============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 2 0.900 84.201 17.168 -54.617 -99.200 -91.000 HIS 13 0.900 81.494 9.041 -56.928 -99.200 -91.000 PHE 25 1.000 82.358 6.831 -49.592 -99.200 -91.000 TYR 29 0.840 81.949 13.351 -43.294 -99.200 -91.000 PHE 38 1.000 76.623 28.871 -41.647 -99.200 -91.000 TRP 40 1.040 76.473 30.220 -32.336 -99.200 -91.000 TRP6 40 1.020 78.098 30.411 -34.057 -99.200 -91.000 HIS 42 0.900 67.140 34.972 -31.659 -99.200 -91.000 TYR 54 0.840 73.324 15.717 -27.380 -99.200 -91.000 TYR 60 0.840 74.774 27.090 -38.612 -99.200 -91.000 HIS 62 0.900 71.366 30.630 -42.239 -99.200 -91.000 TYR 78 0.840 66.366 28.311 -29.395 -99.200 -91.000 TYR 83 0.840 61.451 26.798 -41.484 -99.200 -91.000 TYR 87 0.840 65.982 17.211 -57.571 -99.200 -91.000 TYR 93 0.840 63.139 16.878 -46.163 -99.200 -91.000 PHE 104 1.000 58.356 16.063 -23.318 -99.200 -91.000 PHE 107 1.000 58.258 17.676 -31.546 -99.200 -91.000 TRP 108 1.040 53.408 17.652 -28.783 -99.200 -91.000 TRP6 108 1.020 52.874 16.276 -30.644 -99.200 -91.000 TRP 112 1.040 48.007 25.064 -34.082 -99.200 -91.000 TRP6 112 1.020 46.093 23.674 -33.805 -99.200 -91.000 TYR 136 0.840 57.886 13.525 -29.553 -99.200 -91.000 TRP 137 1.040 54.491 8.942 -28.042 -99.200 -91.000 TRP6 137 1.020 56.824 8.810 -28.413 -99.200 -91.000 HIS 145 0.900 52.920 17.273 -23.938 -99.200 -91.000 TYR 161 0.840 57.401 1.059 -40.470 -99.200 -91.000 PHE 166 1.000 50.742 11.080 -31.610 -99.200 -91.000 TYR 169 0.840 40.542 18.857 -30.940 -99.200 -91.000 PHE 182 1.000 54.719 7.501 -41.135 -99.200 -91.000 PHE 184 1.000 64.600 2.341 -39.382 -99.200 -91.000 TRP 187 1.040 71.028 4.201 -37.078 -99.200 -91.000 TRP6 187 1.020 70.905 5.206 -39.219 -99.200 -91.000 HIS 190 0.900 77.907 0.876 -29.682 -99.200 -91.000 HIS 195 0.900 72.680 -6.507 -45.018 -99.200 -91.000 PHE 199 1.000 66.344 5.517 -43.803 -99.200 -91.000 PHE 202 1.000 60.875 5.250 -41.049 -99.200 -91.000 HIS 220 0.900 62.124 13.344 -32.981 -99.200 -91.000 PHE 231 1.000 63.073 10.755 -43.628 -99.200 -91.000 HIS 243 0.900 63.179 16.701 -62.574 -99.200 -91.000 TYR 250 0.840 81.602 17.746 -51.981 -99.200 -91.000 HIS 252 0.900 70.087 18.080 -50.653 -99.200 -91.000 TYR 262 0.840 78.083 20.496 -35.153 -99.200 -91.000 TYR 270 0.840 79.658 11.984 -47.950 -99.200 -91.000 PHE 272 1.000 72.347 3.502 -44.050 -99.200 -91.000 HIS 274 0.900 78.104 8.549 -51.008 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nv5A1 SER 1204 HA -0.08 -0.04 0.13 -0.75 4.49 3.75 2nv5A1 SER 1204 HB2 -0.00 -0.01 0.02 -0.04 3.95 3.91 2nv5A1 SER 1204 HB3 -0.03 0.02 -0.09 -0.04 3.93 3.79 2nv5A1 HIS 1205 H 0.08 0.24 -0.06 -0.55 8.41 8.13 2nv5A1 HIS 1205 HA -0.08 0.16 0.60 -0.75 4.63 4.56 2nv5A1 HIS 1205 HB2 -0.10 -0.02 0.09 -0.04 3.26 3.20 2nv5A1 HIS 1205 HB3 -0.16 -0.11 0.04 -0.04 3.20 2.92 2nv5A1 HIS 1205 HD2 -0.32 -0.08 0.00 -0.04 6.97 6.52 2nv5A1 HIS 1205 HE1 -0.17 0.01 -0.08 -0.04 7.75 7.46 2nv5A1 PRO 1206 HA 0.05 0.11 0.57 -0.51 4.44 4.67 2nv5A1 PRO 1206 HB2 -0.00 0.12 0.04 -0.04 2.28 2.40 2nv5A1 PRO 1206 HB3 0.01 -0.01 0.05 -0.04 2.02 2.03 2nv5A1 PRO 1206 HG2 -0.03 0.05 -0.06 -0.04 2.03 1.95 2nv5A1 PRO 1206 HG3 -0.02 0.01 -0.01 -0.04 2.03 1.96 2nv5A1 PRO 1206 HD2 -0.04 0.07 0.05 -0.04 3.68 3.72 2nv5A1 PRO 1206 HD3 -0.05 0.14 -0.20 -0.04 3.65 3.50 2nv5A1 PRO 1207 HA 0.02 0.06 0.59 -0.51 4.44 4.60 2nv5A1 PRO 1207 HB2 0.00 0.02 -0.12 -0.04 2.28 2.14 2nv5A1 PRO 1207 HB3 0.02 -0.03 -0.12 -0.04 2.02 1.84 2nv5A1 PRO 1207 HG2 0.04 0.05 0.02 -0.04 2.03 2.10 2nv5A1 PRO 1207 HG3 0.06 0.01 0.04 -0.04 2.03 2.10 2nv5A1 PRO 1207 HD2 0.02 0.10 0.18 -0.04 3.68 3.94 2nv5A1 PRO 1207 HD3 0.05 0.14 0.22 -0.04 3.65 4.02 2nv5A1 ILE 1208 H -0.06 0.80 0.35 -0.55 8.25 8.80 2nv5A1 ILE 1208 HA -0.09 0.27 0.94 -0.75 4.18 4.54 2nv5A1 ILE 1208 HB -0.16 -0.11 0.17 -0.04 1.89 1.75 2nv5A1 ILE 1208 HG12 -0.80 -0.05 -0.06 -0.04 1.49 0.55 2nv5A1 ILE 1208 HG13 -0.25 0.20 -0.32 -0.04 1.21 0.80 2nv5A1 ILE 1208 HG23 -0.12 0.02 -0.19 -0.04 0.93 0.59 2nv5A1 ILE 1208 HD13 -0.31 -0.02 -0.02 -0.04 0.88 0.49 2nv5A1 PRO 1209 HA -0.04 0.35 0.61 -0.51 4.44 4.86 2nv5A1 PRO 1209 HB2 -0.02 -0.17 0.05 -0.04 2.28 2.10 2nv5A1 PRO 1209 HB3 -0.02 0.11 0.16 -0.04 2.02 2.23 2nv5A1 PRO 1209 HG2 -0.02 0.03 0.09 -0.04 2.03 2.08 2nv5A1 PRO 1209 HG3 -0.02 0.12 0.09 -0.04 2.03 2.17 2nv5A1 PRO 1209 HD2 -0.05 0.04 0.21 -0.04 3.68 3.85 2nv5A1 PRO 1209 HD3 -0.04 0.39 0.20 -0.04 3.65 4.16 2nv5A1 ILE 1210 H -0.04 0.53 0.23 -0.55 8.25 8.42 2nv5A1 ILE 1210 HA -0.03 0.07 0.30 -0.75 4.18 3.77 2nv5A1 ILE 1210 HB -0.03 0.01 0.03 -0.04 1.89 1.87 2nv5A1 ILE 1210 HG12 -0.04 0.19 0.18 -0.04 1.49 1.78 2nv5A1 ILE 1210 HG13 -0.03 -0.08 0.08 -0.04 1.21 1.14 2nv5A1 ILE 1210 HG23 -0.05 0.01 -0.15 -0.04 0.93 0.70 2nv5A1 ILE 1210 HD13 -0.04 0.03 0.04 -0.04 0.88 0.87 2nv5A1 LEU 1211 H -0.02 0.15 -0.18 -0.55 8.37 7.77 2nv5A1 LEU 1211 HA -0.01 0.12 0.41 -0.75 4.35 4.11 2nv5A1 LEU 1211 HB2 -0.01 0.01 0.03 -0.04 1.64 1.62 2nv5A1 LEU 1211 HB3 -0.01 0.02 0.08 -0.04 1.64 1.68 2nv5A1 LEU 1211 HG -0.02 -0.01 0.04 -0.04 1.64 1.61 2nv5A1 LEU 1211 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 2nv5A1 LEU 1211 HD23 -0.01 0.01 -0.00 -0.04 0.89 0.85 2nv5A1 GLU 1212 H -0.01 0.39 -0.51 -0.55 8.60 7.92 2nv5A1 GLU 1212 HA 0.01 0.14 0.78 -0.75 4.29 4.46 2nv5A1 GLU 1212 HB2 -0.02 0.15 0.00 -0.04 2.09 2.19 2nv5A1 GLU 1212 HB3 0.01 -0.04 0.10 -0.04 1.99 2.01 2nv5A1 GLU 1212 HG2 -0.00 0.03 -0.10 -0.04 2.34 2.23 2nv5A1 GLU 1212 HG3 -0.01 -0.09 -0.14 -0.04 2.34 2.06 2nv5A1 LEU 1213 H 0.00 0.42 -0.24 -0.55 8.37 8.00 2nv5A1 LEU 1213 HA 0.05 0.03 0.25 -0.75 4.35 3.93 2nv5A1 LEU 1213 HB2 -0.01 0.09 0.10 -0.04 1.64 1.78 2nv5A1 LEU 1213 HB3 0.01 0.09 0.16 -0.04 1.64 1.86 2nv5A1 LEU 1213 HG 0.05 -0.05 -0.16 -0.04 1.64 1.45 2nv5A1 LEU 1213 HD13 0.08 -0.02 0.01 -0.04 0.93 0.95 2nv5A1 LEU 1213 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 2nv5A1 ALA 1214 H 0.02 0.22 -0.19 -0.55 8.40 7.91 2nv5A1 ALA 1214 HA 0.03 0.04 0.32 -0.75 4.34 3.98 2nv5A1 ALA 1214 HB3 0.01 0.04 0.04 -0.04 1.41 1.45 2nv5A1 ASP 1215 H 0.02 0.17 -0.27 -0.55 8.40 7.77 2nv5A1 ASP 1215 HA 0.00 0.02 0.43 -0.75 4.63 4.34 2nv5A1 ASP 1215 HB2 0.02 0.14 0.12 -0.04 2.71 2.96 2nv5A1 ASP 1215 HB3 0.01 0.01 -0.05 -0.04 2.70 2.63 2nv5A1 HIS 1216 H 0.11 0.61 -0.06 -0.55 8.41 8.53 2nv5A1 HIS 1216 HA -0.05 0.02 0.50 -0.75 4.63 4.36 2nv5A1 HIS 1216 HB2 -0.01 0.04 0.06 -0.04 3.26 3.31 2nv5A1 HIS 1216 HB3 -0.00 0.14 0.16 -0.04 3.20 3.45 2nv5A1 HIS 1216 HD2 0.09 -0.03 -0.11 -0.04 6.97 6.88 2nv5A1 HIS 1216 HE1 0.01 0.05 -0.04 -0.04 7.75 7.73 2nv5A1 ILE 1217 H 0.04 0.65 -0.10 -0.55 8.25 8.29 2nv5A1 ILE 1217 HA -0.35 -0.01 0.40 -0.75 4.18 3.47 2nv5A1 ILE 1217 HB 0.03 0.12 0.14 -0.04 1.89 2.14 2nv5A1 ILE 1217 HG12 0.21 -0.07 -0.01 -0.04 1.49 1.57 2nv5A1 ILE 1217 HG13 0.18 0.11 0.03 -0.04 1.21 1.49 2nv5A1 ILE 1217 HG23 0.10 -0.01 -0.16 -0.04 0.93 0.81 2nv5A1 ILE 1217 HD13 0.13 -0.02 -0.14 -0.04 0.88 0.82 2nv5A1 GLU 1218 H -0.03 0.67 0.04 -0.55 8.60 8.74 2nv5A1 GLU 1218 HA -0.02 -0.03 0.49 -0.75 4.29 3.97 2nv5A1 GLU 1218 HB2 -0.01 0.22 0.23 -0.04 2.09 2.49 2nv5A1 GLU 1218 HB3 -0.03 0.10 0.12 -0.04 1.99 2.14 2nv5A1 GLU 1218 HG2 -0.01 -0.06 0.02 -0.04 2.34 2.25 2nv5A1 GLU 1218 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.33 2nv5A1 ARG 1219 H -0.10 0.63 -0.20 -0.55 8.46 8.24 2nv5A1 ARG 1219 HA -0.07 -0.03 0.39 -0.75 4.34 3.88 2nv5A1 ARG 1219 HB2 -0.16 0.19 0.19 -0.04 1.90 2.08 2nv5A1 ARG 1219 HB3 -0.10 -0.05 0.02 -0.04 1.80 1.63 2nv5A1 ARG 1219 HG2 -0.04 -0.07 0.04 -0.04 1.67 1.56 2nv5A1 ARG 1219 HG3 -0.04 0.15 0.08 -0.04 1.67 1.81 2nv5A1 ARG 1219 HD2 -0.03 0.02 0.01 -0.04 3.22 3.17 2nv5A1 ARG 1219 HD3 -0.02 -0.04 -0.00 -0.04 3.22 3.12 2nv5A1 LEU 1220 H -0.39 0.48 -0.12 -0.55 8.37 7.80 2nv5A1 LEU 1220 HA -0.27 -0.03 0.49 -0.75 4.35 3.78 2nv5A1 LEU 1220 HB2 -1.29 0.11 0.11 -0.04 1.64 0.53 2nv5A1 LEU 1220 HB3 -1.39 -0.15 0.03 -0.04 1.64 0.09 2nv5A1 LEU 1220 HG -0.85 0.27 0.02 -0.04 1.64 1.04 2nv5A1 LEU 1220 HD13 -0.76 -0.02 -0.07 -0.04 0.93 0.04 2nv5A1 LEU 1220 HD23 -0.24 0.00 -0.18 -0.04 0.89 0.43 2nv5A1 LYS 1221 H -0.14 0.59 -0.20 -0.55 8.42 8.12 2nv5A1 LYS 1221 HA 0.19 -0.02 0.65 -0.75 4.32 4.38 2nv5A1 LYS 1221 HB2 0.02 0.15 0.15 -0.04 1.87 2.16 2nv5A1 LYS 1221 HB3 0.07 -0.11 0.07 -0.04 1.79 1.78 2nv5A1 LYS 1221 HG2 0.35 -0.07 -0.01 -0.04 1.46 1.68 2nv5A1 LYS 1221 HG3 0.17 0.16 -0.06 -0.04 1.46 1.68 2nv5A1 LYS 1221 HD2 0.07 0.01 -0.04 -0.04 1.69 1.69 2nv5A1 LYS 1221 HD3 0.09 -0.04 -0.01 -0.04 1.68 1.68 2nv5A1 LYS 1221 HE2 0.19 -0.03 -0.04 -0.04 2.99 3.08 2nv5A1 LYS 1221 HE3 0.17 -0.00 -0.10 -0.04 2.99 3.02 2nv5A1 ALA 1222 H -0.04 0.35 -0.29 -0.55 8.40 7.88 2nv5A1 ALA 1222 HA 0.00 -0.07 0.31 -0.75 4.34 3.83 2nv5A1 ALA 1222 HB3 -0.02 0.05 0.10 -0.04 1.41 1.51 2nv5A1 ASN 1223 H 0.01 0.10 0.20 -0.55 8.53 8.29 2nv5A1 ASN 1223 HA 0.01 0.01 0.38 -0.75 4.76 4.41 2nv5A1 ASN 1223 HB2 0.01 0.17 -0.08 -0.04 2.88 2.94 2nv5A1 ASN 1223 HB3 0.01 0.03 0.15 -0.04 2.79 2.94 2nv5A1 ASN 1223 HD21 -0.00 0.01 -0.04 -0.04 7.03 6.96 2nv5A1 ASN 1223 HD22 0.00 0.05 -0.09 -0.04 7.74 7.66 2nv5A1 ASP 1224 H 0.02 0.03 0.09 -0.55 8.40 8.00 2nv5A1 ASP 1224 HA 0.03 0.01 0.35 -0.75 4.63 4.26 2nv5A1 ASP 1224 HB2 0.01 -0.05 0.01 -0.04 2.71 2.64 2nv5A1 ASP 1224 HB3 0.02 0.12 0.09 -0.04 2.70 2.89 2nv5A1 ASN 1225 H 0.06 0.60 -0.10 -0.55 8.53 8.55 2nv5A1 ASN 1225 HA 0.16 0.14 0.38 -0.75 4.76 4.69 2nv5A1 ASN 1225 HB2 0.06 0.14 -0.14 -0.04 2.88 2.90 2nv5A1 ASN 1225 HB3 0.13 -0.12 0.17 -0.04 2.79 2.93 2nv5A1 ASN 1225 HD21 -0.01 -0.01 -0.05 -0.04 7.03 6.92 2nv5A1 ASN 1225 HD22 -0.01 0.01 -0.10 -0.04 7.74 7.60 2nv5A1 LEU 1226 H 0.05 0.44 -0.48 -0.55 8.37 7.83 2nv5A1 LEU 1226 HA 0.06 0.05 0.33 -0.75 4.35 4.04 2nv5A1 LEU 1226 HB2 0.03 0.25 0.17 -0.04 1.64 2.05 2nv5A1 LEU 1226 HB3 0.02 0.01 0.12 -0.04 1.64 1.75 2nv5A1 LEU 1226 HG 0.03 -0.05 -0.22 -0.04 1.64 1.35 2nv5A1 LEU 1226 HD13 0.03 -0.01 0.05 -0.04 0.93 0.96 2nv5A1 LEU 1226 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 2nv5A1 LYS 1227 H 0.02 0.29 -0.04 -0.55 8.42 8.14 2nv5A1 LYS 1227 HA 0.04 0.08 0.42 -0.75 4.32 4.10 2nv5A1 LYS 1227 HB2 -0.08 0.10 0.15 -0.04 1.87 2.00 2nv5A1 LYS 1227 HB3 -0.06 -0.02 0.01 -0.04 1.79 1.68 2nv5A1 LYS 1227 HG2 -0.00 -0.02 -0.02 -0.04 1.46 1.37 2nv5A1 LYS 1227 HG3 -0.02 0.07 0.04 -0.04 1.46 1.50 2nv5A1 LYS 1227 HD2 -0.07 0.02 -0.07 -0.04 1.69 1.53 2nv5A1 LYS 1227 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.58 2nv5A1 LYS 1227 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 2nv5A1 LYS 1227 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.90 2nv5A1 PHE 1228 H 0.11 0.49 -0.07 -0.55 8.34 8.31 2nv5A1 PHE 1228 HA 0.08 -0.00 0.48 -0.75 4.62 4.42 2nv5A1 PHE 1228 HB2 -0.00 0.22 0.09 -0.04 3.15 3.42 2nv5A1 PHE 1228 HB3 0.04 0.00 -0.06 -0.04 3.06 3.00 2nv5A1 PHE 1228 HD2 0.07 0.01 -0.09 -0.04 7.28 7.22 2nv5A1 PHE 1228 HE2 -0.62 0.00 -0.07 -0.04 7.38 6.66 2nv5A1 PHE 1228 HZ -0.57 -0.03 0.01 -0.04 7.32 6.69 2nv5A1 SER 1229 H 0.20 0.68 -0.16 -0.55 8.46 8.64 2nv5A1 SER 1229 HA 0.17 -0.06 0.41 -0.75 4.49 4.26 2nv5A1 SER 1229 HB2 0.08 -0.11 0.10 -0.04 3.95 3.98 2nv5A1 SER 1229 HB3 0.09 0.24 0.17 -0.04 3.93 4.39 2nv5A1 GLN 1230 H 0.12 0.36 -0.23 -0.55 8.47 8.17 2nv5A1 GLN 1230 HA 0.09 0.04 0.52 -0.75 4.36 4.25 2nv5A1 GLN 1230 HB2 0.07 0.05 0.22 -0.04 2.15 2.46 2nv5A1 GLN 1230 HB3 0.07 -0.02 0.00 -0.04 2.02 2.03 2nv5A1 GLN 1230 HG2 0.05 -0.04 0.03 -0.04 2.40 2.41 2nv5A1 GLN 1230 HG3 0.06 0.00 0.03 -0.04 2.39 2.45 2nv5A1 GLN 1230 HE21 0.02 -0.04 -0.03 -0.04 6.97 6.87 2nv5A1 GLN 1230 HE22 0.03 -0.02 -0.01 -0.04 7.69 7.65 2nv5A1 GLU 1231 H 0.18 0.59 -0.07 -0.55 8.60 8.76 2nv5A1 GLU 1231 HA 0.19 0.06 0.45 -0.75 4.29 4.23 2nv5A1 GLU 1231 HB2 0.20 0.05 0.12 -0.04 2.09 2.42 2nv5A1 GLU 1231 HB3 0.36 0.03 0.19 -0.04 1.99 2.53 2nv5A1 GLU 1231 HG2 0.49 -0.02 -0.20 -0.04 2.34 2.57 2nv5A1 GLU 1231 HG3 0.02 0.03 0.00 -0.04 2.34 2.35 2nv5A1 TYR 1232 H 0.26 0.65 -0.01 -0.55 8.29 8.65 2nv5A1 TYR 1232 HA -0.45 -0.02 0.28 -0.75 4.56 3.62 2nv5A1 TYR 1232 HB2 -0.23 -0.04 0.11 -0.04 3.06 2.85 2nv5A1 TYR 1232 HB3 -0.04 0.06 0.13 -0.04 2.98 3.08 2nv5A1 TYR 1232 HD2 -0.52 0.01 -0.07 -0.04 7.15 6.53 2nv5A1 TYR 1232 HE2 -0.03 0.05 -0.12 -0.04 6.85 6.71 2nv5A1 GLU 1233 H 0.09 0.41 -0.31 -0.55 8.60 8.25 2nv5A1 GLU 1233 HA -0.21 0.06 0.50 -0.75 4.29 3.88 2nv5A1 GLU 1233 HB2 0.05 0.09 0.10 -0.04 2.09 2.29 2nv5A1 GLU 1233 HB3 0.01 -0.05 0.10 -0.04 1.99 2.00 2nv5A1 GLU 1233 HG2 0.20 0.01 0.08 -0.04 2.34 2.60 2nv5A1 GLU 1233 HG3 0.09 -0.04 0.05 -0.04 2.34 2.40 2nv5A1 SER 1234 H 0.05 0.35 -0.32 -0.55 8.46 7.99 2nv5A1 SER 1234 HA 0.03 0.03 0.55 -0.75 4.49 4.35 2nv5A1 SER 1234 HB2 0.13 -0.10 0.09 -0.04 3.95 4.03 2nv5A1 SER 1234 HB3 0.11 0.06 0.14 -0.04 3.93 4.19 2nv5A1 ILE 1235 H -0.14 0.29 -0.41 -0.55 8.25 7.44 2nv5A1 ILE 1235 HA -0.23 -0.06 0.26 -0.75 4.18 3.39 2nv5A1 ILE 1235 HB -0.32 0.10 0.10 -0.04 1.89 1.73 2nv5A1 ILE 1235 HG12 -0.64 -0.08 -0.02 -0.04 1.49 0.72 2nv5A1 ILE 1235 HG13 -0.19 0.13 0.02 -0.04 1.21 1.13 2nv5A1 ILE 1235 HG23 -0.22 -0.03 -0.23 -0.04 0.93 0.41 2nv5A1 ILE 1235 HD13 -0.41 -0.00 0.01 -0.04 0.88 0.44 2nv5A1 ASP 1236 H -0.10 0.12 0.08 -0.55 8.40 7.96 2nv5A1 ASP 1236 HA -0.01 0.12 0.73 -0.75 4.63 4.71 2nv5A1 ASP 1236 HB2 -0.00 0.20 -0.32 -0.04 2.71 2.55 2nv5A1 ASP 1236 HB3 0.01 0.00 0.10 -0.04 2.70 2.77 2nv5A1 PRO 1237 HA 0.02 0.10 0.38 -0.51 4.44 4.43 2nv5A1 PRO 1237 HB2 0.18 -0.04 -0.07 -0.04 2.28 2.30 2nv5A1 PRO 1237 HB3 0.14 0.14 0.00 -0.04 2.02 2.25 2nv5A1 PRO 1237 HG2 0.21 -0.04 0.02 -0.04 2.03 2.19 2nv5A1 PRO 1237 HG3 0.24 0.16 -0.19 -0.04 2.03 2.21 2nv5A1 PRO 1237 HD2 0.05 0.13 0.20 -0.04 3.68 4.02 2nv5A1 PRO 1237 HD3 0.02 0.14 0.04 -0.04 3.65 3.82 2nv5A1 GLY 1238 H 0.01 0.05 -0.41 -0.55 8.43 7.53 2nv5A1 GLY 1238 HA2 -0.03 -0.01 0.22 -0.51 4.01 3.68 2nv5A1 GLY 1238 HA3 -0.02 0.10 0.36 -0.51 4.01 3.94 2nv5A1 GLN 1239 H -0.16 0.07 -0.22 -0.55 8.47 7.62 2nv5A1 GLN 1239 HA -0.25 0.19 0.88 -0.75 4.36 4.43 2nv5A1 GLN 1239 HB2 -0.72 0.07 -0.05 -0.04 2.15 1.41 2nv5A1 GLN 1239 HB3 -0.26 0.02 0.07 -0.04 2.02 1.80 2nv5A1 GLN 1239 HG2 -0.08 0.19 -0.44 -0.04 2.40 2.03 2nv5A1 GLN 1239 HG3 -0.06 -0.05 -0.13 -0.04 2.39 2.11 2nv5A1 GLN 1239 HE21 0.01 -0.05 -0.00 -0.04 6.97 6.89 2nv5A1 GLN 1239 HE22 -0.00 0.18 -0.01 -0.04 7.69 7.82 2nv5A1 GLN 1240 H -0.41 0.19 0.17 -0.55 8.47 7.88 2nv5A1 GLN 1240 HA -0.37 0.14 0.85 -0.75 4.36 4.23 2nv5A1 GLN 1240 HB2 -0.18 0.00 0.06 -0.04 2.15 1.99 2nv5A1 GLN 1240 HB3 -0.19 -0.01 0.02 -0.04 2.02 1.80 2nv5A1 GLN 1240 HG2 -0.09 -0.03 -0.00 -0.04 2.40 2.24 2nv5A1 GLN 1240 HG3 -0.07 0.03 0.10 -0.04 2.39 2.42 2nv5A1 GLN 1240 HE21 -0.00 -0.00 -0.00 -0.04 6.97 6.92 2nv5A1 GLN 1240 HE22 -0.02 -0.01 0.01 -0.04 7.69 7.63 2nv5A1 PHE 1241 H -0.01 0.20 0.18 -0.55 8.34 8.15 2nv5A1 PHE 1241 HA -0.11 0.18 0.89 -0.75 4.62 4.82 2nv5A1 PHE 1241 HB2 -0.07 -0.02 -0.04 -0.04 3.15 2.99 2nv5A1 PHE 1241 HB3 -0.37 -0.03 0.10 -0.04 3.06 2.72 2nv5A1 PHE 1241 HD2 -0.32 -0.05 -0.05 -0.04 7.28 6.83 2nv5A1 PHE 1241 HE2 -0.13 0.06 -0.02 -0.04 7.38 7.25 2nv5A1 PHE 1241 HZ -0.07 -0.02 -0.05 -0.04 7.32 7.14 2nv5A1 THR 1242 H 0.28 0.17 0.28 -0.55 8.28 8.46 2nv5A1 THR 1242 HA -0.40 0.25 0.73 -0.75 4.39 4.21 2nv5A1 THR 1242 HB -0.18 -0.08 0.17 -0.04 4.32 4.19 2nv5A1 THR 1242 HG23 -0.10 0.04 -0.13 -0.04 1.22 0.99 2nv5A1 TRP 1243 H -0.53 0.22 0.05 -0.55 7.97 7.17 2nv5A1 TRP 1243 HA 0.17 0.16 0.70 -0.75 4.62 4.91 2nv5A1 TRP 1243 HB2 0.11 -0.01 0.08 -0.04 3.23 3.37 2nv5A1 TRP 1243 HB3 0.23 0.09 -0.21 -0.04 3.23 3.29 2nv5A1 TRP 1243 HD1 0.05 -0.01 -0.04 -0.04 7.22 7.18 2nv5A1 TRP 1243 HE1 0.06 0.05 -0.07 -0.04 10.20 10.20 2nv5A1 TRP 1243 HE3 0.28 -0.04 -0.54 -0.04 7.59 7.24 2nv5A1 TRP 1243 HZ2 0.07 0.02 -0.04 -0.04 7.44 7.45 2nv5A1 TRP 1243 HZ3 0.16 0.02 -0.14 -0.04 7.13 7.13 2nv5A1 TRP 1243 HH2 0.09 0.03 -0.03 -0.04 7.19 7.24 2nv5A1 GLU 1244 H -0.05 0.13 0.08 -0.55 8.60 8.22 2nv5A1 GLU 1244 HA -0.15 0.14 0.47 -0.75 4.29 4.00 2nv5A1 GLU 1244 HB2 -0.17 -0.00 0.14 -0.04 2.09 2.02 2nv5A1 GLU 1244 HB3 -0.23 0.07 0.03 -0.04 1.99 1.82 2nv5A1 GLU 1244 HG2 -0.19 0.08 0.05 -0.04 2.34 2.23 2nv5A1 GLU 1244 HG3 -0.28 -0.15 0.07 -0.04 2.34 1.95 2nv5A1 HIS 1245 H 0.08 0.10 -0.09 -0.55 8.41 7.95 2nv5A1 HIS 1245 HA -0.03 0.06 0.44 -0.75 4.63 4.35 2nv5A1 HIS 1245 HB2 0.19 0.05 0.06 -0.04 3.26 3.51 2nv5A1 HIS 1245 HB3 0.15 0.07 -0.03 -0.04 3.20 3.34 2nv5A1 HIS 1245 HD2 0.10 -0.02 0.04 -0.04 6.97 7.04 2nv5A1 HIS 1245 HE1 0.04 -0.00 -0.02 -0.04 7.75 7.72 2nv5A1 SER 1246 H 0.21 0.10 -0.28 -0.55 8.46 7.95 2nv5A1 SER 1246 HA -0.39 0.10 0.30 -0.75 4.49 3.74 2nv5A1 SER 1246 HB2 0.29 0.10 0.07 -0.04 3.95 4.37 2nv5A1 SER 1246 HB3 0.15 0.08 0.02 -0.04 3.93 4.13 2nv5A1 ASN 1247 H 0.04 0.22 -0.53 -0.55 8.53 7.71 2nv5A1 ASN 1247 HA 0.05 0.16 0.50 -0.75 4.76 4.72 2nv5A1 ASN 1247 HB2 0.07 0.06 0.08 -0.04 2.88 3.05 2nv5A1 ASN 1247 HB3 0.04 -0.07 0.04 -0.04 2.79 2.76 2nv5A1 ASN 1247 HD21 0.56 -0.01 -0.05 -0.04 7.03 7.49 2nv5A1 ASN 1247 HD22 0.13 -0.06 -0.05 -0.04 7.74 7.72 2nv5A1 LEU 1248 H -0.09 0.31 -0.24 -0.55 8.37 7.81 2nv5A1 LEU 1248 HA -0.05 0.03 0.57 -0.75 4.35 4.15 2nv5A1 LEU 1248 HB2 -0.10 0.15 0.13 -0.04 1.64 1.78 2nv5A1 LEU 1248 HB3 -0.05 -0.16 0.01 -0.04 1.64 1.41 2nv5A1 LEU 1248 HG -0.11 0.18 0.09 -0.04 1.64 1.76 2nv5A1 LEU 1248 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 2nv5A1 LEU 1248 HD23 -0.07 -0.01 0.03 -0.04 0.89 0.81 2nv5A1 GLU 1249 H -0.03 0.13 0.20 -0.55 8.60 8.35 2nv5A1 GLU 1249 HA -0.02 0.13 0.37 -0.75 4.29 4.01 2nv5A1 GLU 1249 HB2 -0.01 0.03 0.17 -0.04 2.09 2.23 2nv5A1 GLU 1249 HB3 -0.02 -0.05 0.13 -0.04 1.99 2.01 2nv5A1 GLU 1249 HG2 -0.01 0.03 -0.19 -0.04 2.34 2.12 2nv5A1 GLU 1249 HG3 -0.01 0.02 0.07 -0.04 2.34 2.38 2nv5A1 VAL 1250 H -0.03 0.01 -0.23 -0.55 8.24 7.45 2nv5A1 VAL 1250 HA -0.01 0.09 0.30 -0.75 4.13 3.75 2nv5A1 VAL 1250 HB 0.00 0.10 -0.13 -0.04 2.12 2.05 2nv5A1 VAL 1250 HG13 0.00 0.01 -0.02 -0.04 0.97 0.93 2nv5A1 VAL 1250 HG23 -0.01 -0.03 -0.14 -0.04 0.95 0.72 2nv5A1 ASN 1251 H -0.09 0.32 -0.41 -0.55 8.53 7.82 2nv5A1 ASN 1251 HA -0.06 0.15 0.72 -0.75 4.76 4.82 2nv5A1 ASN 1251 HB2 -0.35 0.13 0.02 -0.04 2.88 2.63 2nv5A1 ASN 1251 HB3 -0.91 -0.04 -0.01 -0.04 2.79 1.78 2nv5A1 ASN 1251 HD21 0.01 -0.14 0.03 -0.04 7.03 6.88 2nv5A1 ASN 1251 HD22 -0.31 0.47 0.10 -0.04 7.74 7.95 2nv5A1 LYS 1252 H -0.06 0.36 -0.14 -0.55 8.42 8.03 2nv5A1 LYS 1252 HA -0.02 0.10 0.45 -0.75 4.32 4.10 2nv5A1 LYS 1252 HB2 -0.02 0.13 0.12 -0.04 1.87 2.06 2nv5A1 LYS 1252 HB3 -0.01 -0.08 -0.01 -0.04 1.79 1.65 2nv5A1 LYS 1252 HG2 0.01 -0.03 0.03 -0.04 1.46 1.42 2nv5A1 LYS 1252 HG3 -0.02 0.12 -0.16 -0.04 1.46 1.35 2nv5A1 LYS 1252 HD2 -0.01 -0.05 -0.05 -0.04 1.69 1.55 2nv5A1 LYS 1252 HD3 0.00 -0.06 -0.01 -0.04 1.68 1.57 2nv5A1 LYS 1252 HE2 0.03 -0.06 -0.00 -0.04 2.99 2.92 2nv5A1 LYS 1252 HE3 0.02 0.22 0.00 -0.04 2.99 3.19 2nv5A1 PRO 1253 HA -0.02 0.09 0.43 -0.51 4.44 4.43 2nv5A1 PRO 1253 HB2 -0.02 0.01 -0.10 -0.04 2.28 2.13 2nv5A1 PRO 1253 HB3 -0.02 -0.04 0.08 -0.04 2.02 2.00 2nv5A1 PRO 1253 HG2 -0.01 0.08 -0.01 -0.04 2.03 2.04 2nv5A1 PRO 1253 HG3 -0.02 -0.02 0.02 -0.04 2.03 1.97 2nv5A1 PRO 1253 HD2 -0.02 0.18 -0.44 -0.04 3.68 3.36 2nv5A1 PRO 1253 HD3 -0.02 0.14 0.06 -0.04 3.65 3.79 2nv5A1 LYS 1254 H 0.02 0.51 -0.71 -0.55 8.42 7.69 2nv5A1 LYS 1254 HA 0.03 -0.01 0.53 -0.75 4.32 4.11 2nv5A1 LYS 1254 HB2 0.22 0.26 0.07 -0.04 1.87 2.38 2nv5A1 LYS 1254 HB3 0.19 -0.13 0.08 -0.04 1.79 1.89 2nv5A1 LYS 1254 HG2 0.06 -0.08 -0.08 -0.04 1.46 1.33 2nv5A1 LYS 1254 HG3 0.05 0.03 -0.06 -0.04 1.46 1.44 2nv5A1 LYS 1254 HD2 0.24 -0.05 0.00 -0.04 1.69 1.85 2nv5A1 LYS 1254 HD3 0.20 0.05 -0.00 -0.04 1.68 1.88 2nv5A1 LYS 1254 HE2 0.06 -0.07 -0.03 -0.04 2.99 2.91 2nv5A1 LYS 1254 HE3 0.04 0.27 0.01 -0.04 2.99 3.28 2nv5A1 ASN 1255 H 0.04 0.48 -0.27 -0.55 8.53 8.23 2nv5A1 ASN 1255 HA 0.07 0.05 0.82 -0.75 4.76 4.94 2nv5A1 ASN 1255 HB2 0.04 0.07 0.03 -0.04 2.88 2.97 2nv5A1 ASN 1255 HB3 0.06 0.09 -0.14 -0.04 2.79 2.76 2nv5A1 ASN 1255 HD21 0.02 0.17 0.03 -0.04 7.03 7.21 2nv5A1 ASN 1255 HD22 0.03 -0.06 0.04 -0.04 7.74 7.71 2nv5A1 ARG 1256 H 0.01 0.16 0.11 -0.55 8.46 8.18 2nv5A1 ARG 1256 HA -0.14 0.08 0.43 -0.75 4.34 3.96 2nv5A1 ARG 1256 HB2 -0.06 0.12 0.10 -0.04 1.90 2.03 2nv5A1 ARG 1256 HB3 0.05 -0.08 0.16 -0.04 1.80 1.89 2nv5A1 ARG 1256 HG2 -0.77 -0.09 -0.23 -0.04 1.67 0.54 2nv5A1 ARG 1256 HG3 -0.26 -0.03 0.01 -0.04 1.67 1.35 2nv5A1 ARG 1256 HD2 0.14 0.16 0.06 -0.04 3.22 3.54 2nv5A1 ARG 1256 HD3 0.03 -0.05 -0.03 -0.04 3.22 3.13 2nv5A1 TYR 1257 H 0.12 0.18 -0.03 -0.55 8.29 8.02 2nv5A1 TYR 1257 HA -0.02 0.16 0.78 -0.75 4.56 4.73 2nv5A1 TYR 1257 HB2 -0.02 0.03 0.14 -0.04 3.06 3.17 2nv5A1 TYR 1257 HB3 -0.03 -0.09 -0.00 -0.04 2.98 2.82 2nv5A1 TYR 1257 HD2 -0.03 -0.00 -0.02 -0.04 7.15 7.05 2nv5A1 TYR 1257 HE2 -0.03 0.01 -0.11 -0.04 6.85 6.68 2nv5A1 ALA 1258 H 0.04 0.21 0.04 -0.55 8.40 8.14 2nv5A1 ALA 1258 HA 0.04 0.18 0.29 -0.75 4.34 4.09 2nv5A1 ALA 1258 HB3 0.03 0.02 0.05 -0.04 1.41 1.47 2nv5A1 ASN 1259 H 0.09 -0.01 -0.42 -0.55 8.53 7.64 2nv5A1 ASN 1259 HA 0.02 0.17 0.51 -0.75 4.76 4.70 2nv5A1 ASN 1259 HB2 -0.00 0.02 0.08 -0.04 2.88 2.93 2nv5A1 ASN 1259 HB3 0.02 0.01 -0.00 -0.04 2.79 2.77 2nv5A1 ASN 1259 HD21 -0.07 -0.01 -0.05 -0.04 7.03 6.86 2nv5A1 ASN 1259 HD22 -0.11 0.03 -0.04 -0.04 7.74 7.58 2nv5A1 VAL 1260 H 0.10 0.51 -0.47 -0.55 8.24 7.83 2nv5A1 VAL 1260 HA 0.15 0.14 0.89 -0.75 4.13 4.55 2nv5A1 VAL 1260 HB 0.10 -0.04 0.18 -0.04 2.12 2.32 2nv5A1 VAL 1260 HG13 0.01 0.02 -0.10 -0.04 0.97 0.86 2nv5A1 VAL 1260 HG23 -0.03 -0.05 -0.15 -0.04 0.95 0.67 2nv5A1 ILE 1261 H -0.20 0.12 -0.03 -0.55 8.25 7.59 2nv5A1 ILE 1261 HA 0.01 0.26 0.83 -0.75 4.18 4.53 2nv5A1 ILE 1261 HB 0.06 -0.11 0.06 -0.04 1.89 1.86 2nv5A1 ILE 1261 HG12 -0.67 -0.00 -0.11 -0.04 1.49 0.67 2nv5A1 ILE 1261 HG13 -0.42 0.03 -0.10 -0.04 1.21 0.69 2nv5A1 ILE 1261 HG23 0.01 0.03 -0.22 -0.04 0.93 0.70 2nv5A1 ILE 1261 HD13 -0.35 -0.02 -0.38 -0.04 0.88 0.09 2nv5A1 ALA 1262 H 0.11 0.14 0.10 -0.55 8.40 8.21 2nv5A1 ALA 1262 HA -0.18 0.18 0.87 -0.75 4.34 4.46 2nv5A1 ALA 1262 HB3 0.00 0.03 0.08 -0.04 1.41 1.47 2nv5A1 TYR 1263 H -0.29 0.20 0.09 -0.55 8.29 7.74 2nv5A1 TYR 1263 HA 0.24 0.12 0.60 -0.75 4.56 4.77 2nv5A1 TYR 1263 HB2 -0.15 0.16 0.08 -0.04 3.06 3.12 2nv5A1 TYR 1263 HB3 0.26 -0.10 0.07 -0.04 2.98 3.17 2nv5A1 TYR 1263 HD2 -0.08 0.08 -0.33 -0.04 7.15 6.78 2nv5A1 TYR 1263 HE2 -0.54 0.16 -0.22 -0.04 6.85 6.20 2nv5A1 ASP 1264 H 0.39 0.53 0.38 -0.55 8.40 9.16 2nv5A1 ASP 1264 HA 0.23 0.10 0.32 -0.75 4.63 4.52 2nv5A1 ASP 1264 HB2 0.23 -0.03 0.13 -0.04 2.71 3.00 2nv5A1 ASP 1264 HB3 0.23 0.09 0.01 -0.04 2.70 2.98 2nv5A1 HIS 1265 H 0.40 0.04 -0.08 -0.55 8.41 8.23 2nv5A1 HIS 1265 HA 0.11 0.07 0.30 -0.75 4.63 4.36 2nv5A1 HIS 1265 HB2 0.10 0.04 0.12 -0.04 3.26 3.49 2nv5A1 HIS 1265 HB3 0.13 -0.10 0.14 -0.04 3.20 3.33 2nv5A1 HIS 1265 HD2 0.12 -0.03 -0.10 -0.04 6.97 6.92 2nv5A1 HIS 1265 HE1 -0.00 0.04 0.02 -0.04 7.75 7.77 2nv5A1 SER 1266 H -0.29 0.16 -0.28 -0.55 8.46 7.50 2nv5A1 SER 1266 HA 0.00 0.19 0.90 -0.75 4.49 4.83 2nv5A1 SER 1266 HB2 -0.06 0.06 0.26 -0.04 3.95 4.17 2nv5A1 SER 1266 HB3 -0.47 -0.05 0.04 -0.04 3.93 3.41 2nv5A1 ARG 1267 H 0.00 0.16 -0.10 -0.55 8.46 7.97 2nv5A1 ARG 1267 HA -0.12 0.12 0.66 -0.75 4.34 4.24 2nv5A1 ARG 1267 HB2 -0.07 0.09 0.19 -0.04 1.90 2.06 2nv5A1 ARG 1267 HB3 0.03 0.05 -0.00 -0.04 1.80 1.84 2nv5A1 ARG 1267 HG2 0.03 0.15 0.05 -0.04 1.67 1.87 2nv5A1 ARG 1267 HG3 -0.04 0.05 -0.39 -0.04 1.67 1.25 2nv5A1 ARG 1267 HD2 0.09 0.02 -0.03 -0.04 3.22 3.27 2nv5A1 ARG 1267 HD3 0.18 -0.14 -0.03 -0.04 3.22 3.18 2nv5A1 VAL 1268 H -0.28 0.41 0.19 -0.55 8.24 8.00 2nv5A1 VAL 1268 HA -0.32 0.08 0.65 -0.75 4.13 3.78 2nv5A1 VAL 1268 HB -0.31 -0.04 -0.01 -0.04 2.12 1.72 2nv5A1 VAL 1268 HG13 -0.19 0.01 -0.19 -0.04 0.97 0.55 2nv5A1 VAL 1268 HG23 -0.92 -0.01 -0.22 -0.04 0.95 -0.24 2nv5A1 LEU 1269 H 0.02 0.15 0.13 -0.55 8.37 8.12 2nv5A1 LEU 1269 HA -0.06 0.27 0.98 -0.75 4.35 4.78 2nv5A1 LEU 1269 HB2 0.03 -0.04 0.08 -0.04 1.64 1.67 2nv5A1 LEU 1269 HB3 -0.00 0.05 -0.07 -0.04 1.64 1.58 2nv5A1 LEU 1269 HG -0.07 0.03 -0.06 -0.04 1.64 1.50 2nv5A1 LEU 1269 HD13 0.02 0.01 -0.11 -0.04 0.93 0.81 2nv5A1 LEU 1269 HD23 -0.04 -0.03 -0.02 -0.04 0.89 0.76 2nv5A1 LEU 1270 H -0.03 0.71 0.20 -0.55 8.37 8.70 2nv5A1 LEU 1270 HA 0.01 0.10 0.74 -0.75 4.35 4.45 2nv5A1 LEU 1270 HB2 0.01 0.06 -0.01 -0.04 1.64 1.66 2nv5A1 LEU 1270 HB3 0.02 -0.02 -0.00 -0.04 1.64 1.60 2nv5A1 LEU 1270 HG -0.05 0.02 -0.32 -0.04 1.64 1.24 2nv5A1 LEU 1270 HD13 0.01 0.00 -0.09 -0.04 0.93 0.80 2nv5A1 LEU 1270 HD23 -0.03 -0.00 -0.17 -0.04 0.89 0.65 2nv5A1 SER 1271 H 0.04 0.11 0.04 -0.55 8.46 8.11 2nv5A1 SER 1271 HA 0.03 0.02 0.50 -0.75 4.49 4.28 2nv5A1 SER 1271 HB2 0.04 0.02 0.02 -0.04 3.95 3.99 2nv5A1 SER 1271 HB3 0.05 0.03 0.08 -0.04 3.93 4.05 2nv5A1 ALA 1272 H 0.03 0.06 0.10 -0.55 8.40 8.04 2nv5A1 ALA 1272 HA 0.03 0.02 0.26 -0.75 4.34 3.89 2nv5A1 ALA 1272 HB3 0.03 -0.00 -0.01 -0.04 1.41 1.38 2nv5A1 ILE 1273 H 0.03 0.13 0.11 -0.55 8.25 7.97 2nv5A1 ILE 1273 HA 0.02 0.17 0.89 -0.75 4.18 4.50 2nv5A1 ILE 1273 HB 0.02 -0.02 0.12 -0.04 1.89 1.96 2nv5A1 ILE 1273 HG12 0.01 0.01 -0.03 -0.04 1.49 1.45 2nv5A1 ILE 1273 HG13 0.02 0.10 -0.18 -0.04 1.21 1.11 2nv5A1 ILE 1273 HG23 0.01 0.03 -0.07 -0.04 0.93 0.86 2nv5A1 ILE 1273 HD13 0.02 -0.01 -0.01 -0.04 0.88 0.85 2nv5A1 GLU 1274 H 0.01 0.18 0.07 -0.55 8.60 8.32 2nv5A1 GLU 1274 HA 0.02 -0.02 0.33 -0.75 4.29 3.87 2nv5A1 GLU 1274 HB2 0.01 0.03 0.08 -0.04 2.09 2.18 2nv5A1 GLU 1274 HB3 0.01 0.01 0.14 -0.04 1.99 2.11 2nv5A1 GLU 1274 HG2 0.01 0.01 -0.07 -0.04 2.34 2.25 2nv5A1 GLU 1274 HG3 0.01 0.04 -0.35 -0.04 2.34 2.01 2nv5A1 GLY 1275 H 0.02 0.09 0.15 -0.55 8.43 8.14 2nv5A1 GLY 1275 HA2 0.01 -0.03 0.34 -0.51 4.01 3.82 2nv5A1 GLY 1275 HA3 0.01 0.11 0.48 -0.51 4.01 4.09 2nv5A1 ILE 1276 H 0.02 0.51 -0.35 -0.55 8.25 7.88 2nv5A1 ILE 1276 HA 0.02 0.25 0.99 -0.75 4.18 4.69 2nv5A1 ILE 1276 HB 0.02 -0.08 0.13 -0.04 1.89 1.92 2nv5A1 ILE 1276 HG12 0.01 0.10 -0.27 -0.04 1.49 1.29 2nv5A1 ILE 1276 HG13 0.02 0.05 -0.33 -0.04 1.21 0.91 2nv5A1 ILE 1276 HG23 0.02 0.02 -0.07 -0.04 0.93 0.87 2nv5A1 ILE 1276 HD13 0.02 -0.01 -0.04 -0.04 0.88 0.80 2nv5A1 PRO 1277 HA 0.03 -0.01 0.52 -0.51 4.44 4.47 2nv5A1 PRO 1277 HB2 0.02 0.03 0.02 -0.04 2.28 2.30 2nv5A1 PRO 1277 HB3 0.02 -0.00 0.10 -0.04 2.02 2.10 2nv5A1 PRO 1277 HG2 0.01 0.05 0.05 -0.04 2.03 2.10 2nv5A1 PRO 1277 HG3 0.01 0.02 0.01 -0.04 2.03 2.03 2nv5A1 PRO 1277 HD2 0.01 0.12 0.17 -0.04 3.68 3.94 2nv5A1 PRO 1277 HD3 0.01 0.30 -0.16 -0.04 3.65 3.76 2nv5A1 GLY 1278 H 0.05 0.10 0.18 -0.55 8.43 8.21 2nv5A1 GLY 1278 HA2 0.08 -0.02 0.34 -0.51 4.01 3.91 2nv5A1 GLY 1278 HA3 0.05 0.15 0.41 -0.51 4.01 4.10 2nv5A1 SER 1279 H 0.05 0.37 -0.38 -0.55 8.46 7.95 2nv5A1 SER 1279 HA 0.06 0.13 0.35 -0.75 4.49 4.27 2nv5A1 SER 1279 HB2 0.03 0.03 0.15 -0.04 3.95 4.12 2nv5A1 SER 1279 HB3 0.03 0.06 0.10 -0.04 3.93 4.09 2nv5A1 ASP 1280 H 0.06 -0.07 -0.42 -0.55 8.40 7.43 2nv5A1 ASP 1280 HA 0.02 0.29 0.47 -0.75 4.63 4.66 2nv5A1 ASP 1280 HB2 -0.01 0.16 0.15 -0.04 2.71 2.97 2nv5A1 ASP 1280 HB3 0.02 -0.13 -0.01 -0.04 2.70 2.54 2nv5A1 TYR 1281 H 0.15 0.42 -0.32 -0.55 8.29 7.98 2nv5A1 TYR 1281 HA -0.04 0.13 0.46 -0.75 4.56 4.36 2nv5A1 TYR 1281 HB2 0.03 -0.14 -0.02 -0.04 3.06 2.88 2nv5A1 TYR 1281 HB3 0.02 0.13 0.09 -0.04 2.98 3.18 2nv5A1 TYR 1281 HD2 0.03 -0.03 -0.19 -0.04 7.15 6.92 2nv5A1 TYR 1281 HE2 0.04 -0.02 -0.19 -0.04 6.85 6.64 2nv5A1 VAL 1282 H -0.55 0.39 0.26 -0.55 8.24 7.78 2nv5A1 VAL 1282 HA -0.35 0.09 0.45 -0.75 4.13 3.57 2nv5A1 VAL 1282 HB -0.15 0.05 -0.10 -0.04 2.12 1.88 2nv5A1 VAL 1282 HG13 -0.22 0.02 -0.09 -0.04 0.97 0.63 2nv5A1 VAL 1282 HG23 -0.14 -0.01 -0.18 -0.04 0.95 0.57 2nv5A1 ASN 1283 H -0.27 0.20 0.05 -0.55 8.53 7.96 2nv5A1 ASN 1283 HA -0.27 0.05 0.69 -0.75 4.76 4.48 2nv5A1 ASN 1283 HB2 0.06 0.08 0.11 -0.04 2.88 3.08 2nv5A1 ASN 1283 HB3 -0.05 -0.06 0.26 -0.04 2.79 2.91 2nv5A1 ASN 1283 HD21 0.04 0.56 0.17 -0.04 7.03 7.75 2nv5A1 ASN 1283 HD22 0.10 -0.07 0.11 -0.04 7.74 7.83 2nv5A1 ALA 1284 H -0.22 0.40 0.26 -0.55 8.40 8.30 2nv5A1 ALA 1284 HA -0.14 0.28 0.87 -0.75 4.34 4.60 2nv5A1 ALA 1284 HB3 -0.20 0.01 -0.25 -0.04 1.41 0.92 2nv5A1 ASN 1285 H -0.14 0.62 0.34 -0.55 8.53 8.81 2nv5A1 ASN 1285 HA -0.21 0.13 0.93 -0.75 4.76 4.85 2nv5A1 ASN 1285 HB2 -0.10 -0.10 -0.01 -0.04 2.88 2.63 2nv5A1 ASN 1285 HB3 -0.08 0.23 0.02 -0.04 2.79 2.92 2nv5A1 ASN 1285 HD21 -0.08 -0.27 0.01 -0.04 7.03 6.66 2nv5A1 ASN 1285 HD22 -0.10 -0.01 -0.29 -0.04 7.74 7.30 2nv5A1 TYR 1286 H -0.08 0.63 0.28 -0.55 8.29 8.56 2nv5A1 TYR 1286 HA 0.02 0.22 0.78 -0.75 4.56 4.83 2nv5A1 TYR 1286 HB2 -0.01 0.01 0.16 -0.04 3.06 3.18 2nv5A1 TYR 1286 HB3 0.01 -0.10 0.04 -0.04 2.98 2.89 2nv5A1 TYR 1286 HD2 -0.02 0.13 -0.03 -0.04 7.15 7.19 2nv5A1 TYR 1286 HE2 -0.02 0.04 -0.01 -0.04 6.85 6.81 2nv5A1 ILE 1287 H 0.23 0.66 0.27 -0.55 8.25 8.87 2nv5A1 ILE 1287 HA 0.11 0.18 0.92 -0.75 4.18 4.64 2nv5A1 ILE 1287 HB 0.26 -0.08 -0.04 -0.04 1.89 2.00 2nv5A1 ILE 1287 HG12 0.07 0.07 -0.31 -0.04 1.49 1.29 2nv5A1 ILE 1287 HG13 0.04 -0.08 -0.14 -0.04 1.21 0.99 2nv5A1 ILE 1287 HG23 0.10 0.05 -0.06 -0.04 0.93 0.98 2nv5A1 ILE 1287 HD13 0.00 0.07 -0.20 -0.04 0.88 0.71 2nv5A1 ASP 1288 H 0.11 0.17 0.13 -0.55 8.40 8.26 2nv5A1 ASP 1288 HA 0.11 -0.16 0.68 -0.75 4.63 4.51 2nv5A1 ASP 1288 HB2 0.10 -0.02 0.12 -0.04 2.71 2.87 2nv5A1 ASP 1288 HB3 0.11 0.26 0.20 -0.04 2.70 3.23 2nv5A1 GLY 1289 H 0.10 0.24 0.08 -0.55 8.43 8.31 2nv5A1 GLY 1289 HA2 0.45 0.19 0.77 -0.51 4.01 4.91 2nv5A1 GLY 1289 HA3 0.18 0.05 0.32 -0.51 4.01 4.05 2nv5A1 TYR 1290 H 0.19 0.15 0.10 -0.55 8.29 8.18 2nv5A1 TYR 1290 HA 0.03 0.06 0.64 -0.75 4.56 4.53 2nv5A1 TYR 1290 HB2 -0.09 0.02 0.10 -0.04 3.06 3.06 2nv5A1 TYR 1290 HB3 -0.04 0.02 0.17 -0.04 2.98 3.09 2nv5A1 TYR 1290 HD2 -0.03 -0.01 -0.11 -0.04 7.15 6.97 2nv5A1 TYR 1290 HE2 0.01 0.02 -0.07 -0.04 6.85 6.77 2nv5A1 ARG 1291 H -0.29 0.14 0.14 -0.55 8.46 7.90 2nv5A1 ARG 1291 HA -0.20 0.00 0.26 -0.75 4.34 3.64 2nv5A1 ARG 1291 HB2 -0.51 0.10 -0.20 -0.04 1.90 1.25 2nv5A1 ARG 1291 HB3 -0.26 0.01 0.18 -0.04 1.80 1.70 2nv5A1 ARG 1291 HG2 -0.29 0.00 0.03 -0.04 1.67 1.38 2nv5A1 ARG 1291 HG3 -0.84 -0.07 -0.02 -0.04 1.67 0.70 2nv5A1 ARG 1291 HD2 -0.20 0.00 -0.01 -0.04 3.22 2.97 2nv5A1 ARG 1291 HD3 -0.28 -0.01 -0.04 -0.04 3.22 2.85 2nv5A1 LYS 1292 H -0.03 0.29 -0.50 -0.55 8.42 7.63 2nv5A1 LYS 1292 HA -0.06 0.20 0.74 -0.75 4.32 4.43 2nv5A1 LYS 1292 HB2 -0.03 -0.26 -0.14 -0.04 1.87 1.41 2nv5A1 LYS 1292 HB3 -0.08 0.08 -0.08 -0.04 1.79 1.66 2nv5A1 LYS 1292 HG2 -0.07 0.07 -0.03 -0.04 1.46 1.38 2nv5A1 LYS 1292 HG3 -0.06 0.23 -0.47 -0.04 1.46 1.12 2nv5A1 LYS 1292 HD2 -0.03 -0.16 -0.06 -0.04 1.69 1.40 2nv5A1 LYS 1292 HD3 -0.11 0.03 -0.05 -0.04 1.68 1.50 2nv5A1 LYS 1292 HE2 -0.05 0.04 -0.02 -0.04 2.99 2.92 2nv5A1 LYS 1292 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2nv5A1 GLN 1293 H -0.05 0.27 0.08 -0.55 8.47 8.22 2nv5A1 GLN 1293 HA -0.01 0.07 0.75 -0.75 4.36 4.41 2nv5A1 GLN 1293 HB2 -0.06 0.06 0.10 -0.04 2.15 2.21 2nv5A1 GLN 1293 HB3 -0.05 0.05 -0.02 -0.04 2.02 1.95 2nv5A1 GLN 1293 HG2 -0.03 0.03 -0.03 -0.04 2.40 2.32 2nv5A1 GLN 1293 HG3 -0.02 0.01 -0.07 -0.04 2.39 2.26 2nv5A1 GLN 1293 HE21 -0.06 0.08 -0.35 -0.04 6.97 6.60 2nv5A1 GLN 1293 HE22 -0.03 0.01 -0.30 -0.04 7.69 7.34 2nv5A1 ASN 1294 H 0.01 0.09 0.02 -0.55 8.53 8.11 2nv5A1 ASN 1294 HA 0.07 0.00 0.12 -0.75 4.76 4.19 2nv5A1 ASN 1294 HB2 -0.19 0.16 -0.19 -0.04 2.88 2.62 2nv5A1 ASN 1294 HB3 -0.32 0.04 0.14 -0.04 2.79 2.61 2nv5A1 ASN 1294 HD21 -0.19 0.00 -0.06 -0.04 7.03 6.74 2nv5A1 ASN 1294 HD22 -0.27 0.05 -0.11 -0.04 7.74 7.36 2nv5A1 ALA 1295 H -0.01 -0.00 -0.18 -0.55 8.40 7.67 2nv5A1 ALA 1295 HA -0.16 0.17 0.18 -0.75 4.34 3.78 2nv5A1 ALA 1295 HB3 -0.38 -0.03 -0.09 -0.04 1.41 0.87 2nv5A1 TYR 1296 H 0.14 0.37 -0.05 -0.55 8.29 8.20 2nv5A1 TYR 1296 HA 0.07 0.27 0.97 -0.75 4.56 5.12 2nv5A1 TYR 1296 HB2 0.09 -0.09 -0.14 -0.04 3.06 2.88 2nv5A1 TYR 1296 HB3 0.09 0.05 -0.03 -0.04 2.98 3.05 2nv5A1 TYR 1296 HD2 0.15 0.09 -0.22 -0.04 7.15 7.13 2nv5A1 TYR 1296 HE2 0.18 -0.01 -0.11 -0.04 6.85 6.87 2nv5A1 ILE 1297 H 0.14 0.66 0.13 -0.55 8.25 8.64 2nv5A1 ILE 1297 HA 0.02 0.26 0.78 -0.75 4.18 4.48 2nv5A1 ILE 1297 HB -0.02 -0.03 -0.02 -0.04 1.89 1.77 2nv5A1 ILE 1297 HG12 -0.33 -0.02 -0.16 -0.04 1.49 0.94 2nv5A1 ILE 1297 HG13 0.11 0.03 -0.41 -0.04 1.21 0.90 2nv5A1 ILE 1297 HG23 -0.14 -0.02 -0.29 -0.04 0.93 0.43 2nv5A1 ILE 1297 HD13 -0.02 0.02 -0.16 -0.04 0.88 0.67 2nv5A1 ALA 1298 H -0.01 0.64 0.20 -0.55 8.40 8.69 2nv5A1 ALA 1298 HA 0.00 0.20 0.97 -0.75 4.34 4.76 2nv5A1 ALA 1298 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2nv5A1 THR 1299 H 0.01 0.53 0.40 -0.55 8.28 8.68 2nv5A1 THR 1299 HA -0.06 0.21 0.91 -0.75 4.39 4.70 2nv5A1 THR 1299 HB -0.06 -0.05 -0.34 -0.04 4.32 3.82 2nv5A1 THR 1299 HG23 0.07 0.04 -0.20 -0.04 1.22 1.08 2nv5A1 GLN 1300 H -0.05 0.37 0.13 -0.55 8.47 8.38 2nv5A1 GLN 1300 HA 0.01 -0.24 -0.00 -0.75 4.36 3.37 2nv5A1 GLN 1300 HB2 0.02 0.17 0.19 -0.04 2.15 2.49 2nv5A1 GLN 1300 HB3 0.01 0.02 0.09 -0.04 2.02 2.10 2nv5A1 GLN 1300 HG2 -0.06 0.05 0.06 -0.04 2.40 2.41 2nv5A1 GLN 1300 HG3 -0.08 0.08 -0.52 -0.04 2.39 1.83 2nv5A1 GLN 1300 HE21 -0.01 0.33 0.12 -0.04 6.97 7.37 2nv5A1 GLN 1300 HE22 -0.05 -0.12 -0.02 -0.04 7.69 7.46 2nv5A1 GLY 1301 H 0.01 0.40 0.14 -0.55 8.43 8.43 2nv5A1 GLY 1301 HA2 -0.42 -0.05 0.60 -0.51 4.01 3.64 2nv5A1 GLY 1301 HA3 -0.03 0.08 0.50 -0.51 4.01 4.04 2nv5A1 SER 1302 H -0.60 0.06 0.15 -0.55 8.46 7.52 2nv5A1 SER 1302 HA -0.17 0.12 0.22 -0.75 4.49 3.91 2nv5A1 SER 1302 HB2 -0.10 -0.05 -0.11 -0.04 3.95 3.65 2nv5A1 SER 1302 HB3 -0.58 0.08 0.02 -0.04 3.93 3.41 2nv5A1 LEU 1303 H -0.10 0.10 0.11 -0.55 8.37 7.92 2nv5A1 LEU 1303 HA -0.12 0.23 0.76 -0.75 4.35 4.47 2nv5A1 LEU 1303 HB2 -0.13 -0.07 0.05 -0.04 1.64 1.44 2nv5A1 LEU 1303 HB3 -0.16 -0.02 0.07 -0.04 1.64 1.50 2nv5A1 LEU 1303 HG -0.08 0.06 -0.15 -0.04 1.64 1.42 2nv5A1 LEU 1303 HD13 -0.06 0.04 -0.27 -0.04 0.93 0.59 2nv5A1 LEU 1303 HD23 -0.10 0.01 -0.02 -0.04 0.89 0.73 2nv5A1 PRO 1304 HA -1.80 0.09 0.40 -0.51 4.44 2.62 2nv5A1 PRO 1304 HB2 -0.23 0.04 0.06 -0.04 2.28 2.11 2nv5A1 PRO 1304 HB3 -0.26 0.06 0.08 -0.04 2.02 1.86 2nv5A1 PRO 1304 HG2 -0.13 0.07 0.08 -0.04 2.03 2.01 2nv5A1 PRO 1304 HG3 -0.17 0.04 0.06 -0.04 2.03 1.93 2nv5A1 PRO 1304 HD2 -0.19 0.14 0.20 -0.04 3.68 3.78 2nv5A1 PRO 1304 HD3 -0.17 0.16 0.18 -0.04 3.65 3.78 2nv5A1 GLU 1305 H -0.24 0.15 -0.27 -0.55 8.60 7.69 2nv5A1 GLU 1305 HA -0.11 0.10 0.34 -0.75 4.29 3.86 2nv5A1 GLU 1305 HB2 -0.09 0.09 -0.01 -0.04 2.09 2.05 2nv5A1 GLU 1305 HB3 -0.05 0.04 0.05 -0.04 1.99 1.99 2nv5A1 GLU 1305 HG2 -0.06 0.06 0.00 -0.04 2.34 2.31 2nv5A1 GLU 1305 HG3 -0.08 -0.01 -0.02 -0.04 2.34 2.19 2nv5A1 THR 1306 H -0.23 0.41 -0.44 -0.55 8.28 7.47 2nv5A1 THR 1306 HA 0.01 0.21 0.99 -0.75 4.39 4.85 2nv5A1 THR 1306 HB 0.00 -0.00 0.15 -0.04 4.32 4.43 2nv5A1 THR 1306 HG23 -0.01 0.06 -0.11 -0.04 1.22 1.12 2nv5A1 PHE 1307 H -0.17 0.42 -0.08 -0.55 8.34 7.96 2nv5A1 PHE 1307 HA -0.08 0.03 0.40 -0.75 4.62 4.21 2nv5A1 PHE 1307 HB2 0.16 0.00 0.08 -0.04 3.15 3.35 2nv5A1 PHE 1307 HB3 -0.18 0.07 0.00 -0.04 3.06 2.90 2nv5A1 PHE 1307 HD2 0.05 -0.05 -0.11 -0.04 7.28 7.13 2nv5A1 PHE 1307 HE2 -0.00 0.05 -0.35 -0.04 7.38 7.04 2nv5A1 PHE 1307 HZ -0.04 -0.12 -0.42 -0.04 7.32 6.70 2nv5A1 GLY 1308 H 0.24 0.19 -0.27 -0.55 8.43 8.04 2nv5A1 GLY 1308 HA2 0.34 0.07 0.09 -0.51 4.01 4.00 2nv5A1 GLY 1308 HA3 0.19 0.04 0.15 -0.51 4.01 3.88 2nv5A1 ASP 1309 H 0.11 0.11 -0.17 -0.55 8.40 7.91 2nv5A1 ASP 1309 HA 0.06 0.04 0.41 -0.75 4.63 4.39 2nv5A1 ASP 1309 HB2 0.04 0.05 0.13 -0.04 2.71 2.89 2nv5A1 ASP 1309 HB3 0.01 0.06 0.02 -0.04 2.70 2.75 2nv5A1 PHE 1310 H 0.15 0.59 -0.24 -0.55 8.34 8.28 2nv5A1 PHE 1310 HA -0.22 0.03 0.35 -0.75 4.62 4.03 2nv5A1 PHE 1310 HB2 -0.29 -0.02 0.06 -0.04 3.15 2.86 2nv5A1 PHE 1310 HB3 -0.41 0.13 0.16 -0.04 3.06 2.90 2nv5A1 PHE 1310 HD2 -1.09 0.04 -0.12 -0.04 7.28 6.06 2nv5A1 PHE 1310 HE2 -0.88 0.02 -0.15 -0.04 7.38 6.33 2nv5A1 PHE 1310 HZ -0.46 -0.02 -0.15 -0.04 7.32 6.66 2nv5A1 TRP 1311 H 0.19 0.55 -0.04 -0.55 7.97 8.12 2nv5A1 TRP 1311 HA -0.09 0.04 0.51 -0.75 4.62 4.33 2nv5A1 TRP 1311 HB2 0.12 0.10 0.13 -0.04 3.23 3.54 2nv5A1 TRP 1311 HB3 0.10 -0.04 -0.03 -0.04 3.23 3.22 2nv5A1 TRP 1311 HD1 -0.10 0.01 -0.05 -0.04 7.22 7.04 2nv5A1 TRP 1311 HE1 -0.16 0.56 0.07 -0.04 10.20 10.63 2nv5A1 TRP 1311 HE3 0.04 -0.02 -0.06 -0.04 7.59 7.50 2nv5A1 TRP 1311 HZ2 0.02 -0.05 -0.21 -0.04 7.44 7.15 2nv5A1 TRP 1311 HZ3 -0.00 0.02 -0.18 -0.04 7.13 6.93 2nv5A1 TRP 1311 HH2 -0.56 -0.03 -0.18 -0.04 7.19 6.39 2nv5A1 ARG 1312 H 0.18 0.54 -0.16 -0.55 8.46 8.47 2nv5A1 ARG 1312 HA 0.18 0.01 0.48 -0.75 4.34 4.25 2nv5A1 ARG 1312 HB2 0.09 -0.03 0.10 -0.04 1.90 2.02 2nv5A1 ARG 1312 HB3 0.07 0.10 0.10 -0.04 1.80 2.03 2nv5A1 ARG 1312 HG2 0.06 0.02 -0.11 -0.04 1.67 1.61 2nv5A1 ARG 1312 HG3 0.06 -0.06 0.08 -0.04 1.67 1.71 2nv5A1 ARG 1312 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.18 2nv5A1 ARG 1312 HD3 0.02 -0.09 0.01 -0.04 3.22 3.12 2nv5A1 MET 1313 H -0.03 0.52 -0.26 -0.55 8.47 8.15 2nv5A1 MET 1313 HA -0.02 0.03 0.44 -0.75 4.52 4.21 2nv5A1 MET 1313 HB2 -0.12 0.05 0.02 -0.04 2.15 2.06 2nv5A1 MET 1313 HB3 -0.28 0.14 0.11 -0.04 2.03 1.95 2nv5A1 MET 1313 HG2 -0.17 -0.00 -0.32 -0.04 2.63 2.10 2nv5A1 MET 1313 HG3 -0.13 -0.00 -0.13 -0.04 2.56 2.26 2nv5A1 MET 1313 HE3 -0.32 -0.00 -0.13 -0.04 2.10 1.61 2nv5A1 ILE 1314 H -0.24 0.51 -0.13 -0.55 8.25 7.84 2nv5A1 ILE 1314 HA -0.12 0.01 0.34 -0.75 4.18 3.66 2nv5A1 ILE 1314 HB 0.16 0.13 0.11 -0.04 1.89 2.24 2nv5A1 ILE 1314 HG12 -0.94 0.30 0.05 -0.04 1.49 0.86 2nv5A1 ILE 1314 HG13 -0.67 -0.08 -0.10 -0.04 1.21 0.32 2nv5A1 ILE 1314 HG23 0.17 -0.01 -0.25 -0.04 0.93 0.80 2nv5A1 ILE 1314 HD13 -0.40 -0.02 -0.11 -0.04 0.88 0.31 2nv5A1 TRP 1315 H 0.32 0.51 -0.30 -0.55 7.97 7.95 2nv5A1 TRP 1315 HA 0.04 0.04 0.33 -0.75 4.62 4.28 2nv5A1 TRP 1315 HB2 0.08 0.00 0.02 -0.04 3.23 3.29 2nv5A1 TRP 1315 HB3 0.05 0.06 0.15 -0.04 3.23 3.46 2nv5A1 TRP 1315 HD1 0.02 0.04 -0.28 -0.04 7.22 6.97 2nv5A1 TRP 1315 HE1 0.02 -0.03 -0.09 -0.04 10.20 10.06 2nv5A1 TRP 1315 HE3 0.03 0.02 -0.19 -0.04 7.59 7.41 2nv5A1 TRP 1315 HZ2 0.02 -0.08 -0.06 -0.04 7.44 7.28 2nv5A1 TRP 1315 HZ3 -0.09 0.15 -0.47 -0.04 7.13 6.68 2nv5A1 TRP 1315 HH2 -0.03 0.17 -0.14 -0.04 7.19 7.14 2nv5A1 GLU 1316 H 0.29 0.70 0.01 -0.55 8.60 9.06 2nv5A1 GLU 1316 HA 0.20 -0.02 0.36 -0.75 4.29 4.08 2nv5A1 GLU 1316 HB2 0.10 0.09 0.16 -0.04 2.09 2.40 2nv5A1 GLU 1316 HB3 0.10 -0.05 0.08 -0.04 1.99 2.08 2nv5A1 GLU 1316 HG2 0.27 -0.06 0.05 -0.04 2.34 2.55 2nv5A1 GLU 1316 HG3 0.24 0.16 0.14 -0.04 2.34 2.84 2nv5A1 GLN 1317 H 0.03 0.55 -0.38 -0.55 8.47 8.12 2nv5A1 GLN 1317 HA 0.03 0.09 0.59 -0.75 4.36 4.32 2nv5A1 GLN 1317 HB2 -0.02 0.06 0.00 -0.04 2.15 2.15 2nv5A1 GLN 1317 HB3 0.04 -0.04 0.07 -0.04 2.02 2.05 2nv5A1 GLN 1317 HG2 0.00 0.04 -0.02 -0.04 2.40 2.38 2nv5A1 GLN 1317 HG3 -0.03 -0.10 -0.09 -0.04 2.39 2.13 2nv5A1 GLN 1317 HE21 0.12 -0.04 -0.03 -0.04 6.97 6.99 2nv5A1 GLN 1317 HE22 0.05 -0.01 -0.11 -0.04 7.69 7.58 2nv5A1 ARG 1318 H -0.09 0.37 -0.43 -0.55 8.46 7.76 2nv5A1 ARG 1318 HA -0.19 0.08 0.31 -0.75 4.34 3.79 2nv5A1 ARG 1318 HB2 -0.07 0.10 0.00 -0.04 1.90 1.89 2nv5A1 ARG 1318 HB3 -0.12 -0.08 0.20 -0.04 1.80 1.76 2nv5A1 ARG 1318 HG2 -0.21 -0.04 0.02 -0.04 1.67 1.40 2nv5A1 ARG 1318 HG3 -0.11 0.12 -0.22 -0.04 1.67 1.42 2nv5A1 ARG 1318 HD2 -0.05 0.03 -0.08 -0.04 3.22 3.08 2nv5A1 ARG 1318 HD3 -0.08 -0.03 -0.01 -0.04 3.22 3.06 2nv5A1 SER 1319 H -0.04 0.25 -0.16 -0.55 8.46 7.96 2nv5A1 SER 1319 HA -0.02 0.12 0.29 -0.75 4.49 4.12 2nv5A1 SER 1319 HB2 -0.03 -0.11 -0.01 -0.04 3.95 3.76 2nv5A1 SER 1319 HB3 -0.01 -0.02 0.08 -0.04 3.93 3.94 2nv5A1 ALA 1320 H 0.01 0.15 0.22 -0.55 8.40 8.24 2nv5A1 ALA 1320 HA 0.03 0.28 0.95 -0.75 4.34 4.85 2nv5A1 ALA 1320 HB3 0.02 0.01 0.15 -0.04 1.41 1.55 2nv5A1 THR 1321 H 0.05 0.13 0.18 -0.55 8.28 8.09 2nv5A1 THR 1321 HA 0.17 0.34 1.09 -0.75 4.39 5.23 2nv5A1 THR 1321 HB 0.07 -0.06 0.12 -0.04 4.32 4.41 2nv5A1 THR 1321 HG23 0.16 -0.00 -0.13 -0.04 1.22 1.21 2nv5A1 VAL 1322 H 0.20 0.72 0.39 -0.55 8.24 8.99 2nv5A1 VAL 1322 HA 0.09 0.28 0.92 -0.75 4.13 4.66 2nv5A1 VAL 1322 HB 0.21 -0.07 0.05 -0.04 2.12 2.26 2nv5A1 VAL 1322 HG13 0.30 -0.03 -0.27 -0.04 0.97 0.93 2nv5A1 VAL 1322 HG23 0.04 0.01 -0.19 -0.04 0.95 0.76 2nv5A1 VAL 1323 H -0.01 0.92 0.36 -0.55 8.24 8.96 2nv5A1 VAL 1323 HA 0.12 0.21 1.07 -0.75 4.13 4.77 2nv5A1 VAL 1323 HB -0.42 -0.03 0.22 -0.04 2.12 1.85 2nv5A1 VAL 1323 HG13 -0.34 -0.02 -0.12 -0.04 0.97 0.45 2nv5A1 VAL 1323 HG23 -0.30 0.01 -0.12 -0.04 0.95 0.51 2nv5A1 MET 1324 H 0.06 0.67 0.25 -0.55 8.47 8.91 2nv5A1 MET 1324 HA -0.71 0.25 0.95 -0.75 4.52 4.26 2nv5A1 MET 1324 HB2 -0.15 0.01 -0.07 -0.04 2.15 1.90 2nv5A1 MET 1324 HB3 -0.03 -0.03 0.06 -0.04 2.03 1.98 2nv5A1 MET 1324 HG2 0.02 0.07 -0.06 -0.04 2.63 2.61 2nv5A1 MET 1324 HG3 -0.01 0.00 -0.07 -0.04 2.56 2.45 2nv5A1 MET 1324 HE3 0.34 -0.00 -0.22 -0.04 2.10 2.18 2nv5A1 MET 1325 H -0.24 0.73 0.36 -0.55 8.47 8.78 2nv5A1 MET 1325 HA -0.01 0.13 0.69 -0.75 4.52 4.58 2nv5A1 MET 1325 HB2 -0.19 -0.06 0.01 -0.04 2.15 1.87 2nv5A1 MET 1325 HB3 -0.27 -0.09 0.15 -0.04 2.03 1.77 2nv5A1 MET 1325 HG2 -0.13 0.09 -0.23 -0.04 2.63 2.32 2nv5A1 MET 1325 HG3 -0.07 -0.04 -0.26 -0.04 2.56 2.15 2nv5A1 MET 1325 HE3 -0.15 -0.01 -0.00 -0.04 2.10 1.89 2nv5A1 THR 1326 H -0.01 0.30 -0.33 -0.55 8.28 7.69 2nv5A1 THR 1326 HA -0.01 0.08 0.66 -0.75 4.39 4.36 2nv5A1 THR 1326 HB -0.07 -0.17 -0.39 -0.04 4.32 3.65 2nv5A1 THR 1326 HG23 0.08 0.02 -0.41 -0.04 1.22 0.87 2nv5A1 LYS 1327 H 0.03 0.12 0.06 -0.55 8.42 8.06 2nv5A1 LYS 1327 HA 0.08 0.12 0.69 -0.75 4.32 4.45 2nv5A1 LYS 1327 HB2 0.03 0.04 -0.05 -0.04 1.87 1.85 2nv5A1 LYS 1327 HB3 0.04 -0.07 0.12 -0.04 1.79 1.84 2nv5A1 LYS 1327 HG2 0.02 -0.01 0.06 -0.04 1.46 1.49 2nv5A1 LYS 1327 HG3 0.01 0.02 0.04 -0.04 1.46 1.48 2nv5A1 LYS 1327 HD2 0.01 0.01 0.09 -0.04 1.69 1.76 2nv5A1 LYS 1327 HD3 0.02 -0.05 0.07 -0.04 1.68 1.68 2nv5A1 LYS 1327 HE2 -0.00 -0.09 0.06 -0.04 2.99 2.91 2nv5A1 LYS 1327 HE3 -0.02 0.22 0.13 -0.04 2.99 3.27 2nv5A1 LEU 1328 H 0.11 0.13 0.08 -0.55 8.37 8.14 2nv5A1 LEU 1328 HA 0.10 0.08 0.37 -0.75 4.35 4.15 2nv5A1 LEU 1328 HB2 0.05 -0.04 0.12 -0.04 1.64 1.72 2nv5A1 LEU 1328 HB3 0.01 0.06 0.02 -0.04 1.64 1.69 2nv5A1 LEU 1328 HG 0.23 -0.01 -0.02 -0.04 1.64 1.80 2nv5A1 LEU 1328 HD13 -0.11 0.00 -0.02 -0.04 0.93 0.76 2nv5A1 LEU 1328 HD23 -0.04 -0.01 -0.28 -0.04 0.89 0.52 2nv5A1 GLU 1329 H 0.04 0.15 -0.07 -0.55 8.60 8.17 2nv5A1 GLU 1329 HA 0.02 0.27 0.81 -0.75 4.29 4.63 2nv5A1 GLU 1329 HB2 0.01 0.00 -0.17 -0.04 2.09 1.89 2nv5A1 GLU 1329 HB3 0.01 -0.03 -0.04 -0.04 1.99 1.89 2nv5A1 GLU 1329 HG2 0.00 -0.17 -0.26 -0.04 2.34 1.87 2nv5A1 GLU 1329 HG3 0.00 0.08 -0.60 -0.04 2.34 1.78 2nv5A1 GLU 1330 H 0.00 0.71 0.22 -0.55 8.60 8.98 2nv5A1 GLU 1330 HA 0.00 0.10 0.66 -0.75 4.29 4.29 2nv5A1 GLU 1330 HB2 -0.02 0.05 0.06 -0.04 2.09 2.14 2nv5A1 GLU 1330 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.98 2nv5A1 GLU 1330 HG2 0.01 0.05 0.02 -0.04 2.34 2.38 2nv5A1 GLU 1330 HG3 0.01 -0.04 -0.49 -0.04 2.34 1.78 2nv5A1 ARG 1331 H -0.00 0.17 0.12 -0.55 8.46 8.19 2nv5A1 ARG 1331 HA 0.01 0.04 0.31 -0.75 4.34 3.94 2nv5A1 ARG 1331 HB2 -0.07 -0.04 -0.01 -0.04 1.90 1.74 2nv5A1 ARG 1331 HB3 -0.06 0.17 -0.02 -0.04 1.80 1.85 2nv5A1 ARG 1331 HG2 0.01 0.02 0.03 -0.04 1.67 1.69 2nv5A1 ARG 1331 HG3 0.03 0.03 0.17 -0.04 1.67 1.85 2nv5A1 ARG 1331 HD2 0.06 -0.03 0.05 -0.04 3.22 3.26 2nv5A1 ARG 1331 HD3 0.19 -0.02 0.01 -0.04 3.22 3.35 2nv5A1 SER 1332 H 0.00 0.01 -0.34 -0.55 8.46 7.59 2nv5A1 SER 1332 HA 0.00 -0.03 0.16 -0.75 4.49 3.87 2nv5A1 SER 1332 HB2 0.01 0.18 0.15 -0.04 3.95 4.24 2nv5A1 SER 1332 HB3 0.00 -0.01 0.14 -0.04 3.93 4.02 2nv5A1 ARG 1333 H -0.00 0.37 -0.33 -0.55 8.46 7.94 2nv5A1 ARG 1333 HA 0.00 0.14 0.86 -0.75 4.34 4.59 2nv5A1 ARG 1333 HB2 -0.01 0.12 0.05 -0.04 1.90 2.02 2nv5A1 ARG 1333 HB3 0.01 0.04 -0.08 -0.04 1.80 1.72 2nv5A1 ARG 1333 HG2 0.00 0.02 0.03 -0.04 1.67 1.69 2nv5A1 ARG 1333 HG3 0.00 0.08 -0.19 -0.04 1.67 1.52 2nv5A1 ARG 1333 HD2 0.02 0.00 -0.01 -0.04 3.22 3.19 2nv5A1 ARG 1333 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 2nv5A1 VAL 1334 H -0.00 0.16 0.10 -0.55 8.24 7.94 2nv5A1 VAL 1334 HA 0.01 0.10 0.66 -0.75 4.13 4.15 2nv5A1 VAL 1334 HB -0.01 -0.02 0.14 -0.04 2.12 2.19 2nv5A1 VAL 1334 HG13 0.00 0.06 -0.24 -0.04 0.97 0.75 2nv5A1 VAL 1334 HG23 -0.00 -0.01 0.00 -0.04 0.95 0.90 2nv5A1 LYS 1335 H 0.03 0.57 0.41 -0.55 8.42 8.87 2nv5A1 LYS 1335 HA 0.05 0.08 0.82 -0.75 4.32 4.52 2nv5A1 LYS 1335 HB2 0.04 0.24 -0.02 -0.04 1.87 2.09 2nv5A1 LYS 1335 HB3 0.02 -0.19 0.03 -0.04 1.79 1.61 2nv5A1 LYS 1335 HG2 0.01 0.07 -0.02 -0.04 1.46 1.48 2nv5A1 LYS 1335 HG3 0.00 -0.03 -0.09 -0.04 1.46 1.31 2nv5A1 LYS 1335 HD2 0.02 0.00 -0.04 -0.04 1.69 1.63 2nv5A1 LYS 1335 HD3 -0.01 0.07 -0.06 -0.04 1.68 1.63 2nv5A1 LYS 1335 HE2 -0.04 0.04 -0.01 -0.04 2.99 2.93 2nv5A1 LYS 1335 HE3 -0.05 -0.14 0.02 -0.04 2.99 2.78 2nv5A1 CYS 1336 H 0.05 0.48 0.27 -0.55 8.50 8.75 2nv5A1 CYS 1336 HA 0.06 0.16 0.60 -0.75 4.58 4.64 2nv5A1 CYS 1336 HB2 0.15 0.07 -0.28 -0.04 2.97 2.87 2nv5A1 CYS 1336 HB3 0.17 -0.07 -0.15 -0.04 2.97 2.87 2nv5A1 ASP 1337 H 0.10 0.41 0.10 -0.55 8.40 8.46 2nv5A1 ASP 1337 HA 0.04 0.11 0.87 -0.75 4.63 4.90 2nv5A1 ASP 1337 HB2 0.29 0.14 -0.02 -0.04 2.71 3.08 2nv5A1 ASP 1337 HB3 0.30 -0.02 -0.04 -0.04 2.70 2.91 2nv5A1 GLN 1338 H -0.11 0.14 0.07 -0.55 8.47 8.02 2nv5A1 GLN 1338 HA -0.82 0.02 0.36 -0.75 4.36 3.17 2nv5A1 GLN 1338 HB2 -0.49 -0.02 0.09 -0.04 2.15 1.69 2nv5A1 GLN 1338 HB3 -0.47 0.03 0.15 -0.04 2.02 1.70 2nv5A1 GLN 1338 HG2 -1.79 0.03 -0.13 -0.04 2.40 0.46 2nv5A1 GLN 1338 HG3 -2.42 -0.04 -0.04 -0.04 2.39 -0.15 2nv5A1 GLN 1338 HE21 -0.33 -0.16 -0.01 -0.04 6.97 6.43 2nv5A1 GLN 1338 HE22 -0.91 0.69 -0.02 -0.04 7.69 7.40 2nv5A1 TYR 1339 H -0.68 0.17 0.19 -0.55 8.29 7.43 2nv5A1 TYR 1339 HA -1.94 0.13 0.38 -0.75 4.56 2.37 2nv5A1 TYR 1339 HB2 -0.55 -0.01 0.07 -0.04 3.06 2.54 2nv5A1 TYR 1339 HB3 -0.69 0.01 -0.05 -0.04 2.98 2.21 2nv5A1 TYR 1339 HD2 -0.14 0.12 -0.10 -0.04 7.15 6.99 2nv5A1 TYR 1339 HE2 0.04 0.00 -0.12 -0.04 6.85 6.73 2nv5A1 TRP 1340 H -0.77 0.03 -0.31 -0.55 7.97 6.38 2nv5A1 TRP 1340 HA 0.07 0.25 0.76 -0.75 4.62 4.95 2nv5A1 TRP 1340 HB2 -0.08 0.09 -0.09 -0.04 3.23 3.12 2nv5A1 TRP 1340 HB3 -0.16 -0.05 -0.21 -0.04 3.23 2.77 2nv5A1 TRP 1340 HD1 0.22 0.39 -0.53 -0.04 7.22 7.26 2nv5A1 TRP 1340 HE1 0.04 0.00 -0.19 -0.04 10.20 10.02 2nv5A1 TRP 1340 HE3 -1.80 -0.04 -0.09 -0.04 7.59 5.63 2nv5A1 TRP 1340 HZ2 -0.02 -0.00 -0.09 -0.04 7.44 7.29 2nv5A1 TRP 1340 HZ3 -0.38 0.05 -0.10 -0.04 7.13 6.65 2nv5A1 TRP 1340 HH2 -0.06 -0.01 -0.10 -0.04 7.19 6.98 2nv5A1 PRO 1341 HA 0.01 0.04 0.47 -0.51 4.44 4.45 2nv5A1 PRO 1341 HB2 0.12 0.10 -0.33 -0.04 2.28 2.13 2nv5A1 PRO 1341 HB3 0.07 0.03 -0.15 -0.04 2.02 1.93 2nv5A1 PRO 1341 HG2 0.33 -0.05 -0.06 -0.04 2.03 2.20 2nv5A1 PRO 1341 HG3 0.12 0.21 -0.06 -0.04 2.03 2.26 2nv5A1 PRO 1341 HD2 0.39 0.06 0.01 -0.04 3.68 4.10 2nv5A1 PRO 1341 HD3 0.11 0.17 0.05 -0.04 3.65 3.94 2nv5A1 SER 1342 H -0.02 0.14 0.13 -0.55 8.46 8.17 2nv5A1 SER 1342 HA 0.21 0.07 0.51 -0.75 4.49 4.53 2nv5A1 SER 1342 HB2 0.00 -0.01 0.11 -0.04 3.95 4.01 2nv5A1 SER 1342 HB3 0.04 0.00 0.00 -0.04 3.93 3.94 2nv5A1 ARG 1343 H 0.07 0.20 -0.15 -0.55 8.46 8.02 2nv5A1 ARG 1343 HA 0.07 0.14 0.40 -0.75 4.34 4.19 2nv5A1 ARG 1343 HB2 0.03 -0.01 0.05 -0.04 1.90 1.93 2nv5A1 ARG 1343 HB3 0.04 0.11 -0.10 -0.04 1.80 1.80 2nv5A1 ARG 1343 HG2 0.03 -0.10 -0.08 -0.04 1.67 1.48 2nv5A1 ARG 1343 HG3 0.02 0.01 -0.20 -0.04 1.67 1.46 2nv5A1 ARG 1343 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.11 2nv5A1 ARG 1343 HD3 0.02 0.02 -0.06 -0.04 3.22 3.15 2nv5A1 GLY 1344 H 0.04 0.19 0.13 -0.55 8.43 8.25 2nv5A1 GLY 1344 HA2 0.03 0.06 0.37 -0.51 4.01 3.96 2nv5A1 GLY 1344 HA3 0.02 0.03 0.41 -0.51 4.01 3.97 2nv5A1 THR 1345 H 0.01 0.16 0.26 -0.55 8.28 8.16 2nv5A1 THR 1345 HA 0.03 0.34 1.07 -0.75 4.39 5.08 2nv5A1 THR 1345 HB -0.01 -0.05 0.07 -0.04 4.32 4.29 2nv5A1 THR 1345 HG23 -0.02 0.00 -0.23 -0.04 1.22 0.93 2nv5A1 GLU 1346 H -0.04 0.74 0.40 -0.55 8.60 9.16 2nv5A1 GLU 1346 HA -0.09 0.09 0.81 -0.75 4.29 4.35 2nv5A1 GLU 1346 HB2 -0.00 -0.01 -0.07 -0.04 2.09 1.97 2nv5A1 GLU 1346 HB3 -0.13 0.01 -0.08 -0.04 1.99 1.75 2nv5A1 GLU 1346 HG2 -0.23 0.04 -0.05 -0.04 2.34 2.06 2nv5A1 GLU 1346 HG3 -0.06 0.02 0.04 -0.04 2.34 2.30 2nv5A1 THR 1347 H -0.18 0.16 0.14 -0.55 8.28 7.85 2nv5A1 THR 1347 HA -0.13 0.24 1.03 -0.75 4.39 4.77 2nv5A1 THR 1347 HB -0.09 -0.03 0.07 -0.04 4.32 4.23 2nv5A1 THR 1347 HG23 -0.05 0.00 -0.30 -0.04 1.22 0.83 2nv5A1 HIS 1348 H -0.01 0.99 0.22 -0.55 8.41 9.07 2nv5A1 HIS 1348 HA 0.13 0.09 0.87 -0.75 4.63 4.97 2nv5A1 HIS 1348 HB2 0.13 0.07 0.10 -0.04 3.26 3.52 2nv5A1 HIS 1348 HB3 0.38 -0.10 -0.22 -0.04 3.20 3.22 2nv5A1 HIS 1348 HD2 -0.28 0.02 -0.15 -0.04 6.97 6.52 2nv5A1 HIS 1348 HE1 0.18 -0.02 -0.11 -0.04 7.75 7.75 2nv5A1 GLY 1349 H 0.13 0.18 0.06 -0.55 8.43 8.25 2nv5A1 GLY 1349 HA2 0.06 0.06 0.34 -0.51 4.01 3.96 2nv5A1 GLY 1349 HA3 0.10 -0.01 0.50 -0.51 4.01 4.08 2nv5A1 LEU 1350 H 0.04 0.14 0.28 -0.55 8.37 8.28 2nv5A1 LEU 1350 HA -0.04 0.14 0.71 -0.75 4.35 4.40 2nv5A1 LEU 1350 HB2 -0.05 0.03 0.15 -0.04 1.64 1.73 2nv5A1 LEU 1350 HB3 -0.13 -0.07 0.17 -0.04 1.64 1.57 2nv5A1 LEU 1350 HG -0.06 0.05 0.06 -0.04 1.64 1.65 2nv5A1 LEU 1350 HD13 -0.04 0.00 0.01 -0.04 0.93 0.87 2nv5A1 LEU 1350 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.83 2nv5A1 VAL 1351 H 0.03 0.73 -0.04 -0.55 8.24 8.41 2nv5A1 VAL 1351 HA -0.14 0.28 1.11 -0.75 4.13 4.63 2nv5A1 VAL 1351 HB 0.11 -0.00 0.07 -0.04 2.12 2.26 2nv5A1 VAL 1351 HG13 0.00 0.02 -0.22 -0.04 0.97 0.73 2nv5A1 VAL 1351 HG23 -0.12 -0.02 -0.21 -0.04 0.95 0.56 2nv5A1 GLN 1352 H -0.04 0.51 0.31 -0.55 8.47 8.71 2nv5A1 GLN 1352 HA -0.07 0.15 0.97 -0.75 4.36 4.65 2nv5A1 GLN 1352 HB2 0.05 0.00 0.15 -0.04 2.15 2.31 2nv5A1 GLN 1352 HB3 0.02 0.00 -0.10 -0.04 2.02 1.90 2nv5A1 GLN 1352 HG2 -0.05 -0.02 -0.10 -0.04 2.40 2.19 2nv5A1 GLN 1352 HG3 -0.04 0.01 -0.10 -0.04 2.39 2.22 2nv5A1 GLN 1352 HE21 -0.05 -0.01 -0.09 -0.04 6.97 6.78 2nv5A1 GLN 1352 HE22 -0.05 -0.02 -0.11 -0.04 7.69 7.47 2nv5A1 VAL 1353 H -0.12 0.77 0.40 -0.55 8.24 8.74 2nv5A1 VAL 1353 HA -0.16 0.29 1.03 -0.75 4.13 4.54 2nv5A1 VAL 1353 HB -0.32 -0.02 0.15 -0.04 2.12 1.89 2nv5A1 VAL 1353 HG13 -0.71 -0.01 -0.16 -0.04 0.97 0.05 2nv5A1 VAL 1353 HG23 -1.20 0.02 -0.18 -0.04 0.95 -0.45 2nv5A1 THR 1354 H 0.08 0.65 0.36 -0.55 8.28 8.82 2nv5A1 THR 1354 HA 0.09 0.26 1.09 -0.75 4.39 5.08 2nv5A1 THR 1354 HB 0.12 -0.04 0.14 -0.04 4.32 4.50 2nv5A1 THR 1354 HG23 0.06 0.00 -0.27 -0.04 1.22 0.97 2nv5A1 LEU 1355 H 0.15 0.59 0.19 -0.55 8.37 8.76 2nv5A1 LEU 1355 HA -0.02 0.12 0.76 -0.75 4.35 4.45 2nv5A1 LEU 1355 HB2 0.31 0.12 -0.00 -0.04 1.64 2.03 2nv5A1 LEU 1355 HB3 0.12 -0.11 0.00 -0.04 1.64 1.61 2nv5A1 LEU 1355 HG -0.07 -0.07 -0.40 -0.04 1.64 1.06 2nv5A1 LEU 1355 HD13 -0.35 0.04 -0.00 -0.04 0.93 0.57 2nv5A1 LEU 1355 HD23 0.09 -0.01 -0.17 -0.04 0.89 0.77 2nv5A1 LEU 1356 H -0.21 0.80 0.48 -0.55 8.37 8.89 2nv5A1 LEU 1356 HA -0.02 0.13 0.76 -0.75 4.35 4.46 2nv5A1 LEU 1356 HB2 -0.09 0.04 0.01 -0.04 1.64 1.56 2nv5A1 LEU 1356 HB3 -0.03 -0.05 -0.01 -0.04 1.64 1.50 2nv5A1 LEU 1356 HG 0.02 0.06 -0.13 -0.04 1.64 1.54 2nv5A1 LEU 1356 HD13 0.01 -0.00 -0.18 -0.04 0.93 0.71 2nv5A1 LEU 1356 HD23 0.04 -0.00 -0.12 -0.04 0.89 0.77 2nv5A1 ASP 1357 H -0.19 0.25 0.25 -0.55 8.40 8.16 2nv5A1 ASP 1357 HA -0.07 0.12 0.82 -0.75 4.63 4.75 2nv5A1 ASP 1357 HB2 -0.07 0.10 -0.43 -0.04 2.71 2.28 2nv5A1 ASP 1357 HB3 -0.12 -0.07 -0.03 -0.04 2.70 2.44 2nv5A1 THR 1358 H -0.06 0.28 0.22 -0.55 8.28 8.17 2nv5A1 THR 1358 HA -0.13 0.33 1.06 -0.75 4.39 4.90 2nv5A1 THR 1358 HB -0.03 -0.02 0.10 -0.04 4.32 4.32 2nv5A1 THR 1358 HG23 -0.04 -0.02 -0.12 -0.04 1.22 1.00 2nv5A1 VAL 1359 H -0.09 0.70 0.32 -0.55 8.24 8.62 2nv5A1 VAL 1359 HA -0.04 0.16 0.87 -0.75 4.13 4.36 2nv5A1 VAL 1359 HB -0.05 -0.03 0.20 -0.04 2.12 2.21 2nv5A1 VAL 1359 HG13 -0.04 -0.00 -0.14 -0.04 0.97 0.74 2nv5A1 VAL 1359 HG23 -0.04 0.01 -0.10 -0.04 0.95 0.78 2nv5A1 GLU 1360 H -0.04 0.22 0.10 -0.55 8.60 8.33 2nv5A1 GLU 1360 HA -0.06 0.06 1.00 -0.75 4.29 4.53 2nv5A1 GLU 1360 HB2 -0.02 -0.02 0.13 -0.04 2.09 2.13 2nv5A1 GLU 1360 HB3 -0.03 0.06 -0.02 -0.04 1.99 1.96 2nv5A1 GLU 1360 HG2 -0.01 0.06 -0.01 -0.04 2.34 2.34 2nv5A1 GLU 1360 HG3 -0.01 -0.06 -0.05 -0.04 2.34 2.17 2nv5A1 LEU 1361 H -0.18 0.62 0.36 -0.55 8.37 8.62 2nv5A1 LEU 1361 HA -0.10 0.21 0.87 -0.75 4.35 4.57 2nv5A1 LEU 1361 HB2 -0.60 0.01 0.12 -0.04 1.64 1.13 2nv5A1 LEU 1361 HB3 -0.20 -0.17 0.21 -0.04 1.64 1.44 2nv5A1 LEU 1361 HG -0.30 0.02 -0.25 -0.04 1.64 1.08 2nv5A1 LEU 1361 HD13 -0.30 0.00 -0.05 -0.04 0.93 0.54 2nv5A1 LEU 1361 HD23 -0.08 0.07 -0.10 -0.04 0.89 0.74 2nv5A1 ALA 1362 H -0.06 0.14 0.16 -0.55 8.40 8.09 2nv5A1 ALA 1362 HA -0.02 0.13 0.31 -0.75 4.34 4.01 2nv5A1 ALA 1362 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2nv5A1 THR 1363 H 0.01 0.01 -0.04 -0.55 8.28 7.71 2nv5A1 THR 1363 HA -0.06 0.27 0.77 -0.75 4.39 4.63 2nv5A1 THR 1363 HB 0.14 -0.06 0.07 -0.04 4.32 4.43 2nv5A1 THR 1363 HG23 0.10 0.00 -0.08 -0.04 1.22 1.20 2nv5A1 TYR 1364 H -0.10 0.14 -0.12 -0.55 8.29 7.66 2nv5A1 TYR 1364 HA 0.03 0.12 0.50 -0.75 4.56 4.46 2nv5A1 TYR 1364 HB2 0.41 0.20 0.03 -0.04 3.06 3.66 2nv5A1 TYR 1364 HB3 0.36 -0.01 0.03 -0.04 2.98 3.32 2nv5A1 TYR 1364 HD2 0.36 0.01 -0.35 -0.04 7.15 7.13 2nv5A1 TYR 1364 HE2 0.24 0.03 -0.13 -0.04 6.85 6.94 2nv5A1 CYS 1365 H 0.26 0.57 0.35 -0.55 8.50 9.14 2nv5A1 CYS 1365 HA -0.02 0.00 1.11 -0.75 4.58 4.91 2nv5A1 CYS 1365 HB2 0.01 0.00 0.04 -0.04 2.97 2.98 2nv5A1 CYS 1365 HB3 -0.02 0.00 0.01 -0.04 2.97 2.92 2nv5A1 VAL 1366 H -0.05 0.61 0.36 -0.55 8.24 8.62 2nv5A1 VAL 1366 HA -0.24 0.40 1.09 -0.75 4.13 4.63 2nv5A1 VAL 1366 HB -0.11 -0.08 0.14 -0.04 2.12 2.03 2nv5A1 VAL 1366 HG13 -0.65 0.02 -0.12 -0.04 0.97 0.19 2nv5A1 VAL 1366 HG23 0.17 -0.00 -0.16 -0.04 0.95 0.92 2nv5A1 ARG 1367 H -0.26 0.60 0.34 -0.55 8.46 8.59 2nv5A1 ARG 1367 HA -0.30 0.33 1.16 -0.75 4.34 4.78 2nv5A1 ARG 1367 HB2 -0.32 -0.06 0.10 -0.04 1.90 1.57 2nv5A1 ARG 1367 HB3 -0.67 0.08 0.08 -0.04 1.80 1.24 2nv5A1 ARG 1367 HG2 -0.18 0.03 -0.07 -0.04 1.67 1.40 2nv5A1 ARG 1367 HG3 -0.24 -0.10 -0.22 -0.04 1.67 1.06 2nv5A1 ARG 1367 HD2 -0.79 -0.03 -0.10 -0.04 3.22 2.25 2nv5A1 ARG 1367 HD3 -0.16 0.10 -0.08 -0.04 3.22 3.04 2nv5A1 THR 1368 H -0.39 0.54 0.39 -0.55 8.28 8.28 2nv5A1 THR 1368 HA -0.19 0.30 1.24 -0.75 4.39 4.98 2nv5A1 THR 1368 HB -0.15 -0.11 0.12 -0.04 4.32 4.14 2nv5A1 THR 1368 HG23 -0.04 0.03 -0.06 -0.04 1.22 1.11 2nv5A1 PHE 1369 H 0.12 0.85 0.48 -0.55 8.34 9.24 2nv5A1 PHE 1369 HA 0.02 0.27 1.24 -0.75 4.62 5.39 2nv5A1 PHE 1369 HB2 0.10 -0.01 0.00 -0.04 3.15 3.20 2nv5A1 PHE 1369 HB3 -0.04 0.01 -0.02 -0.04 3.06 2.97 2nv5A1 PHE 1369 HD2 0.11 0.09 -0.29 -0.04 7.28 7.15 2nv5A1 PHE 1369 HE2 0.10 0.02 -0.13 -0.04 7.38 7.32 2nv5A1 PHE 1369 HZ -0.41 -0.04 -0.15 -0.04 7.32 6.68 2nv5A1 ALA 1370 H 0.16 0.51 0.39 -0.55 8.40 8.92 2nv5A1 ALA 1370 HA 0.04 0.33 1.07 -0.75 4.34 5.03 2nv5A1 ALA 1370 HB3 0.09 -0.02 0.06 -0.04 1.41 1.50 2nv5A1 LEU 1371 H -0.00 0.74 0.36 -0.55 8.37 8.92 2nv5A1 LEU 1371 HA 0.05 0.37 1.14 -0.75 4.35 5.17 2nv5A1 LEU 1371 HB2 0.27 -0.04 0.05 -0.04 1.64 1.88 2nv5A1 LEU 1371 HB3 0.42 0.01 -0.10 -0.04 1.64 1.93 2nv5A1 LEU 1371 HG 0.01 0.01 -0.12 -0.04 1.64 1.50 2nv5A1 LEU 1371 HD13 0.03 0.01 -0.38 -0.04 0.93 0.56 2nv5A1 LEU 1371 HD23 0.42 0.00 -0.19 -0.04 0.89 1.08 2nv5A1 TYR 1372 H 0.17 0.55 0.36 -0.55 8.29 8.81 2nv5A1 TYR 1372 HA 0.20 0.28 0.76 -0.75 4.56 5.03 2nv5A1 TYR 1372 HB2 -0.02 -0.10 0.07 -0.04 3.06 2.98 2nv5A1 TYR 1372 HB3 -0.01 0.07 0.04 -0.04 2.98 3.04 2nv5A1 TYR 1372 HD2 0.06 0.04 -0.17 -0.04 7.15 7.04 2nv5A1 TYR 1372 HE2 0.05 -0.01 -0.13 -0.04 6.85 6.73 2nv5A1 LYS 1373 H -0.27 0.22 0.12 -0.55 8.42 7.94 2nv5A1 LYS 1373 HA -0.47 0.27 1.07 -0.75 4.32 4.43 2nv5A1 LYS 1373 HB2 -2.48 -0.00 -0.03 -0.04 1.87 -0.69 2nv5A1 LYS 1373 HB3 -0.64 -0.06 -0.11 -0.04 1.79 0.94 2nv5A1 LYS 1373 HG2 -0.52 0.04 0.08 -0.04 1.46 1.02 2nv5A1 LYS 1373 HG3 -1.27 -0.01 -0.07 -0.04 1.46 0.07 2nv5A1 LYS 1373 HD2 -0.69 -0.01 -0.06 -0.04 1.69 0.89 2nv5A1 LYS 1373 HD3 -0.33 0.08 -0.06 -0.04 1.68 1.34 2nv5A1 LYS 1373 HE2 -0.25 -0.06 -0.01 -0.04 2.99 2.64 2nv5A1 LYS 1373 HE3 -0.29 0.01 -0.02 -0.04 2.99 2.65 2nv5A1 ASN 1374 H -0.20 0.52 0.29 -0.55 8.53 8.58 2nv5A1 ASN 1374 HA -0.07 0.02 0.60 -0.75 4.76 4.55 2nv5A1 ASN 1374 HB2 -0.09 0.01 0.29 -0.04 2.88 3.04 2nv5A1 ASN 1374 HB3 -0.06 -0.02 0.07 -0.04 2.79 2.74 2nv5A1 ASN 1374 HD21 -0.04 -0.01 -0.02 -0.04 7.03 6.91 2nv5A1 ASN 1374 HD22 -0.04 -0.03 0.07 -0.04 7.74 7.69 2nv5A1 GLY 1375 H -0.03 0.24 0.26 -0.55 8.43 8.35 2nv5A1 GLY 1375 HA2 -0.01 -0.03 0.34 -0.51 4.01 3.80 2nv5A1 GLY 1375 HA3 -0.02 0.15 0.70 -0.51 4.01 4.33 2nv5A1 SER 1376 H -0.04 0.31 -0.27 -0.55 8.46 7.92 2nv5A1 SER 1376 HA 0.08 0.14 0.82 -0.75 4.49 4.78 2nv5A1 SER 1376 HB2 0.14 0.05 -0.00 -0.04 3.95 4.10 2nv5A1 SER 1376 HB3 0.03 0.02 0.03 -0.04 3.93 3.97 2nv5A1 SER 1377 H 0.13 0.10 0.18 -0.55 8.46 8.32 2nv5A1 SER 1377 HA 0.16 0.24 0.90 -0.75 4.49 5.04 2nv5A1 SER 1377 HB2 0.09 0.01 0.13 -0.04 3.95 4.15 2nv5A1 SER 1377 HB3 0.08 0.00 0.02 -0.04 3.93 3.99 2nv5A1 GLU 1378 H 0.25 -0.05 0.05 -0.55 8.60 8.30 2nv5A1 GLU 1378 HA 0.11 0.05 0.49 -0.75 4.29 4.18 2nv5A1 GLU 1378 HB2 0.47 -0.07 0.03 -0.04 2.09 2.48 2nv5A1 GLU 1378 HB3 -0.00 0.14 -0.12 -0.04 1.99 1.97 2nv5A1 GLU 1378 HG2 0.04 0.04 0.05 -0.04 2.34 2.43 2nv5A1 GLU 1378 HG3 0.16 -0.12 0.07 -0.04 2.34 2.41 2nv5A1 LYS 1379 H -0.00 0.14 0.23 -0.55 8.42 8.23 2nv5A1 LYS 1379 HA -0.46 0.35 0.99 -0.75 4.32 4.44 2nv5A1 LYS 1379 HB2 -0.08 -0.01 0.08 -0.04 1.87 1.82 2nv5A1 LYS 1379 HB3 -0.08 -0.05 0.10 -0.04 1.79 1.72 2nv5A1 LYS 1379 HG2 -0.24 0.10 -0.07 -0.04 1.46 1.22 2nv5A1 LYS 1379 HG3 -0.79 0.01 0.02 -0.04 1.46 0.67 2nv5A1 LYS 1379 HD2 0.04 -0.03 -0.04 -0.04 1.69 1.62 2nv5A1 LYS 1379 HD3 0.05 -0.03 -0.02 -0.04 1.68 1.64 2nv5A1 LYS 1379 HE2 -0.02 -0.02 -0.09 -0.04 2.99 2.82 2nv5A1 LYS 1379 HE3 -0.04 0.05 -0.21 -0.04 2.99 2.75 2nv5A1 ARG 1380 H -0.09 0.56 0.27 -0.55 8.46 8.64 2nv5A1 ARG 1380 HA -0.16 0.18 0.94 -0.75 4.34 4.55 2nv5A1 ARG 1380 HB2 -0.08 -0.07 -0.01 -0.04 1.90 1.70 2nv5A1 ARG 1380 HB3 -0.22 0.14 0.03 -0.04 1.80 1.71 2nv5A1 ARG 1380 HG2 -0.71 -0.13 -0.43 -0.04 1.67 0.37 2nv5A1 ARG 1380 HG3 -1.68 -0.01 -0.11 -0.04 1.67 -0.17 2nv5A1 ARG 1380 HD2 -0.52 0.10 -0.00 -0.04 3.22 2.75 2nv5A1 ARG 1380 HD3 -0.39 0.05 -0.01 -0.04 3.22 2.83 2nv5A1 GLU 1381 H -0.05 0.24 0.19 -0.55 8.60 8.44 2nv5A1 GLU 1381 HA 0.04 0.32 1.10 -0.75 4.29 5.00 2nv5A1 GLU 1381 HB2 -0.01 -0.05 0.02 -0.04 2.09 2.01 2nv5A1 GLU 1381 HB3 0.00 0.01 0.15 -0.04 1.99 2.11 2nv5A1 GLU 1381 HG2 0.02 -0.02 -0.05 -0.04 2.34 2.24 2nv5A1 GLU 1381 HG3 0.04 0.08 0.03 -0.04 2.34 2.44 2nv5A1 VAL 1382 H 0.17 0.53 0.31 -0.55 8.24 8.70 2nv5A1 VAL 1382 HA 0.14 0.38 0.96 -0.75 4.13 4.86 2nv5A1 VAL 1382 HB 0.41 -0.12 -0.05 -0.04 2.12 2.32 2nv5A1 VAL 1382 HG13 0.30 -0.03 -0.37 -0.04 0.97 0.84 2nv5A1 VAL 1382 HG23 0.21 0.03 -0.35 -0.04 0.95 0.80 2nv5A1 ARG 1383 H 0.14 0.64 0.36 -0.55 8.46 9.05 2nv5A1 ARG 1383 HA 0.10 0.29 1.21 -0.75 4.34 5.18 2nv5A1 ARG 1383 HB2 -0.32 -0.03 -0.04 -0.04 1.90 1.47 2nv5A1 ARG 1383 HB3 -0.11 -0.05 0.14 -0.04 1.80 1.74 2nv5A1 ARG 1383 HG2 0.07 0.01 0.05 -0.04 1.67 1.76 2nv5A1 ARG 1383 HG3 0.21 0.03 0.08 -0.04 1.67 1.95 2nv5A1 ARG 1383 HD2 0.16 0.10 -0.01 -0.04 3.22 3.42 2nv5A1 ARG 1383 HD3 -0.21 -0.06 -0.08 -0.04 3.22 2.84 2nv5A1 GLN 1384 H 0.00 0.71 0.37 -0.55 8.47 9.00 2nv5A1 GLN 1384 HA 0.16 0.31 1.03 -0.75 4.36 5.10 2nv5A1 GLN 1384 HB2 0.29 0.02 -0.06 -0.04 2.15 2.36 2nv5A1 GLN 1384 HB3 0.20 -0.02 0.14 -0.04 2.02 2.30 2nv5A1 GLN 1384 HG2 -0.05 -0.05 -0.45 -0.04 2.40 1.81 2nv5A1 GLN 1384 HG3 0.07 0.02 -0.16 -0.04 2.39 2.27 2nv5A1 GLN 1384 HE21 -1.67 -0.04 -0.13 -0.04 6.97 5.09 2nv5A1 GLN 1384 HE22 0.00 0.03 -0.15 -0.04 7.69 7.52 2nv5A1 PHE 1385 H 0.31 0.82 0.43 -0.55 8.34 9.34 2nv5A1 PHE 1385 HA 0.17 0.25 1.12 -0.75 4.62 5.40 2nv5A1 PHE 1385 HB2 0.04 -0.01 0.25 -0.04 3.15 3.39 2nv5A1 PHE 1385 HB3 0.11 -0.04 0.01 -0.04 3.06 3.09 2nv5A1 PHE 1385 HD2 -0.03 0.02 -0.09 -0.04 7.28 7.15 2nv5A1 PHE 1385 HE2 0.00 0.04 -0.14 -0.04 7.38 7.23 2nv5A1 PHE 1385 HZ -0.01 0.06 -0.10 -0.04 7.32 7.23 2nv5A1 GLN 1386 H 0.22 0.56 0.23 -0.55 8.47 8.94 2nv5A1 GLN 1386 HA 0.14 0.30 1.11 -0.75 4.36 5.16 2nv5A1 GLN 1386 HB2 -0.06 -0.02 -0.03 -0.04 2.15 1.99 2nv5A1 GLN 1386 HB3 0.05 -0.13 0.15 -0.04 2.02 2.05 2nv5A1 GLN 1386 HG2 0.06 0.06 -0.44 -0.04 2.40 2.04 2nv5A1 GLN 1386 HG3 0.04 0.05 -0.02 -0.04 2.39 2.42 2nv5A1 GLN 1386 HE21 0.18 -0.17 0.02 -0.04 6.97 6.96 2nv5A1 GLN 1386 HE22 0.11 0.47 0.14 -0.04 7.69 8.37 2nv5A1 PHE 1387 H 0.07 0.55 0.30 -0.55 8.34 8.71 2nv5A1 PHE 1387 HA -0.19 0.09 0.82 -0.75 4.62 4.58 2nv5A1 PHE 1387 HB2 -1.41 0.04 0.10 -0.04 3.15 1.84 2nv5A1 PHE 1387 HB3 -0.25 -0.03 0.14 -0.04 3.06 2.87 2nv5A1 PHE 1387 HD2 -0.17 0.03 -0.05 -0.04 7.28 7.05 2nv5A1 PHE 1387 HE2 0.21 0.04 -0.21 -0.04 7.38 7.39 2nv5A1 PHE 1387 HZ 0.19 -0.03 -0.20 -0.04 7.32 7.24 2nv5A1 THR 1388 H -0.34 0.69 0.29 -0.55 8.28 8.37 2nv5A1 THR 1388 HA -0.10 0.16 0.72 -0.75 4.39 4.42 2nv5A1 THR 1388 HB -0.05 -0.01 0.06 -0.04 4.32 4.27 2nv5A1 THR 1388 HG23 0.02 0.01 -0.23 -0.04 1.22 0.98 2nv5A1 ALA 1389 H -1.32 0.09 -0.01 -0.55 8.40 6.62 2nv5A1 ALA 1389 HA -0.18 0.25 0.72 -0.75 4.34 4.38 2nv5A1 ALA 1389 HB3 -0.32 -0.01 0.08 -0.04 1.41 1.12 2nv5A1 TRP 1390 H -0.00 0.06 -0.26 -0.55 7.97 7.22 2nv5A1 TRP 1390 HA 0.04 0.07 0.65 -0.75 4.62 4.63 2nv5A1 TRP 1390 HB2 0.20 -0.07 0.03 -0.04 3.23 3.35 2nv5A1 TRP 1390 HB3 -0.01 0.02 0.01 -0.04 3.23 3.21 2nv5A1 TRP 1390 HD1 -0.09 0.34 -0.21 -0.04 7.22 7.22 2nv5A1 TRP 1390 HE1 -0.16 0.18 0.02 -0.04 10.20 10.20 2nv5A1 TRP 1390 HE3 -0.15 -0.01 0.00 -0.04 7.59 7.39 2nv5A1 TRP 1390 HZ2 -0.30 -0.08 -0.05 -0.04 7.44 6.98 2nv5A1 TRP 1390 HZ3 -0.73 0.01 -0.01 -0.04 7.13 6.36 2nv5A1 TRP 1390 HH2 -0.41 -0.03 -0.00 -0.04 7.19 6.71 2nv5A1 PRO 1391 HA 0.01 0.05 0.35 -0.51 4.44 4.34 2nv5A1 PRO 1391 HB2 -0.02 0.05 -0.11 -0.04 2.28 2.16 2nv5A1 PRO 1391 HB3 -0.07 -0.02 0.04 -0.04 2.02 1.92 2nv5A1 PRO 1391 HG2 -0.28 0.19 -0.57 -0.04 2.03 1.32 2nv5A1 PRO 1391 HG3 -0.29 0.02 -0.30 -0.04 2.03 1.42 2nv5A1 PRO 1391 HD2 -1.21 0.03 0.06 -0.04 3.68 2.52 2nv5A1 PRO 1391 HD3 -0.38 0.13 0.15 -0.04 3.65 3.52 2nv5A1 ASP 1392 H 0.03 0.10 0.12 -0.55 8.40 8.10 2nv5A1 ASP 1392 HA -0.03 0.06 0.43 -0.75 4.63 4.34 2nv5A1 ASP 1392 HB2 0.06 -0.01 0.11 -0.04 2.71 2.83 2nv5A1 ASP 1392 HB3 -0.14 0.02 -0.01 -0.04 2.70 2.53 2nv5A1 HIS 1393 H 0.10 0.11 -0.20 -0.55 8.41 7.86 2nv5A1 HIS 1393 HA 0.03 0.16 0.87 -0.75 4.63 4.94 2nv5A1 HIS 1393 HB2 -0.01 -0.03 0.02 -0.04 3.26 3.21 2nv5A1 HIS 1393 HB3 -0.01 0.00 -0.06 -0.04 3.20 3.09 2nv5A1 HIS 1393 HD2 0.00 -0.06 -0.10 -0.04 6.97 6.77 2nv5A1 HIS 1393 HE1 0.00 0.02 -0.03 -0.04 7.75 7.70 2nv5A1 GLY 1394 H 0.10 0.09 0.06 -0.55 8.43 8.13 2nv5A1 GLY 1394 HA2 0.04 -0.06 0.27 -0.51 4.01 3.75 2nv5A1 GLY 1394 HA3 -0.00 0.09 0.32 -0.51 4.01 3.91 2nv5A1 VAL 1395 H -0.14 0.12 0.12 -0.55 8.24 7.78 2nv5A1 VAL 1395 HA -0.75 0.16 0.66 -0.75 4.13 3.44 2nv5A1 VAL 1395 HB -0.98 0.06 0.05 -0.04 2.12 1.21 2nv5A1 VAL 1395 HG13 0.06 -0.02 -0.28 -0.04 0.97 0.69 2nv5A1 VAL 1395 HG23 -0.12 0.05 -0.05 -0.04 0.95 0.79 2nv5A1 PRO 1396 HA -0.42 0.02 0.52 -0.51 4.44 4.05 2nv5A1 PRO 1396 HB2 -0.19 0.01 -0.13 -0.04 2.28 1.93 2nv5A1 PRO 1396 HB3 -0.18 0.06 0.12 -0.04 2.02 1.98 2nv5A1 PRO 1396 HG2 -1.02 -0.01 0.05 -0.04 2.03 1.00 2nv5A1 PRO 1396 HG3 -0.88 0.08 0.11 -0.04 2.03 1.30 2nv5A1 PRO 1396 HD2 -2.79 0.05 0.15 -0.04 3.68 1.04 2nv5A1 PRO 1396 HD3 -3.62 0.14 0.19 -0.04 3.65 0.32 2nv5A1 GLU 1397 H -0.19 0.10 0.21 -0.55 8.60 8.17 2nv5A1 GLU 1397 HA -0.21 0.10 0.52 -0.75 4.29 3.95 2nv5A1 GLU 1397 HB2 -0.18 0.02 0.19 -0.04 2.09 2.08 2nv5A1 GLU 1397 HB3 -0.29 -0.06 0.15 -0.04 1.99 1.75 2nv5A1 GLU 1397 HG2 -0.63 0.01 -0.02 -0.04 2.34 1.66 2nv5A1 GLU 1397 HG3 -0.21 0.01 0.08 -0.04 2.34 2.18 2nv5A1 HIS 1398 H -0.03 0.08 0.01 -0.55 8.41 7.92 2nv5A1 HIS 1398 HA 0.06 0.32 0.85 -0.75 4.63 5.11 2nv5A1 HIS 1398 HB2 0.05 -0.04 0.07 -0.04 3.26 3.30 2nv5A1 HIS 1398 HB3 0.05 -0.02 0.09 -0.04 3.20 3.27 2nv5A1 HIS 1398 HD2 0.02 0.08 0.03 -0.04 6.97 7.05 2nv5A1 HIS 1398 HE1 0.01 0.01 -0.03 -0.04 7.75 7.69 2nv5A1 PRO 1399 HA 0.32 0.08 0.54 -0.51 4.44 4.86 2nv5A1 PRO 1399 HB2 -0.01 0.09 -0.04 -0.04 2.28 2.27 2nv5A1 PRO 1399 HB3 -0.24 0.00 0.12 -0.04 2.02 1.86 2nv5A1 PRO 1399 HG2 -0.05 0.14 -0.14 -0.04 2.03 1.95 2nv5A1 PRO 1399 HG3 -0.18 0.04 -0.13 -0.04 2.03 1.71 2nv5A1 PRO 1399 HD2 0.12 0.12 0.16 -0.04 3.68 4.03 2nv5A1 PRO 1399 HD3 0.14 0.25 0.12 -0.04 3.65 4.13 2nv5A1 THR 1400 H 0.16 0.06 -0.46 -0.55 8.28 7.49 2nv5A1 THR 1400 HA 0.07 0.10 0.08 -0.75 4.39 3.88 2nv5A1 THR 1400 HB 0.09 0.03 0.01 -0.04 4.32 4.40 2nv5A1 THR 1400 HG23 0.03 0.02 -0.06 -0.04 1.22 1.17 2nv5A1 PRO 1401 HA 0.22 0.10 0.51 -0.51 4.44 4.76 2nv5A1 PRO 1401 HB2 0.45 0.05 -0.04 -0.04 2.28 2.70 2nv5A1 PRO 1401 HB3 0.28 0.02 0.06 -0.04 2.02 2.33 2nv5A1 PRO 1401 HG2 0.18 0.08 0.05 -0.04 2.03 2.30 2nv5A1 PRO 1401 HG3 0.16 0.05 0.03 -0.04 2.03 2.24 2nv5A1 PRO 1401 HD2 0.23 0.27 -0.13 -0.04 3.68 4.00 2nv5A1 PRO 1401 HD3 0.17 0.03 0.05 -0.04 3.65 3.86 2nv5A1 PHE 1402 H 0.37 0.21 -0.28 -0.55 8.34 8.08 2nv5A1 PHE 1402 HA -0.34 0.03 0.40 -0.75 4.62 3.95 2nv5A1 PHE 1402 HB2 -0.00 -0.01 0.06 -0.04 3.15 3.15 2nv5A1 PHE 1402 HB3 0.16 0.12 0.11 -0.04 3.06 3.40 2nv5A1 PHE 1402 HD2 -0.46 0.00 -0.05 -0.04 7.28 6.74 2nv5A1 PHE 1402 HE2 0.13 0.03 -0.08 -0.04 7.38 7.42 2nv5A1 PHE 1402 HZ 0.13 -0.02 -0.04 -0.04 7.32 7.36 2nv5A1 LEU 1403 H 0.10 0.61 -0.07 -0.55 8.37 8.47 2nv5A1 LEU 1403 HA -0.31 0.01 0.34 -0.75 4.35 3.64 2nv5A1 LEU 1403 HB2 -0.01 0.10 0.05 -0.04 1.64 1.75 2nv5A1 LEU 1403 HB3 -0.07 0.02 -0.03 -0.04 1.64 1.51 2nv5A1 LEU 1403 HG 0.04 -0.00 0.05 -0.04 1.64 1.69 2nv5A1 LEU 1403 HD13 -0.03 0.03 -0.08 -0.04 0.93 0.81 2nv5A1 LEU 1403 HD23 -0.09 -0.01 -0.05 -0.04 0.89 0.69 2nv5A1 ALA 1404 H 0.03 0.35 -0.35 -0.55 8.40 7.89 2nv5A1 ALA 1404 HA -0.03 0.07 0.43 -0.75 4.34 4.06 2nv5A1 ALA 1404 HB3 0.11 0.02 0.07 -0.04 1.41 1.57 2nv5A1 PHE 1405 H 0.09 0.48 -0.16 -0.55 8.34 8.20 2nv5A1 PHE 1405 HA -0.42 -0.02 0.40 -0.75 4.62 3.82 2nv5A1 PHE 1405 HB2 0.10 -0.05 0.08 -0.04 3.15 3.23 2nv5A1 PHE 1405 HB3 -0.37 0.22 0.24 -0.04 3.06 3.12 2nv5A1 PHE 1405 HD2 -0.45 0.01 -0.10 -0.04 7.28 6.69 2nv5A1 PHE 1405 HE2 0.22 -0.02 -0.24 -0.04 7.38 7.30 2nv5A1 PHE 1405 HZ 0.12 0.17 -0.10 -0.04 7.32 7.47 2nv5A1 LEU 1406 H -0.38 0.56 -0.16 -0.55 8.37 7.84 2nv5A1 LEU 1406 HA -0.45 -0.01 0.32 -0.75 4.35 3.46 2nv5A1 LEU 1406 HB2 -0.80 -0.04 0.03 -0.04 1.64 0.79 2nv5A1 LEU 1406 HB3 -0.46 0.15 0.09 -0.04 1.64 1.38 2nv5A1 LEU 1406 HG -0.32 0.05 -0.22 -0.04 1.64 1.11 2nv5A1 LEU 1406 HD13 -0.62 -0.02 0.01 -0.04 0.93 0.26 2nv5A1 LEU 1406 HD23 -0.40 -0.01 -0.12 -0.04 0.89 0.32 2nv5A1 ARG 1407 H -0.23 0.47 -0.19 -0.55 8.46 7.96 2nv5A1 ARG 1407 HA -0.17 0.04 0.45 -0.75 4.34 3.91 2nv5A1 ARG 1407 HB2 -0.10 0.09 0.14 -0.04 1.90 1.99 2nv5A1 ARG 1407 HB3 -0.09 -0.03 -0.03 -0.04 1.80 1.61 2nv5A1 ARG 1407 HG2 -0.11 -0.02 0.02 -0.04 1.67 1.52 2nv5A1 ARG 1407 HG3 -0.12 0.23 0.08 -0.04 1.67 1.82 2nv5A1 ARG 1407 HD2 -0.04 -0.03 -0.01 -0.04 3.22 3.09 2nv5A1 ARG 1407 HD3 -0.05 -0.00 -0.02 -0.04 3.22 3.11 2nv5A1 ARG 1408 H -0.23 0.46 -0.21 -0.55 8.46 7.93 2nv5A1 ARG 1408 HA -0.09 0.01 0.36 -0.75 4.34 3.86 2nv5A1 ARG 1408 HB2 -0.02 -0.02 0.09 -0.04 1.90 1.90 2nv5A1 ARG 1408 HB3 -0.37 0.16 0.18 -0.04 1.80 1.73 2nv5A1 ARG 1408 HG2 0.25 -0.07 -0.08 -0.04 1.67 1.73 2nv5A1 ARG 1408 HG3 0.11 0.03 -0.26 -0.04 1.67 1.51 2nv5A1 ARG 1408 HD2 0.09 0.02 0.00 -0.04 3.22 3.29 2nv5A1 ARG 1408 HD3 0.22 -0.05 -0.04 -0.04 3.22 3.32 2nv5A1 VAL 1409 H -0.68 0.51 -0.10 -0.55 8.24 7.41 2nv5A1 VAL 1409 HA -1.46 -0.00 0.31 -0.75 4.13 2.22 2nv5A1 VAL 1409 HB -0.39 0.12 0.09 -0.04 2.12 1.89 2nv5A1 VAL 1409 HG13 -0.32 -0.01 -0.15 -0.04 0.97 0.45 2nv5A1 VAL 1409 HG23 -1.17 0.04 -0.02 -0.04 0.95 -0.25 2nv5A1 LYS 1410 H -0.27 0.55 -0.20 -0.55 8.42 7.94 2nv5A1 LYS 1410 HA -0.11 0.02 0.34 -0.75 4.32 3.82 2nv5A1 LYS 1410 HB2 -0.14 0.07 0.13 -0.04 1.87 1.89 2nv5A1 LYS 1410 HB3 -0.09 -0.03 0.05 -0.04 1.79 1.68 2nv5A1 LYS 1410 HG2 -0.17 0.15 0.06 -0.04 1.46 1.45 2nv5A1 LYS 1410 HG3 -0.13 -0.07 -0.01 -0.04 1.46 1.22 2nv5A1 LYS 1410 HD2 -0.04 0.02 -0.05 -0.04 1.69 1.57 2nv5A1 LYS 1410 HD3 -0.01 -0.08 -0.04 -0.04 1.68 1.51 2nv5A1 LYS 1410 HE2 -0.05 0.05 0.03 -0.04 2.99 2.99 2nv5A1 LYS 1410 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.93 2nv5A1 THR 1411 H -0.14 0.43 -0.28 -0.55 8.28 7.74 2nv5A1 THR 1411 HA -0.05 0.08 0.60 -0.75 4.39 4.27 2nv5A1 THR 1411 HB -0.02 -0.08 0.10 -0.04 4.32 4.28 2nv5A1 THR 1411 HG23 -0.05 0.07 -0.00 -0.04 1.22 1.19 2nv5A1 CYS 1412 H -0.11 0.36 -0.35 -0.55 8.50 7.84 2nv5A1 CYS 1412 HA 0.03 0.18 0.92 -0.75 4.58 4.97 2nv5A1 CYS 1412 HB2 0.21 0.03 0.02 -0.04 2.97 3.19 2nv5A1 CYS 1412 HB3 0.21 -0.08 0.11 -0.04 2.97 3.17 2nv5A1 ASN 1413 H -0.05 0.25 -0.21 -0.55 8.53 7.97 2nv5A1 ASN 1413 HA 0.03 0.11 0.85 -0.75 4.76 4.99 2nv5A1 ASN 1413 HB2 -0.03 -0.03 0.03 -0.04 2.88 2.80 2nv5A1 ASN 1413 HB3 -0.03 0.01 0.11 -0.04 2.79 2.83 2nv5A1 ASN 1413 HD21 -0.03 0.05 -0.03 -0.04 7.03 6.98 2nv5A1 ASN 1413 HD22 -0.03 -0.05 -0.05 -0.04 7.74 7.57 2nv5A1 PRO 1414 HA -0.01 0.12 0.42 -0.51 4.44 4.46 2nv5A1 PRO 1414 HB2 -0.01 -0.11 0.02 -0.04 2.28 2.14 2nv5A1 PRO 1414 HB3 -0.01 0.02 0.10 -0.04 2.02 2.09 2nv5A1 PRO 1414 HG2 0.00 0.02 0.10 -0.04 2.03 2.12 2nv5A1 PRO 1414 HG3 0.01 0.05 0.07 -0.04 2.03 2.12 2nv5A1 PRO 1414 HD2 0.02 0.01 0.22 -0.04 3.68 3.88 2nv5A1 PRO 1414 HD3 0.04 0.44 0.30 -0.04 3.65 4.39 2nv5A1 PRO 1415 HA -0.03 0.16 0.43 -0.51 4.44 4.49 2nv5A1 PRO 1415 HB2 -0.03 0.00 0.09 -0.04 2.28 2.31 2nv5A1 PRO 1415 HB3 -0.02 0.04 0.14 -0.04 2.02 2.13 2nv5A1 PRO 1415 HG2 -0.02 0.02 -0.01 -0.04 2.03 1.98 2nv5A1 PRO 1415 HG3 -0.02 0.01 0.07 -0.04 2.03 2.05 2nv5A1 PRO 1415 HD2 -0.01 0.04 0.21 -0.04 3.68 3.87 2nv5A1 PRO 1415 HD3 -0.02 0.19 0.21 -0.04 3.65 3.99 2nv5A1 ASP 1416 H -0.03 0.00 -0.59 -0.55 8.40 7.24 2nv5A1 ASP 1416 HA -0.03 0.19 0.65 -0.75 4.63 4.68 2nv5A1 ASP 1416 HB2 -0.03 0.00 0.11 -0.04 2.71 2.75 2nv5A1 ASP 1416 HB3 -0.03 -0.04 -0.06 -0.04 2.70 2.54 2nv5A1 ALA 1417 H -0.03 0.20 -0.15 -0.55 8.40 7.87 2nv5A1 ALA 1417 HA -0.04 0.12 0.69 -0.75 4.34 4.36 2nv5A1 ALA 1417 HB3 -0.02 -0.01 0.13 -0.04 1.41 1.47 2nv5A1 GLY 1418 H -0.04 0.51 0.17 -0.55 8.43 8.52 2nv5A1 GLY 1418 HA2 -0.03 0.02 0.53 -0.51 4.01 4.02 2nv5A1 GLY 1418 HA3 -0.02 0.32 0.27 -0.51 4.01 4.07 2nv5A1 PRO 1419 HA -0.04 0.18 0.32 -0.51 4.44 4.40 2nv5A1 PRO 1419 HB2 0.10 -0.14 -0.31 -0.04 2.28 1.88 2nv5A1 PRO 1419 HB3 0.09 0.06 -0.44 -0.04 2.02 1.69 2nv5A1 PRO 1419 HG2 0.27 -0.08 -0.02 -0.04 2.03 2.16 2nv5A1 PRO 1419 HG3 0.04 0.22 0.08 -0.04 2.03 2.32 2nv5A1 PRO 1419 HD2 0.05 0.11 0.13 -0.04 3.68 3.93 2nv5A1 PRO 1419 HD3 0.01 0.10 0.20 -0.04 3.65 3.92 2nv5A1 MET 1420 H -0.04 0.47 0.33 -0.55 8.47 8.69 2nv5A1 MET 1420 HA 0.04 0.07 0.74 -0.75 4.52 4.62 2nv5A1 MET 1420 HB2 0.04 0.06 0.14 -0.04 2.15 2.36 2nv5A1 MET 1420 HB3 0.18 -0.05 0.16 -0.04 2.03 2.28 2nv5A1 MET 1420 HG2 0.09 -0.02 -0.38 -0.04 2.63 2.28 2nv5A1 MET 1420 HG3 0.06 -0.01 -0.10 -0.04 2.56 2.47 2nv5A1 MET 1420 HE3 0.05 0.02 -0.06 -0.04 2.10 2.07 2nv5A1 VAL 1421 H 0.03 0.63 0.38 -0.55 8.24 8.74 2nv5A1 VAL 1421 HA 0.03 0.11 0.75 -0.75 4.13 4.27 2nv5A1 VAL 1421 HB -0.01 -0.05 0.22 -0.04 2.12 2.24 2nv5A1 VAL 1421 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 2nv5A1 VAL 1421 HG23 -0.13 0.03 -0.06 -0.04 0.95 0.75 2nv5A1 VAL 1422 H 0.04 0.86 0.43 -0.55 8.24 9.02 2nv5A1 VAL 1422 HA -0.11 0.18 1.05 -0.75 4.13 4.48 2nv5A1 VAL 1422 HB -0.03 -0.02 0.09 -0.04 2.12 2.12 2nv5A1 VAL 1422 HG13 -0.23 -0.04 -0.04 -0.04 0.97 0.62 2nv5A1 VAL 1422 HG23 -0.06 0.03 -0.19 -0.04 0.95 0.70 2nv5A1 HIS 1423 H -0.18 0.77 0.37 -0.55 8.41 8.83 2nv5A1 HIS 1423 HA -0.05 0.11 0.78 -0.75 4.63 4.72 2nv5A1 HIS 1423 HB2 -0.05 0.14 -0.25 -0.04 3.26 3.06 2nv5A1 HIS 1423 HB3 -0.00 0.03 -0.36 -0.04 3.20 2.82 2nv5A1 HIS 1423 HD2 0.06 0.02 -0.22 -0.04 6.97 6.78 2nv5A1 HIS 1423 HE1 0.21 -0.02 -0.10 -0.04 7.75 7.80 2nv5A1 CYS 1424 H 0.05 0.12 0.04 -0.55 8.50 8.16 2nv5A1 CYS 1424 HA -0.03 0.17 0.51 -0.75 4.58 4.47 2nv5A1 CYS 1424 HB2 -0.15 0.10 0.18 -0.04 2.97 3.06 2nv5A1 CYS 1424 HB3 -0.18 0.12 0.04 -0.04 2.97 2.91 2nv5A1 SER 1425 H -0.05 -0.05 0.21 -0.55 8.46 8.02 2nv5A1 SER 1425 HA 0.08 0.51 0.97 -0.75 4.49 5.30 2nv5A1 SER 1425 HB2 0.17 0.13 0.14 -0.04 3.95 4.36 2nv5A1 SER 1425 HB3 0.04 0.09 0.18 -0.04 3.93 4.20 2nv5A1 ALA 1426 H -0.06 -0.08 0.21 -0.55 8.40 7.92 2nv5A1 ALA 1426 HA 0.12 0.31 0.85 -0.75 4.34 4.87 2nv5A1 ALA 1426 HB3 -0.23 0.01 0.07 -0.04 1.41 1.22 2nv5A1 GLY 1427 H -0.03 -0.21 -0.09 -0.55 8.43 7.55 2nv5A1 GLY 1427 HA2 -0.02 -0.11 0.22 -0.51 4.01 3.58 2nv5A1 GLY 1427 HA3 -0.02 0.30 -0.02 -0.51 4.01 3.77 2nv5A1 VAL 1428 H -0.07 -0.30 -0.10 -0.55 8.24 7.22 2nv5A1 VAL 1428 HA -0.04 0.33 0.79 -0.75 4.13 4.46 2nv5A1 VAL 1428 HB 0.03 0.12 -0.29 -0.04 2.12 1.94 2nv5A1 VAL 1428 HG13 -0.02 0.08 -0.35 -0.04 0.97 0.63 2nv5A1 VAL 1428 HG23 -0.04 -0.05 -0.16 -0.04 0.95 0.66 2nv5A1 GLY 1429 H -0.10 -0.09 0.12 -0.55 8.43 7.81 2nv5A1 GLY 1429 HA2 -0.04 0.05 0.70 -0.51 4.01 4.20 2nv5A1 GLY 1429 HA3 -0.12 0.10 0.42 -0.51 4.01 3.90 2nv5A1 ARG 1430 H -0.32 0.14 0.17 -0.55 8.46 7.90 2nv5A1 ARG 1430 HA -0.57 0.12 0.44 -0.75 4.34 3.57 2nv5A1 ARG 1430 HB2 -0.49 -0.07 0.12 -0.04 1.90 1.42 2nv5A1 ARG 1430 HB3 -0.89 0.12 0.10 -0.04 1.80 1.10 2nv5A1 ARG 1430 HG2 -2.09 0.03 0.07 -0.04 1.67 -0.36 2nv5A1 ARG 1430 HG3 -0.73 -0.14 0.13 -0.04 1.67 0.89 2nv5A1 ARG 1430 HD2 -0.64 0.08 0.13 -0.04 3.22 2.75 2nv5A1 ARG 1430 HD3 -1.63 0.06 0.11 -0.04 3.22 1.72 2nv5A1 THR 1431 H -0.16 -0.11 -0.36 -0.55 8.28 7.10 2nv5A1 THR 1431 HA -0.04 0.14 0.29 -0.75 4.39 4.03 2nv5A1 THR 1431 HB -0.05 -0.13 -0.49 -0.04 4.32 3.61 2nv5A1 THR 1431 HG23 -0.03 0.07 -0.23 -0.04 1.22 0.99 2nv5A1 GLY 1432 H -0.04 0.09 -0.64 -0.55 8.43 7.29 2nv5A1 GLY 1432 HA2 0.02 0.13 0.25 -0.51 4.01 3.90 2nv5A1 GLY 1432 HA3 0.03 0.02 0.25 -0.51 4.01 3.80 2nv5A1 CYS 1433 H 0.00 0.29 -0.29 -0.55 8.50 7.95 2nv5A1 CYS 1433 HA 0.12 0.04 0.42 -0.75 4.58 4.41 2nv5A1 CYS 1433 HB2 -0.03 0.11 0.16 -0.04 2.97 3.17 2nv5A1 CYS 1433 HB3 0.21 0.00 -0.03 -0.04 2.97 3.12 2nv5A1 PHE 1434 H 0.15 0.53 -0.12 -0.55 8.34 8.35 2nv5A1 PHE 1434 HA 0.46 -0.00 0.35 -0.75 4.62 4.68 2nv5A1 PHE 1434 HB2 0.17 -0.03 0.06 -0.04 3.15 3.31 2nv5A1 PHE 1434 HB3 0.02 0.11 0.11 -0.04 3.06 3.26 2nv5A1 PHE 1434 HD2 0.21 -0.00 -0.19 -0.04 7.28 7.26 2nv5A1 PHE 1434 HE2 0.02 0.03 -0.11 -0.04 7.38 7.28 2nv5A1 PHE 1434 HZ -0.07 0.06 -0.08 -0.04 7.32 7.18 2nv5A1 ILE 1435 H 0.12 0.50 -0.25 -0.55 8.25 8.07 2nv5A1 ILE 1435 HA -0.32 0.04 0.20 -0.75 4.18 3.34 2nv5A1 ILE 1435 HB -0.06 0.03 0.04 -0.04 1.89 1.86 2nv5A1 ILE 1435 HG12 -0.72 0.00 -0.09 -0.04 1.49 0.64 2nv5A1 ILE 1435 HG13 0.00 0.05 -0.00 -0.04 1.21 1.22 2nv5A1 ILE 1435 HG23 -0.37 -0.01 -0.19 -0.04 0.93 0.32 2nv5A1 ILE 1435 HD13 -0.06 -0.01 -0.18 -0.04 0.88 0.58 2nv5A1 VAL 1436 H 0.04 0.58 -0.15 -0.55 8.24 8.17 2nv5A1 VAL 1436 HA 0.12 0.06 0.38 -0.75 4.13 3.93 2nv5A1 VAL 1436 HB 0.08 0.01 0.06 -0.04 2.12 2.22 2nv5A1 VAL 1436 HG13 0.09 -0.03 -0.09 -0.04 0.97 0.89 2nv5A1 VAL 1436 HG23 0.16 0.11 -0.02 -0.04 0.95 1.16 2nv5A1 ILE 1437 H 0.01 0.58 -0.16 -0.55 8.25 8.14 2nv5A1 ILE 1437 HA -0.06 -0.00 0.47 -0.75 4.18 3.84 2nv5A1 ILE 1437 HB 0.11 0.14 0.12 -0.04 1.89 2.22 2nv5A1 ILE 1437 HG12 -0.01 -0.00 0.05 -0.04 1.49 1.49 2nv5A1 ILE 1437 HG13 0.07 0.02 0.08 -0.04 1.21 1.34 2nv5A1 ILE 1437 HG23 -0.01 -0.02 -0.15 -0.04 0.93 0.72 2nv5A1 ILE 1437 HD13 0.22 -0.03 -0.09 -0.04 0.88 0.95 2nv5A1 ASP 1438 H -0.24 0.65 -0.06 -0.55 8.40 8.21 2nv5A1 ASP 1438 HA -0.20 0.02 0.42 -0.75 4.63 4.12 2nv5A1 ASP 1438 HB2 -0.58 0.03 0.09 -0.04 2.71 2.21 2nv5A1 ASP 1438 HB3 -0.12 0.09 0.10 -0.04 2.70 2.72 2nv5A1 ALA 1439 H -0.06 0.51 -0.24 -0.55 8.40 8.07 2nv5A1 ALA 1439 HA 0.03 -0.00 0.35 -0.75 4.34 3.97 2nv5A1 ALA 1439 HB3 -0.15 0.03 0.08 -0.04 1.41 1.32 2nv5A1 MET 1440 H -0.13 0.56 -0.19 -0.55 8.47 8.16 2nv5A1 MET 1440 HA -0.22 -0.02 0.46 -0.75 4.52 3.99 2nv5A1 MET 1440 HB2 -0.12 0.14 0.16 -0.04 2.15 2.30 2nv5A1 MET 1440 HB3 -0.13 -0.09 0.07 -0.04 2.03 1.84 2nv5A1 MET 1440 HG2 -0.14 0.21 0.06 -0.04 2.63 2.73 2nv5A1 MET 1440 HG3 -0.09 -0.09 -0.03 -0.04 2.56 2.31 2nv5A1 MET 1440 HE3 -0.26 0.04 -0.16 -0.04 2.10 1.68 2nv5A1 LEU 1441 H -0.13 0.56 -0.19 -0.55 8.37 8.08 2nv5A1 LEU 1441 HA -0.11 0.01 0.49 -0.75 4.35 3.99 2nv5A1 LEU 1441 HB2 -0.12 0.22 0.19 -0.04 1.64 1.88 2nv5A1 LEU 1441 HB3 -0.10 0.02 -0.06 -0.04 1.64 1.46 2nv5A1 LEU 1441 HG -0.10 0.01 -0.01 -0.04 1.64 1.50 2nv5A1 LEU 1441 HD13 -0.09 -0.02 -0.01 -0.04 0.93 0.77 2nv5A1 LEU 1441 HD23 -0.14 0.01 -0.10 -0.04 0.89 0.62 2nv5A1 GLU 1442 H -0.11 0.42 -0.16 -0.55 8.60 8.21 2nv5A1 GLU 1442 HA -0.06 0.06 0.51 -0.75 4.29 4.05 2nv5A1 GLU 1442 HB2 0.01 0.06 0.18 -0.04 2.09 2.30 2nv5A1 GLU 1442 HB3 0.07 0.00 0.07 -0.04 1.99 2.09 2nv5A1 GLU 1442 HG2 -0.03 -0.03 0.03 -0.04 2.34 2.27 2nv5A1 GLU 1442 HG3 -0.03 0.26 0.11 -0.04 2.34 2.64 2nv5A1 ARG 1443 H -0.38 0.44 -0.15 -0.55 8.46 7.82 2nv5A1 ARG 1443 HA -1.32 0.02 0.46 -0.75 4.34 2.75 2nv5A1 ARG 1443 HB2 -0.90 -0.01 0.11 -0.04 1.90 1.06 2nv5A1 ARG 1443 HB3 -0.37 0.15 0.24 -0.04 1.80 1.78 2nv5A1 ARG 1443 HG2 -0.23 0.33 -0.14 -0.04 1.67 1.59 2nv5A1 ARG 1443 HG3 -0.45 -0.06 0.01 -0.04 1.67 1.13 2nv5A1 ARG 1443 HD2 -0.05 0.02 -0.06 -0.04 3.22 3.09 2nv5A1 ARG 1443 HD3 -0.12 -0.21 -0.06 -0.04 3.22 2.79 2nv5A1 ILE 1444 H -0.20 0.56 -0.07 -0.55 8.25 7.99 2nv5A1 ILE 1444 HA -0.11 -0.12 0.52 -0.75 4.18 3.72 2nv5A1 ILE 1444 HB -0.10 0.17 0.17 -0.04 1.89 2.09 2nv5A1 ILE 1444 HG12 -0.08 -0.13 -0.09 -0.04 1.49 1.14 2nv5A1 ILE 1444 HG13 -0.12 0.15 0.08 -0.04 1.21 1.27 2nv5A1 ILE 1444 HG23 -0.06 -0.02 -0.12 -0.04 0.93 0.70 2nv5A1 ILE 1444 HD13 -0.09 -0.03 -0.07 -0.04 0.88 0.66 2nv5A1 LYS 1445 H -0.08 0.47 -0.22 -0.55 8.42 8.03 2nv5A1 LYS 1445 HA -0.03 0.01 0.45 -0.75 4.32 4.00 2nv5A1 LYS 1445 HB2 -0.04 0.06 0.16 -0.04 1.87 2.01 2nv5A1 LYS 1445 HB3 0.00 0.13 0.13 -0.04 1.79 2.00 2nv5A1 LYS 1445 HG2 0.02 -0.01 -0.02 -0.04 1.46 1.41 2nv5A1 LYS 1445 HG3 -0.01 -0.04 0.07 -0.04 1.46 1.44 2nv5A1 LYS 1445 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 2nv5A1 LYS 1445 HD3 0.00 -0.03 -0.00 -0.04 1.68 1.61 2nv5A1 LYS 1445 HE2 -0.03 -0.01 0.01 -0.04 2.99 2.91 2nv5A1 LYS 1445 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2nv5A1 HIS 1446 H 0.03 0.28 -0.33 -0.55 8.41 7.84 2nv5A1 HIS 1446 HA 0.02 0.12 0.65 -0.75 4.63 4.67 2nv5A1 HIS 1446 HB2 0.12 0.03 0.06 -0.04 3.26 3.43 2nv5A1 HIS 1446 HB3 0.12 0.01 0.13 -0.04 3.20 3.41 2nv5A1 HIS 1446 HD2 0.05 0.02 0.06 -0.04 6.97 7.05 2nv5A1 HIS 1446 HE1 0.04 -0.04 -0.02 -0.04 7.75 7.69 2nv5A1 GLU 1447 H -0.05 0.38 0.09 -0.55 8.60 8.47 2nv5A1 GLU 1447 HA -0.13 0.19 0.73 -0.75 4.29 4.33 2nv5A1 GLU 1447 HB2 -0.03 0.21 0.10 -0.04 2.09 2.33 2nv5A1 GLU 1447 HB3 -0.02 -0.11 -0.13 -0.04 1.99 1.68 2nv5A1 GLU 1447 HG2 -0.01 0.03 -0.04 -0.04 2.34 2.28 2nv5A1 GLU 1447 HG3 0.22 0.00 -0.14 -0.04 2.34 2.38 2nv5A1 LYS 1448 H -0.06 0.36 0.14 -0.55 8.42 8.30 2nv5A1 LYS 1448 HA -0.06 0.08 0.42 -0.75 4.32 4.02 2nv5A1 LYS 1448 HB2 -0.04 0.09 0.14 -0.04 1.87 2.02 2nv5A1 LYS 1448 HB3 -0.04 -0.18 0.26 -0.04 1.79 1.79 2nv5A1 LYS 1448 HG2 -0.05 0.05 -0.20 -0.04 1.46 1.22 2nv5A1 LYS 1448 HG3 -0.04 -0.06 -0.01 -0.04 1.46 1.32 2nv5A1 LYS 1448 HD2 -0.04 -0.12 0.06 -0.04 1.69 1.55 2nv5A1 LYS 1448 HD3 -0.05 0.24 0.16 -0.04 1.68 1.99 2nv5A1 LYS 1448 HE2 -0.03 0.07 -0.04 -0.04 2.99 2.94 2nv5A1 LYS 1448 HE3 -0.03 -0.10 0.01 -0.04 2.99 2.83 2nv5A1 THR 1449 H -0.07 0.26 -0.20 -0.55 8.28 7.72 2nv5A1 THR 1449 HA -0.05 0.12 0.53 -0.75 4.39 4.24 2nv5A1 THR 1449 HB -0.03 -0.06 -0.24 -0.04 4.32 3.95 2nv5A1 THR 1449 HG23 -0.02 0.05 -0.31 -0.04 1.22 0.90 2nv5A1 VAL 1450 H -0.06 0.70 0.20 -0.55 8.24 8.54 2nv5A1 VAL 1450 HA -0.08 0.22 0.67 -0.75 4.13 4.18 2nv5A1 VAL 1450 HB -0.09 -0.14 0.05 -0.04 2.12 1.90 2nv5A1 VAL 1450 HG13 -0.10 0.03 -0.05 -0.04 0.97 0.81 2nv5A1 VAL 1450 HG23 -0.07 0.03 0.05 -0.04 0.95 0.92 2nv5A1 ASP 1451 H -0.01 0.26 -0.09 -0.55 8.40 8.00 2nv5A1 ASP 1451 HA 0.06 0.19 0.34 -0.75 4.63 4.47 2nv5A1 ASP 1451 HB2 0.07 0.09 0.04 -0.04 2.71 2.86 2nv5A1 ASP 1451 HB3 0.10 0.04 0.13 -0.04 2.70 2.93 2nv5A1 ILE 1452 H 0.02 0.21 -0.11 -0.55 8.25 7.81 2nv5A1 ILE 1452 HA 0.07 0.11 0.42 -0.75 4.18 4.01 2nv5A1 ILE 1452 HB -0.07 0.00 0.04 -0.04 1.89 1.82 2nv5A1 ILE 1452 HG12 -0.20 0.07 -0.05 -0.04 1.49 1.27 2nv5A1 ILE 1452 HG13 -0.13 -0.11 0.00 -0.04 1.21 0.93 2nv5A1 ILE 1452 HG23 -0.12 0.02 -0.13 -0.04 0.93 0.67 2nv5A1 ILE 1452 HD13 -0.65 0.02 -0.06 -0.04 0.88 0.15 2nv5A1 TYR 1453 H 0.34 0.12 -0.16 -0.55 8.29 8.04 2nv5A1 TYR 1453 HA 0.31 0.09 0.32 -0.75 4.56 4.53 2nv5A1 TYR 1453 HB2 0.27 0.00 0.02 -0.04 3.06 3.32 2nv5A1 TYR 1453 HB3 0.15 0.02 -0.00 -0.04 2.98 3.10 2nv5A1 TYR 1453 HD2 0.04 -0.02 -0.16 -0.04 7.15 6.97 2nv5A1 TYR 1453 HE2 -0.16 0.15 -0.10 -0.04 6.85 6.70 2nv5A1 GLY 1454 H 0.26 0.06 -0.32 -0.55 8.43 7.89 2nv5A1 GLY 1454 HA2 0.08 0.10 0.31 -0.51 4.01 3.99 2nv5A1 GLY 1454 HA3 0.16 0.07 0.23 -0.51 4.01 3.97 2nv5A1 HIS 1455 H 0.21 0.45 -0.17 -0.55 8.41 8.35 2nv5A1 HIS 1455 HA 0.07 0.08 0.56 -0.75 4.63 4.59 2nv5A1 HIS 1455 HB2 0.08 0.03 0.07 -0.04 3.26 3.40 2nv5A1 HIS 1455 HB3 0.07 0.02 0.05 -0.04 3.20 3.29 2nv5A1 HIS 1455 HD2 0.06 -0.04 -0.12 -0.04 6.97 6.81 2nv5A1 HIS 1455 HE1 0.14 0.13 -0.35 -0.04 7.75 7.62 2nv5A1 VAL 1456 H 0.12 0.56 -0.11 -0.55 8.24 8.26 2nv5A1 VAL 1456 HA 0.03 0.01 0.43 -0.75 4.13 3.84 2nv5A1 VAL 1456 HB 0.09 0.08 0.10 -0.04 2.12 2.35 2nv5A1 VAL 1456 HG13 0.07 0.00 -0.07 -0.04 0.97 0.93 2nv5A1 VAL 1456 HG23 0.29 0.02 -0.00 -0.04 0.95 1.21 2nv5A1 THR 1457 H -0.15 0.54 -0.14 -0.55 8.28 7.98 2nv5A1 THR 1457 HA -0.12 -0.01 0.31 -0.75 4.39 3.82 2nv5A1 THR 1457 HB -0.10 0.13 0.07 -0.04 4.32 4.38 2nv5A1 THR 1457 HG23 -0.05 -0.03 -0.24 -0.04 1.22 0.86 2nv5A1 LEU 1458 H -0.06 0.36 -0.36 -0.55 8.37 7.75 2nv5A1 LEU 1458 HA -0.00 0.03 0.45 -0.75 4.35 4.08 2nv5A1 LEU 1458 HB2 -0.02 0.05 0.13 -0.04 1.64 1.77 2nv5A1 LEU 1458 HB3 -0.22 0.12 0.18 -0.04 1.64 1.68 2nv5A1 LEU 1458 HG -0.03 -0.04 -0.10 -0.04 1.64 1.43 2nv5A1 LEU 1458 HD13 0.04 -0.01 0.04 -0.04 0.93 0.96 2nv5A1 LEU 1458 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 2nv5A1 MET 1459 H -0.15 0.59 -0.06 -0.55 8.47 8.30 2nv5A1 MET 1459 HA -0.05 -0.00 0.42 -0.75 4.52 4.14 2nv5A1 MET 1459 HB2 -0.05 0.09 0.15 -0.04 2.15 2.30 2nv5A1 MET 1459 HB3 -0.03 -0.08 0.03 -0.04 2.03 1.91 2nv5A1 MET 1459 HG2 -0.05 -0.03 0.00 -0.04 2.63 2.51 2nv5A1 MET 1459 HG3 -0.44 0.09 0.02 -0.04 2.56 2.18 2nv5A1 MET 1459 HE3 0.02 -0.01 -0.05 -0.04 2.10 2.03 2nv5A1 ARG 1460 H -0.03 0.63 -0.19 -0.55 8.46 8.32 2nv5A1 ARG 1460 HA -0.03 0.11 0.54 -0.75 4.34 4.21 2nv5A1 ARG 1460 HB2 -0.00 0.15 0.07 -0.04 1.90 2.07 2nv5A1 ARG 1460 HB3 0.02 -0.11 0.01 -0.04 1.80 1.69 2nv5A1 ARG 1460 HG2 -0.03 0.11 0.02 -0.04 1.67 1.73 2nv5A1 ARG 1460 HG3 -0.06 -0.04 -0.11 -0.04 1.67 1.41 2nv5A1 ARG 1460 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.13 2nv5A1 ARG 1460 HD3 -0.03 -0.18 0.07 -0.04 3.22 3.03 2nv5A1 ALA 1461 H 0.07 0.42 -0.38 -0.55 8.40 7.95 2nv5A1 ALA 1461 HA 0.33 0.01 0.63 -0.75 4.34 4.56 2nv5A1 ALA 1461 HB3 0.19 0.03 0.11 -0.04 1.41 1.70 2nv5A1 GLN 1462 H 0.06 0.40 -0.40 -0.55 8.47 7.98 2nv5A1 GLN 1462 HA 0.13 0.12 0.92 -0.75 4.36 4.76 2nv5A1 GLN 1462 HB2 0.03 0.03 0.19 -0.04 2.15 2.36 2nv5A1 GLN 1462 HB3 0.03 0.23 0.16 -0.04 2.02 2.40 2nv5A1 GLN 1462 HG2 0.14 -0.01 -0.04 -0.04 2.40 2.45 2nv5A1 GLN 1462 HG3 0.11 0.07 -0.10 -0.04 2.39 2.43 2nv5A1 GLN 1462 HE21 0.09 -0.21 -0.06 -0.04 6.97 6.75 2nv5A1 GLN 1462 HE22 0.10 0.07 -0.02 -0.04 7.69 7.80 2nv5A1 ARG 1463 H -0.05 0.45 0.10 -0.55 8.46 8.41 2nv5A1 ARG 1463 HA -0.49 -0.04 0.60 -0.75 4.34 3.66 2nv5A1 ARG 1463 HB2 -0.14 0.09 -0.20 -0.04 1.90 1.61 2nv5A1 ARG 1463 HB3 -0.13 -0.05 -0.02 -0.04 1.80 1.56 2nv5A1 ARG 1463 HG2 -0.22 0.11 -0.15 -0.04 1.67 1.37 2nv5A1 ARG 1463 HG3 -0.29 -0.04 0.09 -0.04 1.67 1.39 2nv5A1 ARG 1463 HD2 -0.12 0.00 -0.01 -0.04 3.22 3.05 2nv5A1 ARG 1463 HD3 -0.09 -0.05 -0.04 -0.04 3.22 2.99 2nv5A1 ASN 1464 H -0.96 0.12 0.11 -0.55 8.53 7.24 2nv5A1 ASN 1464 HA -0.47 0.09 0.42 -0.75 4.76 4.05 2nv5A1 ASN 1464 HB2 -1.75 0.03 0.06 -0.04 2.88 1.18 2nv5A1 ASN 1464 HB3 -0.92 -0.01 0.08 -0.04 2.79 1.90 2nv5A1 ASN 1464 HD21 -0.30 0.07 0.03 -0.04 7.03 6.79 2nv5A1 ASN 1464 HD22 -0.46 -0.09 0.13 -0.04 7.74 7.27 2nv5A1 TYR 1465 H -0.20 0.19 0.19 -0.55 8.29 7.92 2nv5A1 TYR 1465 HA -0.06 0.09 0.25 -0.75 4.56 4.09 2nv5A1 TYR 1465 HB2 -0.10 0.02 -0.20 -0.04 3.06 2.73 2nv5A1 TYR 1465 HB3 -0.06 -0.03 0.01 -0.04 2.98 2.85 2nv5A1 TYR 1465 HD2 -0.11 0.03 -0.09 -0.04 7.15 6.94 2nv5A1 TYR 1465 HE2 -0.12 0.12 0.09 -0.04 6.85 6.90 2nv5A1 MET 1466 H -0.05 0.29 -0.43 -0.55 8.47 7.74 2nv5A1 MET 1466 HA 0.01 -0.00 0.38 -0.75 4.52 4.16 2nv5A1 MET 1466 HB2 -0.01 0.01 -0.09 -0.04 2.15 2.02 2nv5A1 MET 1466 HB3 0.01 -0.10 -0.07 -0.04 2.03 1.83 2nv5A1 MET 1466 HG2 -0.08 0.29 -0.11 -0.04 2.63 2.69 2nv5A1 MET 1466 HG3 -0.03 0.01 -0.07 -0.04 2.56 2.43 2nv5A1 MET 1466 HE3 -0.01 -0.04 -0.14 -0.04 2.10 1.86 2nv5A1 VAL 1467 H 0.05 0.26 0.32 -0.55 8.24 8.32 2nv5A1 VAL 1467 HA 0.11 -0.16 0.42 -0.75 4.13 3.74 2nv5A1 VAL 1467 HB 0.26 0.23 0.34 -0.04 2.12 2.91 2nv5A1 VAL 1467 HG13 0.30 -0.02 -0.14 -0.04 0.97 1.06 2nv5A1 VAL 1467 HG23 0.16 -0.03 -0.26 -0.04 0.95 0.78 2nv5A1 GLN 1468 H 0.05 -0.12 0.15 -0.55 8.47 8.00 2nv5A1 GLN 1468 HA 0.10 0.36 0.14 -0.75 4.36 4.22 2nv5A1 GLN 1468 HB2 -0.01 0.02 -0.12 -0.04 2.15 1.99 2nv5A1 GLN 1468 HB3 -0.03 -0.19 0.04 -0.04 2.02 1.80 2nv5A1 GLN 1468 HG2 -0.08 -0.03 -0.10 -0.04 2.40 2.16 2nv5A1 GLN 1468 HG3 -0.10 0.12 0.04 -0.04 2.39 2.40 2nv5A1 GLN 1468 HE21 -0.30 -0.03 -0.05 -0.04 6.97 6.55 2nv5A1 GLN 1468 HE22 -0.37 0.09 -0.04 -0.04 7.69 7.33 2nv5A1 THR 1469 H 0.04 -0.02 -0.06 -0.55 8.28 7.69 2nv5A1 THR 1469 HA -0.00 0.36 0.94 -0.75 4.39 4.94 2nv5A1 THR 1469 HB -0.06 -0.01 0.13 -0.04 4.32 4.34 2nv5A1 THR 1469 HG23 -0.02 0.04 -0.14 -0.04 1.22 1.06 2nv5A1 GLU 1470 H -0.30 0.27 0.13 -0.55 8.60 8.16 2nv5A1 GLU 1470 HA -1.20 0.17 0.52 -0.75 4.29 3.02 2nv5A1 GLU 1470 HB2 -0.33 0.11 0.13 -0.04 2.09 1.96 2nv5A1 GLU 1470 HB3 -0.21 -0.01 0.05 -0.04 1.99 1.78 2nv5A1 GLU 1470 HG2 -0.26 -0.08 -0.08 -0.04 2.34 1.88 2nv5A1 GLU 1470 HG3 -0.29 0.07 0.01 -0.04 2.34 2.09 2nv5A1 ASP 1471 H -0.14 0.10 -0.16 -0.55 8.40 7.65 2nv5A1 ASP 1471 HA -0.12 0.14 0.40 -0.75 4.63 4.29 2nv5A1 ASP 1471 HB2 -0.04 -0.05 0.03 -0.04 2.71 2.61 2nv5A1 ASP 1471 HB3 -0.04 0.04 -0.04 -0.04 2.70 2.62 2nv5A1 GLN 1472 H -0.02 0.05 -0.35 -0.55 8.47 7.61 2nv5A1 GLN 1472 HA 0.18 0.08 0.52 -0.75 4.36 4.39 2nv5A1 GLN 1472 HB2 0.06 0.09 0.08 -0.04 2.15 2.35 2nv5A1 GLN 1472 HB3 0.14 0.05 -0.05 -0.04 2.02 2.12 2nv5A1 GLN 1472 HG2 0.20 0.06 -0.06 -0.04 2.40 2.56 2nv5A1 GLN 1472 HG3 0.11 -0.02 -0.07 -0.04 2.39 2.37 2nv5A1 GLN 1472 HE21 -0.09 -0.09 0.01 -0.04 6.97 6.75 2nv5A1 GLN 1472 HE22 -0.00 0.14 -0.07 -0.04 7.69 7.71 2nv5A1 TYR 1473 H 0.01 0.43 -0.19 -0.55 8.29 8.00 2nv5A1 TYR 1473 HA 0.14 0.03 0.36 -0.75 4.56 4.34 2nv5A1 TYR 1473 HB2 -0.16 0.10 0.10 -0.04 3.06 3.05 2nv5A1 TYR 1473 HB3 -0.28 0.12 0.14 -0.04 2.98 2.92 2nv5A1 TYR 1473 HD2 0.19 0.01 -0.05 -0.04 7.15 7.26 2nv5A1 TYR 1473 HE2 0.38 0.02 -0.10 -0.04 6.85 7.11 2nv5A1 ILE 1474 H -0.17 0.57 -0.14 -0.55 8.25 7.96 2nv5A1 ILE 1474 HA -0.56 0.03 0.47 -0.75 4.18 3.37 2nv5A1 ILE 1474 HB -0.23 0.05 0.12 -0.04 1.89 1.78 2nv5A1 ILE 1474 HG12 -2.24 -0.03 -0.01 -0.04 1.49 -0.82 2nv5A1 ILE 1474 HG13 -0.74 0.13 0.04 -0.04 1.21 0.60 2nv5A1 ILE 1474 HG23 -0.17 -0.01 -0.11 -0.04 0.93 0.61 2nv5A1 ILE 1474 HD13 -0.31 -0.02 -0.07 -0.04 0.88 0.45 2nv5A1 PHE 1475 H 0.13 0.50 -0.21 -0.55 8.34 8.21 2nv5A1 PHE 1475 HA -0.04 0.02 0.42 -0.75 4.62 4.26 2nv5A1 PHE 1475 HB2 -0.09 0.04 0.11 -0.04 3.15 3.17 2nv5A1 PHE 1475 HB3 0.00 0.06 0.16 -0.04 3.06 3.24 2nv5A1 PHE 1475 HD2 -0.05 0.08 -0.12 -0.04 7.28 7.14 2nv5A1 PHE 1475 HE2 -0.21 0.01 -0.21 -0.04 7.38 6.92 2nv5A1 PHE 1475 HZ -0.11 -0.04 -0.00 -0.04 7.32 7.12 2nv5A1 ILE 1476 H 0.12 0.48 -0.33 -0.55 8.25 7.96 2nv5A1 ILE 1476 HA -0.09 0.01 0.43 -0.75 4.18 3.78 2nv5A1 ILE 1476 HB 0.02 0.21 0.13 -0.04 1.89 2.21 2nv5A1 ILE 1476 HG12 0.12 -0.02 0.04 -0.04 1.49 1.59 2nv5A1 ILE 1476 HG13 0.21 0.12 0.04 -0.04 1.21 1.53 2nv5A1 ILE 1476 HG23 -0.08 -0.02 -0.16 -0.04 0.93 0.63 2nv5A1 ILE 1476 HD13 0.16 -0.03 -0.11 -0.04 0.88 0.85 2nv5A1 HIS 1477 H 0.20 0.40 -0.16 -0.55 8.41 8.31 2nv5A1 HIS 1477 HA -0.02 0.01 0.49 -0.75 4.63 4.36 2nv5A1 HIS 1477 HB2 0.15 0.18 0.20 -0.04 3.26 3.75 2nv5A1 HIS 1477 HB3 0.14 -0.05 0.01 -0.04 3.20 3.26 2nv5A1 HIS 1477 HD2 0.15 -0.01 -0.03 -0.04 6.97 7.04 2nv5A1 HIS 1477 HE1 -1.14 -0.01 -0.08 -0.04 7.75 6.48 2nv5A1 ASP 1478 H 0.03 0.60 -0.01 -0.55 8.40 8.46 2nv5A1 ASP 1478 HA 0.01 -0.01 0.39 -0.75 4.63 4.26 2nv5A1 ASP 1478 HB2 -0.15 0.06 0.16 -0.04 2.71 2.74 2nv5A1 ASP 1478 HB3 -0.06 -0.02 -0.01 -0.04 2.70 2.56 2nv5A1 ALA 1479 H -0.42 0.74 -0.10 -0.55 8.40 8.07 2nv5A1 ALA 1479 HA -0.20 -0.05 0.44 -0.75 4.34 3.78 2nv5A1 ALA 1479 HB3 -0.41 0.01 0.09 -0.04 1.41 1.06 2nv5A1 LEU 1480 H -0.12 0.45 -0.28 -0.55 8.37 7.87 2nv5A1 LEU 1480 HA -0.08 0.06 0.45 -0.75 4.35 4.02 2nv5A1 LEU 1480 HB2 -0.10 0.10 0.18 -0.04 1.64 1.78 2nv5A1 LEU 1480 HB3 -0.09 -0.06 -0.01 -0.04 1.64 1.44 2nv5A1 LEU 1480 HG -0.11 0.10 0.07 -0.04 1.64 1.66 2nv5A1 LEU 1480 HD13 -0.15 -0.03 -0.07 -0.04 0.93 0.65 2nv5A1 LEU 1480 HD23 -0.10 0.01 -0.03 -0.04 0.89 0.73 2nv5A1 LEU 1481 H -0.03 0.67 -0.00 -0.55 8.37 8.46 2nv5A1 LEU 1481 HA -0.02 -0.01 0.53 -0.75 4.35 4.10 2nv5A1 LEU 1481 HB2 0.03 -0.02 0.05 -0.04 1.64 1.66 2nv5A1 LEU 1481 HB3 0.00 0.13 0.13 -0.04 1.64 1.86 2nv5A1 LEU 1481 HG 0.00 0.04 -0.18 -0.04 1.64 1.46 2nv5A1 LEU 1481 HD13 0.01 -0.03 -0.00 -0.04 0.93 0.87 2nv5A1 LEU 1481 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.83 2nv5A1 GLU 1482 H -0.04 0.56 -0.15 -0.55 8.60 8.42 2nv5A1 GLU 1482 HA -0.02 0.02 0.36 -0.75 4.29 3.90 2nv5A1 GLU 1482 HB2 -0.02 -0.05 0.07 -0.04 2.09 2.05 2nv5A1 GLU 1482 HB3 -0.04 0.10 0.09 -0.04 1.99 2.10 2nv5A1 GLU 1482 HG2 -0.02 0.04 -0.32 -0.04 2.34 2.00 2nv5A1 GLU 1482 HG3 -0.02 0.05 -0.06 -0.04 2.34 2.28 2nv5A1 ALA 1483 H -0.05 0.36 -0.31 -0.55 8.40 7.85 2nv5A1 ALA 1483 HA -0.04 0.02 0.29 -0.75 4.34 3.85 2nv5A1 ALA 1483 HB3 -0.06 0.00 0.07 -0.04 1.41 1.38 2nv5A1 VAL 1484 H -0.04 0.37 -0.24 -0.55 8.24 7.78 2nv5A1 VAL 1484 HA -0.04 0.08 0.50 -0.75 4.13 3.92 2nv5A1 VAL 1484 HB -0.03 -0.07 0.05 -0.04 2.12 2.02 2nv5A1 VAL 1484 HG13 -0.05 0.07 0.04 -0.04 0.97 0.99 2nv5A1 VAL 1484 HG23 -0.02 0.05 0.08 -0.04 0.95 1.02 2nv5A1 THR 1485 H -0.02 0.53 -0.06 -0.55 8.28 8.19 2nv5A1 THR 1485 HA -0.02 -0.00 0.55 -0.75 4.39 4.17 2nv5A1 THR 1485 HB -0.01 -0.07 0.15 -0.04 4.32 4.34 2nv5A1 THR 1485 HG23 -0.01 0.01 0.04 -0.04 1.22 1.23 2nv5A1 CYS 1486 H -0.02 0.75 -0.79 -0.55 8.50 7.88 2nv5A1 CYS 1486 HA -0.02 0.02 0.25 -0.75 4.58 4.09 2nv5A1 CYS 1486 HB2 -0.03 0.25 -0.15 -0.04 2.97 3.00 2nv5A1 CYS 1486 HB3 -0.02 -0.09 0.04 -0.04 2.97 2.86