============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. TRP 1 1.040 -18.337 11.706 8.727 -99.200 -91.000 TRP6 1 1.020 -17.139 13.091 10.218 -99.200 -91.000 TRP 3 1.040 -15.218 16.644 12.710 -99.200 -91.000 TRP6 3 1.020 -15.272 15.177 14.564 -99.200 -91.000 TYR 6 0.840 -19.612 10.682 14.263 -99.200 -91.000 PHE 20 1.000 -7.033 19.452 20.652 -99.200 -91.000 HIS 28 0.900 -3.250 30.990 11.209 -99.200 -91.000 PHE 33 1.000 8.785 21.816 4.843 -99.200 -91.000 HIS 46 0.900 19.293 4.614 16.348 -99.200 -91.000 TYR 50 0.840 20.263 16.473 14.826 -99.200 -91.000 PHE 51 1.000 20.382 9.156 9.834 -99.200 -91.000 TYR 61 0.840 0.927 23.309 8.996 -99.200 -91.000 HIS 66 0.900 13.608 7.663 0.884 -99.200 -91.000 PHE 67 1.000 15.590 8.491 8.158 -99.200 -91.000 TYR 70 0.840 19.969 4.815 5.522 -99.200 -91.000 HIS 73 0.900 15.084 2.459 7.149 -99.200 -91.000 PHE 75 1.000 10.738 10.956 9.728 -99.200 -91.000 TRP 76 1.040 3.131 10.000 6.493 -99.200 -91.000 TRP6 76 1.020 2.080 11.335 4.849 -99.200 -91.000 HIS 85 0.900 16.492 21.443 13.308 -99.200 -91.000 TRP 89 1.040 19.616 23.402 12.861 -99.200 -91.000 TRP6 89 1.020 20.096 21.345 13.918 -99.200 -91.000 PHE 90 1.000 26.063 19.613 8.703 -99.200 -91.000 HIS 95 0.900 22.884 20.033 16.876 -99.200 -91.000 TYR 103 0.840 27.055 11.007 -1.025 -99.200 -91.000 PHE 108 1.000 26.354 16.148 2.851 -99.200 -91.000 TRP 110 1.040 23.188 20.358 3.213 -99.200 -91.000 TRP6 110 1.020 21.360 19.068 2.445 -99.200 -91.000 TYR 113 0.840 22.877 14.291 -1.193 -99.200 -91.000 HIS 125 0.900 10.315 30.849 3.117 -99.200 -91.000 PHE 127 1.000 13.163 23.532 7.339 -99.200 -91.000 HIS 132 0.900 16.935 31.704 13.204 -99.200 -91.000 PHE 139 1.000 15.708 21.326 31.824 -99.200 -91.000 PHE 169 1.000 14.933 19.279 28.453 -99.200 -91.000 HIS 172 0.900 22.150 8.687 26.472 -99.200 -91.000 PHE 173 1.000 15.941 7.253 30.093 -99.200 -91.000 TRP 176 1.040 20.637 2.532 30.981 -99.200 -91.000 TRP6 176 1.020 19.995 0.318 31.528 -99.200 -91.000 TYR 180 0.840 15.537 1.203 25.848 -99.200 -91.000 TYR 182 0.840 11.915 10.832 27.459 -99.200 -91.000 TRP 183 1.040 14.816 15.193 20.349 -99.200 -91.000 TRP6 183 1.020 16.297 17.030 20.554 -99.200 -91.000 TYR 190 0.840 5.904 11.414 30.459 -99.200 -91.000 HIS 192 0.900 9.648 13.839 38.437 -99.200 -91.000 TRP 196 1.040 10.429 13.842 42.100 -99.200 -91.000 TRP6 196 1.020 9.517 11.775 41.406 -99.200 -91.000 TYR 210 0.840 27.819 4.183 39.563 -99.200 -91.000 PHE 216 1.000 23.509 6.965 41.089 -99.200 -91.000 TRP 217 1.040 21.000 11.389 41.621 -99.200 -91.000 TRP6 217 1.020 21.736 11.776 39.400 -99.200 -91.000 TYR 220 0.840 26.680 9.140 37.269 -99.200 -91.000 TRP 232 1.040 16.869 27.856 38.507 -99.200 -91.000 TRP6 232 1.020 16.511 28.457 36.248 -99.200 -91.000 PHE 234 1.000 14.026 19.419 36.557 -99.200 -91.000 HIS 240 0.900 -5.687 15.380 29.802 -99.200 -91.000 PHE 242 1.000 -7.607 16.966 24.996 -99.200 -91.000 HIS 270 0.900 0.703 15.761 33.475 -99.200 -91.000 HIS 275 0.900 -13.124 3.472 20.045 -99.200 -91.000 PHE 276 1.000 -7.461 5.998 15.444 -99.200 -91.000 TRP 279 1.040 -11.302 2.013 12.507 -99.200 -91.000 TRP6 279 1.020 -10.058 0.554 11.121 -99.200 -91.000 HIS 281 0.900 -13.825 0.549 22.650 -99.200 -91.000 TYR 283 0.840 -7.120 -2.142 15.301 -99.200 -91.000 PHE 285 1.000 -3.561 5.938 19.598 -99.200 -91.000 TRP 286 1.040 -3.515 4.491 28.084 -99.200 -91.000 TRP6 286 1.020 -4.819 6.044 29.303 -99.200 -91.000 HIS 291 0.900 2.286 12.214 19.341 -99.200 -91.000 HIS 295 0.900 -3.261 17.708 14.486 -99.200 -91.000 TRP 299 1.040 -4.790 20.332 12.334 -99.200 -91.000 TRP6 299 1.020 -3.596 18.696 11.115 -99.200 -91.000 HIS 305 0.900 -4.169 14.345 6.145 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ri5A1 TRP 206 HA -0.06 -0.09 0.21 -0.75 4.62 3.93 2ri5A1 TRP 206 HB2 -0.11 0.04 0.05 -0.04 3.23 3.17 2ri5A1 TRP 206 HB3 -0.13 0.01 0.01 -0.04 3.23 3.08 2ri5A1 TRP 206 HD1 -0.15 0.03 0.01 -0.04 7.22 7.08 2ri5A1 TRP 206 HE1 -0.48 0.04 -0.01 -0.04 10.20 9.71 2ri5A1 TRP 206 HE3 -0.26 0.02 -0.35 -0.04 7.59 6.96 2ri5A1 TRP 206 HZ2 -1.58 0.04 -0.04 -0.04 7.44 5.82 2ri5A1 TRP 206 HZ3 -1.33 -0.08 -0.13 -0.04 7.13 5.55 2ri5A1 TRP 206 HH2 -2.65 0.01 -0.07 -0.04 7.19 4.45 2ri5A1 SER 207 H -0.98 0.16 0.10 -0.55 8.46 7.19 2ri5A1 SER 207 HA -0.26 0.24 1.01 -0.75 4.49 4.72 2ri5A1 SER 207 HB2 -0.14 0.19 -0.07 -0.04 3.95 3.89 2ri5A1 SER 207 HB3 -0.28 -0.01 0.11 -0.04 3.93 3.71 2ri5A1 TRP 208 H -0.03 0.25 0.15 -0.55 7.97 7.78 2ri5A1 TRP 208 HA -0.41 0.13 0.40 -0.75 4.62 3.98 2ri5A1 TRP 208 HB2 0.02 -0.01 0.15 -0.04 3.23 3.35 2ri5A1 TRP 208 HB3 0.05 0.07 -0.08 -0.04 3.23 3.22 2ri5A1 TRP 208 HD1 0.26 0.02 0.04 -0.04 7.22 7.50 2ri5A1 TRP 208 HE1 0.25 -0.04 0.00 -0.04 10.20 10.38 2ri5A1 TRP 208 HE3 0.29 -0.05 -0.01 -0.04 7.59 7.78 2ri5A1 TRP 208 HZ2 0.17 0.12 -0.13 -0.04 7.44 7.56 2ri5A1 TRP 208 HZ3 0.39 0.05 -0.05 -0.04 7.13 7.48 2ri5A1 TRP 208 HH2 0.24 0.14 0.09 -0.04 7.19 7.62 2ri5A1 GLU 209 H 0.07 0.10 -0.08 -0.55 8.60 8.14 2ri5A1 GLU 209 HA 0.08 0.11 0.36 -0.75 4.29 4.08 2ri5A1 GLU 209 HB2 -0.02 -0.06 0.07 -0.04 2.09 2.04 2ri5A1 GLU 209 HB3 0.01 0.08 0.01 -0.04 1.99 2.05 2ri5A1 GLU 209 HG2 0.02 0.07 0.03 -0.04 2.34 2.43 2ri5A1 GLU 209 HG3 0.05 0.05 0.04 -0.04 2.34 2.44 2ri5A1 SER 210 H -0.15 0.05 -0.24 -0.55 8.46 7.57 2ri5A1 SER 210 HA -0.05 0.07 0.40 -0.75 4.49 4.16 2ri5A1 SER 210 HB2 -0.26 0.03 0.12 -0.04 3.95 3.79 2ri5A1 SER 210 HB3 -0.11 0.04 0.01 -0.04 3.93 3.83 2ri5A1 TYR 211 H -0.25 0.49 -0.17 -0.55 8.29 7.80 2ri5A1 TYR 211 HA -0.09 0.02 0.43 -0.75 4.56 4.18 2ri5A1 TYR 211 HB2 -0.69 0.03 0.11 -0.04 3.06 2.46 2ri5A1 TYR 211 HB3 -0.16 0.05 0.14 -0.04 2.98 2.98 2ri5A1 TYR 211 HD2 0.19 -0.01 -0.03 -0.04 7.15 7.26 2ri5A1 TYR 211 HE2 0.18 0.02 -0.05 -0.04 6.85 6.96 2ri5A1 LEU 212 H 0.14 0.65 -0.09 -0.55 8.37 8.52 2ri5A1 LEU 212 HA 0.03 -0.01 0.35 -0.75 4.35 3.97 2ri5A1 LEU 212 HB2 0.09 0.09 0.13 -0.04 1.64 1.90 2ri5A1 LEU 212 HB3 0.08 0.17 0.03 -0.04 1.64 1.88 2ri5A1 LEU 212 HG 0.38 0.17 -0.03 -0.04 1.64 2.12 2ri5A1 LEU 212 HD13 0.08 -0.02 -0.04 -0.04 0.93 0.91 2ri5A1 LEU 212 HD23 0.33 -0.02 -0.26 -0.04 0.89 0.90 2ri5A1 GLU 213 H -0.00 0.34 -0.24 -0.55 8.60 8.16 2ri5A1 GLU 213 HA -0.01 0.04 0.47 -0.75 4.29 4.03 2ri5A1 GLU 213 HB2 -0.02 0.10 0.21 -0.04 2.09 2.34 2ri5A1 GLU 213 HB3 -0.01 -0.04 0.05 -0.04 1.99 1.95 2ri5A1 GLU 213 HG2 0.00 0.34 0.16 -0.04 2.34 2.80 2ri5A1 GLU 213 HG3 -0.01 -0.09 0.01 -0.04 2.34 2.20 2ri5A1 GLU 214 H -0.04 0.55 0.01 -0.55 8.60 8.57 2ri5A1 GLU 214 HA -0.02 -0.02 0.38 -0.75 4.29 3.87 2ri5A1 GLU 214 HB2 -0.00 -0.04 0.13 -0.04 2.09 2.14 2ri5A1 GLU 214 HB3 -0.05 0.09 0.22 -0.04 1.99 2.20 2ri5A1 GLU 214 HG2 -0.02 0.05 -0.30 -0.04 2.34 2.03 2ri5A1 GLU 214 HG3 0.01 -0.05 0.01 -0.04 2.34 2.28 2ri5A1 GLN 215 H -0.20 0.56 -0.14 -0.55 8.47 8.14 2ri5A1 GLN 215 HA -0.08 0.09 0.58 -0.75 4.36 4.19 2ri5A1 GLN 215 HB2 -0.27 -0.01 -0.02 -0.04 2.15 1.82 2ri5A1 GLN 215 HB3 -0.13 -0.03 0.05 -0.04 2.02 1.87 2ri5A1 GLN 215 HG2 -0.67 0.05 0.04 -0.04 2.40 1.79 2ri5A1 GLN 215 HG3 -1.01 -0.07 -0.03 -0.04 2.39 1.24 2ri5A1 GLN 215 HE21 0.06 -0.02 -0.06 -0.04 6.97 6.91 2ri5A1 GLN 215 HE22 -0.01 -0.03 -0.09 -0.04 7.69 7.52 2ri5A1 LYS 216 H -0.05 0.34 -0.38 -0.55 8.42 7.78 2ri5A1 LYS 216 HA -0.01 -0.01 0.38 -0.75 4.32 3.93 2ri5A1 LYS 216 HB2 -0.01 0.17 0.21 -0.04 1.87 2.21 2ri5A1 LYS 216 HB3 -0.00 -0.11 0.21 -0.04 1.79 1.85 2ri5A1 LYS 216 HG2 -0.01 0.07 -0.27 -0.04 1.46 1.21 2ri5A1 LYS 216 HG3 -0.00 -0.10 -0.01 -0.04 1.46 1.30 2ri5A1 LYS 216 HD2 -0.00 -0.12 0.06 -0.04 1.69 1.59 2ri5A1 LYS 216 HD3 -0.01 0.27 0.14 -0.04 1.68 2.04 2ri5A1 LYS 216 HE2 -0.01 0.03 0.01 -0.04 2.99 2.99 2ri5A1 LYS 216 HE3 -0.00 -0.12 0.02 -0.04 2.99 2.85 2ri5A1 ALA 217 H -0.00 0.42 0.10 -0.55 8.40 8.36 2ri5A1 ALA 217 HA 0.03 0.23 0.96 -0.75 4.34 4.81 2ri5A1 ALA 217 HB3 0.05 0.01 -0.04 -0.04 1.41 1.39 2ri5A1 ILE 218 H 0.07 0.28 0.20 -0.55 8.25 8.24 2ri5A1 ILE 218 HA 0.04 0.14 0.92 -0.75 4.18 4.53 2ri5A1 ILE 218 HB 0.02 0.03 0.11 -0.04 1.89 2.01 2ri5A1 ILE 218 HG12 0.04 0.01 0.02 -0.04 1.49 1.52 2ri5A1 ILE 218 HG13 0.05 -0.05 -0.22 -0.04 1.21 0.94 2ri5A1 ILE 218 HG23 0.02 0.01 -0.15 -0.04 0.93 0.77 2ri5A1 ILE 218 HD13 0.02 0.01 -0.05 -0.04 0.88 0.83 2ri5A1 THR 219 H -0.00 0.11 0.17 -0.55 8.28 8.01 2ri5A1 THR 219 HA -0.01 0.11 0.93 -0.75 4.39 4.67 2ri5A1 THR 219 HB -0.20 0.07 0.15 -0.04 4.32 4.30 2ri5A1 THR 219 HG23 -0.31 -0.01 -0.02 -0.04 1.22 0.83 2ri5A1 ALA 220 H 0.07 0.59 0.28 -0.55 8.40 8.79 2ri5A1 ALA 220 HA 0.02 0.10 0.61 -0.75 4.34 4.32 2ri5A1 ALA 220 HB3 0.21 -0.00 0.01 -0.04 1.41 1.59 2ri5A1 PRO 221 HA 0.01 0.02 0.42 -0.51 4.44 4.38 2ri5A1 PRO 221 HB2 -0.05 -0.03 0.02 -0.04 2.28 2.19 2ri5A1 PRO 221 HB3 -0.01 -0.00 0.11 -0.04 2.02 2.07 2ri5A1 PRO 221 HG2 -0.04 0.06 0.09 -0.04 2.03 2.10 2ri5A1 PRO 221 HG3 -0.02 0.06 0.10 -0.04 2.03 2.13 2ri5A1 PRO 221 HD2 -0.11 0.09 0.21 -0.04 3.68 3.83 2ri5A1 PRO 221 HD3 -0.02 0.34 0.36 -0.04 3.65 4.28 2ri5A1 VAL 222 H 0.03 0.13 0.18 -0.55 8.24 8.04 2ri5A1 VAL 222 HA 0.14 0.13 0.42 -0.75 4.13 4.07 2ri5A1 VAL 222 HB 0.02 -0.06 0.12 -0.04 2.12 2.17 2ri5A1 VAL 222 HG13 0.03 0.02 -0.11 -0.04 0.97 0.88 2ri5A1 VAL 222 HG23 -0.04 0.01 0.08 -0.04 0.95 0.96 2ri5A1 SER 223 H 0.04 0.01 -0.25 -0.55 8.46 7.70 2ri5A1 SER 223 HA 0.05 0.11 0.30 -0.75 4.49 4.20 2ri5A1 SER 223 HB2 0.00 0.05 0.05 -0.04 3.95 4.01 2ri5A1 SER 223 HB3 0.01 -0.05 0.06 -0.04 3.93 3.92 2ri5A1 LEU 224 H -0.03 0.37 -0.61 -0.55 8.37 7.56 2ri5A1 LEU 224 HA -0.20 0.08 0.50 -0.75 4.35 3.98 2ri5A1 LEU 224 HB2 -0.92 0.12 -0.10 -0.04 1.64 0.70 2ri5A1 LEU 224 HB3 -1.17 -0.11 -0.01 -0.04 1.64 0.30 2ri5A1 LEU 224 HG -0.28 -0.03 -0.05 -0.04 1.64 1.25 2ri5A1 LEU 224 HD13 -0.73 -0.03 -0.14 -0.04 0.93 -0.01 2ri5A1 LEU 224 HD23 -0.22 -0.03 -0.12 -0.04 0.89 0.48 2ri5A1 PHE 225 H 0.27 0.44 -0.24 -0.55 8.34 8.26 2ri5A1 PHE 225 HA 0.11 0.15 0.73 -0.75 4.62 4.85 2ri5A1 PHE 225 HB2 0.03 0.07 0.02 -0.04 3.15 3.23 2ri5A1 PHE 225 HB3 0.04 -0.01 -0.00 -0.04 3.06 3.05 2ri5A1 PHE 225 HD2 0.00 0.09 -0.06 -0.04 7.28 7.27 2ri5A1 PHE 225 HE2 0.01 0.05 -0.33 -0.04 7.38 7.07 2ri5A1 PHE 225 HZ 0.18 -0.05 -0.24 -0.04 7.32 7.17 2ri5A1 GLN 226 H 0.18 0.16 0.15 -0.55 8.47 8.41 2ri5A1 GLN 226 HA 0.09 0.13 0.48 -0.75 4.36 4.31 2ri5A1 GLN 226 HB2 0.10 -0.06 0.09 -0.04 2.15 2.24 2ri5A1 GLN 226 HB3 0.08 -0.06 0.13 -0.04 2.02 2.12 2ri5A1 GLN 226 HG2 0.09 0.07 0.10 -0.04 2.40 2.62 2ri5A1 GLN 226 HG3 0.06 0.04 0.07 -0.04 2.39 2.52 2ri5A1 GLN 226 HE21 0.06 0.04 -0.06 -0.04 6.97 6.98 2ri5A1 GLN 226 HE22 0.08 0.05 -0.07 -0.04 7.69 7.71 2ri5A1 ASP 227 H 0.08 0.18 0.18 -0.55 8.40 8.28 2ri5A1 ASP 227 HA 0.08 0.11 0.34 -0.75 4.63 4.41 2ri5A1 ASP 227 HB2 0.07 -0.00 0.13 -0.04 2.71 2.86 2ri5A1 ASP 227 HB3 0.06 0.00 0.05 -0.04 2.70 2.76 2ri5A1 SER 228 H 0.08 0.07 -0.22 -0.55 8.46 7.84 2ri5A1 SER 228 HA 0.11 0.08 0.42 -0.75 4.49 4.34 2ri5A1 SER 228 HB2 0.10 0.08 0.06 -0.04 3.95 4.15 2ri5A1 SER 228 HB3 0.08 -0.03 0.08 -0.04 3.93 4.03 2ri5A1 GLN 229 H 0.11 0.21 -0.35 -0.55 8.47 7.89 2ri5A1 GLN 229 HA 0.09 0.16 0.57 -0.75 4.36 4.43 2ri5A1 GLN 229 HB2 0.21 -0.02 0.07 -0.04 2.15 2.37 2ri5A1 GLN 229 HB3 0.03 0.16 0.11 -0.04 2.02 2.28 2ri5A1 GLN 229 HG2 -0.04 0.15 -0.05 -0.04 2.40 2.42 2ri5A1 GLN 229 HG3 0.06 -0.17 -0.06 -0.04 2.39 2.18 2ri5A1 GLN 229 HE21 0.04 0.41 0.07 -0.04 6.97 7.45 2ri5A1 GLN 229 HE22 0.00 0.51 -0.20 -0.04 7.69 7.96 2ri5A1 ALA 230 H 0.10 0.19 -0.25 -0.55 8.40 7.89 2ri5A1 ALA 230 HA 0.04 0.17 0.83 -0.75 4.34 4.62 2ri5A1 ALA 230 HB3 0.02 -0.03 0.01 -0.04 1.41 1.37 2ri5A1 VAL 231 H 0.07 0.56 0.07 -0.55 8.24 8.39 2ri5A1 VAL 231 HA -0.17 -0.13 0.39 -0.75 4.13 3.47 2ri5A1 VAL 231 HB -0.06 0.06 0.12 -0.04 2.12 2.20 2ri5A1 VAL 231 HG13 0.01 0.03 0.05 -0.04 0.97 1.01 2ri5A1 VAL 231 HG23 -0.46 -0.05 -0.06 -0.04 0.95 0.34 2ri5A1 THR 232 H -0.29 -0.02 0.24 -0.55 8.28 7.67 2ri5A1 THR 232 HA -0.48 0.29 0.97 -0.75 4.39 4.41 2ri5A1 THR 232 HB -0.30 0.01 -0.02 -0.04 4.32 3.97 2ri5A1 THR 232 HG23 -0.15 0.11 -0.08 -0.04 1.22 1.06 2ri5A1 HIS 233 H -0.61 -0.04 0.08 -0.55 8.41 7.29 2ri5A1 HIS 233 HA -0.12 0.29 0.69 -0.75 4.63 4.74 2ri5A1 HIS 233 HB2 -0.05 0.01 0.13 -0.04 3.26 3.32 2ri5A1 HIS 233 HB3 -0.06 -0.01 0.06 -0.04 3.20 3.14 2ri5A1 HIS 233 HD2 -0.03 -0.00 0.02 -0.04 6.97 6.92 2ri5A1 HIS 233 HE1 -0.00 0.02 -0.06 -0.04 7.75 7.67 2ri5A1 ASN 234 H -0.32 0.06 -0.36 -0.55 8.53 7.37 2ri5A1 ASN 234 HA 0.10 0.04 0.56 -0.75 4.76 4.71 2ri5A1 ASN 234 HB2 -0.29 0.03 -0.05 -0.04 2.88 2.53 2ri5A1 ASN 234 HB3 0.17 0.10 -0.05 -0.04 2.79 2.98 2ri5A1 ASN 234 HD21 0.04 -0.04 -0.04 -0.04 7.03 6.95 2ri5A1 ASN 234 HD22 0.07 0.07 -0.06 -0.04 7.74 7.78 2ri5A1 LYS 235 H 0.07 0.06 0.14 -0.55 8.42 8.14 2ri5A1 LYS 235 HA 0.05 0.17 0.58 -0.75 4.32 4.37 2ri5A1 LYS 235 HB2 0.04 -0.06 0.04 -0.04 1.87 1.86 2ri5A1 LYS 235 HB3 0.03 0.04 -0.05 -0.04 1.79 1.78 2ri5A1 LYS 235 HG2 0.01 0.10 -0.08 -0.04 1.46 1.45 2ri5A1 LYS 235 HG3 0.02 -0.02 0.04 -0.04 1.46 1.46 2ri5A1 LYS 235 HD2 0.01 0.03 -0.02 -0.04 1.69 1.67 2ri5A1 LYS 235 HD3 0.00 0.00 -0.01 -0.04 1.68 1.63 2ri5A1 LYS 235 HE2 0.01 -0.02 -0.00 -0.04 2.99 2.94 2ri5A1 LYS 235 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 2ri5A1 ASN 236 H 0.10 0.21 0.11 -0.55 8.53 8.40 2ri5A1 ASN 236 HA 0.09 0.08 0.68 -0.75 4.76 4.85 2ri5A1 ASN 236 HB2 0.18 0.05 0.12 -0.04 2.88 3.19 2ri5A1 ASN 236 HB3 0.08 0.03 0.22 -0.04 2.79 3.08 2ri5A1 ASN 236 HD21 0.01 -0.01 -0.25 -0.04 7.03 6.74 2ri5A1 ASN 236 HD22 0.05 0.46 0.13 -0.04 7.74 8.34 2ri5A1 GLY 237 H -0.12 0.23 0.09 -0.55 8.43 8.09 2ri5A1 GLY 237 HA2 -0.07 0.14 0.50 -0.51 4.01 4.07 2ri5A1 GLY 237 HA3 -0.20 -0.02 0.25 -0.51 4.01 3.54 2ri5A1 PHE 238 H 0.02 0.05 -0.27 -0.55 8.34 7.59 2ri5A1 PHE 238 HA -0.11 0.04 0.52 -0.75 4.62 4.32 2ri5A1 PHE 238 HB2 -0.14 0.03 -0.04 -0.04 3.15 2.96 2ri5A1 PHE 238 HB3 -0.13 0.01 -0.11 -0.04 3.06 2.79 2ri5A1 PHE 238 HD2 -0.20 -0.03 -0.05 -0.04 7.28 6.96 2ri5A1 PHE 238 HE2 -0.37 0.12 -0.06 -0.04 7.38 7.03 2ri5A1 PHE 238 HZ -1.33 0.02 -0.20 -0.04 7.32 5.77 2ri5A1 LYS 239 H 0.07 0.14 0.18 -0.55 8.42 8.25 2ri5A1 LYS 239 HA 0.02 0.24 0.97 -0.75 4.32 4.80 2ri5A1 LYS 239 HB2 0.01 -0.02 -0.02 -0.04 1.87 1.80 2ri5A1 LYS 239 HB3 0.00 -0.01 0.06 -0.04 1.79 1.80 2ri5A1 LYS 239 HG2 -0.02 0.09 -0.22 -0.04 1.46 1.27 2ri5A1 LYS 239 HG3 -0.01 -0.04 -0.05 -0.04 1.46 1.32 2ri5A1 LYS 239 HD2 0.00 -0.07 -0.01 -0.04 1.69 1.57 2ri5A1 LYS 239 HD3 0.00 0.30 -0.34 -0.04 1.68 1.60 2ri5A1 LYS 239 HE2 -0.02 0.01 -0.09 -0.04 2.99 2.85 2ri5A1 LYS 239 HE3 -0.00 -0.07 -0.04 -0.04 2.99 2.83 2ri5A1 LEU 240 H -0.00 0.13 0.08 -0.55 8.37 8.04 2ri5A1 LEU 240 HA -0.03 0.08 0.22 -0.75 4.35 3.87 2ri5A1 LEU 240 HB2 -0.01 -0.03 0.14 -0.04 1.64 1.69 2ri5A1 LEU 240 HB3 -0.01 0.02 0.02 -0.04 1.64 1.62 2ri5A1 LEU 240 HG -0.03 -0.02 0.00 -0.04 1.64 1.55 2ri5A1 LEU 240 HD13 -0.04 0.03 -0.02 -0.04 0.93 0.86 2ri5A1 LEU 240 HD23 -0.06 0.05 -0.25 -0.04 0.89 0.58 2ri5A1 GLY 241 H -0.02 0.77 0.31 -0.55 8.43 8.94 2ri5A1 GLY 241 HA2 0.01 -0.01 0.39 -0.51 4.01 3.89 2ri5A1 GLY 241 HA3 0.01 0.09 0.58 -0.51 4.01 4.19 2ri5A1 MET 242 H 0.03 0.55 -0.23 -0.55 8.47 8.28 2ri5A1 MET 242 HA 0.06 0.20 0.52 -0.75 4.52 4.55 2ri5A1 MET 242 HB2 0.11 0.03 0.18 -0.04 2.15 2.43 2ri5A1 MET 242 HB3 0.12 -0.08 0.04 -0.04 2.03 2.07 2ri5A1 MET 242 HG2 0.03 0.03 -0.07 -0.04 2.63 2.58 2ri5A1 MET 242 HG3 0.03 0.10 0.01 -0.04 2.56 2.66 2ri5A1 MET 242 HE3 -0.04 0.06 0.03 -0.04 2.10 2.10 2ri5A1 LYS 243 H 0.10 0.37 0.51 -0.55 8.42 8.84 2ri5A1 LYS 243 HA 0.17 0.38 1.21 -0.75 4.32 5.32 2ri5A1 LYS 243 HB2 0.31 -0.12 0.04 -0.04 1.87 2.07 2ri5A1 LYS 243 HB3 0.58 -0.02 0.09 -0.04 1.79 2.40 2ri5A1 LYS 243 HG2 0.22 0.05 -0.11 -0.04 1.46 1.58 2ri5A1 LYS 243 HG3 0.18 0.15 -0.04 -0.04 1.46 1.71 2ri5A1 LYS 243 HD2 0.40 -0.09 -0.13 -0.04 1.69 1.82 2ri5A1 LYS 243 HD3 0.55 -0.06 -0.10 -0.04 1.68 2.04 2ri5A1 LYS 243 HE2 0.08 0.08 -0.07 -0.04 2.99 3.04 2ri5A1 LYS 243 HE3 -0.05 -0.03 -0.10 -0.04 2.99 2.77 2ri5A1 LEU 244 H 0.23 0.67 0.41 -0.55 8.37 9.13 2ri5A1 LEU 244 HA -0.09 -0.05 0.67 -0.75 4.35 4.13 2ri5A1 LEU 244 HB2 0.11 0.22 0.23 -0.04 1.64 2.15 2ri5A1 LEU 244 HB3 0.30 0.01 -0.15 -0.04 1.64 1.76 2ri5A1 LEU 244 HG 0.06 -0.05 -0.27 -0.04 1.64 1.34 2ri5A1 LEU 244 HD13 0.10 0.05 -0.16 -0.04 0.93 0.88 2ri5A1 LEU 244 HD23 0.07 -0.02 -0.36 -0.04 0.89 0.54 2ri5A1 GLU 245 H -0.01 0.73 0.30 -0.55 8.60 9.07 2ri5A1 GLU 245 HA 0.20 0.33 1.05 -0.75 4.29 5.12 2ri5A1 GLU 245 HB2 0.15 0.01 -0.09 -0.04 2.09 2.12 2ri5A1 GLU 245 HB3 0.28 0.02 -0.04 -0.04 1.99 2.21 2ri5A1 GLU 245 HG2 0.66 0.08 -0.25 -0.04 2.34 2.79 2ri5A1 GLU 245 HG3 0.23 -0.05 -0.38 -0.04 2.34 2.10 2ri5A1 GLY 246 H 0.15 0.47 0.31 -0.55 8.43 8.82 2ri5A1 GLY 246 HA2 -0.08 0.12 0.61 -0.51 4.01 4.16 2ri5A1 GLY 246 HA3 -0.02 0.06 0.33 -0.51 4.01 3.88 2ri5A1 ILE 247 H -0.12 0.46 0.20 -0.55 8.25 8.24 2ri5A1 ILE 247 HA -0.19 0.25 0.63 -0.75 4.18 4.12 2ri5A1 ILE 247 HB -0.06 0.07 -0.05 -0.04 1.89 1.82 2ri5A1 ILE 247 HG12 -0.23 0.07 0.09 -0.04 1.49 1.38 2ri5A1 ILE 247 HG13 -0.13 -0.05 -0.41 -0.04 1.21 0.58 2ri5A1 ILE 247 HG23 -0.43 -0.01 -0.09 -0.04 0.93 0.36 2ri5A1 ILE 247 HD13 -0.17 -0.01 -0.10 -0.04 0.88 0.56 2ri5A1 ASP 248 H 0.14 0.55 0.17 -0.55 8.40 8.71 2ri5A1 ASP 248 HA 0.22 0.15 0.53 -0.75 4.63 4.77 2ri5A1 ASP 248 HB2 0.23 0.03 -0.01 -0.04 2.71 2.92 2ri5A1 ASP 248 HB3 0.23 0.11 0.13 -0.04 2.70 3.13 2ri5A1 PRO 249 HA -0.12 0.06 0.30 -0.51 4.44 4.17 2ri5A1 PRO 249 HB2 -0.29 0.03 -0.01 -0.04 2.28 1.97 2ri5A1 PRO 249 HB3 -0.22 0.02 0.06 -0.04 2.02 1.85 2ri5A1 PRO 249 HG2 -1.62 0.05 0.01 -0.04 2.03 0.43 2ri5A1 PRO 249 HG3 -0.70 0.04 -0.01 -0.04 2.03 1.32 2ri5A1 PRO 249 HD2 -0.48 0.09 0.14 -0.04 3.68 3.38 2ri5A1 PRO 249 HD3 -0.67 0.40 0.25 -0.04 3.65 3.58 2ri5A1 GLN 250 H -0.11 0.01 -0.54 -0.55 8.47 7.28 2ri5A1 GLN 250 HA -0.14 0.23 0.71 -0.75 4.36 4.40 2ri5A1 GLN 250 HB2 -0.09 -0.04 -0.06 -0.04 2.15 1.92 2ri5A1 GLN 250 HB3 -0.18 0.00 0.07 -0.04 2.02 1.88 2ri5A1 GLN 250 HG2 -0.14 0.06 -0.16 -0.04 2.40 2.13 2ri5A1 GLN 250 HG3 -0.17 -0.02 -0.06 -0.04 2.39 2.10 2ri5A1 GLN 250 HE21 -0.13 -0.01 -0.01 -0.04 6.97 6.78 2ri5A1 GLN 250 HE22 -0.11 0.03 -0.03 -0.04 7.69 7.54 2ri5A1 HIS 251 H 0.05 0.30 -0.42 -0.55 8.41 7.80 2ri5A1 HIS 251 HA 0.02 0.14 0.54 -0.75 4.63 4.57 2ri5A1 HIS 251 HB2 0.07 -0.02 0.10 -0.04 3.26 3.37 2ri5A1 HIS 251 HB3 0.07 -0.11 0.16 -0.04 3.20 3.28 2ri5A1 HIS 251 HD2 -0.09 -0.05 -0.25 -0.04 6.97 6.54 2ri5A1 HIS 251 HE1 0.01 -0.06 0.00 -0.04 7.75 7.66 2ri5A1 PRO 252 HA 0.19 0.10 0.31 -0.51 4.44 4.53 2ri5A1 PRO 252 HB2 0.23 -0.08 -0.13 -0.04 2.28 2.26 2ri5A1 PRO 252 HB3 0.24 0.08 -0.00 -0.04 2.02 2.30 2ri5A1 PRO 252 HG2 0.03 -0.08 -0.15 -0.04 2.03 1.80 2ri5A1 PRO 252 HG3 0.06 0.28 -0.21 -0.04 2.03 2.12 2ri5A1 PRO 252 HD2 -0.01 0.12 -0.09 -0.04 3.68 3.66 2ri5A1 PRO 252 HD3 0.01 0.28 -0.29 -0.04 3.65 3.61 2ri5A1 SER 253 H 0.11 0.03 -0.64 -0.55 8.46 7.41 2ri5A1 SER 253 HA 0.13 0.15 0.61 -0.75 4.49 4.62 2ri5A1 SER 253 HB2 0.05 0.02 0.03 -0.04 3.95 4.01 2ri5A1 SER 253 HB3 0.00 -0.03 -0.06 -0.04 3.93 3.80 2ri5A1 MET 254 H 0.09 0.57 0.02 -0.55 8.47 8.61 2ri5A1 MET 254 HA 0.07 0.19 0.98 -0.75 4.52 5.00 2ri5A1 MET 254 HB2 0.22 0.05 0.12 -0.04 2.15 2.50 2ri5A1 MET 254 HB3 -0.08 0.01 -0.01 -0.04 2.03 1.92 2ri5A1 MET 254 HG2 0.03 0.05 -0.08 -0.04 2.63 2.59 2ri5A1 MET 254 HG3 0.09 -0.10 -0.13 -0.04 2.56 2.37 2ri5A1 MET 254 HE3 -0.16 -0.02 -0.01 -0.04 2.10 1.87 2ri5A1 TYR 255 H 0.12 0.20 0.22 -0.55 8.29 8.27 2ri5A1 TYR 255 HA 0.17 0.35 0.82 -0.75 4.56 5.15 2ri5A1 TYR 255 HB2 0.09 0.15 0.16 -0.04 3.06 3.43 2ri5A1 TYR 255 HB3 0.15 -0.08 -0.08 -0.04 2.98 2.93 2ri5A1 TYR 255 HD2 0.16 -0.00 -0.16 -0.04 7.15 7.10 2ri5A1 TYR 255 HE2 0.16 0.03 -0.15 -0.04 6.85 6.84 2ri5A1 PHE 256 H 0.29 0.72 0.34 -0.55 8.34 9.14 2ri5A1 PHE 256 HA -0.03 0.22 0.93 -0.75 4.62 4.98 2ri5A1 PHE 256 HB2 0.06 0.05 -0.13 -0.04 3.15 3.08 2ri5A1 PHE 256 HB3 0.08 0.07 -0.03 -0.04 3.06 3.14 2ri5A1 PHE 256 HD2 0.12 0.05 -0.23 -0.04 7.28 7.18 2ri5A1 PHE 256 HE2 -0.04 0.00 -0.12 -0.04 7.38 7.19 2ri5A1 PHE 256 HZ -0.15 -0.02 -0.07 -0.04 7.32 7.03 2ri5A1 ILE 257 H 0.02 0.21 0.15 -0.55 8.25 8.08 2ri5A1 ILE 257 HA 0.15 0.18 0.75 -0.75 4.18 4.50 2ri5A1 ILE 257 HB -0.18 -0.03 0.15 -0.04 1.89 1.79 2ri5A1 ILE 257 HG12 -0.61 0.11 0.04 -0.04 1.49 0.99 2ri5A1 ILE 257 HG13 -1.02 -0.05 -0.01 -0.04 1.21 0.09 2ri5A1 ILE 257 HG23 0.13 0.00 -0.06 -0.04 0.93 0.95 2ri5A1 ILE 257 HD13 -0.40 -0.02 -0.12 -0.04 0.88 0.30 2ri5A1 LEU 258 H 0.17 0.62 0.34 -0.55 8.37 8.95 2ri5A1 LEU 258 HA -0.08 0.29 1.01 -0.75 4.35 4.82 2ri5A1 LEU 258 HB2 -0.07 -0.06 -0.22 -0.04 1.64 1.25 2ri5A1 LEU 258 HB3 -0.24 -0.03 -0.13 -0.04 1.64 1.21 2ri5A1 LEU 258 HG -0.07 0.04 -0.54 -0.04 1.64 1.03 2ri5A1 LEU 258 HD13 -0.10 0.01 -0.30 -0.04 0.93 0.51 2ri5A1 LEU 258 HD23 -0.78 0.03 -0.36 -0.04 0.89 -0.27 2ri5A1 THR 259 H -0.03 0.46 0.31 -0.55 8.28 8.47 2ri5A1 THR 259 HA 0.07 0.36 1.08 -0.75 4.39 5.14 2ri5A1 THR 259 HB 0.12 -0.06 -0.01 -0.04 4.32 4.33 2ri5A1 THR 259 HG23 0.04 0.08 -0.23 -0.04 1.22 1.07 2ri5A1 VAL 260 H -0.01 0.75 0.16 -0.55 8.24 8.60 2ri5A1 VAL 260 HA -0.20 0.12 0.52 -0.75 4.13 3.81 2ri5A1 VAL 260 HB -0.02 -0.01 0.16 -0.04 2.12 2.22 2ri5A1 VAL 260 HG13 -0.10 -0.03 -0.39 -0.04 0.97 0.41 2ri5A1 VAL 260 HG23 -0.03 0.01 -0.07 -0.04 0.95 0.82 2ri5A1 ALA 261 H -0.24 0.81 0.46 -0.55 8.40 8.88 2ri5A1 ALA 261 HA -0.11 0.09 0.74 -0.75 4.34 4.30 2ri5A1 ALA 261 HB3 -0.17 -0.00 -0.05 -0.04 1.41 1.14 2ri5A1 GLU 262 H -0.27 0.31 0.17 -0.55 8.60 8.26 2ri5A1 GLU 262 HA -0.11 0.10 0.51 -0.75 4.29 4.04 2ri5A1 GLU 262 HB2 -0.19 0.14 -0.25 -0.04 2.09 1.75 2ri5A1 GLU 262 HB3 -0.52 -0.10 -0.08 -0.04 1.99 1.25 2ri5A1 GLU 262 HG2 0.04 0.04 -0.19 -0.04 2.34 2.19 2ri5A1 GLU 262 HG3 -0.01 0.02 0.09 -0.04 2.34 2.40 2ri5A1 VAL 263 H -0.02 0.26 0.15 -0.55 8.24 8.08 2ri5A1 VAL 263 HA -0.00 0.24 0.99 -0.75 4.13 4.60 2ri5A1 VAL 263 HB 0.01 -0.08 0.08 -0.04 2.12 2.09 2ri5A1 VAL 263 HG13 0.04 0.05 -0.09 -0.04 0.97 0.93 2ri5A1 VAL 263 HG23 -0.02 0.01 -0.35 -0.04 0.95 0.55 2ri5A1 CYS 264 H 0.18 0.67 0.07 -0.55 8.50 8.86 2ri5A1 CYS 264 HA 0.04 0.09 0.76 -0.75 4.58 4.72 2ri5A1 CYS 264 HB2 0.21 -0.03 -0.26 -0.04 2.97 2.85 2ri5A1 CYS 264 HB3 0.25 -0.02 0.00 -0.04 2.97 3.16 2ri5A1 GLY 265 H 0.02 0.17 0.12 -0.55 8.43 8.19 2ri5A1 GLY 265 HA2 0.00 0.29 0.30 -0.51 4.01 4.10 2ri5A1 GLY 265 HA3 0.06 -0.09 0.17 -0.51 4.01 3.64 2ri5A1 TYR 266 H -0.04 0.11 0.14 -0.55 8.29 7.94 2ri5A1 TYR 266 HA -0.02 0.13 0.69 -0.75 4.56 4.60 2ri5A1 TYR 266 HB2 -0.32 0.08 0.14 -0.04 3.06 2.91 2ri5A1 TYR 266 HB3 -0.24 0.00 0.13 -0.04 2.98 2.83 2ri5A1 TYR 266 HD2 0.12 0.05 -0.01 -0.04 7.15 7.27 2ri5A1 TYR 266 HE2 0.07 0.05 -0.20 -0.04 6.85 6.73 2ri5A1 ARG 267 H 0.18 0.55 -0.44 -0.55 8.46 8.20 2ri5A1 ARG 267 HA 0.09 0.10 1.10 -0.75 4.34 4.88 2ri5A1 ARG 267 HB2 0.45 0.09 0.00 -0.04 1.90 2.39 2ri5A1 ARG 267 HB3 0.46 0.03 0.05 -0.04 1.80 2.30 2ri5A1 ARG 267 HG2 0.36 -0.01 -0.18 -0.04 1.67 1.81 2ri5A1 ARG 267 HG3 0.40 -0.14 -0.26 -0.04 1.67 1.62 2ri5A1 ARG 267 HD2 0.16 -0.04 -0.15 -0.04 3.22 3.15 2ri5A1 ARG 267 HD3 0.15 0.03 -0.12 -0.04 3.22 3.25 2ri5A1 LEU 268 H 0.11 0.64 0.31 -0.55 8.37 8.88 2ri5A1 LEU 268 HA -0.11 0.13 0.74 -0.75 4.35 4.36 2ri5A1 LEU 268 HB2 -0.31 0.02 -0.01 -0.04 1.64 1.30 2ri5A1 LEU 268 HB3 -0.18 0.04 -0.14 -0.04 1.64 1.32 2ri5A1 LEU 268 HG -0.37 -0.04 -0.13 -0.04 1.64 1.07 2ri5A1 LEU 268 HD13 -0.82 -0.01 -0.23 -0.04 0.93 -0.17 2ri5A1 LEU 268 HD23 -0.39 -0.01 -0.39 -0.04 0.89 0.05 2ri5A1 ARG 269 H -0.66 0.48 0.22 -0.55 8.46 7.94 2ri5A1 ARG 269 HA -1.09 0.26 0.85 -0.75 4.34 3.60 2ri5A1 ARG 269 HB2 -2.75 0.01 -0.10 -0.04 1.90 -0.98 2ri5A1 ARG 269 HB3 -0.90 -0.12 0.05 -0.04 1.80 0.79 2ri5A1 ARG 269 HG2 -0.48 -0.05 -0.30 -0.04 1.67 0.79 2ri5A1 ARG 269 HG3 -0.79 0.09 -0.16 -0.04 1.67 0.77 2ri5A1 ARG 269 HD2 -0.19 0.05 -0.14 -0.04 3.22 2.90 2ri5A1 ARG 269 HD3 -0.51 -0.01 -0.17 -0.04 3.22 2.49 2ri5A1 LEU 270 H -0.78 0.90 0.39 -0.55 8.37 8.34 2ri5A1 LEU 270 HA -0.38 0.21 0.95 -0.75 4.35 4.38 2ri5A1 LEU 270 HB2 -1.43 0.07 0.03 -0.04 1.64 0.27 2ri5A1 LEU 270 HB3 -0.60 -0.04 -0.12 -0.04 1.64 0.83 2ri5A1 LEU 270 HG -0.55 -0.01 -0.35 -0.04 1.64 0.69 2ri5A1 LEU 270 HD13 -0.45 0.00 -0.20 -0.04 0.93 0.25 2ri5A1 LEU 270 HD23 -0.32 -0.00 -0.34 -0.04 0.89 0.19 2ri5A1 HIS 271 H -0.14 0.43 0.29 -0.55 8.41 8.45 2ri5A1 HIS 271 HA -0.04 0.18 0.84 -0.75 4.63 4.86 2ri5A1 HIS 271 HB2 -0.09 0.02 -0.15 -0.04 3.26 3.00 2ri5A1 HIS 271 HB3 -0.07 0.01 0.02 -0.04 3.20 3.11 2ri5A1 HIS 271 HD2 0.03 -0.11 -0.35 -0.04 6.97 6.50 2ri5A1 HIS 271 HE1 0.06 0.23 -0.12 -0.04 7.75 7.87 2ri5A1 PHE 272 H -0.09 0.24 -0.06 -0.55 8.34 7.88 2ri5A1 PHE 272 HA -0.14 0.16 0.56 -0.75 4.62 4.45 2ri5A1 PHE 272 HB2 -0.38 0.02 0.06 -0.04 3.15 2.81 2ri5A1 PHE 272 HB3 -0.38 0.02 -0.05 -0.04 3.06 2.60 2ri5A1 PHE 272 HD2 -0.42 0.01 -0.15 -0.04 7.28 6.67 2ri5A1 PHE 272 HE2 -0.40 0.10 -0.11 -0.04 7.38 6.93 2ri5A1 PHE 272 HZ -0.30 -0.08 -0.01 -0.04 7.32 6.88 2ri5A1 ASP 273 H 0.05 0.38 0.22 -0.55 8.40 8.50 2ri5A1 ASP 273 HA 0.19 0.02 0.30 -0.75 4.63 4.39 2ri5A1 ASP 273 HB2 0.09 -0.01 0.11 -0.04 2.71 2.85 2ri5A1 ASP 273 HB3 0.20 -0.01 -0.05 -0.04 2.70 2.80 2ri5A1 GLY 274 H 0.19 0.16 0.15 -0.55 8.43 8.38 2ri5A1 GLY 274 HA2 0.03 0.02 0.35 -0.51 4.01 3.91 2ri5A1 GLY 274 HA3 -0.04 -0.01 0.58 -0.51 4.01 4.02 2ri5A1 TYR 275 H 0.11 0.55 -0.35 -0.55 8.29 8.05 2ri5A1 TYR 275 HA -0.14 0.13 0.89 -0.75 4.56 4.69 2ri5A1 TYR 275 HB2 -0.33 0.10 0.01 -0.04 3.06 2.80 2ri5A1 TYR 275 HB3 -0.76 -0.02 0.12 -0.04 2.98 2.28 2ri5A1 TYR 275 HD2 -0.26 0.08 -0.14 -0.04 7.15 6.79 2ri5A1 TYR 275 HE2 0.00 -0.01 -0.02 -0.04 6.85 6.79 2ri5A1 SER 276 H -0.06 0.08 0.17 -0.55 8.46 8.10 2ri5A1 SER 276 HA 0.13 0.07 0.46 -0.75 4.49 4.40 2ri5A1 SER 276 HB2 0.10 -0.05 0.13 -0.04 3.95 4.09 2ri5A1 SER 276 HB3 0.07 0.00 0.14 -0.04 3.93 4.11 2ri5A1 GLU 277 H 0.14 0.10 0.12 -0.55 8.60 8.42 2ri5A1 GLU 277 HA 0.29 0.09 0.26 -0.75 4.29 4.17 2ri5A1 GLU 277 HB2 0.06 0.00 0.13 -0.04 2.09 2.24 2ri5A1 GLU 277 HB3 0.08 0.00 0.14 -0.04 1.99 2.17 2ri5A1 GLU 277 HG2 0.06 0.03 0.09 -0.04 2.34 2.48 2ri5A1 GLU 277 HG3 0.04 0.01 0.05 -0.04 2.34 2.40 2ri5A1 HIS 279 HA -0.01 -0.04 0.28 -0.75 4.63 4.10 2ri5A1 HIS 279 HB2 -0.04 -0.00 -0.02 -0.04 3.26 3.15 2ri5A1 HIS 279 HB3 -0.43 -0.06 0.07 -0.04 3.20 2.74 2ri5A1 HIS 279 HD2 -0.80 -0.02 0.01 -0.04 6.97 6.12 2ri5A1 HIS 279 HE1 0.01 -0.03 0.05 -0.04 7.75 7.74 2ri5A1 ASP 280 H 0.22 0.32 -0.92 -0.55 8.40 7.47 2ri5A1 ASP 280 HA 0.17 0.10 0.49 -0.75 4.63 4.64 2ri5A1 ASP 280 HB2 0.09 0.12 0.17 -0.04 2.71 3.05 2ri5A1 ASP 280 HB3 -0.07 -0.08 -0.02 -0.04 2.70 2.49 2ri5A1 PHE 281 H -0.28 0.40 0.37 -0.55 8.34 8.28 2ri5A1 PHE 281 HA 0.11 0.12 0.69 -0.75 4.62 4.78 2ri5A1 PHE 281 HB2 0.07 -0.01 0.11 -0.04 3.15 3.28 2ri5A1 PHE 281 HB3 0.07 0.15 -0.12 -0.04 3.06 3.12 2ri5A1 PHE 281 HD2 0.07 0.17 -0.15 -0.04 7.28 7.33 2ri5A1 PHE 281 HE2 -0.40 -0.04 -0.17 -0.04 7.38 6.73 2ri5A1 PHE 281 HZ -0.24 0.02 -0.14 -0.04 7.32 6.92 2ri5A1 TRP 282 H 0.47 0.18 0.16 -0.55 7.97 8.24 2ri5A1 TRP 282 HA -0.14 0.28 1.13 -0.75 4.62 5.14 2ri5A1 TRP 282 HB2 0.04 -0.00 0.03 -0.04 3.23 3.26 2ri5A1 TRP 282 HB3 0.02 0.05 -0.08 -0.04 3.23 3.18 2ri5A1 TRP 282 HD1 0.03 -0.00 -0.17 -0.04 7.22 7.03 2ri5A1 TRP 282 HE1 0.00 -0.03 -0.21 -0.04 10.20 9.92 2ri5A1 TRP 282 HE3 0.02 0.03 -0.28 -0.04 7.59 7.33 2ri5A1 TRP 282 HZ2 -0.02 -0.03 -0.12 -0.04 7.44 7.24 2ri5A1 TRP 282 HZ3 0.02 0.00 -0.31 -0.04 7.13 6.80 2ri5A1 TRP 282 HH2 -0.03 -0.01 -0.18 -0.04 7.19 6.93 2ri5A1 VAL 283 H 0.05 0.59 0.38 -0.55 8.24 8.71 2ri5A1 VAL 283 HA 0.12 0.14 0.75 -0.75 4.13 4.38 2ri5A1 VAL 283 HB -0.04 -0.06 0.12 -0.04 2.12 2.10 2ri5A1 VAL 283 HG13 0.15 -0.00 -0.27 -0.04 0.97 0.80 2ri5A1 VAL 283 HG23 -0.24 0.02 -0.19 -0.04 0.95 0.50 2ri5A1 ASN 284 H 0.03 0.09 0.17 -0.55 8.53 8.27 2ri5A1 ASN 284 HA 0.07 0.24 0.86 -0.75 4.76 5.18 2ri5A1 ASN 284 HB2 0.09 -0.10 0.04 -0.04 2.88 2.87 2ri5A1 ASN 284 HB3 0.22 0.08 0.15 -0.04 2.79 3.20 2ri5A1 ASN 284 HD21 0.13 0.29 -0.04 -0.04 7.03 7.38 2ri5A1 ASN 284 HD22 0.12 -0.09 0.02 -0.04 7.74 7.75 2ri5A1 ALA 285 H -0.55 0.82 0.31 -0.55 8.40 8.43 2ri5A1 ALA 285 HA -0.30 0.03 0.32 -0.75 4.34 3.63 2ri5A1 ALA 285 HB3 -0.70 0.01 0.04 -0.04 1.41 0.72 2ri5A1 ASN 286 H -0.16 0.07 -0.38 -0.55 8.53 7.52 2ri5A1 ASN 286 HA 0.01 0.25 0.86 -0.75 4.76 5.12 2ri5A1 ASN 286 HB2 0.13 -0.04 0.16 -0.04 2.88 3.09 2ri5A1 ASN 286 HB3 0.30 0.01 0.00 -0.04 2.79 3.06 2ri5A1 ASN 286 HD21 0.24 0.36 0.13 -0.04 7.03 7.71 2ri5A1 ASN 286 HD22 0.20 -0.11 0.07 -0.04 7.74 7.86 2ri5A1 SER 287 H -0.10 0.41 -0.39 -0.55 8.46 7.83 2ri5A1 SER 287 HA -0.05 0.08 0.45 -0.75 4.49 4.22 2ri5A1 SER 287 HB2 -0.07 -0.05 0.16 -0.04 3.95 3.94 2ri5A1 SER 287 HB3 -0.15 0.09 0.07 -0.04 3.93 3.90 2ri5A1 PRO 288 HA -0.11 0.11 0.70 -0.51 4.44 4.64 2ri5A1 PRO 288 HB2 -0.10 -0.00 0.08 -0.04 2.28 2.22 2ri5A1 PRO 288 HB3 -0.04 0.05 0.05 -0.04 2.02 2.03 2ri5A1 PRO 288 HG2 -0.19 0.03 -0.11 -0.04 2.03 1.73 2ri5A1 PRO 288 HG3 -0.08 0.04 0.03 -0.04 2.03 1.97 2ri5A1 PRO 288 HD2 -0.11 0.05 0.22 -0.04 3.68 3.80 2ri5A1 PRO 288 HD3 -0.05 0.24 0.23 -0.04 3.65 4.02 2ri5A1 ASP 289 H -0.22 0.05 -0.27 -0.55 8.40 7.42 2ri5A1 ASP 289 HA -0.50 0.20 0.71 -0.75 4.63 4.29 2ri5A1 ASP 289 HB2 -0.18 0.01 -0.00 -0.04 2.71 2.50 2ri5A1 ASP 289 HB3 -0.30 -0.01 0.12 -0.04 2.70 2.48 2ri5A1 ILE 290 H -0.39 0.24 -0.34 -0.55 8.25 7.21 2ri5A1 ILE 290 HA -0.32 0.18 0.94 -0.75 4.18 4.22 2ri5A1 ILE 290 HB 0.05 0.03 -0.01 -0.04 1.89 1.92 2ri5A1 ILE 290 HG12 -0.14 -0.08 -0.09 -0.04 1.49 1.13 2ri5A1 ILE 290 HG13 0.17 0.02 -0.19 -0.04 1.21 1.16 2ri5A1 ILE 290 HG23 -0.14 -0.03 -0.23 -0.04 0.93 0.48 2ri5A1 ILE 290 HD13 -0.33 0.01 -0.13 -0.04 0.88 0.39 2ri5A1 HIS 291 H -0.29 0.83 0.34 -0.55 8.41 8.75 2ri5A1 HIS 291 HA -0.62 0.27 0.80 -0.75 4.63 4.33 2ri5A1 HIS 291 HB2 -0.77 -0.17 -0.12 -0.04 3.26 2.17 2ri5A1 HIS 291 HB3 -1.09 0.04 0.08 -0.04 3.20 2.19 2ri5A1 HIS 291 HD2 -1.42 -0.09 -0.35 -0.04 6.97 5.07 2ri5A1 HIS 291 HE1 -0.39 -0.03 -0.11 -0.04 7.75 7.18 2ri5A1 PRO 292 HA -0.74 0.11 0.65 -0.51 4.44 3.94 2ri5A1 PRO 292 HB2 -0.22 0.06 0.03 -0.04 2.28 2.11 2ri5A1 PRO 292 HB3 -0.51 0.08 0.02 -0.04 2.02 1.57 2ri5A1 PRO 292 HG2 -0.07 -0.01 0.05 -0.04 2.03 1.96 2ri5A1 PRO 292 HG3 -0.10 0.07 0.08 -0.04 2.03 2.04 2ri5A1 PRO 292 HD2 -0.30 0.16 0.27 -0.04 3.68 3.77 2ri5A1 PRO 292 HD3 -0.94 0.17 0.13 -0.04 3.65 2.97 2ri5A1 ALA 293 H -0.40 0.22 0.20 -0.55 8.40 7.88 2ri5A1 ALA 293 HA -0.45 -0.03 0.38 -0.75 4.34 3.48 2ri5A1 ALA 293 HB3 -1.55 0.02 0.08 -0.04 1.41 -0.09 2ri5A1 GLY 294 H 0.43 0.08 0.15 -0.55 8.43 8.54 2ri5A1 GLY 294 HA2 0.34 -0.05 0.35 -0.51 4.01 4.14 2ri5A1 GLY 294 HA3 0.07 0.24 0.68 -0.51 4.01 4.49 2ri5A1 TRP 295 H 0.32 0.53 -0.19 -0.55 7.97 8.09 2ri5A1 TRP 295 HA -0.05 0.12 0.34 -0.75 4.62 4.27 2ri5A1 TRP 295 HB2 -0.10 0.13 0.06 -0.04 3.23 3.28 2ri5A1 TRP 295 HB3 0.01 -0.09 -0.00 -0.04 3.23 3.10 2ri5A1 TRP 295 HD1 -0.18 0.08 -0.06 -0.04 7.22 7.02 2ri5A1 TRP 295 HE1 -0.39 -0.08 -0.33 -0.04 10.20 9.35 2ri5A1 TRP 295 HE3 -0.10 -0.14 -0.28 -0.04 7.59 7.03 2ri5A1 TRP 295 HZ2 -0.47 -0.00 -0.13 -0.04 7.44 6.79 2ri5A1 TRP 295 HZ3 -1.44 -0.01 -0.21 -0.04 7.13 5.44 2ri5A1 TRP 295 HH2 -1.29 0.03 -0.16 -0.04 7.19 5.73 2ri5A1 PHE 296 H 0.77 0.04 -0.19 -0.55 8.34 8.42 2ri5A1 PHE 296 HA -0.43 0.08 0.21 -0.75 4.62 3.73 2ri5A1 PHE 296 HB2 0.05 0.11 -0.36 -0.04 3.15 2.91 2ri5A1 PHE 296 HB3 0.27 -0.03 -0.12 -0.04 3.06 3.14 2ri5A1 PHE 296 HD2 0.20 0.04 -0.19 -0.04 7.28 7.29 2ri5A1 PHE 296 HE2 0.28 -0.03 -0.05 -0.04 7.38 7.55 2ri5A1 PHE 296 HZ 0.22 0.00 -0.06 -0.04 7.32 7.44 2ri5A1 GLU 297 H -0.92 0.00 -0.43 -0.55 8.60 6.70 2ri5A1 GLU 297 HA -0.71 0.14 0.44 -0.75 4.29 3.40 2ri5A1 GLU 297 HB2 -1.19 -0.11 0.06 -0.04 2.09 0.80 2ri5A1 GLU 297 HB3 -0.38 0.13 0.11 -0.04 1.99 1.81 2ri5A1 GLU 297 HG2 -0.21 0.05 -0.12 -0.04 2.34 2.02 2ri5A1 GLU 297 HG3 -0.29 0.03 0.05 -0.04 2.34 2.09 2ri5A1 LYS 298 H -0.29 0.38 -0.06 -0.55 8.42 7.89 2ri5A1 LYS 298 HA -0.19 0.09 0.60 -0.75 4.32 4.07 2ri5A1 LYS 298 HB2 -0.11 -0.03 0.13 -0.04 1.87 1.82 2ri5A1 LYS 298 HB3 -0.12 -0.04 0.11 -0.04 1.79 1.70 2ri5A1 LYS 298 HG2 -0.23 0.03 0.06 -0.04 1.46 1.28 2ri5A1 LYS 298 HG3 -0.23 0.07 -0.34 -0.04 1.46 0.93 2ri5A1 LYS 298 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.60 2ri5A1 LYS 298 HD3 0.01 -0.09 -0.03 -0.04 1.68 1.53 2ri5A1 LYS 298 HE2 0.17 -0.11 -0.01 -0.04 2.99 3.00 2ri5A1 LYS 298 HE3 0.05 0.00 0.01 -0.04 2.99 3.01 2ri5A1 THR 299 H -0.53 0.29 -0.29 -0.55 8.28 7.20 2ri5A1 THR 299 HA -0.32 0.23 0.95 -0.75 4.39 4.50 2ri5A1 THR 299 HB -0.46 -0.02 0.14 -0.04 4.32 3.94 2ri5A1 THR 299 HG23 -0.75 -0.00 -0.07 -0.04 1.22 0.35 2ri5A1 GLY 300 H -0.32 0.21 -0.26 -0.55 8.43 7.51 2ri5A1 GLY 300 HA2 -0.20 0.00 0.31 -0.51 4.01 3.61 2ri5A1 GLY 300 HA3 -0.26 0.05 0.44 -0.51 4.01 3.73 2ri5A1 HIS 301 H -0.27 0.18 -0.12 -0.55 8.41 7.65 2ri5A1 HIS 301 HA -0.03 0.14 0.64 -0.75 4.63 4.63 2ri5A1 HIS 301 HB2 -0.31 -0.14 -0.03 -0.04 3.26 2.74 2ri5A1 HIS 301 HB3 -0.13 0.03 0.05 -0.04 3.20 3.10 2ri5A1 HIS 301 HD2 0.27 0.02 0.00 -0.04 6.97 7.22 2ri5A1 HIS 301 HE1 -0.07 0.05 -0.01 -0.04 7.75 7.67 2ri5A1 LYS 302 H 0.23 0.17 0.17 -0.55 8.42 8.44 2ri5A1 LYS 302 HA 0.20 0.14 0.74 -0.75 4.32 4.65 2ri5A1 LYS 302 HB2 0.12 -0.01 0.09 -0.04 1.87 2.02 2ri5A1 LYS 302 HB3 0.06 0.01 -0.00 -0.04 1.79 1.81 2ri5A1 LYS 302 HG2 0.06 0.01 -0.01 -0.04 1.46 1.47 2ri5A1 LYS 302 HG3 0.07 0.06 -0.19 -0.04 1.46 1.36 2ri5A1 LYS 302 HD2 0.09 -0.00 0.04 -0.04 1.69 1.77 2ri5A1 LYS 302 HD3 0.05 -0.03 0.00 -0.04 1.68 1.66 2ri5A1 LYS 302 HE2 0.03 -0.02 0.01 -0.04 2.99 2.97 2ri5A1 LYS 302 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.95 2ri5A1 LEU 303 H -0.00 0.20 0.08 -0.55 8.37 8.10 2ri5A1 LEU 303 HA -0.11 0.22 0.91 -0.75 4.35 4.62 2ri5A1 LEU 303 HB2 -0.88 -0.06 -0.19 -0.04 1.64 0.46 2ri5A1 LEU 303 HB3 -0.82 -0.04 -0.01 -0.04 1.64 0.73 2ri5A1 LEU 303 HG -0.68 0.16 -0.43 -0.04 1.64 0.66 2ri5A1 LEU 303 HD13 -0.17 0.03 -0.36 -0.04 0.93 0.39 2ri5A1 LEU 303 HD23 -0.95 -0.05 -0.16 -0.04 0.89 -0.32 2ri5A1 GLN 304 H -0.41 0.77 0.29 -0.55 8.47 8.57 2ri5A1 GLN 304 HA -0.28 0.04 0.54 -0.75 4.36 3.91 2ri5A1 GLN 304 HB2 -1.49 -0.01 0.14 -0.04 2.15 0.75 2ri5A1 GLN 304 HB3 -0.49 0.03 0.04 -0.04 2.02 1.56 2ri5A1 GLN 304 HG2 -0.61 0.07 0.11 -0.04 2.40 1.93 2ri5A1 GLN 304 HG3 -0.91 -0.04 -0.03 -0.04 2.39 1.37 2ri5A1 GLN 304 HE21 -0.08 -0.02 -0.02 -0.04 6.97 6.81 2ri5A1 GLN 304 HE22 -0.14 0.03 0.00 -0.04 7.69 7.54 2ri5A1 PRO 305 HA -0.58 0.08 0.46 -0.51 4.44 3.90 2ri5A1 PRO 305 HB2 -0.05 0.03 -0.21 -0.04 2.28 2.01 2ri5A1 PRO 305 HB3 -0.18 -0.06 -0.09 -0.04 2.02 1.65 2ri5A1 PRO 305 HG2 -0.03 0.15 -0.06 -0.04 2.03 2.04 2ri5A1 PRO 305 HG3 -0.04 -0.26 0.07 -0.04 2.03 1.76 2ri5A1 PRO 305 HD2 -0.13 0.11 0.24 -0.04 3.68 3.85 2ri5A1 PRO 305 HD3 -0.16 0.17 0.28 -0.04 3.65 3.91 2ri5A1 PRO 306 HA 0.06 0.20 0.43 -0.51 4.44 4.62 2ri5A1 PRO 306 HB2 -0.33 -0.04 -0.11 -0.04 2.28 1.75 2ri5A1 PRO 306 HB3 -0.09 0.10 -0.10 -0.04 2.02 1.88 2ri5A1 PRO 306 HG2 -1.21 0.01 0.01 -0.04 2.03 0.80 2ri5A1 PRO 306 HG3 -0.53 0.06 0.06 -0.04 2.03 1.58 2ri5A1 PRO 306 HD2 -0.80 0.02 0.13 -0.04 3.68 2.99 2ri5A1 PRO 306 HD3 -0.93 0.12 0.16 -0.04 3.65 2.96 2ri5A1 LYS 307 H -0.06 0.30 0.13 -0.55 8.42 8.24 2ri5A1 LYS 307 HA -0.07 0.05 0.35 -0.75 4.32 3.89 2ri5A1 LYS 307 HB2 -1.16 -0.00 0.06 -0.04 1.87 0.73 2ri5A1 LYS 307 HB3 -0.42 0.09 0.20 -0.04 1.79 1.61 2ri5A1 LYS 307 HG2 -0.18 -0.01 -0.01 -0.04 1.46 1.21 2ri5A1 LYS 307 HG3 -0.26 -0.03 0.01 -0.04 1.46 1.14 2ri5A1 LYS 307 HD2 -0.71 0.12 0.04 -0.04 1.69 1.10 2ri5A1 LYS 307 HD3 -0.23 -0.02 0.07 -0.04 1.68 1.46 2ri5A1 LYS 307 HE2 -0.13 -0.03 0.01 -0.04 2.99 2.80 2ri5A1 LYS 307 HE3 -0.29 -0.01 0.01 -0.04 2.99 2.66 2ri5A1 GLY 308 H 0.10 0.25 0.48 -0.55 8.43 8.71 2ri5A1 GLY 308 HA2 0.04 -0.00 0.36 -0.51 4.01 3.90 2ri5A1 GLY 308 HA3 0.16 0.04 0.38 -0.51 4.01 4.08 2ri5A1 TYR 309 H 0.28 0.50 0.20 -0.55 8.29 8.72 2ri5A1 TYR 309 HA 0.02 0.22 0.89 -0.75 4.56 4.94 2ri5A1 TYR 309 HB2 -0.05 0.01 0.04 -0.04 3.06 3.01 2ri5A1 TYR 309 HB3 0.03 -0.14 0.14 -0.04 2.98 2.97 2ri5A1 TYR 309 HD2 0.10 -0.05 -0.18 -0.04 7.15 6.99 2ri5A1 TYR 309 HE2 0.20 -0.01 -0.09 -0.04 6.85 6.90 2ri5A1 LYS 310 H 0.19 0.25 0.02 -0.55 8.42 8.32 2ri5A1 LYS 310 HA 0.03 0.13 0.55 -0.75 4.32 4.28 2ri5A1 LYS 310 HB2 0.04 -0.08 0.06 -0.04 1.87 1.85 2ri5A1 LYS 310 HB3 0.03 0.02 -0.01 -0.04 1.79 1.78 2ri5A1 LYS 310 HG2 0.02 0.03 0.05 -0.04 1.46 1.52 2ri5A1 LYS 310 HG3 0.03 0.23 -0.67 -0.04 1.46 1.01 2ri5A1 LYS 310 HD2 0.01 -0.04 -0.08 -0.04 1.69 1.53 2ri5A1 LYS 310 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.58 2ri5A1 LYS 310 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 2ri5A1 LYS 310 HE3 0.01 0.08 -0.06 -0.04 2.99 2.97 2ri5A1 GLU 311 H -0.03 0.24 0.07 -0.55 8.60 8.33 2ri5A1 GLU 311 HA 0.03 -0.00 0.28 -0.75 4.29 3.84 2ri5A1 GLU 311 HB2 -0.11 0.01 0.12 -0.04 2.09 2.07 2ri5A1 GLU 311 HB3 -0.16 0.03 0.20 -0.04 1.99 2.03 2ri5A1 GLU 311 HG2 -0.07 0.03 0.11 -0.04 2.34 2.37 2ri5A1 GLU 311 HG3 -0.01 -0.05 0.16 -0.04 2.34 2.39 2ri5A1 GLU 312 H 0.09 0.61 0.41 -0.55 8.60 9.16 2ri5A1 GLU 312 HA 0.06 0.13 0.63 -0.75 4.29 4.36 2ri5A1 GLU 312 HB2 0.03 0.06 0.02 -0.04 2.09 2.16 2ri5A1 GLU 312 HB3 0.04 -0.06 0.04 -0.04 1.99 1.97 2ri5A1 GLU 312 HG2 0.03 -0.03 -0.03 -0.04 2.34 2.27 2ri5A1 GLU 312 HG3 0.04 0.00 -0.21 -0.04 2.34 2.13 2ri5A1 GLU 313 H 0.07 0.31 0.24 -0.55 8.60 8.68 2ri5A1 GLU 313 HA 0.07 0.15 0.64 -0.75 4.29 4.39 2ri5A1 GLU 313 HB2 0.04 0.00 0.21 -0.04 2.09 2.31 2ri5A1 GLU 313 HB3 0.03 0.01 0.13 -0.04 1.99 2.12 2ri5A1 GLU 313 HG2 0.04 -0.01 0.18 -0.04 2.34 2.51 2ri5A1 GLU 313 HG3 0.09 0.02 0.25 -0.04 2.34 2.66 2ri5A1 PHE 314 H 0.16 0.54 -0.09 -0.55 8.34 8.40 2ri5A1 PHE 314 HA 0.07 0.17 0.77 -0.75 4.62 4.88 2ri5A1 PHE 314 HB2 -0.06 0.01 -0.19 -0.04 3.15 2.87 2ri5A1 PHE 314 HB3 -0.08 0.02 -0.13 -0.04 3.06 2.83 2ri5A1 PHE 314 HD2 -0.30 0.05 -0.16 -0.04 7.28 6.82 2ri5A1 PHE 314 HE2 -1.17 -0.01 -0.10 -0.04 7.38 6.05 2ri5A1 PHE 314 HZ -1.98 0.00 -0.13 -0.04 7.32 5.17 2ri5A1 SER 315 H -1.30 0.29 0.10 -0.55 8.46 7.00 2ri5A1 SER 315 HA -0.29 0.12 0.49 -0.75 4.49 4.06 2ri5A1 SER 315 HB2 -0.04 -0.01 0.10 -0.04 3.95 3.96 2ri5A1 SER 315 HB3 -0.07 0.26 -0.15 -0.04 3.93 3.93 2ri5A1 TRP 316 H 0.08 0.23 0.12 -0.55 7.97 7.85 2ri5A1 TRP 316 HA -0.05 0.10 0.43 -0.75 4.62 4.35 2ri5A1 TRP 316 HB2 0.08 0.01 0.14 -0.04 3.23 3.42 2ri5A1 TRP 316 HB3 0.09 0.09 -0.05 -0.04 3.23 3.32 2ri5A1 TRP 316 HD1 0.38 0.04 0.02 -0.04 7.22 7.63 2ri5A1 TRP 316 HE1 0.29 -0.05 -0.00 -0.04 10.20 10.40 2ri5A1 TRP 316 HE3 0.22 -0.04 -0.02 -0.04 7.59 7.71 2ri5A1 TRP 316 HZ2 0.08 0.07 -0.18 -0.04 7.44 7.38 2ri5A1 TRP 316 HZ3 0.27 0.07 -0.10 -0.04 7.13 7.33 2ri5A1 TRP 316 HH2 0.13 0.14 -0.01 -0.04 7.19 7.41 2ri5A1 SER 317 H 0.17 0.12 -0.06 -0.55 8.46 8.14 2ri5A1 SER 317 HA 0.14 0.11 0.34 -0.75 4.49 4.33 2ri5A1 SER 317 HB2 0.06 0.08 0.01 -0.04 3.95 4.06 2ri5A1 SER 317 HB3 0.09 0.03 0.10 -0.04 3.93 4.10 2ri5A1 GLN 318 H -0.00 0.07 -0.31 -0.55 8.47 7.68 2ri5A1 GLN 318 HA 0.03 0.13 0.53 -0.75 4.36 4.30 2ri5A1 GLN 318 HB2 -0.03 -0.00 0.04 -0.04 2.15 2.12 2ri5A1 GLN 318 HB3 0.03 0.06 -0.03 -0.04 2.02 2.04 2ri5A1 GLN 318 HG2 0.01 0.05 -0.02 -0.04 2.40 2.41 2ri5A1 GLN 318 HG3 0.02 0.03 -0.03 -0.04 2.39 2.36 2ri5A1 GLN 318 HE21 0.02 0.02 -0.04 -0.04 6.97 6.92 2ri5A1 GLN 318 HE22 0.02 0.03 -0.11 -0.04 7.69 7.59 2ri5A1 TYR 319 H -0.01 0.46 -0.03 -0.55 8.29 8.16 2ri5A1 TYR 319 HA 0.05 0.08 0.46 -0.75 4.56 4.41 2ri5A1 TYR 319 HB2 -0.38 -0.04 0.10 -0.04 3.06 2.70 2ri5A1 TYR 319 HB3 -0.23 -0.00 0.12 -0.04 2.98 2.83 2ri5A1 TYR 319 HD2 -0.07 -0.01 -0.08 -0.04 7.15 6.95 2ri5A1 TYR 319 HE2 -0.11 0.03 -0.10 -0.04 6.85 6.63 2ri5A1 LEU 320 H 0.20 0.73 -0.05 -0.55 8.37 8.71 2ri5A1 LEU 320 HA 0.05 0.03 0.33 -0.75 4.35 4.01 2ri5A1 LEU 320 HB2 0.19 0.10 0.09 -0.04 1.64 1.97 2ri5A1 LEU 320 HB3 0.13 0.15 -0.00 -0.04 1.64 1.88 2ri5A1 LEU 320 HG 0.73 -0.05 -0.02 -0.04 1.64 2.26 2ri5A1 LEU 320 HD13 0.18 -0.03 -0.09 -0.04 0.93 0.95 2ri5A1 LEU 320 HD23 0.27 0.02 -0.33 -0.04 0.89 0.81 2ri5A1 ARG 321 H 0.05 0.22 -0.44 -0.55 8.46 7.74 2ri5A1 ARG 321 HA 0.02 0.07 0.54 -0.75 4.34 4.21 2ri5A1 ARG 321 HB2 0.03 0.04 0.15 -0.04 1.90 2.08 2ri5A1 ARG 321 HB3 0.03 0.07 0.23 -0.04 1.80 2.08 2ri5A1 ARG 321 HG2 0.02 0.01 -0.12 -0.04 1.67 1.54 2ri5A1 ARG 321 HG3 0.01 -0.01 0.03 -0.04 1.67 1.66 2ri5A1 ARG 321 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.16 2ri5A1 ARG 321 HD3 0.02 -0.01 0.02 -0.04 3.22 3.20 2ri5A1 SER 322 H -0.01 0.49 -0.10 -0.55 8.46 8.30 2ri5A1 SER 322 HA -0.00 0.04 0.45 -0.75 4.49 4.23 2ri5A1 SER 322 HB2 0.04 -0.07 0.12 -0.04 3.95 3.99 2ri5A1 SER 322 HB3 0.04 0.10 0.22 -0.04 3.93 4.24 2ri5A1 THR 323 H -0.12 0.18 -0.57 -0.55 8.28 7.23 2ri5A1 THR 323 HA -0.08 0.18 0.86 -0.75 4.39 4.60 2ri5A1 THR 323 HB -0.12 -0.02 0.06 -0.04 4.32 4.19 2ri5A1 THR 323 HG23 -0.51 -0.01 -0.12 -0.04 1.22 0.55 2ri5A1 ARG 324 H -0.03 0.22 -0.29 -0.55 8.46 7.80 2ri5A1 ARG 324 HA 0.00 0.02 0.39 -0.75 4.34 3.99 2ri5A1 ARG 324 HB2 -0.01 0.10 -0.17 -0.04 1.90 1.79 2ri5A1 ARG 324 HB3 0.00 -0.07 0.19 -0.04 1.80 1.88 2ri5A1 ARG 324 HG2 0.00 -0.05 0.05 -0.04 1.67 1.63 2ri5A1 ARG 324 HG3 -0.01 0.12 -0.10 -0.04 1.67 1.64 2ri5A1 ARG 324 HD2 -0.00 -0.05 -0.02 -0.04 3.22 3.11 2ri5A1 ARG 324 HD3 -0.00 -0.04 -0.03 -0.04 3.22 3.10 2ri5A1 ALA 325 H 0.01 0.31 -0.06 -0.55 8.40 8.12 2ri5A1 ALA 325 HA 0.03 0.21 0.92 -0.75 4.34 4.74 2ri5A1 ALA 325 HB3 0.05 0.03 -0.02 -0.04 1.41 1.43 2ri5A1 GLN 326 H 0.05 0.29 0.16 -0.55 8.47 8.43 2ri5A1 GLN 326 HA 0.05 0.12 0.89 -0.75 4.36 4.67 2ri5A1 GLN 326 HB2 0.03 0.02 0.03 -0.04 2.15 2.18 2ri5A1 GLN 326 HB3 0.02 0.06 0.01 -0.04 2.02 2.07 2ri5A1 GLN 326 HG2 0.03 0.00 -0.04 -0.04 2.40 2.35 2ri5A1 GLN 326 HG3 0.03 0.01 -0.37 -0.04 2.39 2.02 2ri5A1 GLN 326 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 2ri5A1 GLN 326 HE22 0.02 -0.02 -0.01 -0.04 7.69 7.63 2ri5A1 ALA 327 H 0.01 0.12 0.15 -0.55 8.40 8.13 2ri5A1 ALA 327 HA -0.03 0.10 0.85 -0.75 4.34 4.51 2ri5A1 ALA 327 HB3 -0.24 -0.02 0.10 -0.04 1.41 1.21 2ri5A1 ALA 328 H 0.05 0.59 0.33 -0.55 8.40 8.82 2ri5A1 ALA 328 HA 0.00 0.07 0.44 -0.75 4.34 4.10 2ri5A1 ALA 328 HB3 0.23 -0.01 0.03 -0.04 1.41 1.62 2ri5A1 PRO 329 HA 0.03 0.03 0.49 -0.51 4.44 4.49 2ri5A1 PRO 329 HB2 0.12 -0.09 0.01 -0.04 2.28 2.28 2ri5A1 PRO 329 HB3 0.07 0.06 0.14 -0.04 2.02 2.25 2ri5A1 PRO 329 HG2 -0.35 -0.01 0.04 -0.04 2.03 1.67 2ri5A1 PRO 329 HG3 0.00 0.08 0.07 -0.04 2.03 2.14 2ri5A1 PRO 329 HD2 -0.14 0.08 0.23 -0.04 3.68 3.80 2ri5A1 PRO 329 HD3 -0.03 0.19 0.22 -0.04 3.65 3.99 2ri5A1 LYS 330 H 0.08 0.13 0.19 -0.55 8.42 8.26 2ri5A1 LYS 330 HA 0.19 0.11 0.34 -0.75 4.32 4.20 2ri5A1 LYS 330 HB2 0.12 -0.05 0.07 -0.04 1.87 1.98 2ri5A1 LYS 330 HB3 0.15 0.06 -0.07 -0.04 1.79 1.89 2ri5A1 LYS 330 HG2 0.02 0.04 0.05 -0.04 1.46 1.53 2ri5A1 LYS 330 HG3 0.03 -0.04 0.11 -0.04 1.46 1.53 2ri5A1 LYS 330 HD2 0.06 -0.03 0.02 -0.04 1.69 1.70 2ri5A1 LYS 330 HD3 0.10 0.04 -0.01 -0.04 1.68 1.76 2ri5A1 LYS 330 HE2 0.04 0.00 -0.01 -0.04 2.99 2.98 2ri5A1 LYS 330 HE3 0.03 0.05 -0.02 -0.04 2.99 3.01 2ri5A1 HIS 331 H 0.21 0.05 -0.13 -0.55 8.41 7.99 2ri5A1 HIS 331 HA 0.09 0.15 0.54 -0.75 4.63 4.66 2ri5A1 HIS 331 HB2 0.02 0.04 0.10 -0.04 3.26 3.38 2ri5A1 HIS 331 HB3 0.03 -0.05 0.08 -0.04 3.20 3.22 2ri5A1 HIS 331 HD2 -0.03 0.03 -0.17 -0.04 6.97 6.75 2ri5A1 HIS 331 HE1 -0.05 0.01 -0.03 -0.04 7.75 7.64 2ri5A1 LEU 332 H -0.32 0.24 -0.61 -0.55 8.37 7.14 2ri5A1 LEU 332 HA -0.30 0.12 0.60 -0.75 4.35 4.02 2ri5A1 LEU 332 HB2 -0.96 0.10 -0.06 -0.04 1.64 0.68 2ri5A1 LEU 332 HB3 -0.99 -0.03 -0.01 -0.04 1.64 0.57 2ri5A1 LEU 332 HG -0.91 -0.08 -0.14 -0.04 1.64 0.47 2ri5A1 LEU 332 HD13 -0.94 0.01 -0.19 -0.04 0.93 -0.23 2ri5A1 LEU 332 HD23 -0.40 -0.02 -0.06 -0.04 0.89 0.37 2ri5A1 PHE 333 H 0.21 0.29 -0.18 -0.55 8.34 8.10 2ri5A1 PHE 333 HA 0.03 0.15 0.60 -0.75 4.62 4.64 2ri5A1 PHE 333 HB2 0.01 0.04 0.05 -0.04 3.15 3.21 2ri5A1 PHE 333 HB3 -0.02 0.07 -0.07 -0.04 3.06 2.99 2ri5A1 PHE 333 HD2 -0.08 0.13 -0.16 -0.04 7.28 7.13 2ri5A1 PHE 333 HE2 -0.05 0.05 -0.30 -0.04 7.38 7.03 2ri5A1 PHE 333 HZ 0.16 -0.05 -0.17 -0.04 7.32 7.22 2ri5A1 VAL 334 H 0.07 0.26 0.15 -0.55 8.24 8.17 2ri5A1 VAL 334 HA 0.09 0.12 0.57 -0.75 4.13 4.15 2ri5A1 VAL 334 HB 0.06 -0.07 0.07 -0.04 2.12 2.14 2ri5A1 VAL 334 HG13 0.06 0.03 0.03 -0.04 0.97 1.06 2ri5A1 VAL 334 HG23 0.02 0.07 -0.20 -0.04 0.95 0.80 2ri5A1 SER 335 H 0.10 0.20 -0.06 -0.55 8.46 8.15 2ri5A1 SER 335 HA 0.06 0.03 0.95 -0.75 4.49 4.78 2ri5A1 SER 335 HB2 0.00 -0.05 0.09 -0.04 3.95 3.95 2ri5A1 SER 335 HB3 -0.02 0.18 0.22 -0.04 3.93 4.27 2ri5A1 GLN 336 H -0.06 0.05 0.10 -0.55 8.47 8.01 2ri5A1 GLN 336 HA 0.10 0.21 0.82 -0.75 4.36 4.74 2ri5A1 GLN 336 HB2 -0.77 -0.06 -0.08 -0.04 2.15 1.20 2ri5A1 GLN 336 HB3 0.04 -0.00 0.08 -0.04 2.02 2.09 2ri5A1 GLN 336 HG2 0.11 0.01 -0.18 -0.04 2.40 2.30 2ri5A1 GLN 336 HG3 0.09 0.01 -0.52 -0.04 2.39 1.93 2ri5A1 GLN 336 HE21 0.23 -0.14 -0.03 -0.04 6.97 6.99 2ri5A1 GLN 336 HE22 0.18 0.47 0.01 -0.04 7.69 8.32 2ri5A1 SER 337 H 0.02 -0.05 0.12 -0.55 8.46 8.00 2ri5A1 SER 337 HA 0.07 0.03 0.41 -0.75 4.49 4.24 2ri5A1 SER 337 HB2 0.36 -0.07 -0.13 -0.04 3.95 4.07 2ri5A1 SER 337 HB3 0.05 0.16 0.10 -0.04 3.93 4.20 2ri5A1 HIS 338 H -0.16 -0.69 0.18 -0.55 8.41 7.19 2ri5A1 HIS 338 HA 0.05 0.18 0.65 -0.75 4.63 4.76 2ri5A1 HIS 338 HB2 0.07 -0.00 -0.12 -0.04 3.26 3.16 2ri5A1 HIS 338 HB3 0.05 0.01 0.06 -0.04 3.20 3.28 2ri5A1 HIS 338 HD2 0.06 0.14 -0.20 -0.04 6.97 6.92 2ri5A1 HIS 338 HE1 0.09 0.05 -0.07 -0.04 7.75 7.78 2ri5A1 SER 339 H -0.01 -0.83 0.24 -0.55 8.46 7.31 2ri5A1 SER 339 HA 0.10 0.10 0.41 -0.75 4.49 4.35 2ri5A1 SER 339 HB2 0.05 0.01 0.23 -0.04 3.95 4.20 2ri5A1 SER 339 HB3 0.07 -0.17 0.20 -0.04 3.93 3.99 2ri5A1 PRO 340 HA 0.08 0.12 0.46 -0.51 4.44 4.60 2ri5A1 PRO 340 HB2 0.08 0.11 0.02 -0.04 2.28 2.45 2ri5A1 PRO 340 HB3 0.07 -0.02 0.12 -0.04 2.02 2.15 2ri5A1 PRO 340 HG2 0.08 0.03 0.06 -0.04 2.03 2.16 2ri5A1 PRO 340 HG3 0.07 -0.01 0.08 -0.04 2.03 2.13 2ri5A1 PRO 340 HD2 0.09 -0.01 0.23 -0.04 3.68 3.94 2ri5A1 PRO 340 HD3 0.09 0.13 0.20 -0.04 3.65 4.03 2ri5A1 PRO 341 HA 0.13 0.50 0.47 -0.51 4.44 5.02 2ri5A1 PRO 341 HB2 0.12 0.13 0.07 -0.04 2.28 2.56 2ri5A1 PRO 341 HB3 0.11 -0.02 0.09 -0.04 2.02 2.16 2ri5A1 PRO 341 HG2 0.10 -0.01 -0.05 -0.04 2.03 2.02 2ri5A1 PRO 341 HG3 0.08 -0.02 0.04 -0.04 2.03 2.09 2ri5A1 PRO 341 HD2 0.08 -0.00 0.19 -0.04 3.68 3.90 2ri5A1 PRO 341 HD3 0.08 0.17 0.16 -0.04 3.65 4.02 2ri5A1 PRO 342 HA 0.14 0.02 0.52 -0.51 4.44 4.61 2ri5A1 PRO 342 HB2 0.17 0.00 -0.06 -0.04 2.28 2.34 2ri5A1 PRO 342 HB3 0.18 0.23 -0.03 -0.04 2.02 2.36 2ri5A1 PRO 342 HG2 0.19 0.04 0.02 -0.04 2.03 2.23 2ri5A1 PRO 342 HG3 0.31 0.01 -0.22 -0.04 2.03 2.09 2ri5A1 PRO 342 HD2 0.17 0.04 0.17 -0.04 3.68 4.02 2ri5A1 PRO 342 HD3 0.19 0.26 0.09 -0.04 3.65 4.16 2ri5A1 LEU 343 H 0.17 0.11 0.17 -0.55 8.37 8.28 2ri5A1 LEU 343 HA 0.20 0.07 0.52 -0.75 4.35 4.38 2ri5A1 LEU 343 HB2 0.29 0.03 0.16 -0.04 1.64 2.09 2ri5A1 LEU 343 HB3 0.47 -0.02 0.01 -0.04 1.64 2.07 2ri5A1 LEU 343 HG 0.16 0.02 0.09 -0.04 1.64 1.87 2ri5A1 LEU 343 HD13 0.17 -0.00 0.02 -0.04 0.93 1.07 2ri5A1 LEU 343 HD23 0.14 0.01 -0.02 -0.04 0.89 0.98 2ri5A1 GLY 344 H 0.15 0.15 0.13 -0.55 8.43 8.31 2ri5A1 GLY 344 HA2 -0.20 -0.04 0.31 -0.51 4.01 3.57 2ri5A1 GLY 344 HA3 -0.81 0.09 0.41 -0.51 4.01 3.20 2ri5A1 PHE 345 H 0.07 0.34 -0.51 -0.55 8.34 7.68 2ri5A1 PHE 345 HA -0.37 0.13 0.91 -0.75 4.62 4.54 2ri5A1 PHE 345 HB2 -0.30 0.03 -0.11 -0.04 3.15 2.73 2ri5A1 PHE 345 HB3 -0.65 -0.03 -0.19 -0.04 3.06 2.14 2ri5A1 PHE 345 HD2 -0.75 0.06 -0.24 -0.04 7.28 6.31 2ri5A1 PHE 345 HE2 -0.59 0.11 -0.20 -0.04 7.38 6.66 2ri5A1 PHE 345 HZ -1.28 0.01 -0.24 -0.04 7.32 5.77 2ri5A1 GLN 346 H -0.14 0.23 0.09 -0.55 8.47 8.11 2ri5A1 GLN 346 HA 0.03 0.20 0.81 -0.75 4.36 4.63 2ri5A1 GLN 346 HB2 -0.05 -0.01 -0.05 -0.04 2.15 2.00 2ri5A1 GLN 346 HB3 -0.01 0.04 0.02 -0.04 2.02 2.04 2ri5A1 GLN 346 HG2 0.02 0.13 -0.18 -0.04 2.40 2.32 2ri5A1 GLN 346 HG3 -0.04 -0.08 -0.41 -0.04 2.39 1.83 2ri5A1 GLN 346 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.89 2ri5A1 GLN 346 HE22 0.03 0.03 -0.06 -0.04 7.69 7.65 2ri5A1 VAL 347 H 0.03 0.13 0.03 -0.55 8.24 7.88 2ri5A1 VAL 347 HA 0.02 0.04 0.16 -0.75 4.13 3.60 2ri5A1 VAL 347 HB 0.01 -0.01 0.05 -0.04 2.12 2.13 2ri5A1 VAL 347 HG13 0.01 0.01 -0.12 -0.04 0.97 0.83 2ri5A1 VAL 347 HG23 0.05 -0.01 -0.19 -0.04 0.95 0.76 2ri5A1 GLY 348 H 0.01 0.79 0.37 -0.55 8.43 9.06 2ri5A1 GLY 348 HA2 0.01 -0.04 0.42 -0.51 4.01 3.89 2ri5A1 GLY 348 HA3 -0.01 0.15 0.79 -0.51 4.01 4.43 2ri5A1 MET 349 H -0.04 0.45 -0.13 -0.55 8.47 8.19 2ri5A1 MET 349 HA -0.05 0.23 0.57 -0.75 4.52 4.51 2ri5A1 MET 349 HB2 -0.15 -0.05 0.09 -0.04 2.15 2.00 2ri5A1 MET 349 HB3 -0.17 -0.03 -0.05 -0.04 2.03 1.74 2ri5A1 MET 349 HG2 -0.12 0.00 -0.13 -0.04 2.63 2.34 2ri5A1 MET 349 HG3 -0.10 0.07 -0.02 -0.04 2.56 2.47 2ri5A1 MET 349 HE3 -0.15 -0.00 -0.05 -0.04 2.10 1.86 2ri5A1 LYS 350 H -0.05 0.43 0.42 -0.55 8.42 8.67 2ri5A1 LYS 350 HA 0.10 0.24 1.17 -0.75 4.32 5.07 2ri5A1 LYS 350 HB2 0.11 -0.07 0.06 -0.04 1.87 1.93 2ri5A1 LYS 350 HB3 0.47 0.01 0.18 -0.04 1.79 2.41 2ri5A1 LYS 350 HG2 0.21 0.03 -0.06 -0.04 1.46 1.61 2ri5A1 LYS 350 HG3 0.11 0.11 -0.16 -0.04 1.46 1.48 2ri5A1 LYS 350 HD2 0.32 -0.04 -0.09 -0.04 1.69 1.83 2ri5A1 LYS 350 HD3 0.64 -0.04 -0.05 -0.04 1.68 2.19 2ri5A1 LYS 350 HE2 -0.02 0.05 -0.05 -0.04 2.99 2.94 2ri5A1 LYS 350 HE3 -0.33 -0.04 -0.07 -0.04 2.99 2.51 2ri5A1 LEU 351 H 0.19 0.72 0.36 -0.55 8.37 9.09 2ri5A1 LEU 351 HA -0.11 -0.03 0.56 -0.75 4.35 4.01 2ri5A1 LEU 351 HB2 0.22 0.20 0.14 -0.04 1.64 2.15 2ri5A1 LEU 351 HB3 0.13 0.04 -0.24 -0.04 1.64 1.53 2ri5A1 LEU 351 HG 0.10 -0.02 -0.55 -0.04 1.64 1.12 2ri5A1 LEU 351 HD13 0.25 0.01 -0.22 -0.04 0.93 0.93 2ri5A1 LEU 351 HD23 0.05 0.02 -0.44 -0.04 0.89 0.47 2ri5A1 GLU 352 H 0.06 0.73 0.21 -0.55 8.60 9.05 2ri5A1 GLU 352 HA 0.29 0.31 0.92 -0.75 4.29 5.05 2ri5A1 GLU 352 HB2 0.15 0.06 -0.03 -0.04 2.09 2.23 2ri5A1 GLU 352 HB3 0.26 0.01 -0.09 -0.04 1.99 2.12 2ri5A1 GLU 352 HG2 0.58 0.10 -0.14 -0.04 2.34 2.84 2ri5A1 GLU 352 HG3 0.32 -0.09 -0.23 -0.04 2.34 2.29 2ri5A1 ALA 353 H 0.18 0.57 0.25 -0.55 8.40 8.86 2ri5A1 ALA 353 HA 0.09 0.27 1.01 -0.75 4.34 4.96 2ri5A1 ALA 353 HB3 0.02 0.01 -0.16 -0.04 1.41 1.24 2ri5A1 VAL 354 H 0.21 0.79 0.30 -0.55 8.24 8.99 2ri5A1 VAL 354 HA 0.14 0.11 0.39 -0.75 4.13 4.01 2ri5A1 VAL 354 HB 0.24 -0.07 0.14 -0.04 2.12 2.39 2ri5A1 VAL 354 HG13 0.08 0.02 -0.25 -0.04 0.97 0.78 2ri5A1 VAL 354 HG23 0.15 0.04 -0.02 -0.04 0.95 1.08 2ri5A1 ASP 355 H -0.04 0.66 0.11 -0.55 8.40 8.59 2ri5A1 ASP 355 HA -0.34 0.13 0.49 -0.75 4.63 4.15 2ri5A1 ASP 355 HB2 -0.61 0.13 0.10 -0.04 2.71 2.29 2ri5A1 ASP 355 HB3 -0.34 -0.20 0.23 -0.04 2.70 2.35 2ri5A1 ARG 356 H -0.01 0.56 -0.01 -0.55 8.46 8.45 2ri5A1 ARG 356 HA -0.19 0.05 0.23 -0.75 4.34 3.68 2ri5A1 ARG 356 HB2 -0.55 0.04 0.02 -0.04 1.90 1.37 2ri5A1 ARG 356 HB3 -0.45 0.00 -0.00 -0.04 1.80 1.31 2ri5A1 ARG 356 HG2 -0.91 -0.04 -0.02 -0.04 1.67 0.66 2ri5A1 ARG 356 HG3 -0.44 0.16 -0.01 -0.04 1.67 1.34 2ri5A1 ARG 356 HD2 -1.29 -0.06 0.01 -0.04 3.22 1.83 2ri5A1 ARG 356 HD3 -1.91 0.05 -0.00 -0.04 3.22 1.32 2ri5A1 MET 357 H -0.02 0.07 -0.24 -0.55 8.47 7.74 2ri5A1 MET 357 HA -0.03 0.13 0.62 -0.75 4.52 4.49 2ri5A1 MET 357 HB2 0.23 -0.08 0.06 -0.04 2.15 2.32 2ri5A1 MET 357 HB3 0.01 0.05 0.14 -0.04 2.03 2.19 2ri5A1 MET 357 HG2 0.09 -0.15 -0.07 -0.04 2.63 2.46 2ri5A1 MET 357 HG3 0.17 0.10 -0.17 -0.04 2.56 2.61 2ri5A1 MET 357 HE3 -0.08 -0.05 -0.13 -0.04 2.10 1.81 2ri5A1 ALA 358 H -0.13 0.15 -0.30 -0.55 8.40 7.57 2ri5A1 ALA 358 HA 0.02 0.22 0.86 -0.75 4.34 4.68 2ri5A1 ALA 358 HB3 -0.48 -0.03 0.11 -0.04 1.41 0.97 2ri5A1 PRO 359 HA -0.09 0.19 0.52 -0.51 4.44 4.56 2ri5A1 PRO 359 HB2 -0.10 0.02 0.08 -0.04 2.28 2.24 2ri5A1 PRO 359 HB3 -0.09 0.02 0.10 -0.04 2.02 2.01 2ri5A1 PRO 359 HG2 -0.22 -0.06 0.02 -0.04 2.03 1.72 2ri5A1 PRO 359 HG3 -0.18 0.03 0.06 -0.04 2.03 1.90 2ri5A1 PRO 359 HD2 -0.38 0.06 0.21 -0.04 3.68 3.52 2ri5A1 PRO 359 HD3 -0.18 0.12 0.14 -0.04 3.65 3.69 2ri5A1 SER 360 H -0.18 0.21 -0.49 -0.55 8.46 7.46 2ri5A1 SER 360 HA -0.11 -0.01 0.03 -0.75 4.49 3.65 2ri5A1 SER 360 HB2 -0.06 0.26 -0.11 -0.04 3.95 4.00 2ri5A1 SER 360 HB3 -0.03 -0.10 0.13 -0.04 3.93 3.89 2ri5A1 LEU 361 H -0.16 0.00 -0.13 -0.55 8.37 7.53 2ri5A1 LEU 361 HA -0.02 0.17 0.59 -0.75 4.35 4.34 2ri5A1 LEU 361 HB2 -0.15 -0.05 -0.07 -0.04 1.64 1.33 2ri5A1 LEU 361 HB3 -0.05 0.05 0.02 -0.04 1.64 1.63 2ri5A1 LEU 361 HG -0.11 -0.03 -0.13 -0.04 1.64 1.33 2ri5A1 LEU 361 HD13 -0.09 -0.00 -0.06 -0.04 0.93 0.74 2ri5A1 LEU 361 HD23 -0.03 0.03 -0.07 -0.04 0.89 0.77 2ri5A1 VAL 362 H 0.06 0.21 0.12 -0.55 8.24 8.09 2ri5A1 VAL 362 HA 0.13 0.18 0.55 -0.75 4.13 4.23 2ri5A1 VAL 362 HB 0.20 0.08 0.10 -0.04 2.12 2.47 2ri5A1 VAL 362 HG13 0.26 -0.02 -0.25 -0.04 0.97 0.92 2ri5A1 VAL 362 HG23 0.27 0.01 -0.10 -0.04 0.95 1.08 2ri5A1 CYS 363 H 0.19 0.68 0.28 -0.55 8.50 9.10 2ri5A1 CYS 363 HA -0.00 0.13 1.09 -0.75 4.58 5.04 2ri5A1 CYS 363 HB2 0.33 0.00 -0.10 -0.04 2.97 3.16 2ri5A1 CYS 363 HB3 -0.00 0.11 0.06 -0.04 2.97 3.09 2ri5A1 VAL 364 H -0.10 0.63 0.26 -0.55 8.24 8.47 2ri5A1 VAL 364 HA 0.21 0.04 0.59 -0.75 4.13 4.21 2ri5A1 VAL 364 HB -0.34 -0.01 0.18 -0.04 2.12 1.91 2ri5A1 VAL 364 HG13 -0.27 -0.02 -0.05 -0.04 0.97 0.58 2ri5A1 VAL 364 HG23 -1.27 0.02 0.01 -0.04 0.95 -0.32 2ri5A1 ALA 365 H 0.33 0.64 0.49 -0.55 8.40 9.31 2ri5A1 ALA 365 HA -0.02 -0.00 1.02 -0.75 4.34 4.59 2ri5A1 ALA 365 HB3 -0.27 -0.01 -0.16 -0.04 1.41 0.94 2ri5A1 SER 366 H -0.05 0.64 0.40 -0.55 8.46 8.89 2ri5A1 SER 366 HA 0.08 0.27 1.02 -0.75 4.49 5.10 2ri5A1 SER 366 HB2 0.15 -0.09 -0.09 -0.04 3.95 3.87 2ri5A1 SER 366 HB3 0.09 0.11 -0.02 -0.04 3.93 4.06 2ri5A1 VAL 367 H 0.01 0.64 0.21 -0.55 8.24 8.56 2ri5A1 VAL 367 HA 0.01 0.30 0.83 -0.75 4.13 4.51 2ri5A1 VAL 367 HB -0.02 0.03 0.12 -0.04 2.12 2.21 2ri5A1 VAL 367 HG13 0.04 -0.04 -0.32 -0.04 0.97 0.62 2ri5A1 VAL 367 HG23 -0.05 0.01 -0.18 -0.04 0.95 0.68 2ri5A1 THR 368 H -0.06 0.52 0.23 -0.55 8.28 8.42 2ri5A1 THR 368 HA -0.00 0.18 1.02 -0.75 4.39 4.84 2ri5A1 THR 368 HB -0.07 0.01 0.08 -0.04 4.32 4.31 2ri5A1 THR 368 HG23 -0.07 -0.00 -0.22 -0.04 1.22 0.89 2ri5A1 ASP 369 H -0.03 0.21 0.16 -0.55 8.40 8.19 2ri5A1 ASP 369 HA 0.17 0.16 0.52 -0.75 4.63 4.72 2ri5A1 ASP 369 HB2 0.11 0.08 -0.28 -0.04 2.71 2.58 2ri5A1 ASP 369 HB3 -0.17 -0.09 -0.09 -0.04 2.70 2.31 2ri5A1 VAL 370 H 0.34 0.33 0.10 -0.55 8.24 8.45 2ri5A1 VAL 370 HA 0.39 0.21 0.95 -0.75 4.13 4.93 2ri5A1 VAL 370 HB 0.17 -0.06 0.12 -0.04 2.12 2.32 2ri5A1 VAL 370 HG13 0.21 0.06 -0.08 -0.04 0.97 1.12 2ri5A1 VAL 370 HG23 0.16 -0.03 -0.30 -0.04 0.95 0.73 2ri5A1 VAL 371 H 0.53 0.51 0.08 -0.55 8.24 8.80 2ri5A1 VAL 371 HA 0.33 0.14 0.82 -0.75 4.13 4.67 2ri5A1 VAL 371 HB 0.08 -0.02 -0.05 -0.04 2.12 2.09 2ri5A1 VAL 371 HG13 0.22 0.00 -0.14 -0.04 0.97 1.01 2ri5A1 VAL 371 HG23 0.61 -0.01 -0.29 -0.04 0.95 1.22 2ri5A1 ASP 372 H 0.19 0.11 0.08 -0.55 8.40 8.24 2ri5A1 ASP 372 HA 0.12 0.08 0.22 -0.75 4.63 4.29 2ri5A1 ASP 372 HB2 0.08 0.03 0.22 -0.04 2.71 2.99 2ri5A1 ASP 372 HB3 0.09 -0.12 0.12 -0.04 2.70 2.75 2ri5A1 SER 373 H 0.09 0.04 0.19 -0.55 8.46 8.23 2ri5A1 SER 373 HA 0.13 0.23 0.71 -0.75 4.49 4.81 2ri5A1 SER 373 HB2 0.09 -0.05 0.18 -0.04 3.95 4.13 2ri5A1 SER 373 HB3 0.09 0.06 0.04 -0.04 3.93 4.07 2ri5A1 ARG 374 H 0.17 0.66 -0.19 -0.55 8.46 8.55 2ri5A1 ARG 374 HA -0.00 0.18 1.15 -0.75 4.34 4.92 2ri5A1 ARG 374 HB2 0.16 0.02 0.06 -0.04 1.90 2.09 2ri5A1 ARG 374 HB3 0.15 0.06 0.19 -0.04 1.80 2.17 2ri5A1 ARG 374 HG2 -0.02 0.01 -0.11 -0.04 1.67 1.51 2ri5A1 ARG 374 HG3 0.03 -0.15 -0.29 -0.04 1.67 1.22 2ri5A1 ARG 374 HD2 0.01 -0.01 -0.10 -0.04 3.22 3.08 2ri5A1 ARG 374 HD3 -0.02 -0.04 -0.07 -0.04 3.22 3.05 2ri5A1 PHE 375 H -0.43 0.63 0.37 -0.55 8.34 8.36 2ri5A1 PHE 375 HA 0.19 0.12 0.80 -0.75 4.62 4.97 2ri5A1 PHE 375 HB2 -0.06 0.01 0.03 -0.04 3.15 3.09 2ri5A1 PHE 375 HB3 0.02 0.08 -0.12 -0.04 3.06 3.00 2ri5A1 PHE 375 HD2 -0.23 0.05 -0.40 -0.04 7.28 6.66 2ri5A1 PHE 375 HE2 -0.61 -0.01 -0.27 -0.04 7.38 6.45 2ri5A1 PHE 375 HZ -0.80 0.07 -0.40 -0.04 7.32 6.15 2ri5A1 LEU 376 H -0.26 0.58 0.26 -0.55 8.37 8.41 2ri5A1 LEU 376 HA -0.90 0.17 0.80 -0.75 4.35 3.66 2ri5A1 LEU 376 HB2 -2.07 0.05 -0.10 -0.04 1.64 -0.51 2ri5A1 LEU 376 HB3 -0.54 -0.16 0.09 -0.04 1.64 0.98 2ri5A1 LEU 376 HG -0.37 -0.03 -0.44 -0.04 1.64 0.76 2ri5A1 LEU 376 HD13 -0.87 0.04 -0.31 -0.04 0.93 -0.25 2ri5A1 LEU 376 HD23 -0.24 0.02 -0.24 -0.04 0.89 0.39 2ri5A1 VAL 377 H -0.48 0.69 0.30 -0.55 8.24 8.21 2ri5A1 VAL 377 HA -0.19 0.20 0.75 -0.75 4.13 4.14 2ri5A1 VAL 377 HB -1.06 0.04 0.15 -0.04 2.12 1.21 2ri5A1 VAL 377 HG13 -0.61 -0.01 -0.24 -0.04 0.97 0.07 2ri5A1 VAL 377 HG23 -0.12 0.00 -0.15 -0.04 0.95 0.65 2ri5A1 HIS 378 H -0.16 0.77 0.36 -0.55 8.41 8.84 2ri5A1 HIS 378 HA -0.20 0.15 0.93 -0.75 4.63 4.75 2ri5A1 HIS 378 HB2 -0.10 -0.00 -0.18 -0.04 3.26 2.94 2ri5A1 HIS 378 HB3 -0.07 0.01 -0.05 -0.04 3.20 3.06 2ri5A1 HIS 378 HD2 0.06 -0.03 -0.27 -0.04 6.97 6.68 2ri5A1 HIS 378 HE1 0.16 0.11 -0.24 -0.04 7.75 7.74 2ri5A1 PHE 379 H -0.21 0.19 -0.01 -0.55 8.34 7.75 2ri5A1 PHE 379 HA -0.11 0.20 0.80 -0.75 4.62 4.76 2ri5A1 PHE 379 HB2 -0.17 -0.04 0.08 -0.04 3.15 2.97 2ri5A1 PHE 379 HB3 -0.33 0.07 -0.03 -0.04 3.06 2.73 2ri5A1 PHE 379 HD2 -0.12 0.02 -0.21 -0.04 7.28 6.93 2ri5A1 PHE 379 HE2 0.02 0.21 -0.15 -0.04 7.38 7.41 2ri5A1 PHE 379 HZ 0.17 0.20 -0.34 -0.04 7.32 7.31 2ri5A1 ASP 380 H 0.06 0.31 0.19 -0.55 8.40 8.42 2ri5A1 ASP 380 HA 0.12 -0.05 0.28 -0.75 4.63 4.23 2ri5A1 ASP 380 HB2 0.12 0.07 0.07 -0.04 2.71 2.93 2ri5A1 ASP 380 HB3 0.18 0.01 -0.06 -0.04 2.70 2.79 2ri5A1 ASN 381 H 0.20 0.11 0.14 -0.55 8.53 8.44 2ri5A1 ASN 381 HA 0.07 0.02 0.36 -0.75 4.76 4.45 2ri5A1 ASN 381 HB2 0.00 -0.07 -0.18 -0.04 2.88 2.60 2ri5A1 ASN 381 HB3 -0.28 0.01 0.18 -0.04 2.79 2.67 2ri5A1 ASN 381 HD21 -0.11 -0.10 -0.01 -0.04 7.03 6.77 2ri5A1 ASN 381 HD22 -0.22 0.61 0.07 -0.04 7.74 8.16 2ri5A1 TRP 382 H 0.26 0.48 -0.22 -0.55 7.97 7.94 2ri5A1 TRP 382 HA 0.05 0.13 0.82 -0.75 4.62 4.86 2ri5A1 TRP 382 HB2 0.04 0.12 0.03 -0.04 3.23 3.38 2ri5A1 TRP 382 HB3 0.03 -0.16 0.17 -0.04 3.23 3.23 2ri5A1 TRP 382 HD1 -0.02 0.06 -0.62 -0.04 7.22 6.60 2ri5A1 TRP 382 HE1 -0.10 0.09 -0.08 -0.04 10.20 10.08 2ri5A1 TRP 382 HE3 -0.09 -0.04 0.05 -0.04 7.59 7.47 2ri5A1 TRP 382 HZ2 -0.12 0.16 -0.09 -0.04 7.44 7.35 2ri5A1 TRP 382 HZ3 -0.10 -0.02 0.02 -0.04 7.13 6.99 2ri5A1 TRP 382 HH2 -0.10 -0.02 -0.01 -0.04 7.19 7.02 2ri5A1 ASP 383 H 0.48 0.10 0.14 -0.55 8.40 8.57 2ri5A1 ASP 383 HA 0.26 0.18 0.64 -0.75 4.63 4.96 2ri5A1 ASP 383 HB2 0.26 0.02 0.10 -0.04 2.71 3.06 2ri5A1 ASP 383 HB3 0.15 -0.08 0.14 -0.04 2.70 2.87 2ri5A1 ASP 384 H 0.21 0.20 0.17 -0.55 8.40 8.44 2ri5A1 ASP 384 HA 0.34 0.11 0.50 -0.75 4.63 4.82 2ri5A1 ASP 384 HB2 0.12 -0.01 0.10 -0.04 2.71 2.88 2ri5A1 ASP 384 HB3 0.14 0.05 0.10 -0.04 2.70 2.95 2ri5A1 THR 385 H 0.06 -0.03 -0.38 -0.55 8.28 7.38 2ri5A1 THR 385 HA -0.22 0.27 0.52 -0.75 4.39 4.21 2ri5A1 THR 385 HB -0.35 0.09 0.15 -0.04 4.32 4.17 2ri5A1 THR 385 HG23 -0.27 0.01 0.07 -0.04 1.22 1.00 2ri5A1 TYR 386 H 0.20 0.17 -0.54 -0.55 8.29 7.56 2ri5A1 TYR 386 HA 0.01 0.27 0.89 -0.75 4.56 4.98 2ri5A1 TYR 386 HB2 0.01 0.04 0.02 -0.04 3.06 3.08 2ri5A1 TYR 386 HB3 -0.20 -0.10 0.10 -0.04 2.98 2.75 2ri5A1 TYR 386 HD2 -0.06 -0.03 -0.15 -0.04 7.15 6.87 2ri5A1 TYR 386 HE2 -0.02 0.02 -0.05 -0.04 6.85 6.75 2ri5A1 ASP 387 H 0.16 0.35 -0.18 -0.55 8.40 8.18 2ri5A1 ASP 387 HA 0.10 0.10 0.51 -0.75 4.63 4.58 2ri5A1 ASP 387 HB2 0.04 0.06 0.07 -0.04 2.71 2.84 2ri5A1 ASP 387 HB3 -0.09 0.03 0.05 -0.04 2.70 2.65 2ri5A1 TYR 388 H -0.34 0.40 0.29 -0.55 8.29 8.09 2ri5A1 TYR 388 HA 0.01 0.11 0.54 -0.75 4.56 4.46 2ri5A1 TYR 388 HB2 0.00 0.04 0.08 -0.04 3.06 3.15 2ri5A1 TYR 388 HB3 0.01 0.15 -0.08 -0.04 2.98 3.02 2ri5A1 TYR 388 HD2 0.05 0.19 -0.26 -0.04 7.15 7.08 2ri5A1 TYR 388 HE2 0.18 -0.03 -0.02 -0.04 6.85 6.94 2ri5A1 TRP 389 H 0.35 0.15 0.15 -0.55 7.97 8.08 2ri5A1 TRP 389 HA -0.08 0.13 0.70 -0.75 4.62 4.61 2ri5A1 TRP 389 HB2 -0.03 -0.02 0.10 -0.04 3.23 3.24 2ri5A1 TRP 389 HB3 -0.07 0.03 -0.02 -0.04 3.23 3.14 2ri5A1 TRP 389 HD1 -0.02 -0.01 -0.02 -0.04 7.22 7.13 2ri5A1 TRP 389 HE1 -0.04 0.45 0.03 -0.04 10.20 10.60 2ri5A1 TRP 389 HE3 -0.03 0.04 -0.26 -0.04 7.59 7.30 2ri5A1 TRP 389 HZ2 0.13 0.10 -0.10 -0.04 7.44 7.53 2ri5A1 TRP 389 HZ3 0.15 -0.05 -0.36 -0.04 7.13 6.82 2ri5A1 TRP 389 HH2 0.29 -0.03 -0.26 -0.04 7.19 7.15 2ri5A1 CYS 390 H -0.22 0.64 0.45 -0.55 8.50 8.82 2ri5A1 CYS 390 HA -0.09 0.09 0.78 -0.75 4.58 4.61 2ri5A1 CYS 390 HB2 -0.06 0.06 -0.39 -0.04 2.97 2.54 2ri5A1 CYS 390 HB3 -0.80 0.03 -0.06 -0.04 2.97 2.10 2ri5A1 ASP 391 H -0.28 0.19 0.25 -0.55 8.40 8.02 2ri5A1 ASP 391 HA -0.43 0.26 0.83 -0.75 4.63 4.54 2ri5A1 ASP 391 HB2 -0.06 0.21 0.22 -0.04 2.71 3.04 2ri5A1 ASP 391 HB3 -0.10 -0.02 -0.09 -0.04 2.70 2.45 2ri5A1 PRO 392 HA -0.14 0.08 0.39 -0.51 4.44 4.26 2ri5A1 PRO 392 HB2 0.07 0.00 0.09 -0.04 2.28 2.40 2ri5A1 PRO 392 HB3 0.12 0.34 0.20 -0.04 2.02 2.64 2ri5A1 PRO 392 HG2 0.09 -0.01 0.14 -0.04 2.03 2.21 2ri5A1 PRO 392 HG3 -0.17 0.04 0.04 -0.04 2.03 1.90 2ri5A1 PRO 392 HD2 0.02 0.10 0.27 -0.04 3.68 4.03 2ri5A1 PRO 392 HD3 0.05 0.24 0.31 -0.04 3.65 4.22 2ri5A1 SER 393 H -0.01 0.02 -0.37 -0.55 8.46 7.55 2ri5A1 SER 393 HA 0.03 0.39 0.42 -0.75 4.49 4.58 2ri5A1 SER 393 HB2 0.02 -0.02 0.18 -0.04 3.95 4.09 2ri5A1 SER 393 HB3 0.03 0.03 0.06 -0.04 3.93 4.01 2ri5A1 SER 394 H -0.03 0.42 -0.21 -0.55 8.46 8.10 2ri5A1 SER 394 HA -0.10 0.08 0.46 -0.75 4.49 4.17 2ri5A1 SER 394 HB2 -0.01 -0.10 0.20 -0.04 3.95 4.00 2ri5A1 SER 394 HB3 0.02 0.12 0.13 -0.04 3.93 4.15 2ri5A1 PRO 395 HA -0.31 0.21 0.61 -0.51 4.44 4.43 2ri5A1 PRO 395 HB2 -0.54 -0.01 0.10 -0.04 2.28 1.79 2ri5A1 PRO 395 HB3 -0.97 0.12 0.11 -0.04 2.02 1.24 2ri5A1 PRO 395 HG2 -1.29 0.00 -0.01 -0.04 2.03 0.69 2ri5A1 PRO 395 HG3 -0.86 0.01 0.07 -0.04 2.03 1.21 2ri5A1 PRO 395 HD2 -0.28 0.01 0.26 -0.04 3.68 3.63 2ri5A1 PRO 395 HD3 -0.39 0.24 0.25 -0.04 3.65 3.71 2ri5A1 TYR 396 H -0.18 0.02 -0.37 -0.55 8.29 7.21 2ri5A1 TYR 396 HA -0.13 0.20 0.73 -0.75 4.56 4.61 2ri5A1 TYR 396 HB2 0.02 0.02 0.01 -0.04 3.06 3.06 2ri5A1 TYR 396 HB3 0.02 -0.02 0.17 -0.04 2.98 3.12 2ri5A1 TYR 396 HD2 -0.08 0.01 -0.00 -0.04 7.15 7.03 2ri5A1 TYR 396 HE2 -0.06 -0.00 -0.03 -0.04 6.85 6.71 2ri5A1 ILE 397 H -0.23 0.31 -0.28 -0.55 8.25 7.50 2ri5A1 ILE 397 HA -0.09 0.22 1.12 -0.75 4.18 4.68 2ri5A1 ILE 397 HB 0.34 0.03 -0.06 -0.04 1.89 2.16 2ri5A1 ILE 397 HG12 0.07 -0.09 -0.03 -0.04 1.49 1.39 2ri5A1 ILE 397 HG13 0.26 0.07 -0.13 -0.04 1.21 1.37 2ri5A1 ILE 397 HG23 0.19 -0.04 -0.22 -0.04 0.93 0.81 2ri5A1 ILE 397 HD13 0.22 -0.00 -0.14 -0.04 0.88 0.91 2ri5A1 HIS 398 H -0.11 0.77 0.35 -0.55 8.41 8.88 2ri5A1 HIS 398 HA -0.72 0.20 0.75 -0.75 4.63 4.12 2ri5A1 HIS 398 HB2 -0.52 -0.11 -0.06 -0.04 3.26 2.53 2ri5A1 HIS 398 HB3 -0.94 -0.00 0.06 -0.04 3.20 2.27 2ri5A1 HIS 398 HD2 -0.83 -0.08 -0.33 -0.04 6.97 5.68 2ri5A1 HIS 398 HE1 -0.41 -0.01 -0.05 -0.04 7.75 7.24 2ri5A1 PRO 399 HA -0.49 0.12 0.52 -0.51 4.44 4.07 2ri5A1 PRO 399 HB2 -0.18 0.04 -0.04 -0.04 2.28 2.07 2ri5A1 PRO 399 HB3 -0.26 0.04 0.11 -0.04 2.02 1.87 2ri5A1 PRO 399 HG2 -0.24 0.05 0.09 -0.04 2.03 1.89 2ri5A1 PRO 399 HG3 -1.06 0.12 0.08 -0.04 2.03 1.12 2ri5A1 PRO 399 HD2 -0.20 0.05 0.18 -0.04 3.68 3.66 2ri5A1 PRO 399 HD3 -0.76 0.21 0.22 -0.04 3.65 3.28 2ri5A1 VAL 400 H -0.30 0.21 0.20 -0.55 8.24 7.80 2ri5A1 VAL 400 HA -0.57 0.00 0.38 -0.75 4.13 3.19 2ri5A1 VAL 400 HB -0.52 0.02 0.14 -0.04 2.12 1.72 2ri5A1 VAL 400 HG13 -1.44 -0.00 -0.16 -0.04 0.97 -0.68 2ri5A1 VAL 400 HG23 -1.28 0.04 -0.05 -0.04 0.95 -0.39 2ri5A1 GLY 401 H -0.03 0.11 0.14 -0.55 8.43 8.10 2ri5A1 GLY 401 HA2 0.16 -0.00 0.33 -0.51 4.01 3.98 2ri5A1 GLY 401 HA3 -0.01 0.21 0.62 -0.51 4.01 4.32 2ri5A1 TRP 402 H 0.22 0.49 -0.21 -0.55 7.97 7.92 2ri5A1 TRP 402 HA -0.07 0.08 0.33 -0.75 4.62 4.20 2ri5A1 TRP 402 HB2 -0.11 0.15 0.04 -0.04 3.23 3.27 2ri5A1 TRP 402 HB3 -0.04 -0.07 0.03 -0.04 3.23 3.11 2ri5A1 TRP 402 HD1 -0.13 0.01 0.00 -0.04 7.22 7.05 2ri5A1 TRP 402 HE1 -0.20 0.03 -0.03 -0.04 10.20 9.95 2ri5A1 TRP 402 HE3 -0.09 -0.09 -0.24 -0.04 7.59 7.12 2ri5A1 TRP 402 HZ2 -0.28 0.02 -0.06 -0.04 7.44 7.08 2ri5A1 TRP 402 HZ3 -0.07 0.00 -0.13 -0.04 7.13 6.89 2ri5A1 TRP 402 HH2 -0.13 0.02 -0.08 -0.04 7.19 6.95 2ri5A1 CYS 403 H 0.40 0.09 -0.14 -0.55 8.50 8.30 2ri5A1 CYS 403 HA -0.14 0.07 0.27 -0.75 4.58 4.03 2ri5A1 CYS 403 HB2 0.23 -0.13 -0.06 -0.04 2.97 2.97 2ri5A1 CYS 403 HB3 0.09 0.37 -0.26 -0.04 2.97 3.13 2ri5A1 GLN 404 H 0.09 0.02 -0.36 -0.55 8.47 7.67 2ri5A1 GLN 404 HA -0.01 0.10 0.40 -0.75 4.36 4.09 2ri5A1 GLN 404 HB2 0.10 -0.04 0.08 -0.04 2.15 2.25 2ri5A1 GLN 404 HB3 0.05 0.11 0.11 -0.04 2.02 2.25 2ri5A1 GLN 404 HG2 0.00 0.03 -0.18 -0.04 2.40 2.20 2ri5A1 GLN 404 HG3 0.02 0.01 0.04 -0.04 2.39 2.41 2ri5A1 GLN 404 HE21 0.04 -0.03 -0.00 -0.04 6.97 6.94 2ri5A1 GLN 404 HE22 0.02 0.01 -0.04 -0.04 7.69 7.64 2ri5A1 LYS 405 H -0.10 0.42 -0.08 -0.55 8.42 8.10 2ri5A1 LYS 405 HA -0.10 0.02 0.43 -0.75 4.32 3.92 2ri5A1 LYS 405 HB2 -0.22 0.08 0.12 -0.04 1.87 1.81 2ri5A1 LYS 405 HB3 -0.15 -0.04 0.02 -0.04 1.79 1.59 2ri5A1 LYS 405 HG2 -0.05 -0.05 0.03 -0.04 1.46 1.35 2ri5A1 LYS 405 HG3 -0.04 0.11 0.06 -0.04 1.46 1.55 2ri5A1 LYS 405 HD2 -0.02 0.00 -0.10 -0.04 1.69 1.54 2ri5A1 LYS 405 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.57 2ri5A1 LYS 405 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.90 2ri5A1 LYS 405 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2ri5A1 GLN 406 H -0.48 0.48 -0.21 -0.55 8.47 7.72 2ri5A1 GLN 406 HA -0.36 0.08 0.62 -0.75 4.36 3.94 2ri5A1 GLN 406 HB2 -1.00 -0.00 0.01 -0.04 2.15 1.12 2ri5A1 GLN 406 HB3 -0.67 -0.04 0.05 -0.04 2.02 1.32 2ri5A1 GLN 406 HG2 -1.55 0.09 -0.02 -0.04 2.40 0.87 2ri5A1 GLN 406 HG3 -3.03 -0.06 -0.08 -0.04 2.39 -0.82 2ri5A1 GLN 406 HE21 -0.17 -0.02 -0.05 -0.04 6.97 6.69 2ri5A1 GLN 406 HE22 -0.47 -0.02 -0.08 -0.04 7.69 7.07 2ri5A1 GLY 407 H -0.19 0.28 -0.40 -0.55 8.43 7.58 2ri5A1 GLY 407 HA2 -0.09 0.02 0.30 -0.51 4.01 3.73 2ri5A1 GLY 407 HA3 -0.11 0.01 0.49 -0.51 4.01 3.89 2ri5A1 LYS 408 H -0.16 0.62 0.07 -0.55 8.42 8.40 2ri5A1 LYS 408 HA -0.05 0.20 0.89 -0.75 4.32 4.60 2ri5A1 LYS 408 HB2 -0.09 -0.12 0.01 -0.04 1.87 1.64 2ri5A1 LYS 408 HB3 0.03 0.07 0.02 -0.04 1.79 1.87 2ri5A1 LYS 408 HG2 -0.05 0.03 -0.07 -0.04 1.46 1.32 2ri5A1 LYS 408 HG3 -0.22 0.06 -0.30 -0.04 1.46 0.96 2ri5A1 LYS 408 HD2 0.02 -0.00 -0.06 -0.04 1.69 1.61 2ri5A1 LYS 408 HD3 -0.07 -0.06 -0.08 -0.04 1.68 1.43 2ri5A1 LYS 408 HE2 0.29 -0.03 -0.04 -0.04 2.99 3.18 2ri5A1 LYS 408 HE3 0.17 0.04 -0.01 -0.04 2.99 3.14 2ri5A1 PRO 409 HA 0.01 0.07 0.47 -0.51 4.44 4.48 2ri5A1 PRO 409 HB2 -0.00 0.03 -0.03 -0.04 2.28 2.23 2ri5A1 PRO 409 HB3 -0.00 0.03 0.07 -0.04 2.02 2.07 2ri5A1 PRO 409 HG2 0.01 -0.02 0.05 -0.04 2.03 2.03 2ri5A1 PRO 409 HG3 -0.00 0.03 0.06 -0.04 2.03 2.07 2ri5A1 PRO 409 HD2 0.01 0.07 0.22 -0.04 3.68 3.94 2ri5A1 PRO 409 HD3 -0.01 0.17 0.17 -0.04 3.65 3.94 2ri5A1 LEU 410 H 0.01 0.21 0.14 -0.55 8.37 8.18 2ri5A1 LEU 410 HA 0.04 0.28 0.88 -0.75 4.35 4.79 2ri5A1 LEU 410 HB2 0.12 -0.05 -0.16 -0.04 1.64 1.51 2ri5A1 LEU 410 HB3 0.02 0.01 0.03 -0.04 1.64 1.66 2ri5A1 LEU 410 HG -0.24 0.06 -0.50 -0.04 1.64 0.92 2ri5A1 LEU 410 HD13 0.15 0.02 -0.27 -0.04 0.93 0.79 2ri5A1 LEU 410 HD23 0.05 -0.03 -0.13 -0.04 0.89 0.74 2ri5A1 THR 411 H -0.05 0.62 0.30 -0.55 8.28 8.61 2ri5A1 THR 411 HA -0.08 0.14 0.70 -0.75 4.39 4.40 2ri5A1 THR 411 HB -0.11 -0.07 0.10 -0.04 4.32 4.20 2ri5A1 THR 411 HG23 0.01 0.04 -0.11 -0.04 1.22 1.12 2ri5A1 PRO 412 HA -0.94 0.03 0.58 -0.51 4.44 3.61 2ri5A1 PRO 412 HB2 -0.52 0.07 0.09 -0.04 2.28 1.87 2ri5A1 PRO 412 HB3 -0.92 -0.01 0.10 -0.04 2.02 1.15 2ri5A1 PRO 412 HG2 -0.08 0.04 -0.00 -0.04 2.03 1.94 2ri5A1 PRO 412 HG3 -0.08 0.07 0.08 -0.04 2.03 2.06 2ri5A1 PRO 412 HD2 -0.07 -0.00 0.25 -0.04 3.68 3.82 2ri5A1 PRO 412 HD3 -0.18 0.34 0.26 -0.04 3.65 4.03 2ri5A1 PRO 413 HA 0.10 0.19 0.42 -0.51 4.44 4.64 2ri5A1 PRO 413 HB2 -0.06 -0.01 -0.06 -0.04 2.28 2.11 2ri5A1 PRO 413 HB3 -0.03 0.05 -0.08 -0.04 2.02 1.91 2ri5A1 PRO 413 HG2 -0.77 0.02 0.03 -0.04 2.03 1.27 2ri5A1 PRO 413 HG3 -0.31 0.03 0.06 -0.04 2.03 1.76 2ri5A1 PRO 413 HD2 -0.90 0.09 0.17 -0.04 3.68 2.99 2ri5A1 PRO 413 HD3 -1.17 0.06 0.22 -0.04 3.65 2.73 2ri5A1 GLN 414 H -0.87 0.30 0.13 -0.55 8.47 7.49 2ri5A1 GLN 414 HA -0.66 0.01 0.41 -0.75 4.36 3.37 2ri5A1 GLN 414 HB2 -2.97 0.01 0.05 -0.04 2.15 -0.80 2ri5A1 GLN 414 HB3 -0.88 0.12 0.05 -0.04 2.02 1.26 2ri5A1 GLN 414 HG2 -0.63 -0.05 0.03 -0.04 2.40 1.71 2ri5A1 GLN 414 HG3 -1.85 -0.02 0.06 -0.04 2.39 0.53 2ri5A1 GLN 414 HE21 -0.09 -0.03 0.02 -0.04 6.97 6.83 2ri5A1 GLN 414 HE22 -0.18 -0.02 0.02 -0.04 7.69 7.46 2ri5A1 ASP 415 H -0.22 0.09 0.17 -0.55 8.40 7.89 2ri5A1 ASP 415 HA -0.10 -0.03 0.30 -0.75 4.63 4.05 2ri5A1 ASP 415 HB2 -0.15 0.25 -0.21 -0.04 2.71 2.55 2ri5A1 ASP 415 HB3 -0.09 -0.05 0.15 -0.04 2.70 2.67 2ri5A1 TYR 416 H 0.02 0.41 -0.52 -0.55 8.29 7.65 2ri5A1 TYR 416 HA -0.04 0.05 0.32 -0.75 4.56 4.13 2ri5A1 TYR 416 HB2 -0.13 0.04 -0.04 -0.04 3.06 2.89 2ri5A1 TYR 416 HB3 -0.07 -0.06 -0.07 -0.04 2.98 2.74 2ri5A1 TYR 416 HD2 0.04 0.00 -0.18 -0.04 7.15 6.97 2ri5A1 TYR 416 HE2 0.14 -0.00 -0.04 -0.04 6.85 6.91 2ri5A1 PRO 417 HA -0.13 -0.04 0.40 -0.51 4.44 4.16 2ri5A1 PRO 417 HB2 -0.35 0.01 0.05 -0.04 2.28 1.94 2ri5A1 PRO 417 HB3 -0.17 -0.02 0.05 -0.04 2.02 1.84 2ri5A1 PRO 417 HG2 -0.26 0.01 0.07 -0.04 2.03 1.80 2ri5A1 PRO 417 HG3 -0.18 0.07 0.09 -0.04 2.03 1.96 2ri5A1 PRO 417 HD2 -1.25 0.06 0.15 -0.04 3.68 2.59 2ri5A1 PRO 417 HD3 -0.31 0.18 0.22 -0.04 3.65 3.71 2ri5A1 ASP 418 H -0.05 0.07 0.13 -0.55 8.40 8.01 2ri5A1 ASP 418 HA 0.00 -0.03 0.35 -0.75 4.63 4.20 2ri5A1 ASP 418 HB2 -0.02 -0.03 -0.03 -0.04 2.71 2.58 2ri5A1 ASP 418 HB3 -0.01 0.19 -0.20 -0.04 2.70 2.64 2ri5A1 PRO 419 HA 0.16 0.11 0.25 -0.51 4.44 4.46 2ri5A1 PRO 419 HB2 0.03 -0.07 0.08 -0.04 2.28 2.28 2ri5A1 PRO 419 HB3 0.03 0.06 0.05 -0.04 2.02 2.12 2ri5A1 PRO 419 HG2 0.01 -0.02 0.06 -0.04 2.03 2.04 2ri5A1 PRO 419 HG3 0.03 0.26 0.02 -0.04 2.03 2.31 2ri5A1 PRO 419 HD2 0.02 0.01 0.14 -0.04 3.68 3.81 2ri5A1 PRO 419 HD3 0.00 0.03 0.17 -0.04 3.65 3.82 2ri5A1 ASP 420 H 0.04 0.07 -0.13 -0.55 8.40 7.82 2ri5A1 ASP 420 HA 0.04 0.08 0.34 -0.75 4.63 4.33 2ri5A1 ASP 420 HB2 0.03 -0.01 -0.02 -0.04 2.71 2.67 2ri5A1 ASP 420 HB3 0.02 0.02 0.08 -0.04 2.70 2.79 2ri5A1 ASN 421 H 0.08 0.39 -0.54 -0.55 8.53 7.92 2ri5A1 ASN 421 HA 0.05 0.23 1.00 -0.75 4.76 5.29 2ri5A1 ASN 421 HB2 0.04 0.04 0.09 -0.04 2.88 3.01 2ri5A1 ASN 421 HB3 0.03 -0.04 0.19 -0.04 2.79 2.93 2ri5A1 ASN 421 HD21 0.02 -0.05 -0.04 -0.04 7.03 6.92 2ri5A1 ASN 421 HD22 0.02 0.02 0.03 -0.04 7.74 7.77 2ri5A1 PHE 422 H 0.17 0.36 -0.15 -0.55 8.34 8.16 2ri5A1 PHE 422 HA 0.00 0.10 0.36 -0.75 4.62 4.32 2ri5A1 PHE 422 HB2 -0.21 0.09 0.11 -0.04 3.15 3.11 2ri5A1 PHE 422 HB3 -0.19 0.03 0.10 -0.04 3.06 2.96 2ri5A1 PHE 422 HD2 -0.90 0.03 -0.11 -0.04 7.28 6.26 2ri5A1 PHE 422 HE2 -1.80 -0.04 -0.06 -0.04 7.38 5.44 2ri5A1 PHE 422 HZ -1.78 -0.04 0.01 -0.04 7.32 5.48 2ri5A1 TRP 424 HA -0.15 -0.01 0.27 -0.75 4.62 3.98 2ri5A1 TRP 424 HB2 0.03 0.02 0.12 -0.04 3.23 3.36 2ri5A1 TRP 424 HB3 0.05 0.03 -0.10 -0.04 3.23 3.18 2ri5A1 TRP 424 HD1 0.17 0.03 0.02 -0.04 7.22 7.39 2ri5A1 TRP 424 HE1 0.16 -0.02 -0.03 -0.04 10.20 10.27 2ri5A1 TRP 424 HE3 0.25 -0.08 0.02 -0.04 7.59 7.74 2ri5A1 TRP 424 HZ2 0.10 0.09 -0.10 -0.04 7.44 7.49 2ri5A1 TRP 424 HZ3 0.35 0.06 -0.04 -0.04 7.13 7.46 2ri5A1 TRP 424 HH2 0.17 0.14 0.12 -0.04 7.19 7.57 2ri5A1 GLU 425 H 0.14 0.23 0.12 -0.55 8.60 8.55 2ri5A1 GLU 425 HA 0.11 0.08 0.40 -0.75 4.29 4.12 2ri5A1 GLU 425 HB2 0.05 -0.00 0.13 -0.04 2.09 2.23 2ri5A1 GLU 425 HB3 0.04 0.03 -0.02 -0.04 1.99 2.00 2ri5A1 GLU 425 HG2 0.08 -0.01 0.07 -0.04 2.34 2.44 2ri5A1 GLU 425 HG3 0.04 0.03 0.03 -0.04 2.34 2.40 2ri5A1 LYS 426 H -0.01 0.16 -0.14 -0.55 8.42 7.88 2ri5A1 LYS 426 HA 0.03 0.09 0.46 -0.75 4.32 4.16 2ri5A1 LYS 426 HB2 -0.01 0.02 0.09 -0.04 1.87 1.93 2ri5A1 LYS 426 HB3 -0.07 -0.00 0.10 -0.04 1.79 1.78 2ri5A1 LYS 426 HG2 0.05 0.07 -0.01 -0.04 1.46 1.52 2ri5A1 LYS 426 HG3 0.10 0.01 -0.23 -0.04 1.46 1.30 2ri5A1 LYS 426 HD2 0.04 -0.04 0.07 -0.04 1.69 1.72 2ri5A1 LYS 426 HD3 0.02 -0.00 0.02 -0.04 1.68 1.68 2ri5A1 LYS 426 HE2 0.03 0.03 -0.01 -0.04 2.99 2.99 2ri5A1 LYS 426 HE3 0.06 0.01 -0.03 -0.04 2.99 2.98 2ri5A1 TYR 427 H -0.04 0.11 -0.17 -0.55 8.29 7.65 2ri5A1 TYR 427 HA 0.04 0.05 0.39 -0.75 4.56 4.29 2ri5A1 TYR 427 HB2 -0.56 -0.01 0.14 -0.04 3.06 2.59 2ri5A1 TYR 427 HB3 -0.02 0.10 0.12 -0.04 2.98 3.15 2ri5A1 TYR 427 HD2 0.16 -0.00 0.00 -0.04 7.15 7.26 2ri5A1 TYR 427 HE2 0.15 0.02 -0.04 -0.04 6.85 6.94 2ri5A1 LEU 428 H 0.23 0.67 -0.14 -0.55 8.37 8.58 2ri5A1 LEU 428 HA 0.01 -0.00 0.42 -0.75 4.35 4.03 2ri5A1 LEU 428 HB2 0.10 0.03 0.10 -0.04 1.64 1.83 2ri5A1 LEU 428 HB3 0.05 0.17 0.06 -0.04 1.64 1.88 2ri5A1 LEU 428 HG 0.50 0.14 0.02 -0.04 1.64 2.26 2ri5A1 LEU 428 HD13 -0.00 -0.05 -0.08 -0.04 0.93 0.76 2ri5A1 LEU 428 HD23 0.17 0.01 -0.17 -0.04 0.89 0.85 2ri5A1 GLU 429 H 0.05 0.39 -0.26 -0.55 8.60 8.23 2ri5A1 GLU 429 HA 0.01 0.03 0.48 -0.75 4.29 4.06 2ri5A1 GLU 429 HB2 0.03 0.14 0.20 -0.04 2.09 2.42 2ri5A1 GLU 429 HB3 0.03 0.05 0.13 -0.04 1.99 2.16 2ri5A1 GLU 429 HG2 0.01 0.00 0.01 -0.04 2.34 2.33 2ri5A1 GLU 429 HG3 0.02 -0.03 0.06 -0.04 2.34 2.34 2ri5A1 GLU 430 H 0.03 0.57 -0.07 -0.55 8.60 8.59 2ri5A1 GLU 430 HA 0.02 -0.02 0.40 -0.75 4.29 3.94 2ri5A1 GLU 430 HB2 0.08 0.08 0.27 -0.04 2.09 2.48 2ri5A1 GLU 430 HB3 0.06 -0.02 -0.02 -0.04 1.99 1.97 2ri5A1 GLU 430 HG2 0.09 -0.03 0.02 -0.04 2.34 2.38 2ri5A1 GLU 430 HG3 0.08 -0.03 0.03 -0.04 2.34 2.37 2ri5A1 THR 431 H -0.12 0.54 -0.04 -0.55 8.28 8.11 2ri5A1 THR 431 HA -0.05 0.11 0.65 -0.75 4.39 4.35 2ri5A1 THR 431 HB -0.12 -0.02 0.09 -0.04 4.32 4.23 2ri5A1 THR 431 HG23 -0.39 -0.00 0.01 -0.04 1.22 0.79 2ri5A1 GLY 432 H -0.03 0.33 -0.34 -0.55 8.43 7.84 2ri5A1 GLY 432 HA2 -0.01 0.01 0.33 -0.51 4.01 3.83 2ri5A1 GLY 432 HA3 -0.01 -0.00 0.41 -0.51 4.01 3.89 2ri5A1 ALA 433 H -0.04 0.00 -0.29 -0.55 8.40 7.53 2ri5A1 ALA 433 HA -0.02 0.13 0.69 -0.75 4.34 4.39 2ri5A1 ALA 433 HB3 -0.01 0.03 0.04 -0.04 1.41 1.43 2ri5A1 SER 434 H -0.03 0.16 0.13 -0.55 8.46 8.18 2ri5A1 SER 434 HA -0.03 0.13 0.79 -0.75 4.49 4.62 2ri5A1 SER 434 HB2 -0.05 0.00 0.10 -0.04 3.95 3.96 2ri5A1 SER 434 HB3 -0.03 0.02 0.04 -0.04 3.93 3.92 2ri5A1 ALA 435 H -0.09 0.09 0.16 -0.55 8.40 8.02 2ri5A1 ALA 435 HA -0.16 0.08 0.78 -0.75 4.34 4.28 2ri5A1 ALA 435 HB3 -0.22 -0.02 0.10 -0.04 1.41 1.23 2ri5A1 VAL 436 H -0.17 0.64 0.33 -0.55 8.24 8.48 2ri5A1 VAL 436 HA -0.41 0.11 0.51 -0.75 4.13 3.59 2ri5A1 VAL 436 HB -0.09 -0.10 0.08 -0.04 2.12 1.98 2ri5A1 VAL 436 HG13 -1.50 0.08 -0.16 -0.04 0.97 -0.65 2ri5A1 VAL 436 HG23 -0.35 0.01 -0.11 -0.04 0.95 0.46 2ri5A1 PRO 437 HA -0.16 0.02 0.51 -0.51 4.44 4.29 2ri5A1 PRO 437 HB2 -0.57 -0.11 0.03 -0.04 2.28 1.58 2ri5A1 PRO 437 HB3 -0.10 0.05 0.14 -0.04 2.02 2.07 2ri5A1 PRO 437 HG2 -1.29 -0.04 0.13 -0.04 2.03 0.78 2ri5A1 PRO 437 HG3 -0.38 0.03 0.12 -0.04 2.03 1.76 2ri5A1 PRO 437 HD2 -0.61 0.33 0.34 -0.04 3.68 3.70 2ri5A1 PRO 437 HD3 -0.28 0.16 0.27 -0.04 3.65 3.75 2ri5A1 THR 438 H -0.05 0.13 0.19 -0.55 8.28 8.00 2ri5A1 THR 438 HA 0.11 0.10 0.36 -0.75 4.39 4.20 2ri5A1 THR 438 HB 0.08 -0.04 0.13 -0.04 4.32 4.44 2ri5A1 THR 438 HG23 0.06 0.02 -0.03 -0.04 1.22 1.23 2ri5A1 TRP 439 H 0.08 0.02 -0.21 -0.55 7.97 7.31 2ri5A1 TRP 439 HA 0.07 0.12 0.31 -0.75 4.62 4.36 2ri5A1 TRP 439 HB2 0.03 0.04 0.04 -0.04 3.23 3.30 2ri5A1 TRP 439 HB3 0.02 -0.05 0.06 -0.04 3.23 3.22 2ri5A1 TRP 439 HD1 -0.01 -0.05 -0.00 -0.04 7.22 7.11 2ri5A1 TRP 439 HE1 -0.04 -0.00 -0.01 -0.04 10.20 10.11 2ri5A1 TRP 439 HE3 0.02 0.05 -0.46 -0.04 7.59 7.15 2ri5A1 TRP 439 HZ2 -0.05 -0.01 -0.03 -0.04 7.44 7.32 2ri5A1 TRP 439 HZ3 0.01 0.01 -0.18 -0.04 7.13 6.93 2ri5A1 TRP 439 HH2 -0.02 -0.09 -0.14 -0.04 7.19 6.91 2ri5A1 ALA 440 H -0.79 0.37 -0.52 -0.55 8.40 6.92 2ri5A1 ALA 440 HA -0.35 0.04 0.37 -0.75 4.34 3.65 2ri5A1 ALA 440 HB3 -1.19 0.01 -0.00 -0.04 1.41 0.20 2ri5A1 PHE 441 H 0.18 0.32 -0.24 -0.55 8.34 8.04 2ri5A1 PHE 441 HA 0.13 0.12 0.61 -0.75 4.62 4.72 2ri5A1 PHE 441 HB2 0.00 0.07 0.18 -0.04 3.15 3.36 2ri5A1 PHE 441 HB3 0.02 0.00 0.01 -0.04 3.06 3.05 2ri5A1 PHE 441 HD2 -0.08 0.13 -0.10 -0.04 7.28 7.18 2ri5A1 PHE 441 HE2 -0.13 0.02 -0.33 -0.04 7.38 6.90 2ri5A1 PHE 441 HZ -0.13 -0.04 -0.19 -0.04 7.32 6.92 2ri5A1 LYS 442 H 0.13 0.52 0.11 -0.55 8.42 8.63 2ri5A1 LYS 442 HA 0.13 0.13 0.81 -0.75 4.32 4.64 2ri5A1 LYS 442 HB2 0.10 -0.06 0.04 -0.04 1.87 1.91 2ri5A1 LYS 442 HB3 0.10 -0.04 0.05 -0.04 1.79 1.87 2ri5A1 LYS 442 HG2 0.16 0.03 -0.18 -0.04 1.46 1.44 2ri5A1 LYS 442 HG3 0.16 0.12 -0.50 -0.04 1.46 1.20 2ri5A1 LYS 442 HD2 0.15 -0.04 -0.02 -0.04 1.69 1.74 2ri5A1 LYS 442 HD3 0.13 -0.07 -0.03 -0.04 1.68 1.67 2ri5A1 LYS 442 HE2 0.17 -0.10 -0.02 -0.04 2.99 3.00 2ri5A1 LYS 442 HE3 0.22 0.03 -0.04 -0.04 2.99 3.16 2ri5A1 VAL 443 H 0.11 0.10 -0.12 -0.55 8.24 7.78 2ri5A1 VAL 443 HA 0.00 0.09 0.26 -0.75 4.13 3.72 2ri5A1 VAL 443 HB 0.04 -0.02 0.06 -0.04 2.12 2.16 2ri5A1 VAL 443 HG13 0.08 0.00 -0.11 -0.04 0.97 0.90 2ri5A1 VAL 443 HG23 -0.09 0.04 -0.08 -0.04 0.95 0.78 2ri5A1 ARG 444 H -0.04 0.46 0.30 -0.55 8.46 8.63 2ri5A1 ARG 444 HA 0.05 0.07 0.54 -0.75 4.34 4.25 2ri5A1 ARG 444 HB2 0.06 0.01 0.14 -0.04 1.90 2.06 2ri5A1 ARG 444 HB3 0.01 -0.08 0.18 -0.04 1.80 1.87 2ri5A1 ARG 444 HG2 -0.13 -0.04 0.09 -0.04 1.67 1.55 2ri5A1 ARG 444 HG3 0.12 0.22 -0.28 -0.04 1.67 1.70 2ri5A1 ARG 444 HD2 -0.04 -0.11 0.03 -0.04 3.22 3.06 2ri5A1 ARG 444 HD3 0.06 -0.01 0.00 -0.04 3.22 3.23 2ri5A1 PRO 445 HA 0.08 0.08 0.51 -0.51 4.44 4.61 2ri5A1 PRO 445 HB2 0.03 0.11 0.05 -0.04 2.28 2.43 2ri5A1 PRO 445 HB3 0.04 -0.03 0.11 -0.04 2.02 2.10 2ri5A1 PRO 445 HG2 0.06 0.04 0.03 -0.04 2.03 2.12 2ri5A1 PRO 445 HG3 0.04 -0.02 0.07 -0.04 2.03 2.08 2ri5A1 PRO 445 HD2 0.06 0.02 0.24 -0.04 3.68 3.96 2ri5A1 PRO 445 HD3 0.06 0.15 0.18 -0.04 3.65 3.99 2ri5A1 PRO 446 HA -0.20 0.08 0.51 -0.51 4.44 4.33 2ri5A1 PRO 446 HB2 -0.15 0.02 0.11 -0.04 2.28 2.22 2ri5A1 PRO 446 HB3 -0.32 -0.02 0.26 -0.04 2.02 1.89 2ri5A1 PRO 446 HG2 -0.10 -0.02 0.11 -0.04 2.03 1.98 2ri5A1 PRO 446 HG3 -0.20 0.00 0.10 -0.04 2.03 1.88 2ri5A1 PRO 446 HD2 -0.01 0.05 0.22 -0.04 3.68 3.90 2ri5A1 PRO 446 HD3 0.04 0.14 0.23 -0.04 3.65 4.02 2ri5A1 HIS 447 H -0.13 0.33 0.37 -0.55 8.41 8.43 2ri5A1 HIS 447 HA 0.04 0.12 0.48 -0.75 4.63 4.50 2ri5A1 HIS 447 HB2 0.23 -0.05 0.15 -0.04 3.26 3.55 2ri5A1 HIS 447 HB3 0.13 -0.00 0.15 -0.04 3.20 3.44 2ri5A1 HIS 447 HD2 0.08 -0.14 -0.22 -0.04 6.97 6.64 2ri5A1 HIS 447 HE1 0.10 -0.01 -0.03 -0.04 7.75 7.77 2ri5A1 SER 448 H 0.07 0.13 0.11 -0.55 8.46 8.22 2ri5A1 SER 448 HA 0.03 0.29 0.90 -0.75 4.49 4.96 2ri5A1 SER 448 HB2 -0.10 -0.03 0.06 -0.04 3.95 3.85 2ri5A1 SER 448 HB3 -0.05 -0.04 0.15 -0.04 3.93 3.94 2ri5A1 PHE 449 H 0.76 0.08 -0.14 -0.55 8.34 8.50 2ri5A1 PHE 449 HA -0.03 0.04 0.51 -0.75 4.62 4.39 2ri5A1 PHE 449 HB2 -0.24 -0.00 -0.00 -0.04 3.15 2.87 2ri5A1 PHE 449 HB3 -0.11 0.03 -0.10 -0.04 3.06 2.83 2ri5A1 PHE 449 HD2 -0.31 -0.04 -0.03 -0.04 7.28 6.85 2ri5A1 PHE 449 HE2 -0.43 0.06 -0.09 -0.04 7.38 6.88 2ri5A1 PHE 449 HZ -1.80 0.04 -0.21 -0.04 7.32 5.30 2ri5A1 LEU 450 H 0.11 0.14 0.17 -0.55 8.37 8.25 2ri5A1 LEU 450 HA 0.09 0.17 0.80 -0.75 4.35 4.66 2ri5A1 LEU 450 HB2 0.04 -0.00 0.01 -0.04 1.64 1.65 2ri5A1 LEU 450 HB3 0.04 -0.00 0.07 -0.04 1.64 1.71 2ri5A1 LEU 450 HG 0.02 0.06 -0.08 -0.04 1.64 1.59 2ri5A1 LEU 450 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.87 2ri5A1 LEU 450 HD23 0.03 0.04 -0.23 -0.04 0.89 0.69 2ri5A1 VAL 451 H 0.05 0.10 0.06 -0.55 8.24 7.90 2ri5A1 VAL 451 HA 0.02 0.09 0.29 -0.75 4.13 3.78 2ri5A1 VAL 451 HB 0.01 0.13 0.01 -0.04 2.12 2.22 2ri5A1 VAL 451 HG13 0.02 -0.02 -0.15 -0.04 0.97 0.77 2ri5A1 VAL 451 HG23 0.02 -0.01 -0.01 -0.04 0.95 0.91 2ri5A1 ASN 452 H 0.03 0.76 0.33 -0.55 8.53 9.11 2ri5A1 ASN 452 HA 0.07 -0.02 0.37 -0.75 4.76 4.42 2ri5A1 ASN 452 HB2 0.04 0.30 0.38 -0.04 2.88 3.57 2ri5A1 ASN 452 HB3 0.05 -0.04 0.14 -0.04 2.79 2.90 2ri5A1 ASN 452 HD21 0.02 -0.05 -0.07 -0.04 7.03 6.89 2ri5A1 ASN 452 HD22 0.02 0.03 -0.06 -0.04 7.74 7.70 2ri5A1 MET 453 H 0.07 0.37 -0.35 -0.55 8.47 8.01 2ri5A1 MET 453 HA 0.09 0.14 0.39 -0.75 4.52 4.39 2ri5A1 MET 453 HB2 0.14 -0.02 0.08 -0.04 2.15 2.32 2ri5A1 MET 453 HB3 0.11 -0.05 -0.13 -0.04 2.03 1.92 2ri5A1 MET 453 HG2 0.05 0.03 -0.10 -0.04 2.63 2.57 2ri5A1 MET 453 HG3 0.06 0.13 -0.01 -0.04 2.56 2.70 2ri5A1 MET 453 HE3 -0.02 0.04 0.06 -0.04 2.10 2.14 2ri5A1 LYS 454 H 0.12 0.43 0.50 -0.55 8.42 8.92 2ri5A1 LYS 454 HA 0.23 0.25 1.19 -0.75 4.32 5.24 2ri5A1 LYS 454 HB2 0.35 -0.10 0.12 -0.04 1.87 2.20 2ri5A1 LYS 454 HB3 0.75 0.02 0.18 -0.04 1.79 2.70 2ri5A1 LYS 454 HG2 0.31 0.01 -0.04 -0.04 1.46 1.70 2ri5A1 LYS 454 HG3 0.25 0.14 0.04 -0.04 1.46 1.85 2ri5A1 LYS 454 HD2 0.55 -0.08 -0.08 -0.04 1.69 2.05 2ri5A1 LYS 454 HD3 0.70 -0.04 -0.05 -0.04 1.68 2.25 2ri5A1 LYS 454 HE2 0.14 0.06 -0.03 -0.04 2.99 3.11 2ri5A1 LYS 454 HE3 0.02 -0.04 -0.07 -0.04 2.99 2.87 2ri5A1 LEU 455 H 0.32 0.70 0.33 -0.55 8.37 9.17 2ri5A1 LEU 455 HA 0.01 -0.06 0.64 -0.75 4.35 4.19 2ri5A1 LEU 455 HB2 0.24 0.28 0.22 -0.04 1.64 2.34 2ri5A1 LEU 455 HB3 0.30 -0.01 -0.18 -0.04 1.64 1.72 2ri5A1 LEU 455 HG 0.10 -0.01 -0.38 -0.04 1.64 1.31 2ri5A1 LEU 455 HD13 0.04 0.01 -0.16 -0.04 0.93 0.78 2ri5A1 LEU 455 HD23 0.07 -0.01 -0.37 -0.04 0.89 0.54 2ri5A1 GLU 456 H 0.14 0.80 0.27 -0.55 8.60 9.26 2ri5A1 GLU 456 HA 0.27 0.28 0.96 -0.75 4.29 5.04 2ri5A1 GLU 456 HB2 0.19 0.06 -0.08 -0.04 2.09 2.21 2ri5A1 GLU 456 HB3 0.22 0.04 -0.10 -0.04 1.99 2.10 2ri5A1 GLU 456 HG2 0.62 0.08 -0.17 -0.04 2.34 2.82 2ri5A1 GLU 456 HG3 0.39 -0.11 -0.40 -0.04 2.34 2.19 2ri5A1 ALA 457 H 0.17 0.54 0.22 -0.55 8.40 8.78 2ri5A1 ALA 457 HA 0.01 0.27 0.88 -0.75 4.34 4.76 2ri5A1 ALA 457 HB3 0.10 0.00 -0.11 -0.04 1.41 1.36 2ri5A1 VAL 458 H 0.00 0.62 0.25 -0.55 8.24 8.56 2ri5A1 VAL 458 HA -0.08 0.08 0.58 -0.75 4.13 3.95 2ri5A1 VAL 458 HB -0.03 -0.07 0.08 -0.04 2.12 2.06 2ri5A1 VAL 458 HG13 -0.13 0.06 -0.17 -0.04 0.97 0.69 2ri5A1 VAL 458 HG23 -0.04 0.02 -0.00 -0.04 0.95 0.89 2ri5A1 ASP 459 H -0.23 0.83 0.30 -0.55 8.40 8.75 2ri5A1 ASP 459 HA -0.24 0.02 0.45 -0.75 4.63 4.11 2ri5A1 ASP 459 HB2 -0.62 0.00 -0.01 -0.04 2.71 2.04 2ri5A1 ASP 459 HB3 -0.36 0.20 0.09 -0.04 2.70 2.59 2ri5A1 ARG 460 H -0.20 0.17 0.13 -0.55 8.46 8.01 2ri5A1 ARG 460 HA -0.20 0.14 0.35 -0.75 4.34 3.89 2ri5A1 ARG 460 HB2 -0.45 -0.02 0.06 -0.04 1.90 1.45 2ri5A1 ARG 460 HB3 -0.31 0.02 0.04 -0.04 1.80 1.52 2ri5A1 ARG 460 HG2 -0.40 0.04 -0.05 -0.04 1.67 1.23 2ri5A1 ARG 460 HG3 -1.27 0.02 0.02 -0.04 1.67 0.40 2ri5A1 ARG 460 HD2 -0.92 0.01 -0.02 -0.04 3.22 2.25 2ri5A1 ARG 460 HD3 -0.35 -0.00 0.01 -0.04 3.22 2.84 2ri5A1 ARG 461 H -0.26 -0.04 -0.29 -0.55 8.46 7.31 2ri5A1 ARG 461 HA -0.11 0.18 0.64 -0.75 4.34 4.29 2ri5A1 ARG 461 HB2 -0.30 -0.06 0.01 -0.04 1.90 1.51 2ri5A1 ARG 461 HB3 -0.14 0.02 0.00 -0.04 1.80 1.63 2ri5A1 ARG 461 HG2 -0.08 0.06 -0.04 -0.04 1.67 1.57 2ri5A1 ARG 461 HG3 -0.19 -0.07 -0.05 -0.04 1.67 1.32 2ri5A1 ARG 461 HD2 -0.13 0.03 -0.02 -0.04 3.22 3.06 2ri5A1 ARG 461 HD3 -0.59 -0.03 -0.01 -0.04 3.22 2.55 2ri5A1 ASN 462 H -0.24 0.04 -0.27 -0.55 8.53 7.51 2ri5A1 ASN 462 HA -0.08 0.24 0.77 -0.75 4.76 4.94 2ri5A1 ASN 462 HB2 -0.13 0.04 -0.07 -0.04 2.88 2.68 2ri5A1 ASN 462 HB3 -0.21 -0.05 0.16 -0.04 2.79 2.65 2ri5A1 ASN 462 HD21 -0.05 0.02 -0.03 -0.04 7.03 6.92 2ri5A1 ASN 462 HD22 -0.08 0.00 -0.02 -0.04 7.74 7.60 2ri5A1 PRO 463 HA -0.21 0.23 0.32 -0.51 4.44 4.27 2ri5A1 PRO 463 HB2 0.13 -0.04 -0.06 -0.04 2.28 2.28 2ri5A1 PRO 463 HB3 0.03 0.01 0.07 -0.04 2.02 2.09 2ri5A1 PRO 463 HG2 0.11 0.05 0.01 -0.04 2.03 2.15 2ri5A1 PRO 463 HG3 -0.02 0.12 -0.05 -0.04 2.03 2.04 2ri5A1 PRO 463 HD2 0.04 0.06 0.05 -0.04 3.68 3.79 2ri5A1 PRO 463 HD3 -0.05 0.28 -0.45 -0.04 3.65 3.39 2ri5A1 ALA 464 H -0.27 -0.00 -0.72 -0.55 8.40 6.86 2ri5A1 ALA 464 HA -1.75 0.09 0.42 -0.75 4.34 2.35 2ri5A1 ALA 464 HB3 -0.09 -0.01 -0.03 -0.04 1.41 1.23 2ri5A1 LEU 465 H -0.29 0.61 -0.02 -0.55 8.37 8.12 2ri5A1 LEU 465 HA -0.12 0.18 0.80 -0.75 4.35 4.46 2ri5A1 LEU 465 HB2 -0.27 0.06 0.12 -0.04 1.64 1.51 2ri5A1 LEU 465 HB3 -0.23 -0.02 -0.10 -0.04 1.64 1.24 2ri5A1 LEU 465 HG -0.13 0.02 -0.06 -0.04 1.64 1.43 2ri5A1 LEU 465 HD13 -0.14 0.00 -0.22 -0.04 0.93 0.53 2ri5A1 LEU 465 HD23 -0.16 -0.01 -0.03 -0.04 0.89 0.64 2ri5A1 ILE 466 H -0.06 0.28 0.16 -0.55 8.25 8.08 2ri5A1 ILE 466 HA -0.12 0.18 0.82 -0.75 4.18 4.31 2ri5A1 ILE 466 HB -0.04 0.08 0.08 -0.04 1.89 1.98 2ri5A1 ILE 466 HG12 -0.14 0.02 -0.22 -0.04 1.49 1.11 2ri5A1 ILE 466 HG13 -0.23 0.02 -0.46 -0.04 1.21 0.49 2ri5A1 ILE 466 HG23 0.06 -0.03 -0.33 -0.04 0.93 0.59 2ri5A1 ILE 466 HD13 -0.47 0.00 -0.17 -0.04 0.88 0.20 2ri5A1 ARG 467 H -0.09 0.66 0.23 -0.55 8.46 8.71 2ri5A1 ARG 467 HA -0.19 0.20 1.17 -0.75 4.34 4.78 2ri5A1 ARG 467 HB2 -0.45 -0.00 -0.06 -0.04 1.90 1.35 2ri5A1 ARG 467 HB3 -0.25 0.10 0.07 -0.04 1.80 1.68 2ri5A1 ARG 467 HG2 -0.36 0.03 -0.15 -0.04 1.67 1.15 2ri5A1 ARG 467 HG3 -0.56 -0.09 -0.30 -0.04 1.67 0.68 2ri5A1 ARG 467 HD2 -2.09 -0.02 -0.08 -0.04 3.22 0.99 2ri5A1 ARG 467 HD3 -0.89 0.05 -0.07 -0.04 3.22 2.27 2ri5A1 VAL 468 H -0.25 0.47 0.22 -0.55 8.24 8.14 2ri5A1 VAL 468 HA 0.09 0.07 0.59 -0.75 4.13 4.12 2ri5A1 VAL 468 HB -0.40 0.01 0.15 -0.04 2.12 1.84 2ri5A1 VAL 468 HG13 -0.21 -0.02 -0.06 -0.04 0.97 0.64 2ri5A1 VAL 468 HG23 -1.28 0.02 0.00 -0.04 0.95 -0.34 2ri5A1 ALA 469 H 0.34 0.67 0.45 -0.55 8.40 9.31 2ri5A1 ALA 469 HA 0.10 0.10 1.03 -0.75 4.34 4.82 2ri5A1 ALA 469 HB3 0.02 -0.01 -0.18 -0.04 1.41 1.20 2ri5A1 SER 470 H -0.00 0.55 0.38 -0.55 8.46 8.84 2ri5A1 SER 470 HA 0.14 0.29 0.93 -0.75 4.49 5.10 2ri5A1 SER 470 HB2 0.19 -0.06 -0.06 -0.04 3.95 3.98 2ri5A1 SER 470 HB3 0.13 0.06 -0.05 -0.04 3.93 4.03 2ri5A1 VAL 471 H 0.04 0.56 0.13 -0.55 8.24 8.43 2ri5A1 VAL 471 HA -0.16 0.15 0.66 -0.75 4.13 4.03 2ri5A1 VAL 471 HB 0.03 -0.08 0.23 -0.04 2.12 2.26 2ri5A1 VAL 471 HG13 -0.06 -0.03 -0.32 -0.04 0.97 0.52 2ri5A1 VAL 471 HG23 0.00 0.05 -0.08 -0.04 0.95 0.88 2ri5A1 GLU 472 H -0.22 0.90 0.41 -0.55 8.60 9.15 2ri5A1 GLU 472 HA -0.06 0.06 0.61 -0.75 4.29 4.15 2ri5A1 GLU 472 HB2 -0.05 -0.04 -0.07 -0.04 2.09 1.89 2ri5A1 GLU 472 HB3 -0.27 0.04 -0.07 -0.04 1.99 1.65 2ri5A1 GLU 472 HG2 -0.12 -0.00 -0.11 -0.04 2.34 2.07 2ri5A1 GLU 472 HG3 -0.17 -0.00 -0.26 -0.04 2.34 1.87 2ri5A1 ASP 473 H -0.31 0.25 0.23 -0.55 8.40 8.03 2ri5A1 ASP 473 HA -0.03 0.16 0.60 -0.75 4.63 4.61 2ri5A1 ASP 473 HB2 -0.20 0.03 -0.31 -0.04 2.71 2.19 2ri5A1 ASP 473 HB3 -0.49 -0.05 -0.12 -0.04 2.70 2.01 2ri5A1 VAL 474 H 0.20 0.27 0.18 -0.55 8.24 8.34 2ri5A1 VAL 474 HA 0.34 0.14 0.89 -0.75 4.13 4.75 2ri5A1 VAL 474 HB 0.30 0.21 0.07 -0.04 2.12 2.66 2ri5A1 VAL 474 HG13 0.15 0.01 -0.38 -0.04 0.97 0.70 2ri5A1 VAL 474 HG23 0.10 -0.02 -0.08 -0.04 0.95 0.92 2ri5A1 GLU 475 H 0.36 0.66 0.32 -0.55 8.60 9.39 2ri5A1 GLU 475 HA 0.02 0.17 0.70 -0.75 4.29 4.42 2ri5A1 GLU 475 HB2 0.05 -0.10 0.05 -0.04 2.09 2.05 2ri5A1 GLU 475 HB3 -0.08 -0.09 0.18 -0.04 1.99 1.95 2ri5A1 GLU 475 HG2 -0.23 0.07 0.01 -0.04 2.34 2.14 2ri5A1 GLU 475 HG3 -0.36 -0.02 -0.36 -0.04 2.34 1.55 2ri5A1 ASP 476 H -0.12 0.15 0.17 -0.55 8.40 8.05 2ri5A1 ASP 476 HA -0.33 0.16 0.46 -0.75 4.63 4.16 2ri5A1 ASP 476 HB2 -0.40 -0.04 0.15 -0.04 2.71 2.38 2ri5A1 ASP 476 HB3 -0.68 0.07 0.08 -0.04 2.70 2.14 2ri5A1 HIS 477 H -0.04 -0.01 -0.08 -0.55 8.41 7.73 2ri5A1 HIS 477 HA 0.19 0.24 1.09 -0.75 4.63 5.40 2ri5A1 HIS 477 HB2 -0.06 -0.01 0.02 -0.04 3.26 3.17 2ri5A1 HIS 477 HB3 -0.00 -0.03 0.18 -0.04 3.20 3.31 2ri5A1 HIS 477 HD2 -0.13 -0.01 -0.02 -0.04 6.97 6.76 2ri5A1 HIS 477 HE1 -0.02 0.30 -0.28 -0.04 7.75 7.71 2ri5A1 ARG 478 H 0.24 0.07 -0.06 -0.55 8.46 8.16 2ri5A1 ARG 478 HA 0.14 0.17 1.00 -0.75 4.34 4.91 2ri5A1 ARG 478 HB2 0.18 -0.07 -0.10 -0.04 1.90 1.87 2ri5A1 ARG 478 HB3 0.33 0.07 -0.08 -0.04 1.80 2.09 2ri5A1 ARG 478 HG2 0.20 0.05 -0.25 -0.04 1.67 1.63 2ri5A1 ARG 478 HG3 0.14 -0.10 -0.29 -0.04 1.67 1.39 2ri5A1 ARG 478 HD2 0.16 -0.00 -0.26 -0.04 3.22 3.07 2ri5A1 ARG 478 HD3 0.16 0.04 -0.14 -0.04 3.22 3.24 2ri5A1 ILE 479 H 0.03 0.71 0.33 -0.55 8.25 8.76 2ri5A1 ILE 479 HA 0.08 0.18 0.95 -0.75 4.18 4.64 2ri5A1 ILE 479 HB -0.34 0.02 0.00 -0.04 1.89 1.53 2ri5A1 ILE 479 HG12 -0.42 0.04 -0.07 -0.04 1.49 1.00 2ri5A1 ILE 479 HG13 -0.39 -0.03 -0.19 -0.04 1.21 0.56 2ri5A1 ILE 479 HG23 -0.64 -0.01 -0.19 -0.04 0.93 0.05 2ri5A1 ILE 479 HD13 -0.84 0.00 -0.16 -0.04 0.88 -0.16 2ri5A1 LYS 480 H -0.48 0.63 0.23 -0.55 8.42 8.25 2ri5A1 LYS 480 HA -0.90 0.28 0.90 -0.75 4.32 3.85 2ri5A1 LYS 480 HB2 -2.48 -0.01 -0.13 -0.04 1.87 -0.80 2ri5A1 LYS 480 HB3 -0.81 -0.19 0.08 -0.04 1.79 0.83 2ri5A1 LYS 480 HG2 -0.69 0.06 -0.26 -0.04 1.46 0.53 2ri5A1 LYS 480 HG3 -1.42 -0.01 -0.39 -0.04 1.46 -0.39 2ri5A1 LYS 480 HD2 -1.04 -0.02 -0.17 -0.04 1.69 0.42 2ri5A1 LYS 480 HD3 -0.47 -0.02 -0.18 -0.04 1.68 0.97 2ri5A1 LYS 480 HE2 -0.26 0.03 -0.28 -0.04 2.99 2.44 2ri5A1 LYS 480 HE3 -0.40 -0.01 -0.22 -0.04 2.99 2.32 2ri5A1 ILE 481 H -0.90 0.73 0.30 -0.55 8.25 7.83 2ri5A1 ILE 481 HA -0.47 0.18 0.73 -0.75 4.18 3.87 2ri5A1 ILE 481 HB -2.03 0.07 0.14 -0.04 1.89 0.03 2ri5A1 ILE 481 HG12 -0.67 0.01 -0.12 -0.04 1.49 0.67 2ri5A1 ILE 481 HG13 -0.61 0.03 -0.10 -0.04 1.21 0.50 2ri5A1 ILE 481 HG23 -0.77 -0.02 -0.29 -0.04 0.93 -0.18 2ri5A1 ILE 481 HD13 -0.34 0.00 -0.20 -0.04 0.88 0.30 2ri5A1 HIS 482 H -0.23 0.57 0.35 -0.55 8.41 8.55 2ri5A1 HIS 482 HA -0.24 0.16 0.83 -0.75 4.63 4.62 2ri5A1 HIS 482 HB2 -0.07 0.01 -0.07 -0.04 3.26 3.08 2ri5A1 HIS 482 HB3 -0.08 0.01 0.03 -0.04 3.20 3.12 2ri5A1 HIS 482 HD2 0.03 -0.04 -0.22 -0.04 6.97 6.69 2ri5A1 HIS 482 HE1 -0.36 0.32 -0.15 -0.04 7.75 7.53 2ri5A1 PHE 483 H -0.33 0.20 -0.04 -0.55 8.34 7.62 2ri5A1 PHE 483 HA -0.19 0.22 0.79 -0.75 4.62 4.68 2ri5A1 PHE 483 HB2 -0.30 -0.06 0.09 -0.04 3.15 2.83 2ri5A1 PHE 483 HB3 -0.29 0.08 -0.02 -0.04 3.06 2.78 2ri5A1 PHE 483 HD2 -0.23 0.09 -0.13 -0.04 7.28 6.97 2ri5A1 PHE 483 HE2 -0.12 0.02 -0.11 -0.04 7.38 7.13 2ri5A1 PHE 483 HZ -0.03 0.22 -0.27 -0.04 7.32 7.20 2ri5A1 ASP 484 H 0.03 0.29 0.17 -0.55 8.40 8.34 2ri5A1 ASP 484 HA 0.07 -0.02 0.31 -0.75 4.63 4.24 2ri5A1 ASP 484 HB2 0.04 0.04 0.05 -0.04 2.71 2.79 2ri5A1 ASP 484 HB3 0.18 0.01 -0.04 -0.04 2.70 2.80 2ri5A1 GLY 485 H 0.15 0.12 0.16 -0.55 8.43 8.31 2ri5A1 GLY 485 HA2 0.01 0.01 0.38 -0.51 4.01 3.91 2ri5A1 GLY 485 HA3 -0.06 0.09 0.68 -0.51 4.01 4.21 2ri5A1 TRP 486 H 0.25 0.59 -0.23 -0.55 7.97 8.03 2ri5A1 TRP 486 HA 0.05 0.16 0.89 -0.75 4.62 4.97 2ri5A1 TRP 486 HB2 0.04 0.14 0.05 -0.04 3.23 3.41 2ri5A1 TRP 486 HB3 0.18 -0.12 0.12 -0.04 3.23 3.37 2ri5A1 TRP 486 HD1 -0.10 0.22 -0.27 -0.04 7.22 7.03 2ri5A1 TRP 486 HE1 -0.23 0.06 -0.06 -0.04 10.20 9.93 2ri5A1 TRP 486 HE3 -0.13 -0.07 0.05 -0.04 7.59 7.40 2ri5A1 TRP 486 HZ2 -0.22 0.01 -0.03 -0.04 7.44 7.16 2ri5A1 TRP 486 HZ3 -0.22 -0.01 -0.00 -0.04 7.13 6.86 2ri5A1 TRP 486 HH2 -0.18 -0.00 -0.02 -0.04 7.19 6.94 2ri5A1 SER 487 H 0.57 0.11 0.14 -0.55 8.46 8.73 2ri5A1 SER 487 HA 0.17 0.11 0.44 -0.75 4.49 4.45 2ri5A1 SER 487 HB2 0.15 0.10 0.13 -0.04 3.95 4.29 2ri5A1 SER 487 HB3 0.17 0.04 0.13 -0.04 3.93 4.22 2ri5A1 HIS 488 H 0.18 0.19 0.19 -0.55 8.41 8.43 2ri5A1 HIS 488 HA 0.24 0.13 0.48 -0.75 4.63 4.72 2ri5A1 HIS 488 HB2 0.01 -0.02 0.13 -0.04 3.26 3.34 2ri5A1 HIS 488 HB3 -0.02 0.04 0.07 -0.04 3.20 3.25 2ri5A1 HIS 488 HD2 -0.03 -0.01 0.03 -0.04 6.97 6.91 2ri5A1 HIS 488 HE1 -0.63 0.01 -0.04 -0.04 7.75 7.05 2ri5A1 GLY 489 H 0.05 -0.02 -0.40 -0.55 8.43 7.51 2ri5A1 GLY 489 HA2 -0.01 0.13 0.40 -0.51 4.01 4.02 2ri5A1 GLY 489 HA3 -0.14 0.00 0.25 -0.51 4.01 3.61 2ri5A1 TYR 490 H 0.13 0.33 -0.54 -0.55 8.29 7.66 2ri5A1 TYR 490 HA 0.08 0.17 0.68 -0.75 4.56 4.74 2ri5A1 TYR 490 HB2 0.15 0.12 0.03 -0.04 3.06 3.32 2ri5A1 TYR 490 HB3 0.10 -0.04 0.08 -0.04 2.98 3.08 2ri5A1 TYR 490 HD2 0.17 0.02 0.03 -0.04 7.15 7.33 2ri5A1 TYR 490 HE2 0.20 -0.01 -0.00 -0.04 6.85 6.99 2ri5A1 ASP 491 H 0.14 0.30 -0.35 -0.55 8.40 7.94 2ri5A1 ASP 491 HA -0.04 0.22 0.56 -0.75 4.63 4.61 2ri5A1 ASP 491 HB2 0.00 0.05 0.07 -0.04 2.71 2.80 2ri5A1 ASP 491 HB3 -0.16 -0.07 -0.03 -0.04 2.70 2.39 2ri5A1 PHE 492 H -0.55 0.39 0.32 -0.55 8.34 7.95 2ri5A1 PHE 492 HA -0.10 0.10 0.71 -0.75 4.62 4.58 2ri5A1 PHE 492 HB2 -0.04 0.04 0.05 -0.04 3.15 3.16 2ri5A1 PHE 492 HB3 -0.05 0.14 -0.22 -0.04 3.06 2.88 2ri5A1 PHE 492 HD2 -0.16 0.26 -0.13 -0.04 7.28 7.21 2ri5A1 PHE 492 HE2 -0.53 -0.04 -0.10 -0.04 7.38 6.67 2ri5A1 PHE 492 HZ -0.22 0.05 -0.09 -0.04 7.32 7.02 2ri5A1 TRP 493 H 0.27 0.16 0.15 -0.55 7.97 8.00 2ri5A1 TRP 493 HA -0.15 0.16 0.70 -0.75 4.62 4.57 2ri5A1 TRP 493 HB2 0.00 0.03 0.08 -0.04 3.23 3.30 2ri5A1 TRP 493 HB3 -0.02 -0.02 -0.08 -0.04 3.23 3.08 2ri5A1 TRP 493 HD1 0.00 0.04 -0.03 -0.04 7.22 7.20 2ri5A1 TRP 493 HE1 -0.01 0.02 -0.10 -0.04 10.20 10.07 2ri5A1 TRP 493 HE3 -0.05 0.02 -0.44 -0.04 7.59 7.08 2ri5A1 TRP 493 HZ2 -0.02 0.02 -0.13 -0.04 7.44 7.27 2ri5A1 TRP 493 HZ3 -0.01 0.01 -0.54 -0.04 7.13 6.54 2ri5A1 TRP 493 HH2 -0.01 0.04 -0.31 -0.04 7.19 6.87 2ri5A1 ILE 494 H 0.10 0.53 0.36 -0.55 8.25 8.69 2ri5A1 ILE 494 HA 0.08 0.10 0.68 -0.75 4.18 4.28 2ri5A1 ILE 494 HB 0.05 0.08 -0.26 -0.04 1.89 1.71 2ri5A1 ILE 494 HG12 -0.07 0.11 0.00 -0.04 1.49 1.50 2ri5A1 ILE 494 HG13 -0.19 -0.02 0.13 -0.04 1.21 1.09 2ri5A1 ILE 494 HG23 -0.24 0.03 -0.10 -0.04 0.93 0.58 2ri5A1 ILE 494 HD13 -0.36 -0.01 -0.08 -0.04 0.88 0.39 2ri5A1 ASP 495 H 0.10 0.14 0.17 -0.55 8.40 8.26 2ri5A1 ASP 495 HA 0.12 0.16 0.69 -0.75 4.63 4.84 2ri5A1 ASP 495 HB2 0.14 -0.01 0.15 -0.04 2.71 2.95 2ri5A1 ASP 495 HB3 0.13 -0.04 0.12 -0.04 2.70 2.86 2ri5A1 ALA 496 H 0.07 0.56 0.33 -0.55 8.40 8.82 2ri5A1 ALA 496 HA -0.26 0.08 0.36 -0.75 4.34 3.77 2ri5A1 ALA 496 HB3 0.01 0.01 0.06 -0.04 1.41 1.46 2ri5A1 ASP 497 H 0.06 0.02 -0.31 -0.55 8.40 7.62 2ri5A1 ASP 497 HA 0.05 0.20 0.79 -0.75 4.63 4.90 2ri5A1 ASP 497 HB2 0.03 -0.02 0.13 -0.04 2.71 2.82 2ri5A1 ASP 497 HB3 0.05 0.02 0.01 -0.04 2.70 2.75 2ri5A1 HIS 498 H 0.08 0.40 -0.34 -0.55 8.41 8.01 2ri5A1 HIS 498 HA -0.02 0.08 0.43 -0.75 4.63 4.37 2ri5A1 HIS 498 HB2 -0.02 -0.03 0.14 -0.04 3.26 3.31 2ri5A1 HIS 498 HB3 -0.06 0.02 0.05 -0.04 3.20 3.16 2ri5A1 HIS 498 HD2 -0.00 -0.05 0.07 -0.04 6.97 6.94 2ri5A1 HIS 498 HE1 -0.01 0.06 -0.01 -0.04 7.75 7.75 2ri5A1 PRO 499 HA -0.08 0.12 0.37 -0.51 4.44 4.34 2ri5A1 PRO 499 HB2 -0.08 0.01 0.01 -0.04 2.28 2.17 2ri5A1 PRO 499 HB3 -0.03 0.01 0.11 -0.04 2.02 2.06 2ri5A1 PRO 499 HG2 -0.19 0.01 0.10 -0.04 2.03 1.90 2ri5A1 PRO 499 HG3 -0.12 0.07 0.11 -0.04 2.03 2.05 2ri5A1 PRO 499 HD2 -1.05 0.08 0.19 -0.04 3.68 2.86 2ri5A1 PRO 499 HD3 -0.42 0.12 0.28 -0.04 3.65 3.59 2ri5A1 ASP 500 H 0.51 0.01 -0.50 -0.55 8.40 7.87 2ri5A1 ASP 500 HA -0.15 0.29 0.92 -0.75 4.63 4.94 2ri5A1 ASP 500 HB2 0.17 -0.01 0.02 -0.04 2.71 2.85 2ri5A1 ASP 500 HB3 0.00 -0.09 0.18 -0.04 2.70 2.75 2ri5A1 ILE 501 H -0.31 0.44 -0.18 -0.55 8.25 7.65 2ri5A1 ILE 501 HA -0.19 0.16 1.02 -0.75 4.18 4.42 2ri5A1 ILE 501 HB -0.03 -0.02 0.00 -0.04 1.89 1.80 2ri5A1 ILE 501 HG12 -0.07 0.07 0.01 -0.04 1.49 1.46 2ri5A1 ILE 501 HG13 0.02 0.02 -0.09 -0.04 1.21 1.12 2ri5A1 ILE 501 HG23 -0.14 -0.04 -0.14 -0.04 0.93 0.57 2ri5A1 ILE 501 HD13 -0.26 0.03 -0.08 -0.04 0.88 0.52 2ri5A1 HIS 502 H -0.08 0.72 0.34 -0.55 8.41 8.84 2ri5A1 HIS 502 HA -0.52 0.23 0.76 -0.75 4.63 4.35 2ri5A1 HIS 502 HB2 -0.44 -0.19 -0.10 -0.04 3.26 2.49 2ri5A1 HIS 502 HB3 -0.84 0.08 0.08 -0.04 3.20 2.48 2ri5A1 HIS 502 HD2 -0.73 -0.10 -0.38 -0.04 6.97 5.70 2ri5A1 HIS 502 HE1 -0.47 -0.02 0.06 -0.04 7.75 7.27 2ri5A1 PRO 503 HA -0.30 0.07 0.57 -0.51 4.44 4.27 2ri5A1 PRO 503 HB2 -0.24 0.04 0.06 -0.04 2.28 2.10 2ri5A1 PRO 503 HB3 -0.72 0.07 0.04 -0.04 2.02 1.36 2ri5A1 PRO 503 HG2 -0.15 0.01 0.03 -0.04 2.03 1.88 2ri5A1 PRO 503 HG3 -0.34 0.01 0.08 -0.04 2.03 1.74 2ri5A1 PRO 503 HD2 -0.37 0.31 0.21 -0.04 3.68 3.80 2ri5A1 PRO 503 HD3 -1.40 0.12 0.02 -0.04 3.65 2.35 2ri5A1 ALA 504 H -0.27 0.18 0.22 -0.55 8.40 7.99 2ri5A1 ALA 504 HA -0.26 0.00 0.37 -0.75 4.34 3.70 2ri5A1 ALA 504 HB3 -1.44 0.01 0.07 -0.04 1.41 0.01 2ri5A1 GLY 505 H 0.21 0.09 0.14 -0.55 8.43 8.32 2ri5A1 GLY 505 HA2 0.19 -0.06 0.36 -0.51 4.01 3.99 2ri5A1 GLY 505 HA3 0.02 0.24 0.68 -0.51 4.01 4.43 2ri5A1 TRP 506 H 0.23 0.49 -0.25 -0.55 7.97 7.89 2ri5A1 TRP 506 HA -0.09 0.11 0.32 -0.75 4.62 4.20 2ri5A1 TRP 506 HB2 -0.11 0.20 0.05 -0.04 3.23 3.32 2ri5A1 TRP 506 HB3 -0.08 -0.12 -0.02 -0.04 3.23 2.98 2ri5A1 TRP 506 HD1 -0.16 0.06 -0.09 -0.04 7.22 6.99 2ri5A1 TRP 506 HE1 -0.17 0.13 -0.19 -0.04 10.20 9.93 2ri5A1 TRP 506 HE3 -0.25 -0.10 -0.31 -0.04 7.59 6.89 2ri5A1 TRP 506 HZ2 0.00 0.01 -0.03 -0.04 7.44 7.38 2ri5A1 TRP 506 HZ3 -0.40 -0.01 -0.17 -0.04 7.13 6.52 2ri5A1 TRP 506 HH2 -0.10 -0.02 -0.14 -0.04 7.19 6.88 2ri5A1 CYS 507 H 0.34 0.04 -0.16 -0.55 8.50 8.17 2ri5A1 CYS 507 HA -0.03 0.09 0.39 -0.75 4.58 4.28 2ri5A1 CYS 507 HB2 0.23 -0.18 -0.01 -0.04 2.97 2.97 2ri5A1 CYS 507 HB3 0.16 0.40 -0.20 -0.04 2.97 3.29 2ri5A1 SER 508 H 0.16 -0.04 -0.23 -0.55 8.46 7.80 2ri5A1 SER 508 HA 0.06 0.10 0.37 -0.75 4.49 4.26 2ri5A1 SER 508 HB2 0.18 -0.06 0.11 -0.04 3.95 4.14 2ri5A1 SER 508 HB3 0.12 0.04 0.13 -0.04 3.93 4.18 2ri5A1 LYS 509 H -0.04 0.55 -0.12 -0.55 8.42 8.25 2ri5A1 LYS 509 HA -0.06 0.03 0.45 -0.75 4.32 3.98 2ri5A1 LYS 509 HB2 -0.16 0.10 0.08 -0.04 1.87 1.84 2ri5A1 LYS 509 HB3 -0.11 -0.03 0.04 -0.04 1.79 1.65 2ri5A1 LYS 509 HG2 -0.02 -0.07 0.02 -0.04 1.46 1.35 2ri5A1 LYS 509 HG3 -0.00 0.06 0.10 -0.04 1.46 1.58 2ri5A1 LYS 509 HD2 -0.03 0.06 -0.11 -0.04 1.69 1.56 2ri5A1 LYS 509 HD3 -0.03 -0.05 -0.02 -0.04 1.68 1.53 2ri5A1 LYS 509 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.90 2ri5A1 LYS 509 HE3 0.01 -0.06 0.01 -0.04 2.99 2.91 2ri5A1 THR 510 H -0.31 0.31 -0.24 -0.55 8.28 7.49 2ri5A1 THR 510 HA -0.28 0.27 0.89 -0.75 4.39 4.52 2ri5A1 THR 510 HB -0.47 -0.18 0.16 -0.04 4.32 3.79 2ri5A1 THR 510 HG23 -1.11 0.04 0.06 -0.04 1.22 0.18 2ri5A1 GLY 511 H -0.10 0.34 -0.14 -0.55 8.43 7.97 2ri5A1 GLY 511 HA2 -0.03 0.03 0.29 -0.51 4.01 3.79 2ri5A1 GLY 511 HA3 -0.04 0.06 0.60 -0.51 4.01 4.12 2ri5A1 HIS 512 H 0.01 0.50 0.13 -0.55 8.41 8.51 2ri5A1 HIS 512 HA -0.02 0.15 0.76 -0.75 4.63 4.77 2ri5A1 HIS 512 HB2 -0.09 -0.09 -0.13 -0.04 3.26 2.91 2ri5A1 HIS 512 HB3 -0.04 -0.10 0.02 -0.04 3.20 3.04 2ri5A1 HIS 512 HD2 0.06 0.11 -0.14 -0.04 6.97 6.95 2ri5A1 HIS 512 HE1 -0.17 0.03 0.03 -0.04 7.75 7.59 2ri5A1 PRO 513 HA 0.03 0.02 0.41 -0.51 4.44 4.39 2ri5A1 PRO 513 HB2 -0.06 0.01 -0.02 -0.04 2.28 2.16 2ri5A1 PRO 513 HB3 -0.04 0.02 0.04 -0.04 2.02 2.00 2ri5A1 PRO 513 HG2 -0.14 0.03 0.06 -0.04 2.03 1.94 2ri5A1 PRO 513 HG3 -0.08 0.04 0.03 -0.04 2.03 1.98 2ri5A1 PRO 513 HD2 -0.66 0.13 0.17 -0.04 3.68 3.27 2ri5A1 PRO 513 HD3 -0.26 0.18 0.22 -0.04 3.65 3.75 2ri5A1 LEU 514 H 0.01 0.18 0.15 -0.55 8.37 8.17 2ri5A1 LEU 514 HA 0.01 0.27 0.88 -0.75 4.35 4.76 2ri5A1 LEU 514 HB2 0.11 -0.06 -0.08 -0.04 1.64 1.57 2ri5A1 LEU 514 HB3 0.00 -0.02 0.07 -0.04 1.64 1.66 2ri5A1 LEU 514 HG -0.43 0.05 -0.45 -0.04 1.64 0.77 2ri5A1 LEU 514 HD13 0.01 0.04 -0.23 -0.04 0.93 0.70 2ri5A1 LEU 514 HD23 0.08 -0.05 -0.10 -0.04 0.89 0.78 2ri5A1 GLN 515 H -0.15 0.75 0.33 -0.55 8.47 8.86 2ri5A1 GLN 515 HA -0.20 0.13 0.69 -0.75 4.36 4.23 2ri5A1 GLN 515 HB2 -0.21 -0.09 0.11 -0.04 2.15 1.92 2ri5A1 GLN 515 HB3 -0.13 0.07 0.02 -0.04 2.02 1.93 2ri5A1 GLN 515 HG2 -0.14 0.02 -0.03 -0.04 2.40 2.21 2ri5A1 GLN 515 HG3 -0.15 -0.04 -0.06 -0.04 2.39 2.10 2ri5A1 GLN 515 HE21 -0.07 -0.00 -0.15 -0.04 6.97 6.70 2ri5A1 GLN 515 HE22 -0.07 0.02 -0.18 -0.04 7.69 7.41 2ri5A1 PRO 516 HA -1.32 0.02 0.49 -0.51 4.44 3.12 2ri5A1 PRO 516 HB2 -0.84 0.07 0.04 -0.04 2.28 1.51 2ri5A1 PRO 516 HB3 -1.61 -0.03 0.06 -0.04 2.02 0.40 2ri5A1 PRO 516 HG2 -0.28 0.05 -0.04 -0.04 2.03 1.72 2ri5A1 PRO 516 HG3 -0.24 0.02 0.06 -0.04 2.03 1.83 2ri5A1 PRO 516 HD2 -0.23 0.03 0.26 -0.04 3.68 3.69 2ri5A1 PRO 516 HD3 -0.33 0.30 0.25 -0.04 3.65 3.83 2ri5A1 PRO 517 HA -0.10 0.25 0.39 -0.51 4.44 4.47 2ri5A1 PRO 517 HB2 -0.07 -0.02 -0.08 -0.04 2.28 2.06 2ri5A1 PRO 517 HB3 -0.01 -0.01 -0.23 -0.04 2.02 1.73 2ri5A1 PRO 517 HG2 -0.53 0.00 0.00 -0.04 2.03 1.47 2ri5A1 PRO 517 HG3 -0.33 0.03 0.02 -0.04 2.03 1.71 2ri5A1 PRO 517 HD2 -0.60 0.07 0.13 -0.04 3.68 3.24 2ri5A1 PRO 517 HD3 -1.21 0.05 0.18 -0.04 3.65 2.62 2ri5A1 LEU 518 H -0.13 0.23 0.19 -0.55 8.37 8.11 2ri5A1 LEU 518 HA -0.26 -0.00 0.40 -0.75 4.35 3.73 2ri5A1 LEU 518 HB2 -1.23 -0.02 0.04 -0.04 1.64 0.39 2ri5A1 LEU 518 HB3 -0.64 0.17 0.04 -0.04 1.64 1.16 2ri5A1 LEU 518 HG -0.49 0.05 -0.08 -0.04 1.64 1.08 2ri5A1 LEU 518 HD13 -0.65 -0.02 0.01 -0.04 0.93 0.24 2ri5A1 LEU 518 HD23 -1.32 -0.00 -0.00 -0.04 0.89 -0.47 2ri5A1 GLY 519 H -0.16 0.10 0.10 -0.55 8.43 7.92 2ri5A1 GLY 519 HA2 -0.09 0.21 0.65 -0.51 4.01 4.28 2ri5A1 GLY 519 HA3 -0.06 0.08 0.10 -0.51 4.01 3.62