HD2 0.02 0.42 0.37 -0.04 3.68 4.46 2uv6A1 PRO 229 HD3 0.04 0.13 0.05 -0.04 3.65 3.83 2uv6A1 VAL 230 H 0.05 0.66 0.31 -0.55 8.24 8.71 2uv6A1 VAL 230 HA -0.01 0.25 0.71 -0.75 4.13 4.33 2uv6A1 VAL 230 HB 0.04 -0.13 0.03 -0.04 2.12 2.02 2uv6A1 VAL 230 HG13 -0.02 0.01 -0.39 -0.04 0.97 0.53 2uv6A1 VAL 230 HG23 0.08 0.02 -0.26 -0.04 0.95 0.76 2uv6A1 VAL 231 H -0.02 0.56 0.28 -0.55 8.24 8.51 2uv6A1 VAL 231 HA -0.02 0.29 0.88 -0.75 4.13 4.52 2uv6A1 VAL 231 HB -0.01 -0.08 -0.33 -0.04 2.12 1.66 2uv6A1 VAL 231 HG13 -0.00 0.00 -0.33 -0.04 0.97 0.60 2uv6A1 VAL 231 HG23 -0.02 0.08 -0.09 -0.04 0.95 0.88 2uv6A1 ASP 232 H -0.03 0.63 0.26 -0.55 8.40 8.72 2uv6A1 ASP 232 HA -0.04 0.05 0.63 -0.75 4.63 4.52 2uv6A1 ASP 232 HB2 -0.04 -0.03 0.21 -0.04 2.71 2.81 2uv6A1 ASP 232 HB3 -0.06 0.11 0.10 -0.04 2.70 2.82 2uv6A1 GLU 233 H -0.03 0.18 0.18 -0.55 8.60 8.39 2uv6A1 GLU 233 HA -0.02 0.12 0.47 -0.75 4.29 4.11 2uv6A1 GLU 233 HB2 -0.01 0.08 0.11 -0.04 2.09 2.23 2uv6A1 GLU 233 HB3 -0.02 -0.00 0.15 -0.04 1.99 2.08 2uv6A1 GLU 233 HG2 -0.01 0.04 -0.08 -0.04 2.34 2.25 2uv6A1 GLU 233 HG3 -0.01 0.06 0.02 -0.04 2.34 2.37 2uv6A1 LYS 234 H -0.02 -0.03 -0.31 -0.55 8.42 7.51 2uv6A1 LYS 234 HA -0.00 0.22 0.68 -0.75 4.32 4.46 2uv6A1 LYS 234 HB2 -0.01 -0.07 -0.01 -0.04 1.87 1.74 2uv6A1 LYS 234 HB3 0.00 0.08 0.10 -0.04 1.79 1.93 2uv6A1 LYS 234 HG2 -0.01 -0.13 -0.03 -0.04 1.46 1.25 2uv6A1 LYS 234 HG3 -0.00 0.05 -0.00 -0.04 1.46 1.46 2uv6A1 LYS 234 HD2 -0.00 0.07 -0.10 -0.04 1.69 1.61 2uv6A1 LYS 234 HD3 -0.00 0.00 -0.06 -0.04 1.68 1.57 2uv6A1 LYS 234 HE2 0.00 0.01 0.02 -0.04 2.99 2.98 2uv6A1 LYS 234 HE3 0.00 0.03 -0.00 -0.04 2.99 2.98 2uv6A1 GLY 235 H -0.01 0.42 -0.33 -0.55 8.43 7.96 2uv6A1 GLY 235 HA2 -0.01 0.05 0.21 -0.51 4.01 3.76 2uv6A1 GLY 235 HA3 0.00 0.15 0.56 -0.51 4.01 4.21 2uv6A1 ARG 236 H -0.01 -0.11 -0.19 -0.55 8.46 7.60 2uv6A1 ARG 236 HA 0.01 0.33 0.63 -0.75 4.34 4.57 2uv6A1 ARG 236 HB2 -0.01 -0.18 -0.00 -0.04 1.90 1.67 2uv6A1 ARG 236 HB3 0.01 0.12 -0.01 -0.04 1.80 1.88 2uv6A1 ARG 236 HG2 0.02 0.24 -0.17 -0.04 1.67 1.72 2uv6A1 ARG 236 HG3 0.00 -0.15 -0.20 -0.04 1.67 1.28 2uv6A1 ARG 236 HD2 0.01 -0.11 -0.04 -0.04 3.22 3.03 2uv6A1 ARG 236 HD3 0.03 0.04 -0.06 -0.04 3.22 3.19 2uv6A1 VAL 237 H 0.02 0.62 0.30 -0.55 8.24 8.63 2uv6A1 VAL 237 HA 0.00 0.11 0.45 -0.75 4.13 3.94 2uv6A1 VAL 237 HB 0.03 -0.01 0.11 -0.04 2.12 2.21 2uv6A1 VAL 237 HG13 0.03 -0.03 -0.04 -0.04 0.97 0.89 2uv6A1 VAL 237 HG23 0.02 0.05 -0.01 -0.04 0.95 0.96 2uv6A1 VAL 238 H -0.01 0.64 0.50 -0.55 8.24 8.82 2uv6A1 VAL 238 HA -0.14 0.20 0.93 -0.75 4.13 4.37 2uv6A1 VAL 238 HB -0.20 -0.02 0.12 -0.04 2.12 1.98 2uv6A1 VAL 238 HG13 -0.15 0.03 -0.13 -0.04 0.97 0.68 2uv6A1 VAL 238 HG23 -0.05 0.01 -0.15 -0.04 0.95 0.72 2uv6A1 ASP 239 H 0.03 0.37 0.33 -0.55 8.40 8.59 2uv6A1 ASP 239 HA 0.14 0.02 0.47 -0.75 4.63 4.51 2uv6A1 ASP 239 HB2 0.05 0.08 -0.27 -0.04 2.71 2.53 2uv6A1 ASP 239 HB3 0.10 -0.04 -0.12 -0.04 2.70 2.60 2uv6A1 ILE 240 H 0.24 0.24 0.16 -0.55 8.25 8.34 2uv6A1 ILE 240 HA 0.11 0.18 0.59 -0.75 4.18 4.31 2uv6A1 ILE 240 HB 0.03 0.01 0.07 -0.04 1.89 1.96 2uv6A1 ILE 240 HG12 0.03 -0.00 -0.10 -0.04 1.49 1.37 2uv6A1 ILE 240 HG13 0.04 -0.04 -0.23 -0.04 1.21 0.94 2uv6A1 ILE 240 HG23 0.06 -0.02 -0.38 -0.04 0.93 0.56 2uv6A1 ILE 240 HD13 -0.06 0.01 -0.09 -0.04 0.88 0.70 2uv6A1 TYR 241 H 0.23 0.81 0.16 -0.55 8.29 8.94 2uv6A1 TYR 241 HA 0.14 0.12 0.89 -0.75 4.56 4.95 2uv6A1 TYR 241 HB2 0.06 -0.02 -0.04 -0.04 3.06 3.02 2uv6A1 TYR 241 HB3 0.09 0.01 0.09 -0.04 2.98 3.12 2uv6A1 TYR 241 HD2 0.15 0.02 -0.10 -0.04 7.15 7.18 2uv6A1 TYR 241 HE2 0.14 0.01 -0.03 -0.04 6.85 6.93 2uv6A1 SER 242 H -0.22 0.13 0.20 -0.55 8.46 8.03 2uv6A1 SER 242 HA 0.08 0.30 1.02 -0.75 4.49 5.14 2uv6A1 SER 242 HB2 -0.11 0.07 0.23 -0.04 3.95 4.10 2uv6A1 SER 242 HB3 -0.02 0.06 -0.02 -0.04 3.93 3.91 2uv6A1 LYS 243 H -0.44 0.44 0.25 -0.55 8.42 8.12 2uv6A1 LYS 243 HA -0.68 0.08 0.44 -0.75 4.32 3.41 2uv6A1 LYS 243 HB2 -0.29 -0.01 0.17 -0.04 1.87 1.70 2uv6A1 LYS 243 HB3 -0.29 0.03 0.05 -0.04 1.79 1.54 2uv6A1 LYS 243 HG2 -1.01 -0.00 0.04 -0.04 1.46 0.45 2uv6A1 LYS 243 HG3 -0.90 0.12 0.13 -0.04 1.46 0.77 2uv6A1 LYS 243 HD2 -0.20 -0.03 0.06 -0.04 1.69 1.48 2uv6A1 LYS 243 HD3 -0.19 -0.01 0.01 -0.04 1.68 1.45 2uv6A1 LYS 243 HE2 -0.08 0.02 -0.02 -0.04 2.99 2.87 2uv6A1 LYS 243 HE3 -0.10 0.12 -0.02 -0.04 2.99 2.95 2uv6A1 PHE 244 H -0.07 0.10 -0.11 -0.55 8.34 7.71 2uv6A1 PHE 244 HA -0.16 0.11 0.47 -0.75 4.62 4.29 2uv6A1 PHE 244 HB2 -0.18 0.05 0.10 -0.04 3.15 3.07 2uv6A1 PHE 244 HB3 -0.17 -0.01 0.07 -0.04 3.06 2.90 2uv6A1 PHE 244 HD2 -0.11 -0.01 -0.07 -0.04 7.28 7.04 2uv6A1 PHE 244 HE2 -0.09 0.05 -0.03 -0.04 7.38 7.27 2uv6A1 PHE 244 HZ -0.09 0.05 -0.02 -0.04 7.32 7.23 2uv6A1 ASP 245 H -0.19 0.07 -0.29 -0.55 8.40 7.45 2uv6A1 ASP 245 HA -0.25 0.09 0.46 -0.75 4.63 4.18 2uv6A1 ASP 245 HB2 -0.92 0.25 0.19 -0.04 2.71 2.18 2uv6A1 ASP 245 HB3 -0.66 0.01 0.06 -0.04 2.70 2.07 2uv6A1 VAL 246 H -0.22 0.30 -0.27 -0.55 8.24 7.50 2uv6A1 VAL 246 HA 0.05 0.03 0.51 -0.75 4.13 3.97 2uv6A1 VAL 246 HB -0.04 0.19 0.14 -0.04 2.12 2.36 2uv6A1 VAL 246 HG13 0.06 -0.01 -0.12 -0.04 0.97 0.87 2uv6A1 VAL 246 HG23 0.32 0.01 -0.01 -0.04 0.95 1.23 2uv6A1 ILE 247 H -0.25 0.37 -0.05 -0.55 8.25 7.78 2uv6A1 ILE 247 HA -0.15 0.04 0.48 -0.75 4.18 3.80 2uv6A1 ILE 247 HB -0.48 0.06 0.18 -0.04 1.89 1.60 2uv6A1 ILE 247 HG12 -0.15 0.15 0.07 -0.04 1.49 1.51 2uv6A1 ILE 247 HG13 -0.09 -0.01 0.01 -0.04 1.21 1.08 2uv6A1 ILE 247 HG23 -0.17 0.00 -0.07 -0.04 0.93 0.66 2uv6A1 ILE 247 HD13 -0.08 -0.01 -0.04 -0.04 0.88 0.71 2uv6A1 ASN 248 H -0.60 0.60 -0.12 -0.55 8.53 7.86 2uv6A1 ASN 248 HA -0.38 0.04 0.44 -0.75 4.76 4.11 2uv6A1 ASN 248 HB2 -0.83 0.12 0.12 -0.04 2.88 2.25 2uv6A1 ASN 248 HB3 -0.42 0.04 0.10 -0.04 2.79 2.46 2uv6A1 ASN 248 HD21 -0.39 0.03 -0.01 -0.04 7.03 6.63 2uv6A1 ASN 248 HD22 -0.32 -0.05 -0.01 -0.04 7.74 7.32 2uv6A1 LEU 249 H -0.14 0.49 -0.13 -0.55 8.37 8.04 2uv6A1 LEU 249 HA 0.03 -0.01 0.45 -0.75 4.35 4.07 2uv6A1 LEU 249 HB2 0.07 -0.02 0.13 -0.04 1.64 1.77 2uv6A1 LEU 249 HB3 0.01 0.16 0.19 -0.04 1.64 1.97 2uv6A1 LEU 249 HG 0.01 0.06 -0.25 -0.04 1.64 1.42 2uv6A1 LEU 249 HD13 0.05 -0.02 0.00 -0.04 0.93 0.92 2uv6A1 LEU 249 HD23 0.07 -0.03 -0.05 -0.04 0.89 0.85 2uv6A1 ALA 250 H -0.09 0.47 -0.20 -0.55 8.40 8.04 2uv6A1 ALA 250 HA -0.04 0.00 0.40 -0.75 4.34 3.94 2uv6A1 ALA 250 HB3 -0.06 -0.01 0.10 -0.04 1.41 1.40 2uv6A1 ALA 251 H -0.11 0.41 -0.23 -0.55 8.40 7.93 2uv6A1 ALA 251 HA -0.04 0.07 0.59 -0.75 4.34 4.21 2uv6A1 ALA 251 HB3 -0.07 -0.03 0.09 -0.04 1.41 1.35 2uv6A1 GLU 252 H -0.02 0.35 -0.39 -0.55 8.60 7.99 2uv6A1 GLU 252 HA 0.03 -0.10 0.43 -0.75 4.29 3.90 2uv6A1 GLU 252 HB2 0.02 0.23 0.15 -0.04 2.09 2.45 2uv6A1 GLU 252 HB3 0.04 -0.18 0.01 -0.04 1.99 1.82 2uv6A1 GLU 252 HG2 0.14 -0.08 0.03 -0.04 2.34 2.39 2uv6A1 GLU 252 HG3 0.08 0.24 0.09 -0.04 2.34 2.70 2uv6A1 LYS 253 H 0.03 0.02 0.23 -0.55 8.42 8.14 2uv6A1 LYS 253 HA 0.01 0.17 0.53 -0.75 4.32 4.27 2uv6A1 LYS 253 HB2 0.02 -0.07 0.10 -0.04 1.87 1.88 2uv6A1 LYS 253 HB3 0.02 -0.03 0.12 -0.04 1.79 1.86 2uv6A1 LYS 253 HG2 0.01 0.21 0.07 -0.04 1.46 1.72 2uv6A1 LYS 253 HG3 0.02 -0.05 0.10 -0.04 1.46 1.49 2uv6A1 LYS 253 HD2 0.01 -0.05 0.04 -0.04 1.69 1.65 2uv6A1 LYS 253 HD3 0.01 -0.00 0.04 -0.04 1.68 1.70 2uv6A1 LYS 253 HE2 0.01 -0.02 0.03 -0.04 2.99 2.98 2uv6A1 LYS 253 HE3 0.01 -0.05 0.02 -0.04 2.99 2.93 2uv6A1 THR 254 H 0.03 -0.05 -0.14 -0.55 8.28 7.58 2uv6A1 THR 254 HA 0.06 0.07 0.54 -0.75 4.39 4.32 2uv6A1 THR 254 HB 0.06 0.00 0.05 -0.04 4.32 4.39 2uv6A1 THR 254 HG23 0.03 -0.01 0.02 -0.04 1.22 1.22 2uv6A1 TYR 255 H 0.17 0.05 0.13 -0.55 8.29 8.09 2uv6A1 TYR 255 HA 0.01 0.17 0.47 -0.75 4.56 4.46 2uv6A1 TYR 255 HB2 0.01 0.02 0.10 -0.04 3.06 3.14 2uv6A1 TYR 255 HB3 0.01 -0.06 0.15 -0.04 2.98 3.03 2uv6A1 TYR 255 HD2 0.01 -0.02 -0.20 -0.04 7.15 6.90 2uv6A1 TYR 255 HE2 0.01 -0.06 -0.11 -0.04 6.85 6.65 2uv6A1 ASN 256 H -0.37 0.31 0.24 -0.55 8.53 8.16 2uv6A1 ASN 256 HA -0.01 0.12 0.91 -0.75 4.76 5.02 2uv6A1 ASN 256 HB2 -0.09 0.07 -0.00 -0.04 2.88 2.82 2uv6A1 ASN 256 HB3 -0.03 -0.02 0.10 -0.04 2.79 2.80 2uv6A1 ASN 256 HD21 0.02 -0.08 -0.10 -0.04 7.03 6.82 2uv6A1 ASN 256 HD22 -0.03 0.18 -0.03 -0.04 7.74 7.82 2uv6A1 ASN 257 H -0.00 0.12 0.15 -0.55 8.53 8.26 2uv6A1 ASN 257 HA -0.10 0.26 0.53 -0.75 4.76 4.69 2uv6A1 ASN 257 HB2 0.03 -0.09 0.19 -0.04 2.88 2.97 2uv6A1 ASN 257 HB3 0.05 0.14 0.08 -0.04 2.79 3.02 2uv6A1 ASN 257 HD21 0.11 0.04 -0.04 -0.04 7.03 7.10 2uv6A1 ASN 257 HD22 0.21 0.07 -0.05 -0.04 7.74 7.93 2uv6A1 LEU 258 H 0.03 0.22 0.13 -0.55 8.37 8.20 2uv6A1 LEU 258 HA 0.07 0.19 0.52 -0.75 4.35 4.37 2uv6A1 LEU 258 HB2 0.08 0.05 0.13 -0.04 1.64 1.85 2uv6A1 LEU 258 HB3 0.24 -0.12 0.13 -0.04 1.64 1.86 2uv6A1 LEU 258 HG 0.03 0.05 -0.05 -0.04 1.64 1.63 2uv6A1 LEU 258 HD13 0.05 0.02 0.00 -0.04 0.93 0.97 2uv6A1 LEU 258 HD23 0.08 0.01 -0.10 -0.04 0.89 0.83 2uv6A1 ASP 259 H 0.10 0.06 -0.34 -0.55 8.40 7.68 2uv6A1 ASP 259 HA 0.23 0.10 0.66 -0.75 4.63 4.87 2uv6A1 ASP 259 HB2 0.13 -0.03 0.06 -0.04 2.71 2.84 2uv6A1 ASP 259 HB3 0.09 0.03 0.02 -0.04 2.70 2.80 2uv6A1 VAL 260 H 0.04 0.19 -0.46 -0.55 8.24 7.46 2uv6A1 VAL 260 HA 0.01 0.07 0.62 -0.75 4.13 4.08 2uv6A1 VAL 260 HB 0.02 0.02 0.13 -0.04 2.12 2.26 2uv6A1 VAL 260 HG13 0.02 0.02 -0.02 -0.04 0.97 0.94 2uv6A1 VAL 260 HG23 0.02 0.02 0.08 -0.04 0.95 1.03 2uv6A1 SER 261 H -0.03 0.12 0.15 -0.55 8.46 8.16 2uv6A1 SER 261 HA -0.12 0.20 0.62 -0.75 4.49 4.44 2uv6A1 SER 261 HB2 -0.04 -0.03 0.13 -0.04 3.95 3.97 2uv6A1 SER 261 HB3 -0.07 -0.23 0.04 -0.04 3.93 3.63 2uv6A1 VAL 262 H -0.21 0.75 0.21 -0.55 8.24 8.44 2uv6A1 VAL 262 HA -0.36 0.06 0.44 -0.75 4.13 3.51 2uv6A1 VAL 262 HB -0.60 -0.05 0.01 -0.04 2.12 1.44 2uv6A1 VAL 262 HG13 -0.67 0.04 -0.13 -0.04 0.97 0.17 2uv6A1 VAL 262 HG23 -0.16 0.03 -0.05 -0.04 0.95 0.73 2uv6A1 THR 263 H -0.06 0.18 -0.31 -0.55 8.28 7.54 2uv6A1 THR 263 HA 0.03 0.07 0.43 -0.75 4.39 4.17 2uv6A1 THR 263 HB -0.00 0.03 0.08 -0.04 4.32 4.38 2uv6A1 THR 263 HG23 -0.03 0.01 0.04 -0.04 1.22 1.20 2uv6A1 LYS 264 H 0.01 0.43 -0.40 -0.55 8.42 7.91 2uv6A1 LYS 264 HA 0.01 0.11 0.57 -0.75 4.32 4.26 2uv6A1 LYS 264 HB2 0.02 -0.00 0.11 -0.04 1.87 1.95 2uv6A1 LYS 264 HB3 0.05 0.05 -0.02 -0.04 1.79 1.83 2uv6A1 LYS 264 HG2 -0.01 0.00 0.10 -0.04 1.46 1.51 2uv6A1 LYS 264 HG3 0.00 -0.01 0.07 -0.04 1.46 1.48 2uv6A1 LYS 264 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 2uv6A1 LYS 264 HD3 0.02 -0.05 0.04 -0.04 1.68 1.65 2uv6A1 LYS 264 HE2 0.03 0.00 -0.00 -0.04 2.99 2.98 2uv6A1 LYS 264 HE3 0.04 0.00 -0.03 -0.04 2.99 2.96 2uv6A1 ALA 265 H 0.17 0.38 -0.27 -0.55 8.40 8.13 2uv6A1 ALA 265 HA 0.23 0.07 0.49 -0.75 4.34 4.38 2uv6A1 ALA 265 HB3 0.27 0.01 0.12 -0.04 1.41 1.77 2uv6A1 LEU 266 H 0.07 0.31 -0.46 -0.55 8.37 7.75 2uv6A1 LEU 266 HA 0.03 0.24 0.52 -0.75 4.35 4.38 2uv6A1 LEU 266 HB2 0.03 0.22 0.10 -0.04 1.64 1.95 2uv6A1 LEU 266 HB3 0.04 -0.04 0.13 -0.04 1.64 1.72 2uv6A1 LEU 266 HG 0.06 -0.09 0.08 -0.04 1.64 1.65 2uv6A1 LEU 266 HD13 0.01 -0.01 0.05 -0.04 0.93 0.95 2uv6A1 LEU 266 HD23 0.05 0.01 0.13 -0.04 0.89 1.03 2uv6A1 GLN 267 H -0.05 0.45 -0.47 -0.55 8.47 7.85 2uv6A1 GLN 267 HA -0.06 0.08 0.61 -0.75 4.36 4.23 2uv6A1 GLN 267 HB2 -0.14 -0.04 0.10 -0.04 2.15 2.03 2uv6A1 GLN 267 HB3 -0.11 -0.00 0.12 -0.04 2.02 1.99 2uv6A1 GLN 267 HG2 -0.59 0.07 0.04 -0.04 2.40 1.88 2uv6A1 GLN 267 HG3 -0.75 -0.00 -0.30 -0.04 2.39 1.30 2uv6A1 GLN 267 HE21 -0.07 -0.04 -0.02 -0.04 6.97 6.79 2uv6A1 GLN 267 HE22 -0.37 0.01 -0.06 -0.04 7.69 7.23 2uv6A1 HIS 268 H -0.02 0.37 -0.12 -0.55 8.41 8.09 2uv6A1 HIS 268 HA 0.02 0.12 0.58 -0.75 4.63 4.60 2uv6A1 HIS 268 HB2 0.02 0.12 0.13 -0.04 3.26 3.48 2uv6A1 HIS 268 HB3 0.04 -0.03 0.04 -0.04 3.20 3.21 2uv6A1 HIS 268 HD2 0.01 -0.03 0.06 -0.04 6.97 6.96 2uv6A1 HIS 268 HE1 -0.00 -0.00 -0.05 -0.04 7.75 7.65 2uv6A1 ARG 269 H 0.04 0.25 -0.10 -0.55 8.46 8.09 2uv6A1 ARG 269 HA 0.00 0.09 0.45 -0.75 4.34 4.14 2uv6A1 ARG 269 HB2 -0.11 0.00 0.01 -0.04 1.90 1.76 2uv6A1 ARG 269 HB3 0.01 0.18 -0.28 -0.04 1.80 1.67 2uv6A1 ARG 269 HG2 -0.50 -0.15 -0.28 -0.04 1.67 0.71 2uv6A1 ARG 269 HG3 -0.33 0.03 -0.10 -0.04 1.67 1.23 2uv6A1 ARG 269 HD2 0.07 0.03 -0.12 -0.04 3.22 3.16 2uv6A1 ARG 269 HD3 0.04 0.13 0.04 -0.04 3.22 3.39 2uv6A1 SER 270 H 0.00 0.26 0.03 -0.55 8.46 8.20 2uv6A1 SER 270 HA 0.02 0.16 0.89 -0.75 4.49 4.80 2uv6A1 SER 270 HB2 0.18 0.17 0.03 -0.04 3.95 4.29 2uv6A1 SER 270 HB3 0.19 0.06 0.16 -0.04 3.93 4.30 2uv6A1 HIS 271 H -0.19 0.22 -0.02 -0.55 8.41 7.88 2uv6A1 HIS 271 HA 0.05 0.18 0.38 -0.75 4.63 4.49 2uv6A1 HIS 271 HB2 0.07 -0.10 0.04 -0.04 3.26 3.23 2uv6A1 HIS 271 HB3 0.04 0.13 -0.28 -0.04 3.20 3.04 2uv6A1 HIS 271 HD2 0.06 -0.14 0.10 -0.04 6.97 6.95 2uv6A1 HIS 271 HE1 0.02 0.10 -0.03 -0.04 7.75 7.79 2uv6A1 TYR 272 H 0.22 0.14 -0.10 -0.55 8.29 8.00 2uv6A1 TYR 272 HA -0.04 0.01 0.32 -0.75 4.56 4.10 2uv6A1 TYR 272 HB2 -0.09 0.15 0.07 -0.04 3.06 3.15 2uv6A1 TYR 272 HB3 -0.18 -0.06 0.14 -0.04 2.98 2.84 2uv6A1 TYR 272 HD2 -0.84 -0.02 -0.04 -0.04 7.15 6.21 2uv6A1 TYR 272 HE2 -0.60 0.01 -0.02 -0.04 6.85 6.20 2uv6A1 PHE 273 H 0.23 0.08 -0.17 -0.55 8.34 7.93 2uv6A1 PHE 273 HA -0.15 0.08 0.31 -0.75 4.62 4.11 2uv6A1 PHE 273 HB2 0.08 -0.00 0.08 -0.04 3.15 3.27 2uv6A1 PHE 273 HB3 0.04 0.06 0.03 -0.04 3.06 3.14 2uv6A1 PHE 273 HD2 0.10 0.02 0.04 -0.04 7.28 7.40 2uv6A1 PHE 273 HE2 0.12 0.01 0.01 -0.04 7.38 7.47 2uv6A1 PHE 273 HZ 0.11 -0.01 0.00 -0.04 7.32 7.39 2uv6A1 GLU 274 H 0.12 0.25 -0.42 -0.55 8.60 8.00 2uv6A1 GLU 274 HA 0.06 0.12 0.63 -0.75 4.29 4.35 2uv6A1 GLU 274 HB2 0.10 -0.00 0.08 -0.04 2.09 2.22 2uv6A1 GLU 274 HB3 0.06 0.02 0.07 -0.04 1.99 2.10 2uv6A1 GLU 274 HG2 0.07 -0.00 -0.01 -0.04 2.34 2.35 2uv6A1 GLU 274 HG3 0.10 0.09 0.06 -0.04 2.34 2.54 2uv6A1 GLY 275 H -0.06 0.37 -0.38 -0.55 8.43 7.82 2uv6A1 GLY 275 HA2 -0.10 -0.03 0.33 -0.51 4.01 3.70 2uv6A1 GLY 275 HA3 -0.04 0.06 0.43 -0.51 4.01 3.95 2uv6A1 VAL 276 H 0.03 0.49 -0.09 -0.55 8.24 8.11 2uv6A1 VAL 276 HA -0.02 0.22 0.74 -0.75 4.13 4.31 2uv6A1 VAL 276 HB 0.01 -0.00 0.09 -0.04 2.12 2.17 2uv6A1 VAL 276 HG13 0.02 0.06 -0.27 -0.04 0.97 0.74 2uv6A1 VAL 276 HG23 0.14 -0.03 -0.07 -0.04 0.95 0.95 2uv6A1 LEU 277 H -0.03 0.08 -0.15 -0.55 8.37 7.72 2uv6A1 LEU 277 HA -0.03 0.15 0.73 -0.75 4.35 4.45 2uv6A1 LEU 277 HB2 0.12 -0.15 -0.45 -0.04 1.64 1.12 2uv6A1 LEU 277 HB3 0.01 0.05 -0.05 -0.04 1.64 1.62 2uv6A1 LEU 277 HG 0.04 0.04 -0.35 -0.04 1.64 1.34 2uv6A1 LEU 277 HD13 0.08 -0.01 -0.26 -0.04 0.93 0.70 2uv6A1 LEU 277 HD23 0.19 -0.02 -0.34 -0.04 0.89 0.67 2uv6A1 LYS 278 H -0.08 0.08 0.03 -0.55 8.42 7.90 2uv6A1 LYS 278 HA -0.09 0.25 0.86 -0.75 4.32 4.59 2uv6A1 LYS 278 HB2 -0.17 -0.01 -0.07 -0.04 1.87 1.58 2uv6A1 LYS 278 HB3 -0.20 0.05 0.06 -0.04 1.79 1.66 2uv6A1 LYS 278 HG2 -0.03 0.03 -0.14 -0.04 1.46 1.28 2uv6A1 LYS 278 HG3 -0.02 -0.16 -0.17 -0.04 1.46 1.06 2uv6A1 LYS 278 HD2 -0.05 0.00 -0.04 -0.04 1.69 1.55 2uv6A1 LYS 278 HD3 0.04 0.06 -0.02 -0.04 1.68 1.72 2uv6A1 LYS 278 HE2 -0.07 -0.07 -0.02 -0.04 2.99 2.79 2uv6A1 LYS 278 HE3 -0.09 0.02 -0.05 -0.04 2.99 2.83 2uv6A1 CYS 279 H -0.19 0.62 0.36 -0.55 8.50 8.74 2uv6A1 CYS 279 HA -0.31 0.12 0.43 -0.75 4.58 4.06 2uv6A1 CYS 279 HB2 -0.10 -0.03 0.08 -0.04 2.97 2.88 2uv6A1 CYS 279 HB3 -0.10 0.14 -0.26 -0.04 2.97 2.71 2uv6A1 TYR 280 H -0.15 0.20 0.16 -0.55 8.29 7.95 2uv6A1 TYR 280 HA -0.06 0.26 0.93 -0.75 4.56 4.94 2uv6A1 TYR 280 HB2 -0.73 -0.05 0.06 -0.04 3.06 2.30 2uv6A1 TYR 280 HB3 -0.33 -0.06 0.13 -0.04 2.98 2.69 2uv6A1 TYR 280 HD2 -0.04 0.13 0.02 -0.04 7.15 7.22 2uv6A1 TYR 280 HE2 0.04 0.08 -0.17 -0.04 6.85 6.76 2uv6A1 LEU 281 H 0.11 0.24 0.14 -0.55 8.37 8.31 2uv6A1 LEU 281 HA 0.04 0.12 0.45 -0.75 4.35 4.21 2uv6A1 LEU 281 HB2 0.06 -0.00 0.11 -0.04 1.64 1.78 2uv6A1 LEU 281 HB3 0.01 -0.01 0.02 -0.04 1.64 1.63 2uv6A1 LEU 281 HG 0.06 -0.03 -0.01 -0.04 1.64 1.63 2uv6A1 LEU 281 HD13 -0.06 0.02 -0.03 -0.04 0.93 0.82 2uv6A1 LEU 281 HD23 -0.14 0.02 -0.10 -0.04 0.89 0.63 2uv6A1 HIS 282 H -0.16 0.05 -0.22 -0.55 8.41 7.53 2uv6A1 HIS 282 HA 0.02 0.10 0.48 -0.75 4.63 4.48 2uv6A1 HIS 282 HB2 0.00 0.06 0.10 -0.04 3.26 3.38 2uv6A1 HIS 282 HB3 -0.00 -0.00 0.05 -0.04 3.20 3.20 2uv6A1 HIS 282 HD2 0.02 0.03 -0.23 -0.04 6.97 6.75 2uv6A1 HIS 282 HE1 -0.67 0.03 -0.02 -0.04 7.75 7.04 2uv6A1 GLU 283 H -0.17 0.23 -0.37 -0.55 8.60 7.75 2uv6A1 GLU 283 HA 0.04 0.08 0.55 -0.75 4.29 4.20 2uv6A1 GLU 283 HB2 -0.05 0.12 0.11 -0.04 2.09 2.23 2uv6A1 GLU 283 HB3 -0.01 0.03 0.04 -0.04 1.99 2.01 2uv6A1 GLU 283 HG2 0.02 0.06 -0.01 -0.04 2.34 2.37 2uv6A1 GLU 283 HG3 -0.21 -0.15 0.04 -0.04 2.34 1.97 2uv6A1 THR 284 H 0.03 0.05 0.15 -0.55 8.28 7.96 2uv6A1 THR 284 HA 0.02 0.24 0.19 -0.75 4.39 4.09 2uv6A1 THR 284 HB 0.01 0.30 0.10 -0.04 4.32 4.69 2uv6A1 THR 284 HG23 0.02 0.03 -0.04 -0.04 1.22 1.19 2uv6A1 LEU 285 H 0.02 0.71 0.19 -0.55 8.37 8.74 2uv6A1 LEU 285 HA 0.01 -0.02 0.48 -0.75 4.35 4.07 2uv6A1 LEU 285 HB2 0.04 0.11 0.11 -0.04 1.64 1.86 2uv6A1 LEU 285 HB3 0.02 0.06 0.22 -0.04 1.64 1.91 2uv6A1 LEU 285 HG -0.02 -0.09 -0.16 -0.04 1.64 1.34 2uv6A1 LEU 285 HD13 0.00 -0.03 -0.01 -0.04 0.93 0.86 2uv6A1 LEU 285 HD23 0.01 0.02 -0.19 -0.04 0.89 0.69 2uv6A1 GLU 286 H -0.00 0.58 0.03 -0.55 8.60 8.66 2uv6A1 GLU 286 HA -0.02 0.07 0.39 -0.75 4.29 3.98 2uv6A1 GLU 286 HB2 -0.02 0.03 0.07 -0.04 2.09 2.13 2uv6A1 GLU 286 HB3 -0.01 0.01 0.08 -0.04 1.99 2.03 2uv6A1 GLU 286 HG2 -0.01 -0.02 -0.35 -0.04 2.34 1.92 2uv6A1 GLU 286 HG3 -0.02 0.01 -0.03 -0.04 2.34 2.26 2uv6A1 THR 287 H 0.00 0.08 -0.23 -0.55 8.28 7.59 2uv6A1 THR 287 HA -0.00 0.07 0.48 -0.75 4.39 4.18 2uv6A1 THR 287 HB 0.00 0.12 0.08 -0.04 4.32 4.48 2uv6A1 THR 287 HG23 0.00 0.00 -0.13 -0.04 1.22 1.06 2uv6A1 ILE 288 H -0.01 0.56 -0.20 -0.55 8.25 8.06 2uv6A1 ILE 288 HA -0.02 0.01 0.35 -0.75 4.18 3.76 2uv6A1 ILE 288 HB -0.01 0.13 0.09 -0.04 1.89 2.06 2uv6A1 ILE 288 HG12 -0.01 0.27 -0.12 -0.04 1.49 1.59 2uv6A1 ILE 288 HG13 -0.00 -0.02 -0.12 -0.04 1.21 1.02 2uv6A1 ILE 288 HG23 -0.02 -0.02 -0.22 -0.04 0.93 0.63 2uv6A1 ILE 288 HD13 -0.03 -0.03 -0.10 -0.04 0.88 0.68 2uv6A1 ILE 289 H -0.02 0.79 -0.05 -0.55 8.25 8.43 2uv6A1 ILE 289 HA -0.03 -0.02 0.42 -0.75 4.18 3.80 2uv6A1 ILE 289 HB -0.03 0.08 0.13 -0.04 1.89 2.04 2uv6A1 ILE 289 HG12 -0.03 -0.07 -0.01 -0.04 1.49 1.34 2uv6A1 ILE 289 HG13 -0.02 0.06 0.03 -0.04 1.21 1.24 2uv6A1 ILE 289 HG23 -0.03 -0.01 -0.14 -0.04 0.93 0.71 2uv6A1 ILE 289 HD13 -0.06 -0.01 -0.10 -0.04 0.88 0.68 2uv6A1 ASN 290 H -0.02 0.57 -0.17 -0.55 8.53 8.36 2uv6A1 ASN 290 HA -0.01 0.00 0.43 -0.75 4.76 4.43 2uv6A1 ASN 290 HB2 -0.01 0.09 0.16 -0.04 2.88 3.08 2uv6A1 ASN 290 HB3 -0.01 -0.04 0.01 -0.04 2.79 2.71 2uv6A1 ASN 290 HD21 -0.01 -0.05 -0.04 -0.04 7.03 6.89 2uv6A1 ASN 290 HD22 -0.01 -0.05 -0.05 -0.04 7.74 7.59 2uv6A1 ARG 291 H -0.02 0.45 -0.26 -0.55 8.46 8.08 2uv6A1 ARG 291 HA -0.01 0.05 0.47 -0.75 4.34 4.10 2uv6A1 ARG 291 HB2 -0.02 0.03 0.12 -0.04 1.90 1.99 2uv6A1 ARG 291 HB3 -0.03 0.06 0.13 -0.04 1.80 1.92 2uv6A1 ARG 291 HG2 -0.03 -0.06 -0.18 -0.04 1.67 1.36 2uv6A1 ARG 291 HG3 -0.02 0.09 0.12 -0.04 1.67 1.81 2uv6A1 ARG 291 HD2 -0.05 -0.07 -0.08 -0.04 3.22 2.98 2uv6A1 ARG 291 HD3 -0.05 -0.04 -0.01 -0.04 3.22 3.08 2uv6A1 LEU 292 H -0.02 0.55 -0.07 -0.55 8.37 8.28 2uv6A1 LEU 292 HA -0.02 -0.03 0.40 -0.75 4.35 3.94 2uv6A1 LEU 292 HB2 -0.03 0.13 0.14 -0.04 1.64 1.84 2uv6A1 LEU 292 HB3 -0.04 0.06 -0.01 -0.04 1.64 1.61 2uv6A1 LEU 292 HG -0.03 0.14 -0.06 -0.04 1.64 1.65 2uv6A1 LEU 292 HD13 -0.04 -0.04 -0.18 -0.04 0.93 0.63 2uv6A1 LEU 292 HD23 -0.03 -0.01 -0.32 -0.04 0.89 0.49 2uv6A1 VAL 293 H -0.02 0.52 -0.21 -0.55 8.24 7.98 2uv6A1 VAL 293 HA -0.01 -0.01 0.43 -0.75 4.13 3.79 2uv6A1 VAL 293 HB -0.01 0.10 0.13 -0.04 2.12 2.30 2uv6A1 VAL 293 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.83 2uv6A1 VAL 293 HG23 -0.02 -0.00 0.00 -0.04 0.95 0.89 2uv6A1 GLU 294 H -0.01 0.59 -0.09 -0.55 8.60 8.54 2uv6A1 GLU 294 HA 0.00 -0.03 0.43 -0.75 4.29 3.94 2uv6A1 GLU 294 HB2 -0.00 0.19 0.23 -0.04 2.09 2.47 2uv6A1 GLU 294 HB3 0.01 0.06 0.07 -0.04 1.99 2.09 2uv6A1 GLU 294 HG2 0.01 -0.03 -0.06 -0.04 2.34 2.23 2uv6A1 GLU 294 HG3 0.01 -0.06 0.07 -0.04 2.34 2.31 2uv6A1 ALA 295 H 0.01 0.29 -0.24 -0.55 8.40 7.92 2uv6A1 ALA 295 HA 0.03 0.19 0.86 -0.75 4.34 4.67 2uv6A1 ALA 295 HB3 0.06 -0.02 0.01 -0.04 1.41 1.43 2uv6A1 GLU 296 H 0.01 0.27 -0.16 -0.55 8.60 8.17 2uv6A1 GLU 296 HA 0.01 0.05 0.36 -0.75 4.29 3.96 2uv6A1 GLU 296 HB2 -0.00 0.10 0.12 -0.04 2.09 2.27 2uv6A1 GLU 296 HB3 0.01 -0.10 0.16 -0.04 1.99 2.02 2uv6A1 GLU 296 HG2 -0.00 0.06 0.02 -0.04 2.34 2.37 2uv6A1 GLU 296 HG3 0.00 0.03 -0.31 -0.04 2.34 2.02 2uv6A1 VAL 297 H 0.01 0.50 0.09 -0.55 8.24 8.30 2uv6A1 VAL 297 HA 0.03 0.11 0.88 -0.75 4.13 4.40 2uv6A1 VAL 297 HB -0.14 -0.12 0.13 -0.04 2.12 1.95 2uv6A1 VAL 297 HG13 -0.05 0.02 -0.13 -0.04 0.97 0.76 2uv6A1 VAL 297 HG23 -0.05 0.06 -0.01 -0.04 0.95 0.90 2uv6A1 HIS 298 H 0.08 0.10 0.15 -0.55 8.41 8.19 2uv6A1 HIS 298 HA -0.05 0.24 0.70 -0.75 4.63 4.76 2uv6A1 HIS 298 HB2 -0.06 -0.02 0.08 -0.04 3.26 3.22 2uv6A1 HIS 298 HB3 -0.05 -0.11 0.16 -0.04 3.20 3.16 2uv6A1 HIS 298 HD2 -0.07 0.02 -0.52 -0.04 6.97 6.35 2uv6A1 HIS 298 HE1 -0.06 0.01 -0.02 -0.04 7.75 7.64 2uv6A1 GLN 299 H -0.02 0.22 -0.05 -0.55 8.47 8.08 2uv6A1 GLN 299 HA -0.02 0.25 0.63 -0.75 4.36 4.47 2uv6A1 GLN 299 HB2 -0.02 0.05 -0.03 -0.04 2.15 2.11 2uv6A1 GLN 299 HB3 0.01 -0.02 -0.12 -0.04 2.02 1.85 2uv6A1 GLN 299 HG2 -0.04 0.05 -0.23 -0.04 2.40 2.14 2uv6A1 GLN 299 HG3 0.00 -0.02 -0.23 -0.04 2.39 2.10 2uv6A1 GLN 299 HE21 0.02 0.02 -0.15 -0.04 6.97 6.82 2uv6A1 GLN 299 HE22 0.03 0.04 -0.22 -0.04 7.69 7.49 2uv6A1 LEU 300 H -0.04 0.54 0.27 -0.55 8.37 8.60 2uv6A1 LEU 300 HA -0.06 0.30 0.65 -0.75 4.35 4.48 2uv6A1 LEU 300 HB2 -0.05 -0.09 -0.17 -0.04 1.64 1.29 2uv6A1 LEU 300 HB3 -0.07 0.01 -0.36 -0.04 1.64 1.19 2uv6A1 LEU 300 HG -0.05 -0.08 -0.66 -0.04 1.64 0.81 2uv6A1 LEU 300 HD13 -0.05 -0.00 -0.22 -0.04 0.93 0.62 2uv6A1 LEU 300 HD23 -0.06 0.06 -0.45 -0.04 0.89 0.39 2uv6A1 VAL 301 H -0.04 0.69 0.29 -0.55 8.24 8.64 2uv6A1 VAL 301 HA -0.03 0.15 0.96 -0.75 4.13 4.45 2uv6A1 VAL 301 HB -0.02 -0.05 0.04 -0.04 2.12 2.05 2uv6A1 VAL 301 HG13 -0.00 0.03 -0.05 -0.04 0.97 0.91 2uv6A1 VAL 301 HG23 0.00 0.01 -0.01 -0.04 0.95 0.92 2uv6A1 VAL 302 H -0.02 0.46 0.05 -0.55 8.24 8.18 2uv6A1 VAL 302 HA -0.02 0.19 0.62 -0.75 4.13 4.16 2uv6A1 VAL 302 HB 0.15 -0.10 -0.03 -0.04 2.12 2.10 2uv6A1 VAL 302 HG13 0.17 0.01 -0.21 -0.04 0.97 0.89 2uv6A1 VAL 302 HG23 0.06 0.02 -0.31 -0.04 0.95 0.69 2uv6A1 VAL 303 H -0.05 0.62 0.35 -0.55 8.24 8.61 2uv6A1 VAL 303 HA 0.06 0.21 1.04 -0.75 4.13 4.70 2uv6A1 VAL 303 HB 0.06 -0.14 -0.09 -0.04 2.12 1.91 2uv6A1 VAL 303 HG13 -0.00 0.01 -0.38 -0.04 0.97 0.56 2uv6A1 VAL 303 HG23 -0.05 0.04 -0.05 -0.04 0.95 0.84 2uv6A1 ASP 304 H 0.10 0.40 0.17 -0.55 8.40 8.52 2uv6A1 ASP 304 HA 0.16 0.21 0.88 -0.75 4.63 5.12 2uv6A1 ASP 304 HB2 0.06 -0.05 0.20 -0.04 2.71 2.88 2uv6A1 ASP 304 HB3 0.08 0.13 0.05 -0.04 2.70 2.91 2uv6A1 GLU 305 H 0.06 0.19 0.15 -0.55 8.60 8.45 2uv6A1 GLU 305 HA 0.07 0.12 0.40 -0.75 4.29 4.13 2uv6A1 GLU 305 HB2 0.01 0.06 0.12 -0.04 2.09 2.24 2uv6A1 GLU 305 HB3 -0.00 0.01 0.14 -0.04 1.99 2.10 2uv6A1 GLU 305 HG2 0.03 0.03 -0.18 -0.04 2.34 2.17 2uv6A1 GLU 305 HG3 0.01 0.05 -0.02 -0.04 2.34 2.34 2uv6A1 ASN 306 H 0.07 -0.02 -0.41 -0.55 8.53 7.62 2uv6A1 ASN 306 HA 0.05 0.24 0.73 -0.75 4.76 5.03 2uv6A1 ASN 306 HB2 0.03 -0.01 -0.02 -0.04 2.88 2.84 2uv6A1 ASN 306 HB3 0.04 -0.04 -0.00 -0.04 2.79 2.74 2uv6A1 ASN 306 HD21 0.02 0.03 0.00 -0.04 7.03 7.04 2uv6A1 ASN 306 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 2uv6A1 ASP 307 H 0.11 0.44 -0.28 -0.55 8.40 8.12 2uv6A1 ASP 307 HA 0.08 0.08 0.25 -0.75 4.63 4.29 2uv6A1 ASP 307 HB2 0.05 0.13 0.03 -0.04 2.71 2.88 2uv6A1 ASP 307 HB3 0.06 -0.05 0.23 -0.04 2.70 2.90 2uv6A1 VAL 308 H 0.06 -0.10 -0.34 -0.55 8.24 7.31 2uv6A1 VAL 308 HA 0.03 0.32 0.71 -0.75 4.13 4.44 2uv6A1 VAL 308 HB 0.04 -0.17 -0.00 -0.04 2.12 1.94 2uv6A1 VAL 308 HG13 0.03 0.06 -0.07 -0.04 0.97 0.94 2uv6A1 VAL 308 HG23 0.02 0.06 -0.18 -0.04 0.95 0.81 2uv6A1 VAL 309 H 0.02 0.20 0.16 -0.55 8.24 8.08 2uv6A1 VAL 309 HA 0.03 0.08 0.37 -0.75 4.13 3.85 2uv6A1 VAL 309 HB 0.02 0.00 0.11 -0.04 2.12 2.21 2uv6A1 VAL 309 HG13 0.02 0.02 -0.17 -0.04 0.97 0.80 2uv6A1 VAL 309 HG23 0.01 0.00 0.00 -0.04 0.95 0.93 2uv6A1 LYS 310 H 0.07 0.73 0.49 -0.55 8.42 9.15 2uv6A1 LYS 310 HA 0.09 0.16 0.84 -0.75 4.32 4.66 2uv6A1 LYS 310 HB2 0.15 0.02 -0.17 -0.04 1.87 1.82 2uv6A1 LYS 310 HB3 0.18 -0.01 -0.07 -0.04 1.79 1.85 2uv6A1 LYS 310 HG2 0.08 0.03 -0.03 -0.04 1.46 1.49 2uv6A1 LYS 310 HG3 0.09 -0.03 -0.22 -0.04 1.46 1.27 2uv6A1 LYS 310 HD2 0.10 -0.09 -0.24 -0.04 1.69 1.42 2uv6A1 LYS 310 HD3 0.12 -0.00 -0.24 -0.04 1.68 1.51 2uv6A1 LYS 310 HE2 0.04 -0.05 -0.04 -0.04 2.99 2.90 2uv6A1 LYS 310 HE3 0.04 0.06 -0.05 -0.04 2.99 3.00 2uv6A1 GLY 311 H 0.05 0.38 0.35 -0.55 8.43 8.66 2uv6A1 GLY 311 HA2 -0.09 0.07 0.46 -0.51 4.01 3.94 2uv6A1 GLY 311 HA3 -0.28 0.10 0.48 -0.51 4.01 3.80 2uv6A1 ILE 312 H -0.34 0.63 0.42 -0.55 8.25 8.40 2uv6A1 ILE 312 HA -0.08 0.16 0.95 -0.75 4.18 4.45 2uv6A1 ILE 312 HB -0.05 0.04 -0.06 -0.04 1.89 1.79 2uv6A1 ILE 312 HG12 -0.04 -0.09 -0.24 -0.04 1.49 1.08 2uv6A1 ILE 312 HG13 -0.04 0.16 0.01 -0.04 1.21 1.30 2uv6A1 ILE 312 HG23 -0.07 -0.00 0.02 -0.04 0.93 0.83 2uv6A1 ILE 312 HD13 0.01 -0.01 -0.16 -0.04 0.88 0.68 2uv6A1 VAL 313 H -0.06 0.73 0.29 -0.55 8.24 8.65 2uv6A1 VAL 313 HA -0.07 0.06 0.88 -0.75 4.13 4.25 2uv6A1 VAL 313 HB -0.03 -0.02 0.04 -0.04 2.12 2.07 2uv6A1 VAL 313 HG13 -0.01 0.01 -0.23 -0.04 0.97 0.70 2uv6A1 VAL 313 HG23 -0.01 0.01 -0.25 -0.04 0.95 0.67 2uv6A1 SER 314 H -0.03 0.09 0.17 -0.55 8.46 8.15 2uv6A1 SER 314 HA -0.01 0.39 1.06 -0.75 4.49 5.18 2uv6A1 SER 314 HB2 0.00 0.07 0.19 -0.04 3.95 4.18 2uv6A1 SER 314 HB3 -0.01 0.01 -0.04 -0.04 3.93 3.85 2uv6A1 LEU 315 H -0.02 0.38 0.28 -0.55 8.37 8.46 2uv6A1 LEU 315 HA -0.04 0.11 0.42 -0.75 4.35 4.09 2uv6A1 LEU 315 HB2 -0.07 -0.04 0.12 -0.04 1.64 1.60 2uv6A1 LEU 315 HB3 -0.09 0.05 0.06 -0.04 1.64 1.62 2uv6A1 LEU 315 HG -0.12 0.09 0.24 -0.04 1.64 1.81 2uv6A1 LEU 315 HD13 -0.51 0.01 0.01 -0.04 0.93 0.40 2uv6A1 LEU 315 HD23 -0.12 0.03 -0.01 -0.04 0.89 0.76 2uv6A1 SER 316 H -0.02 0.09 -0.08 -0.55 8.46 7.90 2uv6A1 SER 316 HA -0.02 0.12 0.48 -0.75 4.49 4.32 2uv6A1 SER 316 HB2 -0.01 -0.08 0.05 -0.04 3.95 3.86 2uv6A1 SER 316 HB3 -0.01 0.09 -0.01 -0.04 3.93 3.96 2uv6A1 ASP 317 H -0.02 0.03 -0.28 -0.55 8.40 7.59 2uv6A1 ASP 317 HA -0.00 0.13 0.50 -0.75 4.63 4.50 2uv6A1 ASP 317 HB2 -0.02 0.09 0.13 -0.04 2.71 2.87 2uv6A1 ASP 317 HB3 0.00 -0.00 0.06 -0.04 2.70 2.71 2uv6A1 ILE 318 H -0.01 0.38 -0.11 -0.55 8.25 7.95 2uv6A1 ILE 318 HA -0.00 0.05 0.42 -0.75 4.18 3.90 2uv6A1 ILE 318 HB -0.02 0.10 0.14 -0.04 1.89 2.07 2uv6A1 ILE 318 HG12 -0.02 0.03 -0.08 -0.04 1.49 1.38 2uv6A1 ILE 318 HG13 -0.02 -0.01 -0.14 -0.04 1.21 1.00 2uv6A1 ILE 318 HG23 -0.01 0.00 -0.14 -0.04 0.93 0.75 2uv6A1 ILE 318 HD13 -0.01 -0.00 -0.12 -0.04 0.88 0.71 2uv6A1 LEU 319 H -0.01 0.53 -0.11 -0.55 8.37 8.23 2uv6A1 LEU 319 HA 0.03 0.03 0.38 -0.75 4.35 4.02 2uv6A1 LEU 319 HB2 -0.01 0.05 0.17 -0.04 1.64 1.81 2uv6A1 LEU 319 HB3 -0.00 0.01 -0.01 -0.04 1.64 1.60 2uv6A1 LEU 319 HG -0.01 0.13 0.02 -0.04 1.64 1.73 2uv6A1 LEU 319 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.79 2uv6A1 LEU 319 HD23 0.03 -0.00 -0.03 -0.04 0.89 0.84 2uv6A1 GLN 320 H -0.01 0.41 -0.14 -0.55 8.47 8.18 2uv6A1 GLN 320 HA -0.02 0.03 0.49 -0.75 4.36 4.11 2uv6A1 GLN 320 HB2 -0.01 0.08 0.16 -0.04 2.15 2.35 2uv6A1 GLN 320 HB3 -0.01 0.02 0.07 -0.04 2.02 2.05 2uv6A1 GLN 320 HG2 -0.01 -0.03 0.06 -0.04 2.40 2.38 2uv6A1 GLN 320 HG3 -0.01 0.16 0.12 -0.04 2.39 2.62 2uv6A1 GLN 320 HE21 0.00 -0.04 0.02 -0.04 6.97 6.92 2uv6A1 GLN 320 HE22 -0.00 0.05 0.04 -0.04 7.69 7.74 2uv6A1 ALA 321 H -0.01 0.27 -0.30 -0.55 8.40 7.80 2uv6A1 ALA 321 HA -0.07 0.12 0.62 -0.75 4.34 4.25 2uv6A1 ALA 321 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.44 2uv6A1 LEU 322 H -0.01 0.38 -0.09 -0.55 8.37 8.10 2uv6A1 LEU 322 HA -0.04 -0.01 0.56 -0.75 4.35 4.11 2uv6A1 LEU 322 HB2 0.09 0.04 0.11 -0.04 1.64 1.84 2uv6A1 LEU 322 HB3 0.29 -0.07 0.10 -0.04 1.64 1.92 2uv6A1 LEU 322 HG -0.00 0.10 -0.06 -0.04 1.64 1.63 2uv6A1 LEU 322 HD13 0.12 -0.04 -0.09 -0.04 0.93 0.87 2uv6A1 LEU 322 HD23 -0.21 -0.02 -0.02 -0.04 0.89 0.60 2uv6A1 VAL 323 H -0.04 0.18 -0.56 -0.55 8.24 7.27 2uv6A1 VAL 323 HA -0.01 0.02 0.70 -0.75 4.13 4.09 2uv6A1 VAL 323 HB -0.03 -0.11 0.05 -0.04 2.12 2.00 2uv6A1 VAL 323 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.84 2uv6A1 VAL 323 HG23 -0.04 -0.00 0.10 -0.04 0.95 0.97