============================================================================= 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 43.613 16.840 39.937 -99.200 -91.000 PHE 3 1.000 34.033 15.539 36.691 -99.200 -91.000 PHE 8 1.000 31.434 21.060 46.309 -99.200 -91.000 TYR 21 0.840 14.433 24.085 41.641 -99.200 -91.000 TYR 34 0.840 -2.525 20.714 17.286 -99.200 -91.000 PHE 40 1.000 9.554 20.059 22.433 -99.200 -91.000 HIS 43 0.900 8.928 29.300 26.480 -99.200 -91.000 TYR 61 0.840 6.203 14.787 22.984 -99.200 -91.000 PHE 64 1.000 15.259 10.182 19.926 -99.200 -91.000 TYR 75 0.840 -1.388 9.703 7.155 -99.200 -91.000 HIS 88 0.900 8.362 5.070 19.580 -99.200 -91.000 HIS 91 0.900 11.727 8.889 29.541 -99.200 -91.000 TYR 92 0.840 4.634 6.368 36.772 -99.200 -91.000 PHE 93 1.000 4.390 1.686 34.961 -99.200 -91.000 TYR 100 0.840 10.705 12.609 46.102 -99.200 -91.000 HIS 102 0.900 14.158 13.891 49.777 -99.200 -91.000 HIS 118 0.900 20.470 13.803 26.886 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2uv5A1 HIS -1 HA 0.06 -0.03 -0.24 -0.75 4.63 3.66 2uv5A1 HIS -1 HB2 0.05 -0.00 -0.02 -0.04 3.26 3.25 2uv5A1 HIS -1 HB3 0.03 -0.06 0.02 -0.04 3.20 3.15 2uv5A1 HIS -1 HD2 0.01 -0.01 0.01 -0.04 6.97 6.94 2uv5A1 HIS -1 HE1 0.02 -0.03 -0.01 -0.04 7.75 7.68 2uv5A1 GLU 182 HA 0.06 -0.03 -0.15 -0.75 4.29 3.41 2uv5A1 GLU 182 HB2 0.06 -0.04 0.08 -0.04 2.09 2.15 2uv5A1 GLU 182 HB3 0.05 -0.06 0.06 -0.04 1.99 2.00 2uv5A1 GLU 182 HG2 0.02 0.16 -0.33 -0.04 2.34 2.14 2uv5A1 GLU 182 HG3 0.03 -0.04 -0.02 -0.04 2.34 2.27 2uv5A1 PHE 183 H 0.12 0.10 0.11 -0.55 8.34 8.12 2uv5A1 PHE 183 HA -0.01 0.09 0.90 -0.75 4.62 4.85 2uv5A1 PHE 183 HB2 -0.07 0.11 0.06 -0.04 3.15 3.22 2uv5A1 PHE 183 HB3 -0.05 -0.06 0.14 -0.04 3.06 3.05 2uv5A1 PHE 183 HD2 -0.03 0.03 -0.04 -0.04 7.28 7.19 2uv5A1 PHE 183 HE2 -0.03 0.02 -0.03 -0.04 7.38 7.29 2uv5A1 PHE 183 HZ -0.03 -0.05 -0.04 -0.04 7.32 7.16 2uv5A1 PRO 184 HA -0.66 0.14 0.39 -0.51 4.44 3.79 2uv5A1 PRO 184 HB2 -0.29 0.03 -0.02 -0.04 2.28 1.96 2uv5A1 PRO 184 HB3 -0.85 0.03 0.07 -0.04 2.02 1.22 2uv5A1 PRO 184 HG2 -0.19 -0.02 -0.07 -0.04 2.03 1.70 2uv5A1 PRO 184 HG3 -0.29 -0.00 0.02 -0.04 2.03 1.71 2uv5A1 PRO 184 HD2 -0.17 0.07 0.27 -0.04 3.68 3.80 2uv5A1 PRO 184 HD3 -0.37 0.09 0.18 -0.04 3.65 3.50 2uv5A1 LYS 185 H -0.02 0.15 0.14 -0.55 8.42 8.13 2uv5A1 LYS 185 HA 0.06 0.29 0.49 -0.75 4.32 4.40 2uv5A1 LYS 185 HB2 0.35 -0.08 0.16 -0.04 1.87 2.26 2uv5A1 LYS 185 HB3 0.22 -0.12 0.06 -0.04 1.79 1.91 2uv5A1 LYS 185 HG2 0.12 0.27 0.06 -0.04 1.46 1.87 2uv5A1 LYS 185 HG3 0.11 0.04 0.12 -0.04 1.46 1.68 2uv5A1 LYS 185 HD2 0.25 -0.12 0.02 -0.04 1.69 1.80 2uv5A1 LYS 185 HD3 0.14 0.05 0.01 -0.04 1.68 1.84 2uv5A1 LYS 185 HE2 0.02 0.12 0.03 -0.04 2.99 3.11 2uv5A1 LYS 185 HE3 0.06 -0.07 0.02 -0.04 2.99 2.96 2uv5A1 PRO 186 HA -0.01 0.06 0.38 -0.51 4.44 4.36 2uv5A1 PRO 186 HB2 -0.01 0.00 0.01 -0.04 2.28 2.24 2uv5A1 PRO 186 HB3 -0.01 0.02 0.07 -0.04 2.02 2.05 2uv5A1 PRO 186 HG2 0.01 0.04 0.09 -0.04 2.03 2.13 2uv5A1 PRO 186 HG3 0.00 0.09 0.09 -0.04 2.03 2.16 2uv5A1 PRO 186 HD2 0.04 0.08 0.23 -0.04 3.68 3.98 2uv5A1 PRO 186 HD3 0.02 0.34 0.25 -0.04 3.65 4.23 2uv5A1 GLU 187 H -0.02 0.20 -0.18 -0.55 8.60 8.05 2uv5A1 GLU 187 HA -0.12 0.06 0.40 -0.75 4.29 3.88 2uv5A1 GLU 187 HB2 -0.34 0.03 0.05 -0.04 2.09 1.79 2uv5A1 GLU 187 HB3 -0.13 0.01 0.07 -0.04 1.99 1.89 2uv5A1 GLU 187 HG2 -0.31 0.00 -0.14 -0.04 2.34 1.86 2uv5A1 GLU 187 HG3 -0.36 0.05 -0.06 -0.04 2.34 1.92 2uv5A1 PHE 188 H 0.12 0.28 -0.40 -0.55 8.34 7.79 2uv5A1 PHE 188 HA -0.01 0.14 0.84 -0.75 4.62 4.84 2uv5A1 PHE 188 HB2 -0.03 0.06 0.07 -0.04 3.15 3.21 2uv5A1 PHE 188 HB3 -0.02 0.02 0.02 -0.04 3.06 3.04 2uv5A1 PHE 188 HD2 -0.00 -0.04 -0.03 -0.04 7.28 7.17 2uv5A1 PHE 188 HE2 0.01 0.00 -0.04 -0.04 7.38 7.31 2uv5A1 PHE 188 HZ 0.01 -0.01 -0.04 -0.04 7.32 7.25 2uv5A1 MET 189 H 0.05 0.42 -0.02 -0.55 8.47 8.37 2uv5A1 MET 189 HA 0.01 -0.01 0.48 -0.75 4.52 4.25 2uv5A1 MET 189 HB2 -0.01 0.12 0.12 -0.04 2.15 2.34 2uv5A1 MET 189 HB3 -0.02 -0.12 0.01 -0.04 2.03 1.86 2uv5A1 MET 189 HG2 -0.04 0.14 -0.15 -0.04 2.63 2.54 2uv5A1 MET 189 HG3 -0.06 0.05 -0.12 -0.04 2.56 2.39 2uv5A1 MET 189 HE3 -0.06 0.00 -0.02 -0.04 2.10 1.98 2uv5A1 SER 190 H -0.02 0.41 -0.26 -0.55 8.46 8.05 2uv5A1 SER 190 HA -0.01 0.00 0.52 -0.75 4.49 4.25 2uv5A1 SER 190 HB2 -0.02 -0.05 0.08 -0.04 3.95 3.91 2uv5A1 SER 190 HB3 -0.03 0.01 0.06 -0.04 3.93 3.94 2uv5A1 LYS 191 H 0.00 0.25 -0.49 -0.55 8.42 7.62 2uv5A1 LYS 191 HA -0.00 0.06 0.63 -0.75 4.32 4.25 2uv5A1 LYS 191 HB2 0.06 0.18 0.11 -0.04 1.87 2.18 2uv5A1 LYS 191 HB3 0.04 -0.04 0.05 -0.04 1.79 1.79 2uv5A1 LYS 191 HG2 -0.06 -0.08 0.03 -0.04 1.46 1.31 2uv5A1 LYS 191 HG3 -0.11 0.22 0.10 -0.04 1.46 1.62 2uv5A1 LYS 191 HD2 0.07 0.00 0.05 -0.04 1.69 1.77 2uv5A1 LYS 191 HD3 0.02 -0.03 -0.04 -0.04 1.68 1.59 2uv5A1 LYS 191 HE2 -0.69 0.15 -0.06 -0.04 2.99 2.35 2uv5A1 LYS 191 HE3 -0.33 -0.01 -0.04 -0.04 2.99 2.56 2uv5A1 SER 192 H 0.02 0.05 0.16 -0.55 8.46 8.15 2uv5A1 SER 192 HA 0.03 0.29 0.55 -0.75 4.49 4.60 2uv5A1 SER 192 HB2 0.05 0.13 0.08 -0.04 3.95 4.16 2uv5A1 SER 192 HB3 0.04 0.10 0.03 -0.04 3.93 4.06 2uv5A1 LEU 193 H 0.03 0.55 0.19 -0.55 8.37 8.60 2uv5A1 LEU 193 HA 0.05 0.05 0.49 -0.75 4.35 4.19 2uv5A1 LEU 193 HB2 0.04 0.02 0.21 -0.04 1.64 1.87 2uv5A1 LEU 193 HB3 0.09 0.07 -0.00 -0.04 1.64 1.76 2uv5A1 LEU 193 HG 0.02 0.14 -0.02 -0.04 1.64 1.74 2uv5A1 LEU 193 HD13 0.03 0.00 -0.18 -0.04 0.93 0.75 2uv5A1 LEU 193 HD23 0.04 0.00 -0.09 -0.04 0.89 0.80 2uv5A1 GLU 194 H 0.03 0.41 -0.04 -0.55 8.60 8.45 2uv5A1 GLU 194 HA -0.04 0.09 0.36 -0.75 4.29 3.95 2uv5A1 GLU 194 HB2 0.00 -0.06 0.01 -0.04 2.09 2.00 2uv5A1 GLU 194 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 2uv5A1 GLU 194 HG2 -0.02 0.03 -0.13 -0.04 2.34 2.19 2uv5A1 GLU 194 HG3 -0.06 0.04 0.01 -0.04 2.34 2.30 2uv5A1 GLU 195 H 0.02 -0.01 -0.21 -0.55 8.60 7.87 2uv5A1 GLU 195 HA 0.02 0.06 0.38 -0.75 4.29 3.99 2uv5A1 GLU 195 HB2 0.03 0.01 0.15 -0.04 2.09 2.25 2uv5A1 GLU 195 HB3 0.02 0.07 0.04 -0.04 1.99 2.09 2uv5A1 GLU 195 HG2 0.01 0.05 0.05 -0.04 2.34 2.41 2uv5A1 GLU 195 HG3 0.02 -0.09 0.07 -0.04 2.34 2.29 2uv5A1 LEU 196 H 0.05 0.42 -0.31 -0.55 8.37 7.98 2uv5A1 LEU 196 HA 0.09 0.12 0.44 -0.75 4.35 4.24 2uv5A1 LEU 196 HB2 0.06 0.00 0.04 -0.04 1.64 1.70 2uv5A1 LEU 196 HB3 0.07 -0.01 0.05 -0.04 1.64 1.71 2uv5A1 LEU 196 HG 0.10 -0.08 -0.10 -0.04 1.64 1.52 2uv5A1 LEU 196 HD13 0.11 0.03 -0.07 -0.04 0.93 0.96 2uv5A1 LEU 196 HD23 0.29 0.01 -0.03 -0.04 0.89 1.12 2uv5A1 GLN 197 H 0.03 0.24 -0.52 -0.55 8.47 7.68 2uv5A1 GLN 197 HA 0.02 -0.02 0.28 -0.75 4.36 3.89 2uv5A1 GLN 197 HB2 0.04 0.16 0.06 -0.04 2.15 2.37 2uv5A1 GLN 197 HB3 0.04 -0.10 0.18 -0.04 2.02 2.10 2uv5A1 GLN 197 HG2 0.00 0.02 0.02 -0.04 2.40 2.40 2uv5A1 GLN 197 HG3 0.02 0.12 -0.22 -0.04 2.39 2.27 2uv5A1 GLN 197 HE21 0.01 -0.06 0.01 -0.04 6.97 6.89 2uv5A1 GLN 197 HE22 -0.00 -0.02 0.01 -0.04 7.69 7.64 2uv5A1 ILE 198 H 0.08 0.30 -0.10 -0.55 8.25 7.98 2uv5A1 ILE 198 HA 0.08 0.15 0.67 -0.75 4.18 4.33 2uv5A1 ILE 198 HB 0.07 -0.08 0.05 -0.04 1.89 1.90 2uv5A1 ILE 198 HG12 0.03 0.11 -0.06 -0.04 1.49 1.53 2uv5A1 ILE 198 HG13 0.05 0.05 -0.29 -0.04 1.21 0.99 2uv5A1 ILE 198 HG23 0.04 -0.02 -0.31 -0.04 0.93 0.59 2uv5A1 ILE 198 HD13 0.04 -0.02 -0.06 -0.04 0.88 0.80 2uv5A1 GLY 199 H 0.06 0.16 0.17 -0.55 8.43 8.28 2uv5A1 GLY 199 HA2 -0.08 -0.06 0.49 -0.51 4.01 3.85 2uv5A1 GLY 199 HA3 -0.10 0.13 0.74 -0.51 4.01 4.27 2uv5A1 THR 200 H -0.40 0.62 0.41 -0.55 8.28 8.36 2uv5A1 THR 200 HA -0.11 0.20 0.97 -0.75 4.39 4.70 2uv5A1 THR 200 HB -0.15 -0.07 0.20 -0.04 4.32 4.26 2uv5A1 THR 200 HG23 -0.04 -0.00 0.00 -0.04 1.22 1.14 2uv5A1 TYR 201 H 0.05 0.16 0.16 -0.55 8.29 8.12 2uv5A1 TYR 201 HA 0.02 0.25 0.94 -0.75 4.56 5.01 2uv5A1 TYR 201 HB2 0.02 0.01 -0.01 -0.04 3.06 3.04 2uv5A1 TYR 201 HB3 0.02 0.04 0.15 -0.04 2.98 3.15 2uv5A1 TYR 201 HD2 0.02 0.15 -0.26 -0.04 7.15 7.02 2uv5A1 TYR 201 HE2 0.02 0.02 -0.44 -0.04 6.85 6.41 2uv5A1 ALA 202 H 0.03 0.15 0.10 -0.55 8.40 8.14 2uv5A1 ALA 202 HA 0.05 0.15 0.72 -0.75 4.34 4.52 2uv5A1 ALA 202 HB3 0.05 0.03 0.03 -0.04 1.41 1.48 2uv5A1 ASN 203 H 0.03 0.18 0.10 -0.55 8.53 8.30 2uv5A1 ASN 203 HA 0.03 0.05 0.27 -0.75 4.76 4.35 2uv5A1 ASN 203 HB2 0.04 0.16 -0.27 -0.04 2.88 2.78 2uv5A1 ASN 203 HB3 0.06 0.03 0.14 -0.04 2.79 2.98 2uv5A1 ASN 203 HD21 0.03 0.01 -0.03 -0.04 7.03 6.99 2uv5A1 ASN 203 HD22 0.03 0.04 -0.07 -0.04 7.74 7.71 2uv5A1 ILE 204 H 0.02 -0.01 -0.43 -0.55 8.25 7.29 2uv5A1 ILE 204 HA 0.02 0.05 0.37 -0.75 4.18 3.86 2uv5A1 ILE 204 HB 0.01 -0.03 -0.10 -0.04 1.89 1.73 2uv5A1 ILE 204 HG12 -0.01 -0.05 -0.29 -0.04 1.49 1.10 2uv5A1 ILE 204 HG13 -0.03 -0.04 -0.18 -0.04 1.21 0.91 2uv5A1 ILE 204 HG23 0.00 -0.01 -0.27 -0.04 0.93 0.61 2uv5A1 ILE 204 HD13 -0.05 0.05 -0.13 -0.04 0.88 0.71 2uv5A1 ALA 205 H 0.04 0.13 0.21 -0.55 8.40 8.24 2uv5A1 ALA 205 HA -0.04 0.13 0.76 -0.75 4.34 4.43 2uv5A1 ALA 205 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2uv5A1 MET 206 H -0.05 0.31 0.21 -0.55 8.47 8.40 2uv5A1 MET 206 HA -0.01 0.10 0.75 -0.75 4.52 4.60 2uv5A1 MET 206 HB2 -0.01 0.08 0.02 -0.04 2.15 2.20 2uv5A1 MET 206 HB3 -0.00 0.02 -0.24 -0.04 2.03 1.76 2uv5A1 MET 206 HG2 -0.02 0.01 -0.10 -0.04 2.63 2.48 2uv5A1 MET 206 HG3 -0.02 -0.02 -0.20 -0.04 2.56 2.27 2uv5A1 MET 206 HE3 -0.00 -0.01 -0.11 -0.04 2.10 1.94 2uv5A1 VAL 207 H -0.03 0.70 0.28 -0.55 8.24 8.64 2uv5A1 VAL 207 HA -0.07 0.19 0.83 -0.75 4.13 4.32 2uv5A1 VAL 207 HB -0.13 -0.12 0.17 -0.04 2.12 1.99 2uv5A1 VAL 207 HG13 -0.14 0.00 -0.24 -0.04 0.97 0.55 2uv5A1 VAL 207 HG23 -0.11 0.01 -0.13 -0.04 0.95 0.68 2uv5A1 ARG 208 H -0.09 0.12 0.19 -0.55 8.46 8.13 2uv5A1 ARG 208 HA -0.04 0.31 0.90 -0.75 4.34 4.75 2uv5A1 ARG 208 HB2 -0.07 -0.04 0.06 -0.04 1.90 1.82 2uv5A1 ARG 208 HB3 -0.05 -0.11 0.08 -0.04 1.80 1.68 2uv5A1 ARG 208 HG2 -0.04 -0.00 -0.18 -0.04 1.67 1.40 2uv5A1 ARG 208 HG3 -0.04 0.04 -0.04 -0.04 1.67 1.58 2uv5A1 ARG 208 HD2 -0.03 0.04 -0.12 -0.04 3.22 3.07 2uv5A1 ARG 208 HD3 -0.03 0.03 -0.07 -0.04 3.22 3.11 2uv5A1 THR 209 H -0.04 0.60 0.22 -0.55 8.28 8.51 2uv5A1 THR 209 HA -0.06 0.05 0.41 -0.75 4.39 4.04 2uv5A1 THR 209 HB -0.04 0.02 0.03 -0.04 4.32 4.28 2uv5A1 THR 209 HG23 -0.04 0.03 -0.16 -0.04 1.22 1.01 2uv5A1 THR 210 H -0.06 0.07 -0.33 -0.55 8.28 7.41 2uv5A1 THR 210 HA -0.06 0.15 0.61 -0.75 4.39 4.34 2uv5A1 THR 210 HB -0.05 0.05 0.12 -0.04 4.32 4.39 2uv5A1 THR 210 HG23 -0.04 -0.00 -0.02 -0.04 1.22 1.12 2uv5A1 THR 211 H -0.12 0.39 -0.40 -0.55 8.28 7.60 2uv5A1 THR 211 HA -0.16 0.16 0.55 -0.75 4.39 4.18 2uv5A1 THR 211 HB -0.19 0.06 0.16 -0.04 4.32 4.31 2uv5A1 THR 211 HG23 -0.22 0.06 -0.07 -0.04 1.22 0.95 2uv5A1 PRO 212 HA -0.24 0.20 0.52 -0.51 4.44 4.41 2uv5A1 PRO 212 HB2 -1.31 -0.14 0.05 -0.04 2.28 0.84 2uv5A1 PRO 212 HB3 -0.36 0.05 0.09 -0.04 2.02 1.76 2uv5A1 PRO 212 HG2 -0.83 0.01 0.10 -0.04 2.03 1.26 2uv5A1 PRO 212 HG3 -0.25 0.11 0.08 -0.04 2.03 1.93 2uv5A1 PRO 212 HD2 -0.30 0.03 0.25 -0.04 3.68 3.62 2uv5A1 PRO 212 HD3 -0.19 0.37 0.33 -0.04 3.65 4.12 2uv5A1 VAL 213 H -0.17 0.71 0.34 -0.55 8.24 8.57 2uv5A1 VAL 213 HA -0.23 -0.01 0.39 -0.75 4.13 3.53 2uv5A1 VAL 213 HB 0.00 0.07 0.21 -0.04 2.12 2.36 2uv5A1 VAL 213 HG13 0.13 -0.01 -0.06 -0.04 0.97 1.00 2uv5A1 VAL 213 HG23 -0.05 0.07 -0.08 -0.04 0.95 0.84 2uv5A1 TYR 214 H -0.14 0.39 -0.06 -0.55 8.29 7.93 2uv5A1 TYR 214 HA 0.00 0.05 0.34 -0.75 4.56 4.20 2uv5A1 TYR 214 HB2 -0.01 0.04 0.03 -0.04 3.06 3.08 2uv5A1 TYR 214 HB3 -0.01 -0.03 0.06 -0.04 2.98 2.96 2uv5A1 TYR 214 HD2 -0.02 0.01 -0.32 -0.04 7.15 6.78 2uv5A1 TYR 214 HE2 -0.02 0.01 -0.02 -0.04 6.85 6.78 2uv5A1 VAL 215 H -0.49 0.21 -0.31 -0.55 8.24 7.11 2uv5A1 VAL 215 HA 0.01 0.06 0.47 -0.75 4.13 3.92 2uv5A1 VAL 215 HB -0.27 0.16 0.10 -0.04 2.12 2.07 2uv5A1 VAL 215 HG13 -0.12 -0.00 -0.10 -0.04 0.97 0.70 2uv5A1 VAL 215 HG23 -0.22 -0.01 0.04 -0.04 0.95 0.72 2uv5A1 ALA 216 H -0.21 0.33 -0.12 -0.55 8.40 7.86 2uv5A1 ALA 216 HA -0.34 0.03 0.38 -0.75 4.34 3.65 2uv5A1 ALA 216 HB3 -0.24 0.02 0.02 -0.04 1.41 1.18 2uv5A1 LEU 217 H 0.01 0.68 -0.06 -0.55 8.37 8.46 2uv5A1 LEU 217 HA 0.26 0.00 0.41 -0.75 4.35 4.27 2uv5A1 LEU 217 HB2 0.13 0.00 0.06 -0.04 1.64 1.79 2uv5A1 LEU 217 HB3 0.10 0.11 0.10 -0.04 1.64 1.90 2uv5A1 LEU 217 HG 0.10 0.01 -0.16 -0.04 1.64 1.55 2uv5A1 LEU 217 HD13 0.14 -0.01 0.02 -0.04 0.93 1.04 2uv5A1 LEU 217 HD23 0.08 -0.00 -0.04 -0.04 0.89 0.89 2uv5A1 GLY 218 H 0.03 0.50 -0.19 -0.55 8.43 8.23 2uv5A1 GLY 218 HA2 0.05 0.01 0.44 -0.51 4.01 4.01 2uv5A1 GLY 218 HA3 0.04 0.06 0.32 -0.51 4.01 3.91 2uv5A1 ILE 219 H -0.08 0.51 -0.13 -0.55 8.25 8.00 2uv5A1 ILE 219 HA 0.02 0.02 0.42 -0.75 4.18 3.89 2uv5A1 ILE 219 HB -0.11 0.02 0.07 -0.04 1.89 1.83 2uv5A1 ILE 219 HG12 0.01 -0.02 -0.11 -0.04 1.49 1.33 2uv5A1 ILE 219 HG13 -0.06 -0.01 0.04 -0.04 1.21 1.14 2uv5A1 ILE 219 HG23 -0.30 0.03 -0.00 -0.04 0.93 0.61 2uv5A1 ILE 219 HD13 -0.21 0.00 -0.05 -0.04 0.88 0.58 2uv5A1 PHE 220 H -0.13 0.67 -0.08 -0.55 8.34 8.24 2uv5A1 PHE 220 HA 0.07 0.02 0.38 -0.75 4.62 4.34 2uv5A1 PHE 220 HB2 0.05 0.08 0.14 -0.04 3.15 3.38 2uv5A1 PHE 220 HB3 0.04 -0.03 -0.01 -0.04 3.06 3.02 2uv5A1 PHE 220 HD2 0.07 0.11 -0.11 -0.04 7.28 7.32 2uv5A1 PHE 220 HE2 0.13 -0.07 -0.42 -0.04 7.38 6.98 2uv5A1 PHE 220 HZ 0.15 0.08 -0.43 -0.04 7.32 7.07 2uv5A1 VAL 221 H 0.17 0.46 -0.22 -0.55 8.24 8.11 2uv5A1 VAL 221 HA 0.10 0.04 0.41 -0.75 4.13 3.92 2uv5A1 VAL 221 HB 0.08 0.06 0.17 -0.04 2.12 2.38 2uv5A1 VAL 221 HG13 0.05 -0.01 -0.05 -0.04 0.97 0.92 2uv5A1 VAL 221 HG23 0.10 0.00 0.03 -0.04 0.95 1.05 2uv5A1 GLN 222 H 0.09 0.49 -0.01 -0.55 8.47 8.49 2uv5A1 GLN 222 HA 0.05 0.09 0.37 -0.75 4.36 4.12 2uv5A1 GLN 222 HB2 0.07 0.05 0.09 -0.04 2.15 2.32 2uv5A1 GLN 222 HB3 0.06 -0.04 0.02 -0.04 2.02 2.01 2uv5A1 GLN 222 HG2 0.05 0.04 0.09 -0.04 2.40 2.55 2uv5A1 GLN 222 HG3 0.04 -0.06 0.02 -0.04 2.39 2.34 2uv5A1 GLN 222 HE21 0.03 -0.01 -0.03 -0.04 6.97 6.92 2uv5A1 GLN 222 HE22 0.04 -0.03 -0.02 -0.04 7.69 7.64 2uv5A1 HIS 223 H 0.16 0.50 0.08 -0.55 8.41 8.61 2uv5A1 HIS 223 HA 0.02 0.14 0.72 -0.75 4.63 4.76 2uv5A1 HIS 223 HB2 0.01 -0.10 0.07 -0.04 3.26 3.20 2uv5A1 HIS 223 HB3 0.03 0.06 -0.02 -0.04 3.20 3.23 2uv5A1 HIS 223 HD2 0.01 -0.00 0.02 -0.04 6.97 6.96 2uv5A1 HIS 223 HE1 0.01 0.05 0.01 -0.04 7.75 7.78 2uv5A1 ARG 224 H 0.11 0.28 -0.24 -0.55 8.46 8.06 2uv5A1 ARG 224 HA 0.06 0.12 0.33 -0.75 4.34 4.09 2uv5A1 ARG 224 HB2 -0.08 0.13 0.08 -0.04 1.90 1.99 2uv5A1 ARG 224 HB3 -0.01 -0.09 0.09 -0.04 1.80 1.74 2uv5A1 ARG 224 HG2 0.01 0.05 -0.47 -0.04 1.67 1.21 2uv5A1 ARG 224 HG3 -0.03 -0.02 -0.17 -0.04 1.67 1.41 2uv5A1 ARG 224 HD2 -0.00 -0.09 -0.01 -0.04 3.22 3.08 2uv5A1 ARG 224 HD3 0.02 0.04 0.01 -0.04 3.22 3.25 2uv5A1 VAL 225 H 0.20 0.27 0.09 -0.55 8.24 8.25 2uv5A1 VAL 225 HA 0.08 0.19 0.75 -0.75 4.13 4.40 2uv5A1 VAL 225 HB 0.28 -0.09 -0.32 -0.04 2.12 1.95 2uv5A1 VAL 225 HG13 0.12 -0.01 0.08 -0.04 0.97 1.13 2uv5A1 VAL 225 HG23 0.27 0.04 -0.25 -0.04 0.95 0.96 2uv5A1 SER 226 H 0.08 0.13 0.13 -0.55 8.46 8.26 2uv5A1 SER 226 HA -0.07 0.27 0.97 -0.75 4.49 4.90 2uv5A1 SER 226 HB2 -0.05 -0.08 0.12 -0.04 3.95 3.90 2uv5A1 SER 226 HB3 -0.03 0.08 0.02 -0.04 3.93 3.96 2uv5A1 ALA 227 H 0.17 0.23 0.03 -0.55 8.40 8.29 2uv5A1 ALA 227 HA 0.31 0.22 0.75 -0.75 4.34 4.86 2uv5A1 ALA 227 HB3 0.05 -0.01 -0.19 -0.04 1.41 1.22 2uv5A1 LEU 228 H 0.24 0.58 0.21 -0.55 8.37 8.86 2uv5A1 LEU 228 HA 0.08 0.38 0.96 -0.75 4.35 5.02 2uv5A1 LEU 228 HB2 0.11 -0.09 0.11 -0.04 1.64 1.73 2uv5A1 LEU 228 HB3 0.00 0.01 -0.08 -0.04 1.64 1.54 2uv5A1 LEU 228 HG 0.14 -0.08 -0.45 -0.04 1.64 1.20 2uv5A1 LEU 228 HD13 -0.43 -0.01 -0.13 -0.04 0.93 0.32 2uv5A1 LEU 228 HD23 -0.03 0.05 -0.31 -0.04 0.89 0.56 2uv5A1 PRO 229 HA 0.05 0.09 0.69 -0.51 4.44 4.77 2uv5A1 PRO 229 HB2 0.01 -0.00 0.01 -0.04 2.28 2.26 2uv5A1 PRO 229 HB3 0.02 0.03 0.09 -0.04 2.02 2.12 2uv5A1 PRO 229 HG2 0.01 0.06 0.01 -0.04 2.03 2.06 2uv5A1 PRO 229 HG3 0.02 0.01 0.03 -0.04 2.03 2.05 2uv5A1 PRO 229 HD2 0.03 0.41 0.38 -0.04 3.68 4.45 2uv5A1 PRO 229 HD3 0.04 0.17 0.15 -0.04 3.65 3.97 2uv5A1 VAL 230 H 0.05 0.66 0.30 -0.55 8.24 8.69 2uv5A1 VAL 230 HA -0.01 0.23 0.67 -0.75 4.13 4.27 2uv5A1 VAL 230 HB 0.04 -0.13 -0.01 -0.04 2.12 1.99 2uv5A1 VAL 230 HG13 -0.02 0.00 -0.42 -0.04 0.97 0.49 2uv5A1 VAL 230 HG23 0.08 0.02 -0.28 -0.04 0.95 0.73 2uv5A1 VAL 231 H -0.02 0.57 0.31 -0.55 8.24 8.55 2uv5A1 VAL 231 HA -0.01 0.28 0.97 -0.75 4.13 4.62 2uv5A1 VAL 231 HB -0.01 -0.04 -0.29 -0.04 2.12 1.74 2uv5A1 VAL 231 HG13 0.00 -0.01 -0.35 -0.04 0.97 0.58 2uv5A1 VAL 231 HG23 -0.02 0.08 -0.07 -0.04 0.95 0.91 2uv5A1 ASP 232 H -0.02 0.58 0.23 -0.55 8.40 8.65 2uv5A1 ASP 232 HA -0.03 0.05 0.56 -0.75 4.63 4.45 2uv5A1 ASP 232 HB2 -0.03 -0.05 0.21 -0.04 2.71 2.79 2uv5A1 ASP 232 HB3 -0.05 0.10 0.09 -0.04 2.70 2.80 2uv5A1 GLU 233 H -0.02 0.18 0.18 -0.55 8.60 8.39 2uv5A1 GLU 233 HA -0.02 0.11 0.47 -0.75 4.29 4.11 2uv5A1 GLU 233 HB2 -0.01 0.08 0.11 -0.04 2.09 2.22 2uv5A1 GLU 233 HB3 -0.02 -0.01 0.15 -0.04 1.99 2.08 2uv5A1 GLU 233 HG2 -0.01 0.06 -0.10 -0.04 2.34 2.25 2uv5A1 GLU 233 HG3 -0.01 0.06 0.02 -0.04 2.34 2.37 2uv5A1 LYS 234 H -0.01 -0.02 -0.30 -0.55 8.42 7.54 2uv5A1 LYS 234 HA -0.00 0.24 0.66 -0.75 4.32 4.46 2uv5A1 LYS 234 HB2 -0.00 -0.06 0.03 -0.04 1.87 1.79 2uv5A1 LYS 234 HB3 0.01 0.08 0.13 -0.04 1.79 1.96 2uv5A1 LYS 234 HG2 -0.00 -0.11 -0.05 -0.04 1.46 1.26 2uv5A1 LYS 234 HG3 0.00 0.04 0.00 -0.04 1.46 1.47 2uv5A1 LYS 234 HD2 -0.00 0.07 -0.06 -0.04 1.69 1.66 2uv5A1 LYS 234 HD3 -0.00 0.00 -0.05 -0.04 1.68 1.60 2uv5A1 LYS 234 HE2 0.01 0.01 0.04 -0.04 2.99 3.00 2uv5A1 LYS 234 HE3 0.00 0.02 0.01 -0.04 2.99 2.98 2uv5A1 GLY 235 H -0.01 0.46 -0.42 -0.55 8.43 7.92 2uv5A1 GLY 235 HA2 -0.00 0.04 0.21 -0.51 4.01 3.75 2uv5A1 GLY 235 HA3 0.01 0.14 0.49 -0.51 4.01 4.13 2uv5A1 ARG 236 H 0.00 -0.10 -0.31 -0.55 8.46 7.49 2uv5A1 ARG 236 HA 0.02 0.27 0.47 -0.75 4.34 4.35 2uv5A1 ARG 236 HB2 0.00 -0.19 -0.01 -0.04 1.90 1.66 2uv5A1 ARG 236 HB3 0.03 0.13 -0.04 -0.04 1.80 1.88 2uv5A1 ARG 236 HG2 0.03 0.18 -0.17 -0.04 1.67 1.66 2uv5A1 ARG 236 HG3 0.01 -0.10 -0.18 -0.04 1.67 1.36 2uv5A1 ARG 236 HD2 0.02 -0.11 -0.04 -0.04 3.22 3.05 2uv5A1 ARG 236 HD3 0.04 0.07 -0.05 -0.04 3.22 3.24 2uv5A1 VAL 237 H 0.03 0.68 0.32 -0.55 8.24 8.72 2uv5A1 VAL 237 HA 0.02 0.07 0.45 -0.75 4.13 3.91 2uv5A1 VAL 237 HB 0.04 0.00 0.10 -0.04 2.12 2.22 2uv5A1 VAL 237 HG13 0.04 -0.04 -0.06 -0.04 0.97 0.87 2uv5A1 VAL 237 HG23 0.02 0.05 -0.01 -0.04 0.95 0.97 2uv5A1 VAL 238 H 0.01 0.65 0.51 -0.55 8.24 8.85 2uv5A1 VAL 238 HA -0.02 0.21 0.96 -0.75 4.13 4.52 2uv5A1 VAL 238 HB -0.22 -0.02 0.13 -0.04 2.12 1.96 2uv5A1 VAL 238 HG13 -0.11 0.03 -0.15 -0.04 0.97 0.69 2uv5A1 VAL 238 HG23 -0.05 0.01 -0.11 -0.04 0.95 0.76 2uv5A1 ASP 239 H 0.05 0.39 0.35 -0.55 8.40 8.64 2uv5A1 ASP 239 HA 0.14 0.04 0.55 -0.75 4.63 4.60 2uv5A1 ASP 239 HB2 0.05 0.09 -0.34 -0.04 2.71 2.47 2uv5A1 ASP 239 HB3 0.09 -0.05 -0.15 -0.04 2.70 2.56 2uv5A1 ILE 240 H 0.23 0.28 0.16 -0.55 8.25 8.37 2uv5A1 ILE 240 HA 0.11 0.18 0.58 -0.75 4.18 4.29 2uv5A1 ILE 240 HB 0.03 0.05 -0.06 -0.04 1.89 1.87 2uv5A1 ILE 240 HG12 0.04 -0.05 -0.31 -0.04 1.49 1.13 2uv5A1 ILE 240 HG13 0.08 0.02 -0.44 -0.04 1.21 0.82 2uv5A1 ILE 240 HG23 -0.08 0.00 -0.00 -0.04 0.93 0.81 2uv5A1 ILE 240 HD13 -0.00 0.02 -0.25 -0.04 0.88 0.61 2uv5A1 TYR 241 H 0.23 0.76 0.16 -0.55 8.29 8.89 2uv5A1 TYR 241 HA 0.14 0.13 0.90 -0.75 4.56 4.98 2uv5A1 TYR 241 HB2 0.07 -0.02 -0.08 -0.04 3.06 2.99 2uv5A1 TYR 241 HB3 0.09 0.03 0.10 -0.04 2.98 3.16 2uv5A1 TYR 241 HD2 0.14 0.02 -0.10 -0.04 7.15 7.16 2uv5A1 TYR 241 HE2 0.14 0.01 -0.01 -0.04 6.85 6.95 2uv5A1 SER 242 H -0.27 0.14 0.21 -0.55 8.46 7.99 2uv5A1 SER 242 HA 0.07 0.34 1.08 -0.75 4.49 5.22 2uv5A1 SER 242 HB2 -0.10 0.10 0.20 -0.04 3.95 4.11 2uv5A1 SER 242 HB3 -0.02 0.05 -0.06 -0.04 3.93 3.85 2uv5A1 LYS 243 H -0.49 0.55 0.30 -0.55 8.42 8.23 2uv5A1 LYS 243 HA -0.64 0.08 0.47 -0.75 4.32 3.47 2uv5A1 LYS 243 HB2 -0.28 -0.01 0.20 -0.04 1.87 1.74 2uv5A1 LYS 243 HB3 -0.27 0.03 0.07 -0.04 1.79 1.58 2uv5A1 LYS 243 HG2 -0.91 -0.01 0.07 -0.04 1.46 0.57 2uv5A1 LYS 243 HG3 -0.99 0.12 0.19 -0.04 1.46 0.74 2uv5A1 LYS 243 HD2 -0.19 -0.04 0.07 -0.04 1.69 1.49 2uv5A1 LYS 243 HD3 -0.17 -0.01 0.02 -0.04 1.68 1.48 2uv5A1 LYS 243 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.85 2uv5A1 LYS 243 HE3 -0.10 0.22 0.09 -0.04 2.99 3.15 2uv5A1 PHE 244 H -0.05 0.11 -0.11 -0.55 8.34 7.75 2uv5A1 PHE 244 HA -0.14 0.12 0.43 -0.75 4.62 4.27 2uv5A1 PHE 244 HB2 -0.14 0.05 0.10 -0.04 3.15 3.12 2uv5A1 PHE 244 HB3 -0.15 -0.02 0.07 -0.04 3.06 2.91 2uv5A1 PHE 244 HD2 -0.10 -0.01 -0.08 -0.04 7.28 7.05 2uv5A1 PHE 244 HE2 -0.09 0.05 -0.03 -0.04 7.38 7.26 2uv5A1 PHE 244 HZ -0.08 0.05 -0.02 -0.04 7.32 7.23 2uv5A1 ASP 245 H -0.17 0.04 -0.27 -0.55 8.40 7.46 2uv5A1 ASP 245 HA -0.24 0.08 0.43 -0.75 4.63 4.14 2uv5A1 ASP 245 HB2 -0.86 0.17 0.21 -0.04 2.71 2.19 2uv5A1 ASP 245 HB3 -0.51 0.02 0.09 -0.04 2.70 2.26 2uv5A1 VAL 246 H -0.23 0.34 -0.25 -0.55 8.24 7.55 2uv5A1 VAL 246 HA 0.04 0.02 0.43 -0.75 4.13 3.86 2uv5A1 VAL 246 HB -0.03 0.18 0.17 -0.04 2.12 2.40 2uv5A1 VAL 246 HG13 0.06 -0.00 -0.10 -0.04 0.97 0.89 2uv5A1 VAL 246 HG23 0.35 -0.00 -0.03 -0.04 0.95 1.23 2uv5A1 ILE 247 H -0.25 0.42 -0.04 -0.55 8.25 7.84 2uv5A1 ILE 247 HA -0.14 0.03 0.47 -0.75 4.18 3.78 2uv5A1 ILE 247 HB -0.45 0.06 0.16 -0.04 1.89 1.62 2uv5A1 ILE 247 HG12 -0.14 0.18 0.08 -0.04 1.49 1.57 2uv5A1 ILE 247 HG13 -0.08 -0.02 -0.00 -0.04 1.21 1.06 2uv5A1 ILE 247 HG23 -0.14 -0.00 -0.05 -0.04 0.93 0.70 2uv5A1 ILE 247 HD13 -0.07 -0.01 -0.03 -0.04 0.88 0.72 2uv5A1 ASN 248 H -0.65 0.65 -0.06 -0.55 8.53 7.92 2uv5A1 ASN 248 HA -0.39 0.03 0.49 -0.75 4.76 4.14 2uv5A1 ASN 248 HB2 -0.75 0.07 0.11 -0.04 2.88 2.27 2uv5A1 ASN 248 HB3 -0.40 0.04 0.07 -0.04 2.79 2.47 2uv5A1 ASN 248 HD21 -0.41 0.03 -0.01 -0.04 7.03 6.61 2uv5A1 ASN 248 HD22 -0.32 -0.05 -0.01 -0.04 7.74 7.33 2uv5A1 LEU 249 H -0.15 0.52 -0.13 -0.55 8.37 8.07 2uv5A1 LEU 249 HA 0.03 -0.01 0.43 -0.75 4.35 4.05 2uv5A1 LEU 249 HB2 0.06 -0.03 0.13 -0.04 1.64 1.75 2uv5A1 LEU 249 HB3 0.01 0.16 0.20 -0.04 1.64 1.97 2uv5A1 LEU 249 HG 0.01 0.05 -0.25 -0.04 1.64 1.42 2uv5A1 LEU 249 HD13 0.06 -0.02 -0.00 -0.04 0.93 0.92 2uv5A1 LEU 249 HD23 0.07 -0.02 -0.05 -0.04 0.89 0.85 2uv5A1 ALA 250 H -0.08 0.59 -0.09 -0.55 8.40 8.27 2uv5A1 ALA 250 HA -0.04 -0.02 0.37 -0.75 4.34 3.89 2uv5A1 ALA 250 HB3 -0.06 -0.00 0.11 -0.04 1.41 1.42 2uv5A1 ALA 251 H -0.10 0.36 -0.36 -0.55 8.40 7.76 2uv5A1 ALA 251 HA -0.04 0.05 0.50 -0.75 4.34 4.10 2uv5A1 ALA 251 HB3 -0.07 -0.03 0.08 -0.04 1.41 1.35 2uv5A1 GLU 252 H -0.02 0.41 -0.28 -0.55 8.60 8.16 2uv5A1 GLU 252 HA 0.03 -0.09 0.46 -0.75 4.29 3.93 2uv5A1 GLU 252 HB2 0.02 0.19 0.14 -0.04 2.09 2.40 2uv5A1 GLU 252 HB3 0.04 -0.19 0.02 -0.04 1.99 1.83 2uv5A1 GLU 252 HG2 0.15 -0.08 0.03 -0.04 2.34 2.40 2uv5A1 GLU 252 HG3 0.07 0.27 0.11 -0.04 2.34 2.75 2uv5A1 LYS 253 H 0.03 0.03 0.22 -0.55 8.42 8.14 2uv5A1 LYS 253 HA 0.01 0.16 0.47 -0.75 4.32 4.20 2uv5A1 LYS 253 HB2 0.02 -0.07 0.13 -0.04 1.87 1.91 2uv5A1 LYS 253 HB3 0.02 -0.04 0.09 -0.04 1.79 1.82 2uv5A1 LYS 253 HG2 0.01 0.01 0.06 -0.04 1.46 1.50 2uv5A1 LYS 253 HG3 0.01 0.13 0.10 -0.04 1.46 1.67 2uv5A1 LYS 253 HD2 0.02 -0.03 0.06 -0.04 1.69 1.69 2uv5A1 LYS 253 HD3 0.01 -0.04 0.04 -0.04 1.68 1.65 2uv5A1 LYS 253 HE2 0.01 0.03 0.04 -0.04 2.99 3.03 2uv5A1 LYS 253 HE3 0.01 -0.04 0.03 -0.04 2.99 2.94 2uv5A1 THR 254 H 0.03 -0.05 -0.17 -0.55 8.28 7.54 2uv5A1 THR 254 HA 0.06 0.06 0.52 -0.75 4.39 4.28 2uv5A1 THR 254 HB 0.06 0.03 0.02 -0.04 4.32 4.39 2uv5A1 THR 254 HG23 0.03 -0.01 0.01 -0.04 1.22 1.21 2uv5A1 TYR 255 H 0.17 0.05 0.12 -0.55 8.29 8.08 2uv5A1 TYR 255 HA 0.01 0.15 0.52 -0.75 4.56 4.49 2uv5A1 TYR 255 HB2 0.01 0.01 0.11 -0.04 3.06 3.15 2uv5A1 TYR 255 HB3 0.01 -0.06 0.14 -0.04 2.98 3.03 2uv5A1 TYR 255 HD2 0.01 -0.02 -0.19 -0.04 7.15 6.90 2uv5A1 TYR 255 HE2 0.01 -0.06 -0.10 -0.04 6.85 6.66 2uv5A1 ASN 256 H -0.32 0.31 0.23 -0.55 8.53 8.20 2uv5A1 ASN 256 HA 0.01 0.10 0.72 -0.75 4.76 4.84 2uv5A1 ASN 256 HB2 -0.08 0.08 -0.01 -0.04 2.88 2.83 2uv5A1 ASN 256 HB3 -0.02 0.01 0.07 -0.04 2.79 2.80 2uv5A1 ASN 256 HD21 0.02 -0.10 -0.14 -0.04 7.03 6.77 2uv5A1 ASN 256 HD22 -0.02 0.19 -0.06 -0.04 7.74 7.81 2uv5A1 ASN 257 H 0.01 0.14 0.10 -0.55 8.53 8.23 2uv5A1 ASN 257 HA -0.08 0.25 0.46 -0.75 4.76 4.63 2uv5A1 ASN 257 HB2 0.03 -0.13 0.19 -0.04 2.88 2.93 2uv5A1 ASN 257 HB3 0.04 0.14 0.07 -0.04 2.79 3.00 2uv5A1 ASN 257 HD21 0.11 0.05 -0.04 -0.04 7.03 7.10 2uv5A1 ASN 257 HD22 0.18 0.06 -0.06 -0.04 7.74 7.88 2uv5A1 LEU 258 H 0.05 0.20 0.11 -0.55 8.37 8.19 2uv5A1 LEU 258 HA 0.07 0.21 0.49 -0.75 4.35 4.37 2uv5A1 LEU 258 HB2 0.12 0.05 0.10 -0.04 1.64 1.86 2uv5A1 LEU 258 HB3 0.24 -0.15 0.13 -0.04 1.64 1.82 2uv5A1 LEU 258 HG 0.04 0.05 -0.06 -0.04 1.64 1.63 2uv5A1 LEU 258 HD13 0.07 0.01 -0.00 -0.04 0.93 0.97 2uv5A1 LEU 258 HD23 0.08 0.01 -0.11 -0.04 0.89 0.83 2uv5A1 ASP 259 H 0.11 0.09 -0.36 -0.55 8.40 7.69 2uv5A1 ASP 259 HA 0.19 0.09 0.72 -0.75 4.63 4.88 2uv5A1 ASP 259 HB2 0.16 -0.02 0.06 -0.04 2.71 2.87 2uv5A1 ASP 259 HB3 0.10 0.04 0.13 -0.04 2.70 2.92 2uv5A1 VAL 260 H 0.02 0.26 -0.49 -0.55 8.24 7.47 2uv5A1 VAL 260 HA 0.00 0.16 0.69 -0.75 4.13 4.22 2uv5A1 VAL 260 HB 0.03 0.02 -0.01 -0.04 2.12 2.12 2uv5A1 VAL 260 HG13 0.02 0.03 -0.02 -0.04 0.97 0.95 2uv5A1 VAL 260 HG23 0.01 0.03 0.07 -0.04 0.95 1.02 2uv5A1 SER 261 H -0.04 0.15 0.08 -0.55 8.46 8.11 2uv5A1 SER 261 HA -0.13 0.17 0.36 -0.75 4.49 4.13 2uv5A1 SER 261 HB2 -0.05 -0.04 0.09 -0.04 3.95 3.91 2uv5A1 SER 261 HB3 -0.08 0.08 0.10 -0.04 3.93 3.99 2uv5A1 VAL 262 H -0.21 0.70 0.24 -0.55 8.24 8.42 2uv5A1 VAL 262 HA -0.34 0.07 0.46 -0.75 4.13 3.57 2uv5A1 VAL 262 HB -0.82 -0.05 0.03 -0.04 2.12 1.23 2uv5A1 VAL 262 HG13 -0.66 0.05 -0.10 -0.04 0.97 0.22 2uv5A1 VAL 262 HG23 -0.19 0.03 -0.02 -0.04 0.95 0.73 2uv5A1 THR 263 H -0.07 0.17 -0.28 -0.55 8.28 7.55 2uv5A1 THR 263 HA 0.03 0.06 0.45 -0.75 4.39 4.17 2uv5A1 THR 263 HB -0.01 0.03 0.05 -0.04 4.32 4.36 2uv5A1 THR 263 HG23 -0.03 0.01 0.06 -0.04 1.22 1.21 2uv5A1 LYS 264 H 0.01 0.46 -0.43 -0.55 8.42 7.90 2uv5A1 LYS 264 HA 0.01 0.10 0.51 -0.75 4.32 4.19 2uv5A1 LYS 264 HB2 0.02 -0.01 0.08 -0.04 1.87 1.92 2uv5A1 LYS 264 HB3 0.06 0.05 -0.02 -0.04 1.79 1.84 2uv5A1 LYS 264 HG2 0.00 0.01 0.04 -0.04 1.46 1.47 2uv5A1 LYS 264 HG3 -0.00 -0.01 0.08 -0.04 1.46 1.49 2uv5A1 LYS 264 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2uv5A1 LYS 264 HD3 0.02 -0.04 0.02 -0.04 1.68 1.64 2uv5A1 LYS 264 HE2 0.03 0.03 -0.02 -0.04 2.99 2.99 2uv5A1 LYS 264 HE3 0.04 0.01 -0.03 -0.04 2.99 2.96 2uv5A1 ALA 265 H 0.17 0.40 -0.25 -0.55 8.40 8.17 2uv5A1 ALA 265 HA 0.23 0.07 0.47 -0.75 4.34 4.36 2uv5A1 ALA 265 HB3 0.27 0.00 0.12 -0.04 1.41 1.77 2uv5A1 LEU 266 H 0.07 0.35 -0.45 -0.55 8.37 7.80 2uv5A1 LEU 266 HA 0.04 0.20 0.52 -0.75 4.35 4.36 2uv5A1 LEU 266 HB2 0.02 0.16 0.10 -0.04 1.64 1.88 2uv5A1 LEU 266 HB3 0.03 -0.04 0.14 -0.04 1.64 1.73 2uv5A1 LEU 266 HG 0.05 -0.07 0.11 -0.04 1.64 1.69 2uv5A1 LEU 266 HD13 -0.00 -0.02 0.05 -0.04 0.93 0.92 2uv5A1 LEU 266 HD23 0.04 -0.01 0.10 -0.04 0.89 0.98 2uv5A1 GLN 267 H -0.04 0.48 -0.50 -0.55 8.47 7.87 2uv5A1 GLN 267 HA -0.06 0.06 0.49 -0.75 4.36 4.10 2uv5A1 GLN 267 HB2 -0.15 -0.04 0.09 -0.04 2.15 2.01 2uv5A1 GLN 267 HB3 -0.10 -0.01 0.11 -0.04 2.02 1.97 2uv5A1 GLN 267 HG2 -0.42 0.12 0.07 -0.04 2.40 2.13 2uv5A1 GLN 267 HG3 -0.82 0.00 -0.29 -0.04 2.39 1.24 2uv5A1 GLN 267 HE21 -0.09 -0.04 -0.02 -0.04 6.97 6.77 2uv5A1 GLN 267 HE22 -0.46 0.01 -0.06 -0.04 7.69 7.14 2uv5A1 HIS 268 H -0.00 0.36 -0.12 -0.55 8.41 8.10 2uv5A1 HIS 268 HA 0.01 0.13 0.67 -0.75 4.63 4.68 2uv5A1 HIS 268 HB2 0.02 0.10 0.14 -0.04 3.26 3.48 2uv5A1 HIS 268 HB3 0.03 -0.03 0.04 -0.04 3.20 3.20 2uv5A1 HIS 268 HD2 0.01 -0.04 0.05 -0.04 6.97 6.94 2uv5A1 HIS 268 HE1 -0.00 -0.00 -0.05 -0.04 7.75 7.66 2uv5A1 ARG 269 H 0.04 0.33 -0.07 -0.55 8.46 8.21 2uv5A1 ARG 269 HA -0.00 0.10 0.52 -0.75 4.34 4.20 2uv5A1 ARG 269 HB2 -0.11 0.01 0.02 -0.04 1.90 1.78 2uv5A1 ARG 269 HB3 0.01 0.15 -0.39 -0.04 1.80 1.52 2uv5A1 ARG 269 HG2 -0.53 -0.15 -0.31 -0.04 1.67 0.64 2uv5A1 ARG 269 HG3 -0.28 0.03 -0.10 -0.04 1.67 1.28 2uv5A1 ARG 269 HD2 0.07 0.02 -0.10 -0.04 3.22 3.17 2uv5A1 ARG 269 HD3 0.03 0.12 0.06 -0.04 3.22 3.39 2uv5A1 SER 270 H -0.02 0.26 0.05 -0.55 8.46 8.20 2uv5A1 SER 270 HA -0.00 0.16 0.85 -0.75 4.49 4.75 2uv5A1 SER 270 HB2 0.17 0.19 0.05 -0.04 3.95 4.31 2uv5A1 SER 270 HB3 0.17 0.07 0.16 -0.04 3.93 4.29 2uv5A1 HIS 271 H -0.19 0.22 0.02 -0.55 8.41 7.91 2uv5A1 HIS 271 HA 0.05 0.18 0.38 -0.75 4.63 4.48 2uv5A1 HIS 271 HB2 0.06 -0.09 0.04 -0.04 3.26 3.23 2uv5A1 HIS 271 HB3 0.03 0.20 -0.21 -0.04 3.20 3.17 2uv5A1 HIS 271 HD2 0.06 -0.12 0.11 -0.04 6.97 6.98 2uv5A1 HIS 271 HE1 -0.01 0.09 -0.02 -0.04 7.75 7.77 2uv5A1 TYR 272 H 0.21 0.11 -0.12 -0.55 8.29 7.94 2uv5A1 TYR 272 HA -0.05 0.02 0.31 -0.75 4.56 4.09 2uv5A1 TYR 272 HB2 -0.09 0.20 0.12 -0.04 3.06 3.24 2uv5A1 TYR 272 HB3 -0.20 -0.07 0.13 -0.04 2.98 2.79 2uv5A1 TYR 272 HD2 -0.82 -0.01 -0.08 -0.04 7.15 6.20 2uv5A1 TYR 272 HE2 -0.47 0.03 -0.02 -0.04 6.85 6.35 2uv5A1 PHE 273 H 0.27 0.08 -0.14 -0.55 8.34 7.99 2uv5A1 PHE 273 HA -0.00 0.12 0.44 -0.75 4.62 4.42 2uv5A1 PHE 273 HB2 0.10 -0.01 0.10 -0.04 3.15 3.30 2uv5A1 PHE 273 HB3 0.06 0.06 0.04 -0.04 3.06 3.18 2uv5A1 PHE 273 HD2 0.10 0.02 0.05 -0.04 7.28 7.41 2uv5A1 PHE 273 HE2 0.09 0.01 0.00 -0.04 7.38 7.44 2uv5A1 PHE 273 HZ 0.08 -0.01 -0.00 -0.04 7.32 7.35 2uv5A1 GLU 274 H 0.14 0.28 -0.30 -0.55 8.60 8.17 2uv5A1 GLU 274 HA 0.07 0.13 0.67 -0.75 4.29 4.41 2uv5A1 GLU 274 HB2 0.09 0.01 0.08 -0.04 2.09 2.23 2uv5A1 GLU 274 HB3 0.06 0.02 0.08 -0.04 1.99 2.11 2uv5A1 GLU 274 HG2 0.06 0.01 0.01 -0.04 2.34 2.38 2uv5A1 GLU 274 HG3 0.09 -0.02 0.02 -0.04 2.34 2.40 2uv5A1 GLY 275 H -0.04 0.32 -0.48 -0.55 8.43 7.69 2uv5A1 GLY 275 HA2 -0.11 -0.03 0.33 -0.51 4.01 3.69 2uv5A1 GLY 275 HA3 -0.04 0.07 0.40 -0.51 4.01 3.93 2uv5A1 VAL 276 H 0.02 0.50 -0.13 -0.55 8.24 8.08 2uv5A1 VAL 276 HA -0.02 0.24 0.81 -0.75 4.13 4.40 2uv5A1 VAL 276 HB 0.01 -0.01 0.11 -0.04 2.12 2.20 2uv5A1 VAL 276 HG13 0.02 0.07 -0.24 -0.04 0.97 0.78 2uv5A1 VAL 276 HG23 0.13 -0.03 -0.03 -0.04 0.95 0.98 2uv5A1 LEU 277 H -0.04 0.06 -0.16 -0.55 8.37 7.68 2uv5A1 LEU 277 HA -0.03 0.18 0.82 -0.75 4.35 4.56 2uv5A1 LEU 277 HB2 0.10 -0.15 -0.42 -0.04 1.64 1.14 2uv5A1 LEU 277 HB3 -0.01 0.05 -0.08 -0.04 1.64 1.56 2uv5A1 LEU 277 HG 0.03 0.04 -0.37 -0.04 1.64 1.30 2uv5A1 LEU 277 HD13 0.06 -0.01 -0.24 -0.04 0.93 0.70 2uv5A1 LEU 277 HD23 0.17 -0.01 -0.35 -0.04 0.89 0.65 2uv5A1 LYS 278 H -0.09 0.08 0.05 -0.55 8.42 7.91 2uv5A1 LYS 278 HA -0.08 0.27 0.81 -0.75 4.32 4.56 2uv5A1 LYS 278 HB2 -0.19 -0.00 -0.03 -0.04 1.87 1.60 2uv5A1 LYS 278 HB3 -0.17 0.06 0.08 -0.04 1.79 1.71 2uv5A1 LYS 278 HG2 -0.03 0.03 -0.19 -0.04 1.46 1.23 2uv5A1 LYS 278 HG3 -0.06 -0.14 -0.12 -0.04 1.46 1.10 2uv5A1 LYS 278 HD2 -0.06 -0.01 -0.03 -0.04 1.69 1.56 2uv5A1 LYS 278 HD3 0.02 0.09 -0.01 -0.04 1.68 1.74 2uv5A1 LYS 278 HE2 -0.16 -0.03 -0.02 -0.04 2.99 2.75 2uv5A1 LYS 278 HE3 -0.14 0.00 -0.03 -0.04 2.99 2.78 2uv5A1 CYS 279 H -0.15 0.63 0.30 -0.55 8.50 8.73 2uv5A1 CYS 279 HA -0.31 0.11 0.30 -0.75 4.58 3.93 2uv5A1 CYS 279 HB2 -0.10 -0.02 0.07 -0.04 2.97 2.88 2uv5A1 CYS 279 HB3 -0.10 0.14 -0.15 -0.04 2.97 2.82 2uv5A1 TYR 280 H -0.15 0.21 0.15 -0.55 8.29 7.95 2uv5A1 TYR 280 HA -0.04 0.28 1.00 -0.75 4.56 5.04 2uv5A1 TYR 280 HB2 -0.67 -0.05 0.06 -0.04 3.06 2.36 2uv5A1 TYR 280 HB3 -0.17 -0.05 0.10 -0.04 2.98 2.82 2uv5A1 TYR 280 HD2 -0.03 0.14 0.02 -0.04 7.15 7.24 2uv5A1 TYR 280 HE2 0.05 0.08 -0.14 -0.04 6.85 6.79 2uv5A1 LEU 281 H 0.13 0.24 0.13 -0.55 8.37 8.32 2uv5A1 LEU 281 HA 0.05 0.11 0.41 -0.75 4.35 4.17 2uv5A1 LEU 281 HB2 0.07 -0.00 0.09 -0.04 1.64 1.76 2uv5A1 LEU 281 HB3 0.02 -0.02 0.00 -0.04 1.64 1.60 2uv5A1 LEU 281 HG 0.08 -0.02 0.00 -0.04 1.64 1.65 2uv5A1 LEU 281 HD13 -0.07 0.02 -0.03 -0.04 0.93 0.80 2uv5A1 LEU 281 HD23 -0.07 0.02 -0.11 -0.04 0.89 0.68 2uv5A1 HIS 282 H -0.07 0.06 -0.27 -0.55 8.41 7.58 2uv5A1 HIS 282 HA 0.02 0.07 0.48 -0.75 4.63 4.45 2uv5A1 HIS 282 HB2 0.00 0.05 0.11 -0.04 3.26 3.39 2uv5A1 HIS 282 HB3 -0.01 -0.01 0.06 -0.04 3.20 3.20 2uv5A1 HIS 282 HD2 0.03 0.02 -0.21 -0.04 6.97 6.77 2uv5A1 HIS 282 HE1 -0.68 0.02 -0.03 -0.04 7.75 7.03 2uv5A1 GLU 283 H -0.18 0.37 -0.35 -0.55 8.60 7.90 2uv5A1 GLU 283 HA 0.00 0.07 0.51 -0.75 4.29 4.12 2uv5A1 GLU 283 HB2 -0.07 0.11 0.14 -0.04 2.09 2.23 2uv5A1 GLU 283 HB3 -0.03 0.04 0.06 -0.04 1.99 2.02 2uv5A1 GLU 283 HG2 -0.04 0.05 0.00 -0.04 2.34 2.31 2uv5A1 GLU 283 HG3 -0.26 -0.13 0.05 -0.04 2.34 1.96 2uv5A1 THR 284 H 0.02 0.06 0.18 -0.55 8.28 7.98 2uv5A1 THR 284 HA 0.02 0.29 0.40 -0.75 4.39 4.34 2uv5A1 THR 284 HB 0.01 0.28 0.11 -0.04 4.32 4.68 2uv5A1 THR 284 HG23 0.02 0.03 -0.02 -0.04 1.22 1.21 2uv5A1 LEU 285 H 0.02 0.75 0.23 -0.55 8.37 8.82 2uv5A1 LEU 285 HA 0.01 -0.02 0.44 -0.75 4.35 4.03 2uv5A1 LEU 285 HB2 0.03 0.30 0.19 -0.04 1.64 2.12 2uv5A1 LEU 285 HB3 0.00 -0.05 -0.05 -0.04 1.64 1.50 2uv5A1 LEU 285 HG 0.03 0.09 -0.05 -0.04 1.64 1.67 2uv5A1 LEU 285 HD13 0.00 -0.03 -0.01 -0.04 0.93 0.84 2uv5A1 LEU 285 HD23 0.03 0.01 -0.17 -0.04 0.89 0.72 2uv5A1 GLU 286 H -0.00 0.62 0.03 -0.55 8.60 8.70 2uv5A1 GLU 286 HA -0.02 0.06 0.47 -0.75 4.29 4.04 2uv5A1 GLU 286 HB2 -0.01 0.05 0.05 -0.04 2.09 2.13 2uv5A1 GLU 286 HB3 -0.01 -0.04 0.03 -0.04 1.99 1.94 2uv5A1 GLU 286 HG2 -0.01 -0.03 -0.21 -0.04 2.34 2.06 2uv5A1 GLU 286 HG3 -0.02 0.02 0.01 -0.04 2.34 2.31 2uv5A1 THR 287 H -0.00 0.10 -0.27 -0.55 8.28 7.56 2uv5A1 THR 287 HA -0.00 0.07 0.43 -0.75 4.39 4.13 2uv5A1 THR 287 HB -0.00 0.13 0.09 -0.04 4.32 4.50 2uv5A1 THR 287 HG23 -0.01 -0.00 -0.10 -0.04 1.22 1.07 2uv5A1 ILE 288 H -0.01 0.49 -0.25 -0.55 8.25 7.93 2uv5A1 ILE 288 HA -0.02 0.02 0.30 -0.75 4.18 3.72 2uv5A1 ILE 288 HB -0.01 0.10 0.11 -0.04 1.89 2.05 2uv5A1 ILE 288 HG12 -0.01 0.24 -0.14 -0.04 1.49 1.54 2uv5A1 ILE 288 HG13 -0.00 -0.02 -0.14 -0.04 1.21 1.00 2uv5A1 ILE 288 HG23 -0.01 -0.02 -0.20 -0.04 0.93 0.66 2uv5A1 ILE 288 HD13 -0.04 -0.03 -0.10 -0.04 0.88 0.67 2uv5A1 ILE 289 H -0.01 0.77 -0.02 -0.55 8.25 8.43 2uv5A1 ILE 289 HA -0.01 -0.02 0.32 -0.75 4.18 3.71 2uv5A1 ILE 289 HB -0.03 0.08 0.14 -0.04 1.89 2.05 2uv5A1 ILE 289 HG12 -0.02 -0.07 -0.01 -0.04 1.49 1.35 2uv5A1 ILE 289 HG13 -0.02 0.07 0.05 -0.04 1.21 1.27 2uv5A1 ILE 289 HG23 -0.02 -0.01 -0.13 -0.04 0.93 0.73 2uv5A1 ILE 289 HD13 -0.06 -0.00 -0.07 -0.04 0.88 0.71 2uv5A1 ASN 290 H -0.01 0.53 -0.25 -0.55 8.53 8.25 2uv5A1 ASN 290 HA -0.01 -0.00 0.36 -0.75 4.76 4.36 2uv5A1 ASN 290 HB2 -0.01 0.11 0.15 -0.04 2.88 3.09 2uv5A1 ASN 290 HB3 -0.00 -0.04 -0.00 -0.04 2.79 2.70 2uv5A1 ASN 290 HD21 -0.01 -0.05 -0.03 -0.04 7.03 6.90 2uv5A1 ASN 290 HD22 -0.01 -0.04 -0.05 -0.04 7.74 7.60 2uv5A1 ARG 291 H -0.01 0.48 -0.25 -0.55 8.46 8.12 2uv5A1 ARG 291 HA -0.01 0.03 0.47 -0.75 4.34 4.08 2uv5A1 ARG 291 HB2 -0.02 0.02 0.13 -0.04 1.90 1.99 2uv5A1 ARG 291 HB3 -0.02 0.06 0.14 -0.04 1.80 1.93 2uv5A1 ARG 291 HG2 -0.03 -0.08 -0.18 -0.04 1.67 1.35 2uv5A1 ARG 291 HG3 -0.02 0.08 0.11 -0.04 1.67 1.80 2uv5A1 ARG 291 HD2 -0.06 -0.08 -0.06 -0.04 3.22 2.98 2uv5A1 ARG 291 HD3 -0.06 0.02 0.05 -0.04 3.22 3.19 2uv5A1 LEU 292 H -0.01 0.58 -0.07 -0.55 8.37 8.33 2uv5A1 LEU 292 HA -0.00 -0.03 0.44 -0.75 4.35 4.00 2uv5A1 LEU 292 HB2 -0.01 0.12 0.11 -0.04 1.64 1.83 2uv5A1 LEU 292 HB3 0.00 0.06 -0.01 -0.04 1.64 1.66 2uv5A1 LEU 292 HG -0.02 0.10 -0.11 -0.04 1.64 1.58 2uv5A1 LEU 292 HD13 -0.01 -0.04 -0.21 -0.04 0.93 0.62 2uv5A1 LEU 292 HD23 -0.01 -0.02 -0.33 -0.04 0.89 0.50 2uv5A1 VAL 293 H -0.00 0.52 -0.18 -0.55 8.24 8.03 2uv5A1 VAL 293 HA 0.01 -0.00 0.34 -0.75 4.13 3.73 2uv5A1 VAL 293 HB -0.00 0.08 0.13 -0.04 2.12 2.29 2uv5A1 VAL 293 HG13 0.00 -0.01 -0.09 -0.04 0.97 0.83 2uv5A1 VAL 293 HG23 -0.00 -0.00 -0.00 -0.04 0.95 0.90 2uv5A1 GLU 294 H 0.00 0.62 -0.07 -0.55 8.60 8.61 2uv5A1 GLU 294 HA 0.01 -0.04 0.42 -0.75 4.29 3.92 2uv5A1 GLU 294 HB2 0.00 0.16 0.22 -0.04 2.09 2.43 2uv5A1 GLU 294 HB3 0.01 0.09 0.13 -0.04 1.99 2.18 2uv5A1 GLU 294 HG2 0.01 -0.02 -0.11 -0.04 2.34 2.19 2uv5A1 GLU 294 HG3 0.01 -0.07 0.06 -0.04 2.34 2.29 2uv5A1 ALA 295 H 0.01 0.30 -0.28 -0.55 8.40 7.88 2uv5A1 ALA 295 HA 0.02 0.16 0.73 -0.75 4.34 4.50 2uv5A1 ALA 295 HB3 0.05 -0.01 0.01 -0.04 1.41 1.41 2uv5A1 GLU 296 H 0.01 0.35 -0.25 -0.55 8.60 8.17 2uv5A1 GLU 296 HA 0.04 0.04 0.35 -0.75 4.29 3.97 2uv5A1 GLU 296 HB2 -0.00 0.02 -0.19 -0.04 2.09 1.88 2uv5A1 GLU 296 HB3 -0.03 -0.02 0.26 -0.04 1.99 2.16 2uv5A1 GLU 296 HG2 0.06 -0.05 0.03 -0.04 2.34 2.34 2uv5A1 GLU 296 HG3 0.02 0.04 0.05 -0.04 2.34 2.41 2uv5A1 VAL 297 H 0.02 0.45 0.02 -0.55 8.24 8.19 2uv5A1 VAL 297 HA -0.10 0.13 0.86 -0.75 4.13 4.26 2uv5A1 VAL 297 HB -0.14 -0.13 0.14 -0.04 2.12 1.95 2uv5A1 VAL 297 HG13 -0.04 0.02 -0.10 -0.04 0.97 0.80 2uv5A1 VAL 297 HG23 -0.03 0.05 -0.02 -0.04 0.95 0.90 2uv5A1 HIS 298 H -0.02 0.10 0.14 -0.55 8.41 8.08 2uv5A1 HIS 298 HA -0.05 0.24 0.68 -0.75 4.63 4.74 2uv5A1 HIS 298 HB2 -0.06 -0.02 0.05 -0.04 3.26 3.19 2uv5A1 HIS 298 HB3 -0.05 -0.10 0.14 -0.04 3.20 3.15 2uv5A1 HIS 298 HD2 -0.06 0.09 -0.78 -0.04 6.97 6.18 2uv5A1 HIS 298 HE1 -0.08 0.00 -0.03 -0.04 7.75 7.61 2uv5A1 ARG 299 H -0.01 0.24 0.02 -0.55 8.46 8.15 2uv5A1 ARG 299 HA -0.01 0.17 0.45 -0.75 4.34 4.20 2uv5A1 ARG 299 HB2 -0.02 0.06 -0.01 -0.04 1.90 1.89 2uv5A1 ARG 299 HB3 0.01 -0.01 -0.06 -0.04 1.80 1.69 2uv5A1 ARG 299 HG2 -0.04 0.07 -0.44 -0.04 1.67 1.22 2uv5A1 ARG 299 HG3 -0.01 -0.01 -0.21 -0.04 1.67 1.40 2uv5A1 ARG 299 HD2 -0.05 -0.10 -0.08 -0.04 3.22 2.96 2uv5A1 ARG 299 HD3 -0.03 -0.02 -0.17 -0.04 3.22 2.95 2uv5A1 LEU 300 H -0.03 0.62 0.27 -0.55 8.37 8.69 2uv5A1 LEU 300 HA -0.05 0.28 0.65 -0.75 4.35 4.47 2uv5A1 LEU 300 HB2 -0.04 -0.08 -0.17 -0.04 1.64 1.31 2uv5A1 LEU 300 HB3 -0.06 0.00 -0.41 -0.04 1.64 1.13 2uv5A1 LEU 300 HG -0.04 -0.07 -0.65 -0.04 1.64 0.83 2uv5A1 LEU 300 HD13 -0.04 0.00 -0.23 -0.04 0.93 0.62 2uv5A1 LEU 300 HD23 -0.05 0.07 -0.47 -0.04 0.89 0.40 2uv5A1 VAL 301 H -0.04 0.76 0.30 -0.55 8.24 8.71 2uv5A1 VAL 301 HA -0.03 0.16 0.92 -0.75 4.13 4.43 2uv5A1 VAL 301 HB -0.01 -0.04 0.08 -0.04 2.12 2.10 2uv5A1 VAL 301 HG13 0.00 0.02 -0.04 -0.04 0.97 0.91 2uv5A1 VAL 301 HG23 -0.00 0.02 -0.03 -0.04 0.95 0.90 2uv5A1 VAL 302 H -0.01 0.47 0.12 -0.55 8.24 8.27 2uv5A1 VAL 302 HA 0.00 0.22 0.64 -0.75 4.13 4.24 2uv5A1 VAL 302 HB 0.14 -0.09 -0.04 -0.04 2.12 2.09 2uv5A1 VAL 302 HG13 0.18 0.00 -0.19 -0.04 0.97 0.93 2uv5A1 VAL 302 HG23 0.07 0.02 -0.28 -0.04 0.95 0.72 2uv5A1 VAL 303 H 0.02 0.60 0.41 -0.55 8.24 8.71 2uv5A1 VAL 303 HA 0.08 0.25 1.01 -0.75 4.13 4.71 2uv5A1 VAL 303 HB 0.07 -0.17 -0.08 -0.04 2.12 1.90 2uv5A1 VAL 303 HG13 0.01 0.03 -0.39 -0.04 0.97 0.57 2uv5A1 VAL 303 HG23 -0.01 0.05 -0.06 -0.04 0.95 0.89 2uv5A1 ASP 304 H 0.10 0.38 0.17 -0.55 8.40 8.51 2uv5A1 ASP 304 HA 0.14 0.19 0.79 -0.75 4.63 5.00 2uv5A1 ASP 304 HB2 0.06 -0.04 0.20 -0.04 2.71 2.88 2uv5A1 ASP 304 HB3 0.07 0.13 0.05 -0.04 2.70 2.92 2uv5A1 GLU 305 H 0.04 0.19 0.16 -0.55 8.60 8.44 2uv5A1 GLU 305 HA 0.05 0.14 0.37 -0.75 4.29 4.10 2uv5A1 GLU 305 HB2 -0.01 0.06 0.13 -0.04 2.09 2.23 2uv5A1 GLU 305 HB3 -0.03 0.01 0.13 -0.04 1.99 2.06 2uv5A1 GLU 305 HG2 0.02 0.04 -0.17 -0.04 2.34 2.18 2uv5A1 GLU 305 HG3 -0.00 0.05 -0.00 -0.04 2.34 2.35 2uv5A1 ASN 306 H 0.06 -0.03 -0.38 -0.55 8.53 7.63 2uv5A1 ASN 306 HA 0.05 0.25 0.75 -0.75 4.76 5.05 2uv5A1 ASN 306 HB2 0.03 -0.01 -0.01 -0.04 2.88 2.85 2uv5A1 ASN 306 HB3 0.04 -0.06 -0.00 -0.04 2.79 2.73 2uv5A1 ASN 306 HD21 0.02 0.04 0.01 -0.04 7.03 7.06 2uv5A1 ASN 306 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.69 2uv5A1 ASP 307 H 0.11 0.48 -0.30 -0.55 8.40 8.14 2uv5A1 ASP 307 HA 0.08 0.08 0.26 -0.75 4.63 4.30 2uv5A1 ASP 307 HB2 0.06 0.16 0.05 -0.04 2.71 2.93 2uv5A1 ASP 307 HB3 0.06 -0.04 0.23 -0.04 2.70 2.90 2uv5A1 VAL 308 H 0.06 -0.09 -0.36 -0.55 8.24 7.30 2uv5A1 VAL 308 HA 0.03 0.27 0.77 -0.75 4.13 4.45 2uv5A1 VAL 308 HB 0.04 -0.15 -0.00 -0.04 2.12 1.97 2uv5A1 VAL 308 HG13 0.03 0.07 -0.05 -0.04 0.97 0.98 2uv5A1 VAL 308 HG23 0.03 0.04 -0.18 -0.04 0.95 0.80 2uv5A1 VAL 309 H 0.03 0.19 0.14 -0.55 8.24 8.06 2uv5A1 VAL 309 HA 0.04 0.09 0.39 -0.75 4.13 3.89 2uv5A1 VAL 309 HB 0.02 0.01 0.09 -0.04 2.12 2.20 2uv5A1 VAL 309 HG13 0.02 0.02 -0.22 -0.04 0.97 0.75 2uv5A1 VAL 309 HG23 0.02 0.00 -0.00 -0.04 0.95 0.93 2uv5A1 LYS 310 H 0.07 0.79 0.50 -0.55 8.42 9.23 2uv5A1 LYS 310 HA 0.10 0.15 0.81 -0.75 4.32 4.62 2uv5A1 LYS 310 HB2 0.15 0.02 -0.15 -0.04 1.87 1.85 2uv5A1 LYS 310 HB3 0.18 -0.02 -0.03 -0.04 1.79 1.88 2uv5A1 LYS 310 HG2 0.08 0.02 -0.04 -0.04 1.46 1.48 2uv5A1 LYS 310 HG3 0.09 0.01 -0.22 -0.04 1.46 1.30 2uv5A1 LYS 310 HD2 0.09 -0.12 -0.18 -0.04 1.69 1.44 2uv5A1 LYS 310 HD3 0.13 0.05 -0.39 -0.04 1.68 1.42 2uv5A1 LYS 310 HE2 0.06 -0.07 -0.05 -0.04 2.99 2.88 2uv5A1 LYS 310 HE3 0.07 0.05 -0.08 -0.04 2.99 2.99 2uv5A1 GLY 311 H 0.05 0.35 0.37 -0.55 8.43 8.64 2uv5A1 GLY 311 HA2 -0.10 0.07 0.46 -0.51 4.01 3.94 2uv5A1 GLY 311 HA3 -0.28 0.12 0.49 -0.51 4.01 3.83 2uv5A1 ILE 312 H -0.36 0.61 0.41 -0.55 8.25 8.37 2uv5A1 ILE 312 HA -0.08 0.20 1.09 -0.75 4.18 4.64 2uv5A1 ILE 312 HB -0.10 -0.03 0.10 -0.04 1.89 1.81 2uv5A1 ILE 312 HG12 -0.06 -0.09 -0.45 -0.04 1.49 0.85 2uv5A1 ILE 312 HG13 -0.03 0.03 -0.05 -0.04 1.21 1.13 2uv5A1 ILE 312 HG23 -0.04 -0.01 -0.20 -0.04 0.93 0.65 2uv5A1 ILE 312 HD13 -0.01 0.01 -0.05 -0.04 0.88 0.78 2uv5A1 VAL 313 H -0.05 0.69 0.27 -0.55 8.24 8.60 2uv5A1 VAL 313 HA -0.06 0.09 0.93 -0.75 4.13 4.34 2uv5A1 VAL 313 HB -0.02 -0.02 0.06 -0.04 2.12 2.10 2uv5A1 VAL 313 HG13 -0.00 0.01 -0.23 -0.04 0.97 0.70 2uv5A1 VAL 313 HG23 0.02 0.01 -0.24 -0.04 0.95 0.70 2uv5A1 SER 314 H -0.03 0.10 0.14 -0.55 8.46 8.12 2uv5A1 SER 314 HA -0.01 0.33 1.08 -0.75 4.49 5.13 2uv5A1 SER 314 HB2 -0.01 0.08 0.23 -0.04 3.95 4.21 2uv5A1 SER 314 HB3 -0.01 0.02 0.02 -0.04 3.93 3.92 2uv5A1 LEU 315 H -0.03 0.47 0.27 -0.55 8.37 8.54 2uv5A1 LEU 315 HA -0.04 0.10 0.32 -0.75 4.35 3.98 2uv5A1 LEU 315 HB2 -0.09 -0.05 0.13 -0.04 1.64 1.59 2uv5A1 LEU 315 HB3 -0.09 0.05 0.06 -0.04 1.64 1.62 2uv5A1 LEU 315 HG -0.11 0.11 0.24 -0.04 1.64 1.84 2uv5A1 LEU 315 HD13 -0.47 0.01 0.01 -0.04 0.93 0.44 2uv5A1 LEU 315 HD23 -0.06 0.03 -0.01 -0.04 0.89 0.81 2uv5A1 SER 316 H -0.03 0.08 -0.14 -0.55 8.46 7.82 2uv5A1 SER 316 HA -0.02 0.11 0.37 -0.75 4.49 4.19 2uv5A1 SER 316 HB2 -0.02 -0.07 0.06 -0.04 3.95 3.89 2uv5A1 SER 316 HB3 -0.02 0.10 0.02 -0.04 3.93 3.99 2uv5A1 ASP 317 H -0.02 0.04 -0.27 -0.55 8.40 7.60 2uv5A1 ASP 317 HA -0.00 0.11 0.39 -0.75 4.63 4.38 2uv5A1 ASP 317 HB2 -0.01 0.10 0.12 -0.04 2.71 2.88 2uv5A1 ASP 317 HB3 0.01 -0.02 0.06 -0.04 2.70 2.70 2uv5A1 ILE 318 H -0.01 0.35 -0.18 -0.55 8.25 7.86 2uv5A1 ILE 318 HA 0.00 0.06 0.46 -0.75 4.18 3.94 2uv5A1 ILE 318 HB -0.01 0.07 0.12 -0.04 1.89 2.03 2uv5A1 ILE 318 HG12 -0.00 -0.00 -0.07 -0.04 1.49 1.37 2uv5A1 ILE 318 HG13 -0.00 -0.08 -0.11 -0.04 1.21 0.97 2uv5A1 ILE 318 HG23 -0.00 0.00 -0.13 -0.04 0.93 0.76 2uv5A1 ILE 318 HD13 -0.01 -0.01 -0.23 -0.04 0.88 0.59 2uv5A1 LEU 319 H -0.01 0.59 -0.01 -0.55 8.37 8.39 2uv5A1 LEU 319 HA 0.03 0.02 0.44 -0.75 4.35 4.09 2uv5A1 LEU 319 HB2 -0.01 0.06 0.13 -0.04 1.64 1.78 2uv5A1 LEU 319 HB3 -0.00 0.01 -0.03 -0.04 1.64 1.57 2uv5A1 LEU 319 HG -0.01 0.09 -0.01 -0.04 1.64 1.66 2uv5A1 LEU 319 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 2uv5A1 LEU 319 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 2uv5A1 GLN 320 H -0.01 0.49 -0.14 -0.55 8.47 8.27 2uv5A1 GLN 320 HA -0.01 -0.01 0.32 -0.75 4.36 3.90 2uv5A1 GLN 320 HB2 -0.00 0.07 0.16 -0.04 2.15 2.34 2uv5A1 GLN 320 HB3 -0.00 0.02 -0.04 -0.04 2.02 1.96 2uv5A1 GLN 320 HG2 -0.01 -0.02 0.04 -0.04 2.40 2.38 2uv5A1 GLN 320 HG3 -0.01 0.03 0.07 -0.04 2.39 2.43 2uv5A1 GLN 320 HE21 -0.01 -0.07 -0.07 -0.04 6.97 6.78 2uv5A1 GLN 320 HE22 -0.01 -0.02 -0.07 -0.04 7.69 7.55 2uv5A1 ALA 321 H -0.01 0.27 -0.29 -0.55 8.40 7.82 2uv5A1 ALA 321 HA -0.04 0.08 0.58 -0.75 4.34 4.21 2uv5A1 ALA 321 HB3 -0.01 0.01 0.09 -0.04 1.41 1.46 2uv5A1 LEU 322 H -0.01 0.47 0.01 -0.55 8.37 8.28 2uv5A1 LEU 322 HA -0.08 -0.10 0.27 -0.75 4.35 3.70 2uv5A1 LEU 322 HB2 0.07 0.09 0.15 -0.04 1.64 1.90 2uv5A1 LEU 322 HB3 0.21 -0.06 0.05 -0.04 1.64 1.79 2uv5A1 LEU 322 HG -0.01 0.09 0.03 -0.04 1.64 1.71 2uv5A1 LEU 322 HD13 0.10 -0.04 -0.09 -0.04 0.93 0.86 2uv5A1 LEU 322 HD23 -0.15 -0.03 0.03 -0.04 0.89 0.69 2uv5A1 VAL 323 H -0.03 0.17 -0.93 -0.55 8.24 6.89 2uv5A1 VAL 323 HA -0.01 -0.04 0.56 -0.75 4.13 3.89 2uv5A1 VAL 323 HB -0.02 -0.12 0.04 -0.04 2.12 1.98 2uv5A1 VAL 323 HG13 -0.01 -0.00 -0.10 -0.04 0.97 0.82 2uv5A1 VAL 323 HG23 -0.03 0.02 0.04 -0.04 0.95 0.95