============================================================================= 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. HIS 10 0.900 5.042 16.210 74.247 -99.200 -91.000 PHE 17 1.000 14.714 25.676 55.464 -99.200 -91.000 PHE 23 1.000 9.000 21.166 42.842 -99.200 -91.000 PHE 30 1.000 11.485 20.320 61.087 -99.200 -91.000 PHE 35 1.000 4.710 7.636 67.364 -99.200 -91.000 PHE 45 1.000 5.147 -8.064 75.341 -99.200 -91.000 TRP 54 1.040 12.467 18.580 73.209 -99.200 -91.000 TRP6 54 1.020 10.844 17.147 72.263 -99.200 -91.000 PHE 56 1.000 18.807 23.484 77.625 -99.200 -91.000 TYR 63 0.840 17.431 9.318 57.323 -99.200 -91.000 PHE 81 1.000 8.010 -2.814 49.289 -99.200 -91.000 TYR 98 0.840 12.623 8.103 68.047 -99.200 -91.000 TYR 102 0.840 10.547 13.474 54.590 -99.200 -91.000 TRP 118 1.040 4.362 5.059 53.878 -99.200 -91.000 TRP6 118 1.020 3.026 4.219 52.123 -99.200 -91.000 HIS 120 0.900 6.846 0.230 58.524 -99.200 -91.000 TYR 132 0.840 8.134 3.250 52.507 -99.200 -91.000 HIS 140 0.900 7.860 16.625 42.082 -99.200 -91.000 TYR 150 0.840 3.491 -0.173 62.142 -99.200 -91.000 TRP 155 1.040 10.075 -5.881 71.178 -99.200 -91.000 TRP6 155 1.020 11.145 -7.366 69.683 -99.200 -91.000 PHE 157 1.000 0.890 -5.650 65.364 -99.200 -91.000 PHE 158 1.000 2.710 -12.302 74.191 -99.200 -91.000 HIS 164 0.900 -3.959 -10.735 83.329 -99.200 -91.000 TRP 169 1.040 0.838 -4.746 72.784 -99.200 -91.000 TRP6 169 1.020 -0.834 -3.996 74.278 -99.200 -91.000 HIS 171 0.900 -3.046 -2.634 64.011 -99.200 -91.000 TRP 180 1.040 3.783 14.555 68.024 -99.200 -91.000 TRP6 180 1.020 4.458 15.513 65.974 -99.200 -91.000 PHE 188 1.000 6.822 20.130 62.819 -99.200 -91.000 PHE 198 1.000 0.355 8.200 51.968 -99.200 -91.000 PHE 220 1.000 -9.235 7.772 59.740 -99.200 -91.000 HIS 221 0.900 -9.701 15.345 59.060 -99.200 -91.000 HIS 264 0.900 6.948 -10.364 86.232 -99.200 -91.000 PHE 283 1.000 6.710 -15.141 64.194 -99.200 -91.000 PHE 321 1.000 -16.740 4.601 63.653 -99.200 -91.000 HIS 322 0.900 -15.811 10.682 61.269 -99.200 -91.000 TYR 326 0.840 -10.571 2.455 52.840 -99.200 -91.000 PHE 335 1.000 2.285 -15.252 46.382 -99.200 -91.000 TRP 337 1.040 10.888 -11.759 42.132 -99.200 -91.000 TRP6 337 1.020 11.931 -9.929 43.201 -99.200 -91.000 TYR 345 0.840 4.564 -19.533 48.257 -99.200 -91.000 TRP 362 1.040 -2.867 -28.996 53.222 -99.200 -91.000 TRP6 362 1.020 -4.727 -28.067 54.348 -99.200 -91.000 TYR 365 0.840 -5.596 -23.207 56.683 -99.200 -91.000 TYR 382 0.840 -7.960 -18.468 40.194 -99.200 -91.000 PHE 396 1.000 -0.196 -21.959 43.502 -99.200 -91.000 PHE 405 1.000 -1.888 -8.814 48.922 -99.200 -91.000 HIS 416 0.900 -15.601 3.904 52.641 -99.200 -91.000 TYR 424 0.840 -13.162 8.475 44.340 -99.200 -91.000 TYR 426 0.840 -4.594 2.005 43.475 -99.200 -91.000 PHE 428 1.000 1.430 1.416 39.575 -99.200 -91.000 TYR 430 0.840 5.541 1.897 34.332 -99.200 -91.000 PHE 434 1.000 12.817 4.043 39.842 -99.200 -91.000 HIS 447 0.900 2.359 -6.425 48.268 -99.200 -91.000 PHE 452 1.000 10.133 1.355 43.606 -99.200 -91.000 PHE 455 1.000 5.915 7.513 50.022 -99.200 -91.000 PHE 459 1.000 9.419 13.478 39.771 -99.200 -91.000 PHE 478 1.000 -5.450 10.456 38.998 -99.200 -91.000 TRP 479 1.040 -1.588 7.896 46.467 -99.200 -91.000 TRP6 479 1.020 -2.492 6.781 44.588 -99.200 -91.000 PHE 482 1.000 -9.202 9.826 48.364 -99.200 -91.000 HIS 495 0.900 -14.204 11.187 35.627 -99.200 -91.000 TRP 496 1.040 -10.097 6.827 40.357 -99.200 -91.000 TRP6 496 1.020 -7.965 6.711 41.375 -99.200 -91.000 TYR 499 0.840 -16.143 -0.371 43.682 -99.200 -91.000 TYR 505 0.840 -10.990 -1.421 37.502 -99.200 -91.000 PHE 525 1.000 -13.772 -20.164 42.448 -99.200 -91.000 TRP 526 1.040 -11.475 -16.567 45.092 -99.200 -91.000 TRP6 526 1.020 -10.289 -18.496 45.774 -99.200 -91.000 PHE 530 1.000 -12.253 -18.165 50.817 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mx5A1 SER 1021 HA 0.06 -0.08 0.13 -0.75 4.49 3.84 1mx5A1 SER 1021 HB2 0.07 -0.10 0.06 -0.04 3.95 3.94 1mx5A1 SER 1021 HB3 0.04 -0.03 0.02 -0.04 3.93 3.93 1mx5A1 SER 1022 H 0.08 0.02 0.04 -0.55 8.46 8.06 1mx5A1 SER 1022 HA 0.05 0.04 0.39 -0.75 4.49 4.22 1mx5A1 SER 1022 HB2 0.06 -0.08 0.13 -0.04 3.95 4.02 1mx5A1 SER 1022 HB3 0.10 -0.02 0.12 -0.04 3.93 4.10 1mx5A1 PRO 1023 HA -0.17 0.03 0.39 -0.51 4.44 4.19 1mx5A1 PRO 1023 HB2 -0.04 -0.10 0.03 -0.04 2.28 2.13 1mx5A1 PRO 1023 HB3 -0.11 0.26 0.14 -0.04 2.02 2.28 1mx5A1 PRO 1023 HG2 -0.02 -0.07 0.11 -0.04 2.03 2.00 1mx5A1 PRO 1023 HG3 -0.02 0.11 0.19 -0.04 2.03 2.27 1mx5A1 PRO 1023 HD2 0.01 -0.03 0.19 -0.04 3.68 3.81 1mx5A1 PRO 1023 HD3 0.03 0.19 0.26 -0.04 3.65 4.09 1mx5A1 PRO 1024 HA -0.05 0.05 0.41 -0.51 4.44 4.34 1mx5A1 PRO 1024 HB2 -0.18 -0.06 -0.05 -0.04 2.28 1.95 1mx5A1 PRO 1024 HB3 -0.14 0.06 -0.01 -0.04 2.02 1.89 1mx5A1 PRO 1024 HG2 -1.19 0.00 -0.19 -0.04 2.03 0.62 1mx5A1 PRO 1024 HG3 -2.55 0.09 -0.06 -0.04 2.03 -0.52 1mx5A1 PRO 1024 HD2 -0.50 0.11 -0.35 -0.04 3.68 2.90 1mx5A1 PRO 1024 HD3 -0.69 0.11 0.10 -0.04 3.65 3.13 1mx5A1 VAL 1025 H 0.06 0.19 0.10 -0.55 8.24 8.04 1mx5A1 VAL 1025 HA 0.16 0.35 1.09 -0.75 4.13 4.97 1mx5A1 VAL 1025 HB 0.05 -0.04 0.12 -0.04 2.12 2.22 1mx5A1 VAL 1025 HG13 0.08 -0.02 -0.25 -0.04 0.97 0.74 1mx5A1 VAL 1025 HG23 0.06 0.03 -0.23 -0.04 0.95 0.77 1mx5A1 VAL 1026 H 0.08 0.48 0.19 -0.55 8.24 8.45 1mx5A1 VAL 1026 HA -0.17 0.17 0.82 -0.75 4.13 4.19 1mx5A1 VAL 1026 HB -0.73 -0.03 0.01 -0.04 2.12 1.33 1mx5A1 VAL 1026 HG13 -1.16 0.02 -0.26 -0.04 0.97 -0.47 1mx5A1 VAL 1026 HG23 -0.44 0.00 -0.11 -0.04 0.95 0.36 1mx5A1 ASP 1027 H -0.16 0.22 0.17 -0.55 8.40 8.09 1mx5A1 ASP 1027 HA -0.01 0.05 0.76 -0.75 4.63 4.67 1mx5A1 ASP 1027 HB2 -0.04 -0.01 0.05 -0.04 2.71 2.67 1mx5A1 ASP 1027 HB3 -0.08 0.01 0.11 -0.04 2.70 2.69 1mx5A1 THR 1028 H 0.01 0.39 0.02 -0.55 8.28 8.14 1mx5A1 THR 1028 HA -0.10 0.24 0.90 -0.75 4.39 4.67 1mx5A1 THR 1028 HB 0.06 -0.07 0.12 -0.04 4.32 4.39 1mx5A1 THR 1028 HG23 0.36 0.03 -0.18 -0.04 1.22 1.39 1mx5A1 VAL 1029 H -0.24 0.19 0.13 -0.55 8.24 7.77 1mx5A1 VAL 1029 HA -0.19 0.08 0.39 -0.75 4.13 3.66 1mx5A1 VAL 1029 HB -0.54 -0.02 0.10 -0.04 2.12 1.62 1mx5A1 VAL 1029 HG13 -0.21 0.00 -0.09 -0.04 0.97 0.63 1mx5A1 VAL 1029 HG23 -0.25 0.01 0.06 -0.04 0.95 0.74 1mx5A1 HIS 1030 H -0.31 0.08 -0.13 -0.55 8.41 7.50 1mx5A1 HIS 1030 HA -0.37 0.15 0.66 -0.75 4.63 4.32 1mx5A1 HIS 1030 HB2 -0.57 0.03 -0.05 -0.04 3.26 2.64 1mx5A1 HIS 1030 HB3 -0.58 0.01 0.02 -0.04 3.20 2.60 1mx5A1 HIS 1030 HD2 0.38 0.06 -0.08 -0.04 6.97 7.28 1mx5A1 HIS 1030 HE1 0.02 -0.05 -0.07 -0.04 7.75 7.61 1mx5A1 GLY 1031 H -0.38 0.20 -0.50 -0.55 8.43 7.20 1mx5A1 GLY 1031 HA2 -0.37 0.01 0.29 -0.51 4.01 3.44 1mx5A1 GLY 1031 HA3 -1.38 0.25 0.82 -0.51 4.01 3.19 1mx5A1 LYS 1032 H 0.15 0.21 0.15 -0.55 8.42 8.37 1mx5A1 LYS 1032 HA 0.17 0.14 0.70 -0.75 4.32 4.57 1mx5A1 LYS 1032 HB2 0.23 -0.01 0.02 -0.04 1.87 2.07 1mx5A1 LYS 1032 HB3 0.15 0.05 -0.09 -0.04 1.79 1.86 1mx5A1 LYS 1032 HG2 0.05 0.02 -0.07 -0.04 1.46 1.43 1mx5A1 LYS 1032 HG3 0.07 -0.03 0.02 -0.04 1.46 1.48 1mx5A1 LYS 1032 HD2 0.12 -0.05 -0.15 -0.04 1.69 1.57 1mx5A1 LYS 1032 HD3 0.08 0.03 -0.11 -0.04 1.68 1.64 1mx5A1 LYS 1032 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.95 1mx5A1 LYS 1032 HE3 0.06 -0.05 -0.05 -0.04 2.99 2.91 1mx5A1 VAL 1033 H 0.21 0.75 0.36 -0.55 8.24 9.01 1mx5A1 VAL 1033 HA 0.25 0.23 1.07 -0.75 4.13 4.93 1mx5A1 VAL 1033 HB 0.37 -0.00 -0.08 -0.04 2.12 2.36 1mx5A1 VAL 1033 HG13 0.41 0.01 -0.15 -0.04 0.97 1.20 1mx5A1 VAL 1033 HG23 0.27 -0.03 0.03 -0.04 0.95 1.19 1mx5A1 LEU 1034 H 0.15 0.90 0.37 -0.55 8.37 9.25 1mx5A1 LEU 1034 HA 0.17 0.30 0.99 -0.75 4.35 5.06 1mx5A1 LEU 1034 HB2 0.08 -0.08 -0.10 -0.04 1.64 1.50 1mx5A1 LEU 1034 HB3 0.05 -0.09 0.06 -0.04 1.64 1.61 1mx5A1 LEU 1034 HG 0.01 -0.10 -0.07 -0.04 1.64 1.43 1mx5A1 LEU 1034 HD13 -0.05 0.01 -0.26 -0.04 0.93 0.59 1mx5A1 LEU 1034 HD23 -0.01 0.03 -0.14 -0.04 0.89 0.73 1mx5A1 GLY 1035 H -0.07 0.61 0.20 -0.55 8.43 8.62 1mx5A1 GLY 1035 HA2 -0.28 0.19 0.89 -0.51 4.01 4.30 1mx5A1 GLY 1035 HA3 -1.13 0.01 0.35 -0.51 4.01 2.72 1mx5A1 LYS 1036 H -0.57 0.49 0.34 -0.55 8.42 8.13 1mx5A1 LYS 1036 HA -0.31 0.11 0.73 -0.75 4.32 4.09 1mx5A1 LYS 1036 HB2 -0.10 0.02 0.15 -0.04 1.87 1.89 1mx5A1 LYS 1036 HB3 -0.17 0.03 -0.18 -0.04 1.79 1.43 1mx5A1 LYS 1036 HG2 -0.19 0.03 0.02 -0.04 1.46 1.28 1mx5A1 LYS 1036 HG3 -0.12 -0.03 -0.24 -0.04 1.46 1.02 1mx5A1 LYS 1036 HD2 -0.04 0.07 -0.03 -0.04 1.69 1.64 1mx5A1 LYS 1036 HD3 -0.09 -0.02 -0.01 -0.04 1.68 1.52 1mx5A1 LYS 1036 HE2 -0.09 -0.01 -0.04 -0.04 2.99 2.81 1mx5A1 LYS 1036 HE3 -0.03 -0.01 -0.10 -0.04 2.99 2.81 1mx5A1 PHE 1037 H -0.03 0.19 0.17 -0.55 8.34 8.12 1mx5A1 PHE 1037 HA -0.04 0.27 0.78 -0.75 4.62 4.88 1mx5A1 PHE 1037 HB2 -0.01 0.03 0.08 -0.04 3.15 3.21 1mx5A1 PHE 1037 HB3 0.00 -0.03 -0.12 -0.04 3.06 2.87 1mx5A1 PHE 1037 HD2 0.01 0.08 -0.34 -0.04 7.28 6.98 1mx5A1 PHE 1037 HE2 0.04 0.10 -0.11 -0.04 7.38 7.37 1mx5A1 PHE 1037 HZ 0.05 -0.06 -0.06 -0.04 7.32 7.20 1mx5A1 VAL 1038 H 0.20 0.65 0.27 -0.55 8.24 8.81 1mx5A1 VAL 1038 HA 0.09 0.10 0.84 -0.75 4.13 4.40 1mx5A1 VAL 1038 HB 0.10 -0.00 0.09 -0.04 2.12 2.27 1mx5A1 VAL 1038 HG13 0.08 -0.00 -0.09 -0.04 0.97 0.91 1mx5A1 VAL 1038 HG23 0.04 -0.00 -0.24 -0.04 0.95 0.71 1mx5A1 SER 1039 H 0.07 0.13 0.14 -0.55 8.46 8.25 1mx5A1 SER 1039 HA 0.06 0.14 0.81 -0.75 4.49 4.74 1mx5A1 SER 1039 HB2 0.05 -0.07 0.06 -0.04 3.95 3.95 1mx5A1 SER 1039 HB3 0.05 0.09 -0.01 -0.04 3.93 4.02 1mx5A1 LEU 1040 H 0.10 0.33 0.14 -0.55 8.37 8.39 1mx5A1 LEU 1040 HA 0.10 0.13 0.89 -0.75 4.35 4.72 1mx5A1 LEU 1040 HB2 0.01 -0.00 -0.10 -0.04 1.64 1.51 1mx5A1 LEU 1040 HB3 -0.03 0.03 0.03 -0.04 1.64 1.63 1mx5A1 LEU 1040 HG 0.20 0.16 -0.22 -0.04 1.64 1.74 1mx5A1 LEU 1040 HD13 0.15 -0.03 0.06 -0.04 0.93 1.07 1mx5A1 LEU 1040 HD23 -0.16 -0.02 -0.09 -0.04 0.89 0.58 1mx5A1 GLU 1041 H 0.13 0.16 0.09 -0.55 8.60 8.44 1mx5A1 GLU 1041 HA 0.08 -0.04 0.36 -0.75 4.29 3.93 1mx5A1 GLU 1041 HB2 0.11 0.03 0.15 -0.04 2.09 2.34 1mx5A1 GLU 1041 HB3 0.16 0.04 0.11 -0.04 1.99 2.27 1mx5A1 GLU 1041 HG2 0.08 -0.00 -0.03 -0.04 2.34 2.35 1mx5A1 GLU 1041 HG3 0.05 -0.02 -0.01 -0.04 2.34 2.32 1mx5A1 GLY 1042 H 0.01 0.05 0.18 -0.55 8.43 8.13 1mx5A1 GLY 1042 HA2 -0.17 -0.07 0.32 -0.51 4.01 3.58 1mx5A1 GLY 1042 HA3 -0.27 0.18 0.72 -0.51 4.01 4.14 1mx5A1 PHE 1043 H 0.13 0.43 0.04 -0.55 8.34 8.39 1mx5A1 PHE 1043 HA -0.06 0.08 0.86 -0.75 4.62 4.75 1mx5A1 PHE 1043 HB2 -0.05 -0.03 0.04 -0.04 3.15 3.07 1mx5A1 PHE 1043 HB3 -0.05 0.07 -0.03 -0.04 3.06 3.01 1mx5A1 PHE 1043 HD2 -0.12 0.05 -0.28 -0.04 7.28 6.89 1mx5A1 PHE 1043 HE2 -0.43 0.06 -0.09 -0.04 7.38 6.88 1mx5A1 PHE 1043 HZ -0.97 -0.05 -0.07 -0.04 7.32 6.19 1mx5A1 ALA 1044 H 0.01 0.13 0.07 -0.55 8.40 8.06 1mx5A1 ALA 1044 HA 0.00 0.03 0.41 -0.75 4.34 4.03 1mx5A1 ALA 1044 HB3 -0.01 -0.02 0.09 -0.04 1.41 1.43 1mx5A1 GLN 1045 H 0.04 0.03 0.00 -0.55 8.47 7.99 1mx5A1 GLN 1045 HA -0.04 0.04 0.41 -0.75 4.36 4.01 1mx5A1 GLN 1045 HB2 0.01 -0.11 0.10 -0.04 2.15 2.12 1mx5A1 GLN 1045 HB3 0.05 -0.03 0.13 -0.04 2.02 2.13 1mx5A1 GLN 1045 HG2 0.04 0.09 -0.03 -0.04 2.40 2.46 1mx5A1 GLN 1045 HG3 0.03 0.21 -0.34 -0.04 2.39 2.25 1mx5A1 GLN 1045 HE21 -0.14 -0.19 -0.03 -0.04 6.97 6.57 1mx5A1 GLN 1045 HE22 -0.05 0.65 -0.05 -0.04 7.69 8.19 1mx5A1 PRO 1046 HA 0.03 0.02 0.46 -0.51 4.44 4.43 1mx5A1 PRO 1046 HB2 0.01 -0.04 -0.20 -0.04 2.28 2.00 1mx5A1 PRO 1046 HB3 -0.06 -0.02 -0.04 -0.04 2.02 1.86 1mx5A1 PRO 1046 HG2 -0.65 0.02 -0.05 -0.04 2.03 1.31 1mx5A1 PRO 1046 HG3 -0.52 -0.00 -0.01 -0.04 2.03 1.46 1mx5A1 PRO 1046 HD2 -0.19 -0.02 0.21 -0.04 3.68 3.63 1mx5A1 PRO 1046 HD3 -0.13 0.25 0.26 -0.04 3.65 3.99 1mx5A1 VAL 1047 H 0.10 0.57 0.29 -0.55 8.24 8.65 1mx5A1 VAL 1047 HA 0.16 0.26 0.74 -0.75 4.13 4.53 1mx5A1 VAL 1047 HB 0.12 -0.02 0.12 -0.04 2.12 2.31 1mx5A1 VAL 1047 HG13 0.19 -0.01 -0.42 -0.04 0.97 0.68 1mx5A1 VAL 1047 HG23 0.02 0.01 -0.05 -0.04 0.95 0.89 1mx5A1 ALA 1048 H 0.25 0.63 0.27 -0.55 8.40 9.01 1mx5A1 ALA 1048 HA -0.04 0.11 0.65 -0.75 4.34 4.31 1mx5A1 ALA 1048 HB3 0.21 -0.00 0.09 -0.04 1.41 1.67 1mx5A1 ILE 1049 H -0.27 0.80 0.41 -0.55 8.25 8.64 1mx5A1 ILE 1049 HA -0.18 0.28 1.17 -0.75 4.18 4.69 1mx5A1 ILE 1049 HB -0.18 0.02 0.16 -0.04 1.89 1.85 1mx5A1 ILE 1049 HG12 0.09 -0.04 -0.10 -0.04 1.49 1.41 1mx5A1 ILE 1049 HG13 0.05 0.11 -0.25 -0.04 1.21 1.07 1mx5A1 ILE 1049 HG23 -0.46 -0.01 -0.17 -0.04 0.93 0.25 1mx5A1 ILE 1049 HD13 0.16 -0.03 -0.06 -0.04 0.88 0.92 1mx5A1 PHE 1050 H -0.00 0.61 0.32 -0.55 8.34 8.71 1mx5A1 PHE 1050 HA -0.08 0.25 1.06 -0.75 4.62 5.10 1mx5A1 PHE 1050 HB2 -0.05 -0.09 0.15 -0.04 3.15 3.12 1mx5A1 PHE 1050 HB3 0.04 0.04 -0.03 -0.04 3.06 3.07 1mx5A1 PHE 1050 HD2 0.13 0.04 -0.26 -0.04 7.28 7.15 1mx5A1 PHE 1050 HE2 0.13 0.10 -0.17 -0.04 7.38 7.40 1mx5A1 PHE 1050 HZ -0.00 -0.05 -0.21 -0.04 7.32 7.02 1mx5A1 LEU 1051 H -0.10 1.02 0.29 -0.55 8.37 9.03 1mx5A1 LEU 1051 HA -0.09 0.04 1.05 -0.75 4.35 4.59 1mx5A1 LEU 1051 HB2 -0.27 -0.03 -0.31 -0.04 1.64 1.00 1mx5A1 LEU 1051 HB3 -0.28 0.01 -0.31 -0.04 1.64 1.02 1mx5A1 LEU 1051 HG -0.29 0.04 -0.29 -0.04 1.64 1.06 1mx5A1 LEU 1051 HD13 -0.88 -0.00 -0.26 -0.04 0.93 -0.25 1mx5A1 LEU 1051 HD23 -0.13 0.00 -0.16 -0.04 0.89 0.56 1mx5A1 GLY 1052 H -0.03 0.09 0.09 -0.55 8.43 8.02 1mx5A1 GLY 1052 HA2 -0.11 -0.08 0.26 -0.51 4.01 3.57 1mx5A1 GLY 1052 HA3 -0.22 0.13 0.41 -0.51 4.01 3.81 1mx5A1 ILE 1053 H 0.01 0.44 0.10 -0.55 8.25 8.26 1mx5A1 ILE 1053 HA 0.03 0.18 0.60 -0.75 4.18 4.24 1mx5A1 ILE 1053 HB -0.21 0.00 0.05 -0.04 1.89 1.70 1mx5A1 ILE 1053 HG12 0.15 0.04 -0.15 -0.04 1.49 1.49 1mx5A1 ILE 1053 HG13 0.06 -0.05 -0.27 -0.04 1.21 0.91 1mx5A1 ILE 1053 HG23 0.04 0.02 -0.22 -0.04 0.93 0.73 1mx5A1 ILE 1053 HD13 0.09 -0.01 -0.12 -0.04 0.88 0.79 1mx5A1 PRO 1054 HA -0.44 0.12 0.62 -0.51 4.44 4.23 1mx5A1 PRO 1054 HB2 -0.17 0.04 0.00 -0.04 2.28 2.11 1mx5A1 PRO 1054 HB3 -0.28 -0.00 0.05 -0.04 2.02 1.74 1mx5A1 PRO 1054 HG2 0.21 0.01 0.09 -0.04 2.03 2.30 1mx5A1 PRO 1054 HG3 -0.14 0.03 0.04 -0.04 2.03 1.92 1mx5A1 PRO 1054 HD2 -0.07 0.05 0.20 -0.04 3.68 3.82 1mx5A1 PRO 1054 HD3 0.03 0.27 0.20 -0.04 3.65 4.11 1mx5A1 PHE 1055 H -0.54 0.49 0.29 -0.55 8.34 8.02 1mx5A1 PHE 1055 HA -0.33 0.18 0.84 -0.75 4.62 4.56 1mx5A1 PHE 1055 HB2 -0.24 -0.02 0.07 -0.04 3.15 2.93 1mx5A1 PHE 1055 HB3 -0.65 0.01 -0.10 -0.04 3.06 2.28 1mx5A1 PHE 1055 HD2 -0.08 -0.04 -0.37 -0.04 7.28 6.75 1mx5A1 PHE 1055 HE2 0.01 0.05 -0.02 -0.04 7.38 7.38 1mx5A1 PHE 1055 HZ 0.04 0.02 0.04 -0.04 7.32 7.38 1mx5A1 ALA 1056 H -0.43 0.23 0.03 -0.55 8.40 7.69 1mx5A1 ALA 1056 HA -0.03 0.03 0.43 -0.75 4.34 4.02 1mx5A1 ALA 1056 HB3 -0.24 0.03 -0.09 -0.04 1.41 1.07 1mx5A1 LYS 1057 H -0.08 0.76 -0.02 -0.55 8.42 8.52 1mx5A1 LYS 1057 HA -0.11 0.02 0.49 -0.75 4.32 3.96 1mx5A1 LYS 1057 HB2 -0.05 0.25 -0.02 -0.04 1.87 2.00 1mx5A1 LYS 1057 HB3 -0.07 -0.08 0.02 -0.04 1.79 1.63 1mx5A1 LYS 1057 HG2 -0.07 0.09 -0.15 -0.04 1.46 1.29 1mx5A1 LYS 1057 HG3 -0.05 -0.07 0.06 -0.04 1.46 1.36 1mx5A1 LYS 1057 HD2 -0.04 0.07 -0.02 -0.04 1.69 1.66 1mx5A1 LYS 1057 HD3 -0.04 -0.01 -0.05 -0.04 1.68 1.53 1mx5A1 LYS 1057 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 1mx5A1 LYS 1057 HE3 -0.03 -0.03 0.00 -0.04 2.99 2.89 1mx5A1 PRO 1058 HA -0.19 0.03 0.41 -0.51 4.44 4.18 1mx5A1 PRO 1058 HB2 -0.08 -0.04 0.12 -0.04 2.28 2.24 1mx5A1 PRO 1058 HB3 -0.10 -0.06 0.05 -0.04 2.02 1.87 1mx5A1 PRO 1058 HG2 -0.07 0.02 0.09 -0.04 2.03 2.03 1mx5A1 PRO 1058 HG3 -0.16 0.06 0.09 -0.04 2.03 1.99 1mx5A1 PRO 1058 HD2 -0.08 0.06 0.21 -0.04 3.68 3.82 1mx5A1 PRO 1058 HD3 -0.13 0.20 0.28 -0.04 3.65 3.96 1mx5A1 PRO 1059 HA -0.10 0.16 0.38 -0.51 4.44 4.37 1mx5A1 PRO 1059 HB2 -0.10 -0.02 0.12 -0.04 2.28 2.24 1mx5A1 PRO 1059 HB3 -0.10 0.10 0.10 -0.04 2.02 2.08 1mx5A1 PRO 1059 HG2 -0.10 0.02 0.08 -0.04 2.03 1.99 1mx5A1 PRO 1059 HG3 -0.09 -0.06 0.11 -0.04 2.03 1.95 1mx5A1 PRO 1059 HD2 -0.16 -0.06 0.24 -0.04 3.68 3.66 1mx5A1 PRO 1059 HD3 -0.17 0.20 0.18 -0.04 3.65 3.82 1mx5A1 LEU 1060 H -0.08 0.71 -0.09 -0.55 8.37 8.36 1mx5A1 LEU 1060 HA -0.06 0.14 0.69 -0.75 4.35 4.36 1mx5A1 LEU 1060 HB2 -0.05 0.06 -0.03 -0.04 1.64 1.58 1mx5A1 LEU 1060 HB3 -0.05 -0.09 0.08 -0.04 1.64 1.55 1mx5A1 LEU 1060 HG -0.07 0.01 -0.31 -0.04 1.64 1.22 1mx5A1 LEU 1060 HD13 -0.05 -0.00 -0.03 -0.04 0.93 0.81 1mx5A1 LEU 1060 HD23 -0.07 -0.00 -0.31 -0.04 0.89 0.47 1mx5A1 GLY 1061 H -0.05 0.08 0.14 -0.55 8.43 8.05 1mx5A1 GLY 1061 HA2 -0.05 0.09 0.37 -0.51 4.01 3.91 1mx5A1 GLY 1061 HA3 -0.04 0.06 0.40 -0.51 4.01 3.92 1mx5A1 PRO 1062 HA -0.03 0.12 0.48 -0.51 4.44 4.50 1mx5A1 PRO 1062 HB2 -0.01 0.04 0.06 -0.04 2.28 2.33 1mx5A1 PRO 1062 HB3 -0.00 -0.03 0.11 -0.04 2.02 2.05 1mx5A1 PRO 1062 HG2 -0.03 0.10 -0.01 -0.04 2.03 2.05 1mx5A1 PRO 1062 HG3 -0.02 -0.02 0.05 -0.04 2.03 2.01 1mx5A1 PRO 1062 HD2 -0.03 0.12 0.22 -0.04 3.68 3.95 1mx5A1 PRO 1062 HD3 -0.02 0.05 0.18 -0.04 3.65 3.81 1mx5A1 LEU 1063 H -0.08 0.48 -0.49 -0.55 8.37 7.73 1mx5A1 LEU 1063 HA -0.11 0.12 0.48 -0.75 4.35 4.09 1mx5A1 LEU 1063 HB2 -0.09 0.11 -0.07 -0.04 1.64 1.55 1mx5A1 LEU 1063 HB3 -0.11 -0.03 -0.00 -0.04 1.64 1.46 1mx5A1 LEU 1063 HG -0.06 -0.06 -0.06 -0.04 1.64 1.43 1mx5A1 LEU 1063 HD13 -0.06 0.00 -0.05 -0.04 0.93 0.78 1mx5A1 LEU 1063 HD23 -0.06 0.02 -0.10 -0.04 0.89 0.71 1mx5A1 ARG 1064 H -0.17 0.28 -0.52 -0.55 8.46 7.50 1mx5A1 ARG 1064 HA -0.32 0.02 0.44 -0.75 4.34 3.72 1mx5A1 ARG 1064 HB2 -0.26 -0.01 0.05 -0.04 1.90 1.64 1mx5A1 ARG 1064 HB3 -0.38 0.06 0.01 -0.04 1.80 1.45 1mx5A1 ARG 1064 HG2 -2.15 0.01 -0.16 -0.04 1.67 -0.67 1mx5A1 ARG 1064 HG3 -0.58 -0.08 0.07 -0.04 1.67 1.04 1mx5A1 ARG 1064 HD2 -0.54 0.07 -0.07 -0.04 3.22 2.64 1mx5A1 ARG 1064 HD3 -1.01 -0.08 -0.09 -0.04 3.22 2.00 1mx5A1 PHE 1065 H -0.57 0.13 0.20 -0.55 8.34 7.54 1mx5A1 PHE 1065 HA -1.38 -0.03 0.31 -0.75 4.62 2.77 1mx5A1 PHE 1065 HB2 -0.21 0.28 0.08 -0.04 3.15 3.26 1mx5A1 PHE 1065 HB3 -0.02 -0.10 0.17 -0.04 3.06 3.08 1mx5A1 PHE 1065 HD2 0.01 0.07 -0.08 -0.04 7.28 7.24 1mx5A1 PHE 1065 HE2 -0.19 0.14 -0.17 -0.04 7.38 7.12 1mx5A1 PHE 1065 HZ -0.53 -0.05 -0.13 -0.04 7.32 6.56 1mx5A1 THR 1066 H -0.79 0.32 -0.06 -0.55 8.28 7.20 1mx5A1 THR 1066 HA -0.95 0.06 0.67 -0.75 4.39 3.41 1mx5A1 THR 1066 HB -0.16 -0.09 0.07 -0.04 4.32 4.10 1mx5A1 THR 1066 HG23 -0.19 0.05 -0.43 -0.04 1.22 0.61 1mx5A1 PRO 1067 HA 0.29 0.01 0.40 -0.51 4.44 4.63 1mx5A1 PRO 1067 HB2 0.10 0.05 -0.02 -0.04 2.28 2.37 1mx5A1 PRO 1067 HB3 0.18 0.02 0.08 -0.04 2.02 2.26 1mx5A1 PRO 1067 HG2 0.19 0.01 0.05 -0.04 2.03 2.24 1mx5A1 PRO 1067 HG3 0.44 -0.02 0.04 -0.04 2.03 2.45 1mx5A1 PRO 1067 HD2 0.03 0.12 0.14 -0.04 3.68 3.93 1mx5A1 PRO 1067 HD3 0.11 0.09 0.18 -0.04 3.65 3.99 1mx5A1 PRO 1068 HA -0.00 0.09 0.52 -0.51 4.44 4.54 1mx5A1 PRO 1068 HB2 0.08 0.07 -0.03 -0.04 2.28 2.35 1mx5A1 PRO 1068 HB3 0.08 -0.03 0.08 -0.04 2.02 2.10 1mx5A1 PRO 1068 HG2 0.14 0.04 0.01 -0.04 2.03 2.18 1mx5A1 PRO 1068 HG3 0.18 0.05 -0.24 -0.04 2.03 1.99 1mx5A1 PRO 1068 HD2 0.17 0.03 0.16 -0.04 3.68 3.99 1mx5A1 PRO 1068 HD3 0.19 0.10 0.11 -0.04 3.65 4.01 1mx5A1 GLN 1069 H -0.02 0.15 0.18 -0.55 8.47 8.24 1mx5A1 GLN 1069 HA 0.04 0.23 0.91 -0.75 4.36 4.79 1mx5A1 GLN 1069 HB2 -0.02 -0.04 0.07 -0.04 2.15 2.12 1mx5A1 GLN 1069 HB3 -0.00 0.08 0.00 -0.04 2.02 2.06 1mx5A1 GLN 1069 HG2 0.02 -0.00 -0.00 -0.04 2.40 2.37 1mx5A1 GLN 1069 HG3 0.00 0.10 -0.21 -0.04 2.39 2.24 1mx5A1 GLN 1069 HE21 -0.01 -0.06 -0.03 -0.04 6.97 6.82 1mx5A1 GLN 1069 HE22 -0.01 0.05 -0.02 -0.04 7.69 7.67 1mx5A1 PRO 1070 HA 0.14 0.09 0.37 -0.51 4.44 4.54 1mx5A1 PRO 1070 HB2 0.03 0.01 -0.06 -0.04 2.28 2.22 1mx5A1 PRO 1070 HB3 0.15 0.06 0.04 -0.04 2.02 2.22 1mx5A1 PRO 1070 HG2 0.06 0.01 0.05 -0.04 2.03 2.11 1mx5A1 PRO 1070 HG3 0.10 0.07 0.07 -0.04 2.03 2.23 1mx5A1 PRO 1070 HD2 0.03 0.07 0.15 -0.04 3.68 3.89 1mx5A1 PRO 1070 HD3 0.05 0.18 0.23 -0.04 3.65 4.08 1mx5A1 ALA 1071 H 0.11 0.17 -0.03 -0.55 8.40 8.10 1mx5A1 ALA 1071 HA -0.06 0.00 0.29 -0.75 4.34 3.82 1mx5A1 ALA 1071 HB3 0.08 0.00 -0.22 -0.04 1.41 1.24 1mx5A1 GLU 1072 H -0.04 0.03 0.10 -0.55 8.60 8.14 1mx5A1 GLU 1072 HA -0.11 0.08 0.44 -0.75 4.29 3.94 1mx5A1 GLU 1072 HB2 0.03 -0.06 0.08 -0.04 2.09 2.09 1mx5A1 GLU 1072 HB3 0.00 0.09 0.05 -0.04 1.99 2.10 1mx5A1 GLU 1072 HG2 -0.02 -0.03 0.07 -0.04 2.34 2.31 1mx5A1 GLU 1072 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.28 1mx5A1 PRO 1073 HA -0.30 0.16 0.64 -0.51 4.44 4.42 1mx5A1 PRO 1073 HB2 -0.17 0.07 0.04 -0.04 2.28 2.18 1mx5A1 PRO 1073 HB3 -0.08 0.00 0.14 -0.04 2.02 2.05 1mx5A1 PRO 1073 HG2 -0.06 -0.03 0.05 -0.04 2.03 1.95 1mx5A1 PRO 1073 HG3 -0.05 -0.01 0.06 -0.04 2.03 1.99 1mx5A1 PRO 1073 HD2 -0.06 -0.01 0.22 -0.04 3.68 3.80 1mx5A1 PRO 1073 HD3 -0.12 0.16 0.18 -0.04 3.65 3.84 1mx5A1 TRP 1074 H -0.77 0.75 0.39 -0.55 7.97 7.79 1mx5A1 TRP 1074 HA -0.03 0.08 0.95 -0.75 4.62 4.87 1mx5A1 TRP 1074 HB2 0.02 -0.02 0.07 -0.04 3.23 3.26 1mx5A1 TRP 1074 HB3 0.02 -0.00 -0.07 -0.04 3.23 3.13 1mx5A1 TRP 1074 HD1 0.06 0.29 -0.34 -0.04 7.22 7.19 1mx5A1 TRP 1074 HE1 0.10 0.29 -0.20 -0.04 10.20 10.35 1mx5A1 TRP 1074 HE3 0.05 0.12 -0.06 -0.04 7.59 7.65 1mx5A1 TRP 1074 HZ2 0.19 0.05 -0.35 -0.04 7.44 7.29 1mx5A1 TRP 1074 HZ3 0.15 0.03 -0.09 -0.04 7.13 7.17 1mx5A1 TRP 1074 HH2 0.29 -0.00 -0.12 -0.04 7.19 7.32 1mx5A1 SER 1075 H 0.09 0.06 0.15 -0.55 8.46 8.21 1mx5A1 SER 1075 HA -0.18 0.13 0.70 -0.75 4.49 4.39 1mx5A1 SER 1075 HB2 -0.78 -0.01 0.01 -0.04 3.95 3.12 1mx5A1 SER 1075 HB3 -0.90 -0.07 0.13 -0.04 3.93 3.04 1mx5A1 PHE 1076 H -0.26 0.04 0.14 -0.55 8.34 7.71 1mx5A1 PHE 1076 HA 0.09 -0.01 0.33 -0.75 4.62 4.28 1mx5A1 PHE 1076 HB2 0.11 0.22 -0.11 -0.04 3.15 3.34 1mx5A1 PHE 1076 HB3 0.08 -0.09 0.17 -0.04 3.06 3.17 1mx5A1 PHE 1076 HD2 0.06 0.05 -0.04 -0.04 7.28 7.31 1mx5A1 PHE 1076 HE2 0.04 0.00 -0.01 -0.04 7.38 7.37 1mx5A1 PHE 1076 HZ 0.03 -0.01 -0.01 -0.04 7.32 7.30 1mx5A1 VAL 1077 H 0.28 0.07 0.13 -0.55 8.24 8.17 1mx5A1 VAL 1077 HA 0.30 0.25 0.86 -0.75 4.13 4.78 1mx5A1 VAL 1077 HB 0.12 -0.05 0.06 -0.04 2.12 2.20 1mx5A1 VAL 1077 HG13 0.12 0.00 -0.40 -0.04 0.97 0.66 1mx5A1 VAL 1077 HG23 0.14 -0.02 -0.14 -0.04 0.95 0.89 1mx5A1 LYS 1078 H 0.27 0.91 0.27 -0.55 8.42 9.31 1mx5A1 LYS 1078 HA -0.11 0.04 0.69 -0.75 4.32 4.19 1mx5A1 LYS 1078 HB2 -1.08 0.03 0.04 -0.04 1.87 0.82 1mx5A1 LYS 1078 HB3 -0.22 0.05 0.18 -0.04 1.79 1.76 1mx5A1 LYS 1078 HG2 -0.24 0.00 -0.43 -0.04 1.46 0.75 1mx5A1 LYS 1078 HG3 -0.40 -0.05 -0.02 -0.04 1.46 0.94 1mx5A1 LYS 1078 HD2 -0.75 -0.02 -0.06 -0.04 1.69 0.81 1mx5A1 LYS 1078 HD3 -0.44 0.08 -0.03 -0.04 1.68 1.25 1mx5A1 LYS 1078 HE2 -3.00 0.02 -0.06 -0.04 2.99 -0.09 1mx5A1 LYS 1078 HE3 -1.56 0.02 -0.03 -0.04 2.99 1.37 1mx5A1 ASN 1079 H -0.06 0.15 0.19 -0.55 8.53 8.26 1mx5A1 ASN 1079 HA -0.01 0.12 0.58 -0.75 4.76 4.70 1mx5A1 ASN 1079 HB2 -0.04 -0.01 0.23 -0.04 2.88 3.02 1mx5A1 ASN 1079 HB3 -0.06 -0.06 0.22 -0.04 2.79 2.84 1mx5A1 ASN 1079 HD21 -0.04 -0.00 0.00 -0.04 7.03 6.96 1mx5A1 ASN 1079 HD22 -0.05 -0.04 0.03 -0.04 7.74 7.65 1mx5A1 ALA 1080 H 0.04 0.69 0.36 -0.55 8.40 8.94 1mx5A1 ALA 1080 HA -0.07 0.22 0.79 -0.75 4.34 4.53 1mx5A1 ALA 1080 HB3 0.13 -0.02 0.00 -0.04 1.41 1.48 1mx5A1 THR 1081 H -0.11 0.26 -0.32 -0.55 8.28 7.56 1mx5A1 THR 1081 HA -0.19 0.20 1.03 -0.75 4.39 4.68 1mx5A1 THR 1081 HB -0.12 -0.04 0.11 -0.04 4.32 4.22 1mx5A1 THR 1081 HG23 -0.13 0.03 -0.21 -0.04 1.22 0.86 1mx5A1 SER 1082 H -0.17 0.30 0.01 -0.55 8.46 8.05 1mx5A1 SER 1082 HA -0.20 0.16 0.91 -0.75 4.49 4.61 1mx5A1 SER 1082 HB2 -0.13 0.03 -0.01 -0.04 3.95 3.80 1mx5A1 SER 1082 HB3 -0.09 0.03 -0.00 -0.04 3.93 3.83 1mx5A1 TYR 1083 H -0.07 0.09 0.06 -0.55 8.29 7.83 1mx5A1 TYR 1083 HA -0.08 0.06 0.41 -0.75 4.56 4.19 1mx5A1 TYR 1083 HB2 -0.06 -0.03 0.07 -0.04 3.06 3.00 1mx5A1 TYR 1083 HB3 -0.06 0.06 -0.04 -0.04 2.98 2.90 1mx5A1 TYR 1083 HD2 -0.02 -0.01 -0.01 -0.04 7.15 7.07 1mx5A1 TYR 1083 HE2 0.03 0.00 -0.05 -0.04 6.85 6.79 1mx5A1 PRO 1084 HA -0.31 0.14 0.48 -0.51 4.44 4.25 1mx5A1 PRO 1084 HB2 -0.30 0.14 -0.00 -0.04 2.28 2.07 1mx5A1 PRO 1084 HB3 -0.64 0.02 0.04 -0.04 2.02 1.39 1mx5A1 PRO 1084 HG2 0.00 -0.02 -0.06 -0.04 2.03 1.92 1mx5A1 PRO 1084 HG3 0.01 -0.05 -0.05 -0.04 2.03 1.89 1mx5A1 PRO 1084 HD2 0.15 -0.01 0.15 -0.04 3.68 3.93 1mx5A1 PRO 1084 HD3 -0.07 0.15 0.12 -0.04 3.65 3.81 1mx5A1 PRO 1085 HA -0.07 0.01 0.47 -0.51 4.44 4.34 1mx5A1 PRO 1085 HB2 -0.06 0.02 -0.25 -0.04 2.28 1.96 1mx5A1 PRO 1085 HB3 -0.08 -0.01 -0.28 -0.04 2.02 1.61 1mx5A1 PRO 1085 HG2 -0.06 0.06 -0.00 -0.04 2.03 1.99 1mx5A1 PRO 1085 HG3 -0.10 -0.01 -0.02 -0.04 2.03 1.87 1mx5A1 PRO 1085 HD2 -0.18 0.14 0.15 -0.04 3.68 3.75 1mx5A1 PRO 1085 HD3 -0.31 0.11 0.17 -0.04 3.65 3.58 1mx5A1 MET 1086 H -0.08 0.60 0.25 -0.55 8.47 8.70 1mx5A1 MET 1086 HA -0.07 0.09 0.82 -0.75 4.52 4.60 1mx5A1 MET 1086 HB2 -0.10 0.15 0.06 -0.04 2.15 2.22 1mx5A1 MET 1086 HB3 -0.09 -0.07 -0.04 -0.04 2.03 1.79 1mx5A1 MET 1086 HG2 -0.08 0.04 -0.20 -0.04 2.63 2.34 1mx5A1 MET 1086 HG3 -0.09 0.06 -0.27 -0.04 2.56 2.22 1mx5A1 MET 1086 HE3 -0.06 -0.01 -0.18 -0.04 2.10 1.82 1mx5A1 CYS 1087 H -0.09 0.11 0.05 -0.55 8.50 8.01 1mx5A1 CYS 1087 HA -0.21 0.29 0.36 -0.75 4.58 4.26 1mx5A1 CYS 1087 HB2 -0.11 0.05 -0.02 -0.04 2.97 2.85 1mx5A1 CYS 1087 HB3 -0.18 -0.08 -0.00 -0.04 2.97 2.67 1mx5A1 THR 1088 H -0.56 0.10 -0.04 -0.55 8.28 7.23 1mx5A1 THR 1088 HA -0.32 -0.04 0.30 -0.75 4.39 3.57 1mx5A1 THR 1088 HB -2.29 0.01 -0.03 -0.04 4.32 1.97 1mx5A1 THR 1088 HG23 -0.27 0.01 -0.07 -0.04 1.22 0.84 1mx5A1 GLN 1089 H -0.10 0.25 0.21 -0.55 8.47 8.28 1mx5A1 GLN 1089 HA 0.12 0.08 0.46 -0.75 4.36 4.26 1mx5A1 GLN 1089 HB2 0.04 -0.13 0.16 -0.04 2.15 2.17 1mx5A1 GLN 1089 HB3 0.02 0.28 0.03 -0.04 2.02 2.31 1mx5A1 GLN 1089 HG2 -0.08 0.31 -0.25 -0.04 2.40 2.34 1mx5A1 GLN 1089 HG3 -0.03 -0.12 -0.38 -0.04 2.39 1.82 1mx5A1 GLN 1089 HE21 -0.07 0.45 0.06 -0.04 6.97 7.37 1mx5A1 GLN 1089 HE22 -0.08 0.30 -0.15 -0.04 7.69 7.73 1mx5A1 ASP 1090 H 0.08 0.22 0.10 -0.55 8.40 8.26 1mx5A1 ASP 1090 HA 0.06 0.14 0.50 -0.75 4.63 4.57 1mx5A1 ASP 1090 HB2 0.09 0.15 0.14 -0.04 2.71 3.05 1mx5A1 ASP 1090 HB3 0.05 -0.10 0.20 -0.04 2.70 2.81 1mx5A1 PRO 1091 HA -0.02 0.09 0.37 -0.51 4.44 4.37 1mx5A1 PRO 1091 HB2 -0.01 0.05 0.03 -0.04 2.28 2.30 1mx5A1 PRO 1091 HB3 -0.02 0.06 0.14 -0.04 2.02 2.17 1mx5A1 PRO 1091 HG2 0.01 -0.05 0.11 -0.04 2.03 2.06 1mx5A1 PRO 1091 HG3 0.00 0.07 0.11 -0.04 2.03 2.18 1mx5A1 PRO 1091 HD2 0.03 0.04 0.30 -0.04 3.68 4.00 1mx5A1 PRO 1091 HD3 0.02 0.29 0.35 -0.04 3.65 4.27 1mx5A1 LYS 1092 H 0.01 0.11 -0.21 -0.55 8.42 7.78 1mx5A1 LYS 1092 HA -0.01 0.14 0.51 -0.75 4.32 4.21 1mx5A1 LYS 1092 HB2 0.01 -0.03 0.10 -0.04 1.87 1.90 1mx5A1 LYS 1092 HB3 0.00 0.06 -0.02 -0.04 1.79 1.80 1mx5A1 LYS 1092 HG2 0.00 0.04 0.00 -0.04 1.46 1.46 1mx5A1 LYS 1092 HG3 0.00 -0.04 0.03 -0.04 1.46 1.41 1mx5A1 LYS 1092 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 1mx5A1 LYS 1092 HD3 0.01 0.03 0.00 -0.04 1.68 1.67 1mx5A1 LYS 1092 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 1mx5A1 LYS 1092 HE3 0.01 -0.01 0.01 -0.04 2.99 2.95 1mx5A1 ALA 1093 H 0.01 0.08 -0.08 -0.55 8.40 7.86 1mx5A1 ALA 1093 HA -0.02 0.09 0.39 -0.75 4.34 4.04 1mx5A1 ALA 1093 HB3 0.01 0.04 0.07 -0.04 1.41 1.49 1mx5A1 GLY 1094 H -0.00 0.73 -0.17 -0.55 8.43 8.43 1mx5A1 GLY 1094 HA2 -0.02 -0.09 0.32 -0.51 4.01 3.71 1mx5A1 GLY 1094 HA3 -0.03 0.12 0.20 -0.51 4.01 3.80 1mx5A1 GLN 1095 H -0.03 0.50 -0.24 -0.55 8.47 8.16 1mx5A1 GLN 1095 HA -0.05 0.01 0.43 -0.75 4.36 4.00 1mx5A1 GLN 1095 HB2 -0.03 0.03 0.14 -0.04 2.15 2.24 1mx5A1 GLN 1095 HB3 -0.02 0.09 0.19 -0.04 2.02 2.23 1mx5A1 GLN 1095 HG2 -0.02 -0.01 -0.26 -0.04 2.40 2.07 1mx5A1 GLN 1095 HG3 -0.04 -0.04 0.00 -0.04 2.39 2.28 1mx5A1 GLN 1095 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.88 1mx5A1 GLN 1095 HE22 -0.01 -0.01 -0.06 -0.04 7.69 7.57 1mx5A1 LEU 1096 H -0.03 0.68 -0.12 -0.55 8.37 8.36 1mx5A1 LEU 1096 HA -0.02 -0.00 0.38 -0.75 4.35 3.95 1mx5A1 LEU 1096 HB2 -0.02 0.03 0.11 -0.04 1.64 1.71 1mx5A1 LEU 1096 HB3 -0.04 0.10 0.20 -0.04 1.64 1.85 1mx5A1 LEU 1096 HG -0.06 -0.03 -0.23 -0.04 1.64 1.28 1mx5A1 LEU 1096 HD13 0.02 -0.02 0.03 -0.04 0.93 0.92 1mx5A1 LEU 1096 HD23 -0.04 -0.00 -0.03 -0.04 0.89 0.78 1mx5A1 LEU 1097 H -0.08 0.65 -0.11 -0.55 8.37 8.29 1mx5A1 LEU 1097 HA -0.24 -0.01 0.37 -0.75 4.35 3.71 1mx5A1 LEU 1097 HB2 -0.16 -0.01 0.05 -0.04 1.64 1.47 1mx5A1 LEU 1097 HB3 -0.10 0.12 0.08 -0.04 1.64 1.70 1mx5A1 LEU 1097 HG -0.22 0.02 -0.32 -0.04 1.64 1.08 1mx5A1 LEU 1097 HD13 -1.09 -0.02 -0.03 -0.04 0.93 -0.25 1mx5A1 LEU 1097 HD23 -0.00 -0.03 -0.15 -0.04 0.89 0.67 1mx5A1 SER 1098 H -0.07 0.54 -0.17 -0.55 8.46 8.22 1mx5A1 SER 1098 HA -0.08 -0.05 0.39 -0.75 4.49 4.00 1mx5A1 SER 1098 HB2 -0.07 0.00 0.09 -0.04 3.95 3.93 1mx5A1 SER 1098 HB3 -0.07 0.12 0.16 -0.04 3.93 4.09 1mx5A1 GLU 1099 H -0.04 0.68 -0.12 -0.55 8.60 8.57 1mx5A1 GLU 1099 HA -0.02 0.01 0.44 -0.75 4.29 3.97 1mx5A1 GLU 1099 HB2 0.01 0.09 0.12 -0.04 2.09 2.26 1mx5A1 GLU 1099 HB3 0.02 -0.05 0.03 -0.04 1.99 1.95 1mx5A1 GLU 1099 HG2 -0.02 -0.06 -0.01 -0.04 2.34 2.20 1mx5A1 GLU 1099 HG3 -0.03 0.33 0.07 -0.04 2.34 2.67 1mx5A1 LEU 1100 H -0.01 0.45 -0.12 -0.55 8.37 8.14 1mx5A1 LEU 1100 HA 0.19 0.06 0.47 -0.75 4.35 4.32 1mx5A1 LEU 1100 HB2 -0.10 0.07 0.15 -0.04 1.64 1.71 1mx5A1 LEU 1100 HB3 0.15 -0.11 0.00 -0.04 1.64 1.64 1mx5A1 LEU 1100 HG 0.09 0.06 0.02 -0.04 1.64 1.77 1mx5A1 LEU 1100 HD13 -0.06 -0.03 -0.12 -0.04 0.93 0.68 1mx5A1 LEU 1100 HD23 0.37 -0.03 0.01 -0.04 0.89 1.20 1mx5A1 PHE 1101 H 0.09 0.36 -0.27 -0.55 8.34 7.96 1mx5A1 PHE 1101 HA -0.14 0.13 0.89 -0.75 4.62 4.74 1mx5A1 PHE 1101 HB2 -0.12 0.16 0.04 -0.04 3.15 3.19 1mx5A1 PHE 1101 HB3 -0.31 -0.09 -0.08 -0.04 3.06 2.54 1mx5A1 PHE 1101 HD2 0.13 0.13 -0.26 -0.04 7.28 7.24 1mx5A1 PHE 1101 HE2 0.11 -0.05 -0.06 -0.04 7.38 7.34 1mx5A1 PHE 1101 HZ 0.02 -0.10 -0.15 -0.04 7.32 7.05 1mx5A1 THR 1102 H -0.06 0.49 0.05 -0.55 8.28 8.20 1mx5A1 THR 1102 HA -0.47 0.12 0.44 -0.75 4.39 3.72 1mx5A1 THR 1102 HB -0.17 0.04 0.22 -0.04 4.32 4.36 1mx5A1 THR 1102 HG23 -0.03 0.02 0.01 -0.04 1.22 1.18 1mx5A1 ASN 1103 H -0.34 0.17 0.28 -0.55 8.53 8.09 1mx5A1 ASN 1103 HA -0.12 0.17 0.76 -0.75 4.76 4.82 1mx5A1 ASN 1103 HB2 -0.13 -0.03 0.08 -0.04 2.88 2.76 1mx5A1 ASN 1103 HB3 -0.31 -0.01 0.02 -0.04 2.79 2.46 1mx5A1 ASN 1103 HD21 -0.05 0.24 0.14 -0.04 7.03 7.32 1mx5A1 ASN 1103 HD22 -0.02 0.35 0.02 -0.04 7.74 8.05 1mx5A1 ARG 1104 H -0.13 0.09 -0.12 -0.55 8.46 7.74 1mx5A1 ARG 1104 HA -0.05 0.17 0.76 -0.75 4.34 4.46 1mx5A1 ARG 1104 HB2 -0.02 -0.03 0.05 -0.04 1.90 1.86 1mx5A1 ARG 1104 HB3 -0.06 -0.02 0.00 -0.04 1.80 1.69 1mx5A1 ARG 1104 HG2 -0.12 -0.04 0.00 -0.04 1.67 1.47 1mx5A1 ARG 1104 HG3 -0.07 0.03 -0.38 -0.04 1.67 1.20 1mx5A1 ARG 1104 HD2 -0.12 0.09 0.03 -0.04 3.22 3.18 1mx5A1 ARG 1104 HD3 -0.04 -0.04 -0.01 -0.04 3.22 3.09 1mx5A1 LYS 1105 H -0.00 0.21 0.02 -0.55 8.42 8.09 1mx5A1 LYS 1105 HA 0.01 0.10 0.35 -0.75 4.32 4.03 1mx5A1 LYS 1105 HB2 0.02 -0.05 0.12 -0.04 1.87 1.92 1mx5A1 LYS 1105 HB3 0.03 0.10 0.19 -0.04 1.79 2.07 1mx5A1 LYS 1105 HG2 0.02 -0.03 0.10 -0.04 1.46 1.51 1mx5A1 LYS 1105 HG3 0.01 0.00 -0.18 -0.04 1.46 1.26 1mx5A1 LYS 1105 HD2 0.02 -0.07 0.01 -0.04 1.69 1.62 1mx5A1 LYS 1105 HD3 0.03 0.15 0.09 -0.04 1.68 1.92 1mx5A1 LYS 1105 HE2 0.03 0.02 0.03 -0.04 2.99 3.03 1mx5A1 LYS 1105 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.92 1mx5A1 GLU 1106 H -0.01 0.08 -0.32 -0.55 8.60 7.80 1mx5A1 GLU 1106 HA -0.01 0.15 0.84 -0.75 4.29 4.52 1mx5A1 GLU 1106 HB2 -0.01 0.07 -0.08 -0.04 2.09 2.03 1mx5A1 GLU 1106 HB3 0.00 0.00 -0.06 -0.04 1.99 1.89 1mx5A1 GLU 1106 HG2 0.01 -0.09 0.02 -0.04 2.34 2.23 1mx5A1 GLU 1106 HG3 -0.01 0.00 0.08 -0.04 2.34 2.37 1mx5A1 ASN 1107 H -0.03 0.14 0.01 -0.55 8.53 8.10 1mx5A1 ASN 1107 HA -0.09 0.05 0.38 -0.75 4.76 4.34 1mx5A1 ASN 1107 HB2 -0.04 0.09 0.05 -0.04 2.88 2.94 1mx5A1 ASN 1107 HB3 -0.04 -0.06 0.04 -0.04 2.79 2.69 1mx5A1 ASN 1107 HD21 -0.10 -0.11 -0.26 -0.04 7.03 6.51 1mx5A1 ASN 1107 HD22 -0.10 0.09 -0.13 -0.04 7.74 7.56 1mx5A1 ILE 1108 H -0.16 0.11 0.10 -0.55 8.25 7.76 1mx5A1 ILE 1108 HA -0.11 0.14 0.51 -0.75 4.18 3.97 1mx5A1 ILE 1108 HB -0.34 -0.08 -0.01 -0.04 1.89 1.42 1mx5A1 ILE 1108 HG12 -0.24 0.03 0.04 -0.04 1.49 1.28 1mx5A1 ILE 1108 HG13 -0.74 0.01 -0.03 -0.04 1.21 0.41 1mx5A1 ILE 1108 HG23 -0.31 0.02 -0.20 -0.04 0.93 0.41 1mx5A1 ILE 1108 HD13 -0.08 -0.00 -0.05 -0.04 0.88 0.71 1mx5A1 PRO 1109 HA -0.06 0.01 0.52 -0.51 4.44 4.40 1mx5A1 PRO 1109 HB2 -0.04 0.02 -0.03 -0.04 2.28 2.19 1mx5A1 PRO 1109 HB3 -0.04 0.01 0.05 -0.04 2.02 2.00 1mx5A1 PRO 1109 HG2 -0.03 0.01 0.10 -0.04 2.03 2.07 1mx5A1 PRO 1109 HG3 -0.03 0.01 0.06 -0.04 2.03 2.03 1mx5A1 PRO 1109 HD2 -0.05 0.05 0.21 -0.04 3.68 3.86 1mx5A1 PRO 1109 HD3 -0.04 0.27 0.18 -0.04 3.65 4.01 1mx5A1 LEU 1110 H -0.06 0.09 0.12 -0.55 8.37 7.97 1mx5A1 LEU 1110 HA -0.06 0.27 0.96 -0.75 4.35 4.78 1mx5A1 LEU 1110 HB2 -0.08 -0.07 -0.04 -0.04 1.64 1.41 1mx5A1 LEU 1110 HB3 -0.07 0.05 -0.00 -0.04 1.64 1.57 1mx5A1 LEU 1110 HG -0.12 0.14 -0.36 -0.04 1.64 1.25 1mx5A1 LEU 1110 HD13 -0.10 -0.03 -0.16 -0.04 0.93 0.59 1mx5A1 LEU 1110 HD23 -0.10 0.10 -0.19 -0.04 0.89 0.66 1mx5A1 LYS 1111 H -0.05 0.22 0.11 -0.55 8.42 8.14 1mx5A1 LYS 1111 HA -0.05 0.09 0.70 -0.75 4.32 4.31 1mx5A1 LYS 1111 HB2 -0.05 0.04 0.06 -0.04 1.87 1.88 1mx5A1 LYS 1111 HB3 -0.06 0.05 -0.08 -0.04 1.79 1.66 1mx5A1 LYS 1111 HG2 -0.04 0.02 -0.01 -0.04 1.46 1.39 1mx5A1 LYS 1111 HG3 -0.04 -0.03 0.07 -0.04 1.46 1.42 1mx5A1 LYS 1111 HD2 -0.04 0.02 -0.12 -0.04 1.69 1.51 1mx5A1 LYS 1111 HD3 -0.03 0.04 -0.10 -0.04 1.68 1.55 1mx5A1 LYS 1111 HE2 -0.03 0.01 -0.02 -0.04 2.99 2.91 1mx5A1 LYS 1111 HE3 -0.03 -0.03 -0.00 -0.04 2.99 2.89 1mx5A1 LEU 1112 H -0.06 0.10 0.16 -0.55 8.37 8.02 1mx5A1 LEU 1112 HA -0.11 0.39 0.71 -0.75 4.35 4.59 1mx5A1 LEU 1112 HB2 -0.08 -0.05 0.11 -0.04 1.64 1.58 1mx5A1 LEU 1112 HB3 -0.14 -0.07 -0.02 -0.04 1.64 1.36 1mx5A1 LEU 1112 HG -0.06 -0.01 0.01 -0.04 1.64 1.54 1mx5A1 LEU 1112 HD13 -0.05 -0.02 0.09 -0.04 0.93 0.90 1mx5A1 LEU 1112 HD23 -0.09 -0.01 -0.16 -0.04 0.89 0.59 1mx5A1 SER 1113 H -0.18 0.53 0.10 -0.55 8.46 8.35 1mx5A1 SER 1113 HA -0.16 -0.02 0.39 -0.75 4.49 3.95 1mx5A1 SER 1113 HB2 -0.08 0.20 -0.02 -0.04 3.95 4.00 1mx5A1 SER 1113 HB3 -0.08 0.14 -0.31 -0.04 3.93 3.64 1mx5A1 GLU 1114 H -0.19 0.17 0.11 -0.55 8.60 8.15 1mx5A1 GLU 1114 HA -0.42 0.05 0.50 -0.75 4.29 3.66 1mx5A1 GLU 1114 HB2 -0.13 0.01 -0.01 -0.04 2.09 1.92 1mx5A1 GLU 1114 HB3 -0.18 0.16 0.05 -0.04 1.99 1.98 1mx5A1 GLU 1114 HG2 -0.59 -0.00 0.04 -0.04 2.34 1.75 1mx5A1 GLU 1114 HG3 -0.20 -0.09 0.10 -0.04 2.34 2.10 1mx5A1 ASP 1115 H -0.10 0.02 -0.29 -0.55 8.40 7.49 1mx5A1 ASP 1115 HA -0.10 0.09 0.55 -0.75 4.63 4.41 1mx5A1 ASP 1115 HB2 -0.05 -0.01 0.03 -0.04 2.71 2.64 1mx5A1 ASP 1115 HB3 -0.02 -0.03 0.11 -0.04 2.70 2.72 1mx5A1 CYS 1116 H -0.11 0.26 -0.09 -0.55 8.50 8.02 1mx5A1 CYS 1116 HA 0.24 0.25 0.62 -0.75 4.58 4.94 1mx5A1 CYS 1116 HB2 -0.00 -0.05 -0.07 -0.04 2.97 2.81 1mx5A1 CYS 1116 HB3 -0.06 0.14 -0.61 -0.04 2.97 2.41 1mx5A1 LEU 1117 H -0.32 0.07 -0.04 -0.55 8.37 7.54 1mx5A1 LEU 1117 HA -0.19 0.18 0.50 -0.75 4.35 4.08 1mx5A1 LEU 1117 HB2 -0.62 0.05 0.07 -0.04 1.64 1.10 1mx5A1 LEU 1117 HB3 -1.34 0.04 0.07 -0.04 1.64 0.36 1mx5A1 LEU 1117 HG -0.21 -0.06 0.03 -0.04 1.64 1.35 1mx5A1 LEU 1117 HD13 -0.19 0.05 -0.02 -0.04 0.93 0.73 1mx5A1 LEU 1117 HD23 0.03 -0.00 -0.13 -0.04 0.89 0.75 1mx5A1 TYR 1118 H 0.17 0.54 0.09 -0.55 8.29 8.54 1mx5A1 TYR 1118 HA -0.05 0.23 0.89 -0.75 4.56 4.88 1mx5A1 TYR 1118 HB2 -0.01 -0.02 -0.11 -0.04 3.06 2.88 1mx5A1 TYR 1118 HB3 -0.04 -0.08 -0.11 -0.04 2.98 2.71 1mx5A1 TYR 1118 HD2 -0.10 0.04 -0.66 -0.04 7.15 6.39 1mx5A1 TYR 1118 HE2 -0.12 0.14 -0.26 -0.04 6.85 6.57 1mx5A1 LEU 1119 H 0.13 0.47 0.27 -0.55 8.37 8.69 1mx5A1 LEU 1119 HA 0.12 0.12 0.87 -0.75 4.35 4.71 1mx5A1 LEU 1119 HB2 -0.04 0.09 -0.01 -0.04 1.64 1.64 1mx5A1 LEU 1119 HB3 -0.04 -0.02 -0.06 -0.04 1.64 1.48 1mx5A1 LEU 1119 HG -0.29 0.11 -0.08 -0.04 1.64 1.34 1mx5A1 LEU 1119 HD13 -0.47 -0.03 -0.28 -0.04 0.93 0.12 1mx5A1 LEU 1119 HD23 -0.61 -0.00 -0.14 -0.04 0.89 0.10 1mx5A1 ASN 1120 H 0.12 0.72 0.41 -0.55 8.53 9.24 1mx5A1 ASN 1120 HA -0.01 0.22 1.16 -0.75 4.76 5.38 1mx5A1 ASN 1120 HB2 0.27 -0.04 0.14 -0.04 2.88 3.21 1mx5A1 ASN 1120 HB3 -0.01 0.10 0.09 -0.04 2.79 2.93 1mx5A1 ASN 1120 HD21 0.20 -0.07 -0.10 -0.04 7.03 7.02 1mx5A1 ASN 1120 HD22 0.26 0.10 -0.17 -0.04 7.74 7.89 1mx5A1 ILE 1121 H -0.07 0.68 0.41 -0.55 8.25 8.72 1mx5A1 ILE 1121 HA 0.13 0.33 1.21 -0.75 4.18 5.09 1mx5A1 ILE 1121 HB -0.02 -0.07 0.09 -0.04 1.89 1.86 1mx5A1 ILE 1121 HG12 -0.04 0.05 -0.19 -0.04 1.49 1.27 1mx5A1 ILE 1121 HG13 -0.14 -0.06 -0.31 -0.04 1.21 0.65 1mx5A1 ILE 1121 HG23 -0.00 0.01 -0.15 -0.04 0.93 0.75 1mx5A1 ILE 1121 HD13 -0.64 0.00 -0.15 -0.04 0.88 0.05 1mx5A1 TYR 1122 H 0.31 0.64 0.27 -0.55 8.29 8.96 1mx5A1 TYR 1122 HA 0.15 0.20 0.86 -0.75 4.56 5.01 1mx5A1 TYR 1122 HB2 0.12 -0.01 0.18 -0.04 3.06 3.31 1mx5A1 TYR 1122 HB3 0.10 0.01 -0.13 -0.04 2.98 2.92 1mx5A1 TYR 1122 HD2 0.11 0.17 -0.17 -0.04 7.15 7.22 1mx5A1 TYR 1122 HE2 0.11 0.05 -0.08 -0.04 6.85 6.88 1mx5A1 THR 1123 H 0.26 0.67 0.22 -0.55 8.28 8.87 1mx5A1 THR 1123 HA 0.20 0.24 1.09 -0.75 4.39 5.17 1mx5A1 THR 1123 HB 0.28 -0.03 0.00 -0.04 4.32 4.54 1mx5A1 THR 1123 HG23 0.40 0.01 0.13 -0.04 1.22 1.72 1mx5A1 PRO 1124 HA 0.10 0.09 0.48 -0.51 4.44 4.59 1mx5A1 PRO 1124 HB2 0.02 0.02 -0.03 -0.04 2.28 2.26 1mx5A1 PRO 1124 HB3 0.01 -0.08 -0.36 -0.04 2.02 1.55 1mx5A1 PRO 1124 HG2 0.07 0.01 -0.25 -0.04 2.03 1.81 1mx5A1 PRO 1124 HG3 0.04 0.11 -0.08 -0.04 2.03 2.06 1mx5A1 PRO 1124 HD2 0.12 0.05 -0.04 -0.04 3.68 3.78 1mx5A1 PRO 1124 HD3 0.12 0.26 0.04 -0.04 3.65 4.02 1mx5A1 ALA 1125 H 0.13 0.05 -0.37 -0.55 8.40 7.66 1mx5A1 ALA 1125 HA 0.08 0.06 0.42 -0.75 4.34 4.14 1mx5A1 ALA 1125 HB3 0.10 0.04 -0.05 -0.04 1.41 1.45 1mx5A1 ASP 1126 H 0.06 0.13 0.07 -0.55 8.40 8.11 1mx5A1 ASP 1126 HA 0.10 0.15 0.64 -0.75 4.63 4.76 1mx5A1 ASP 1126 HB2 0.04 0.07 0.09 -0.04 2.71 2.86 1mx5A1 ASP 1126 HB3 0.04 0.01 0.19 -0.04 2.70 2.89 1mx5A1 LEU 1127 H 0.16 0.31 0.08 -0.55 8.37 8.37 1mx5A1 LEU 1127 HA 0.06 0.18 0.27 -0.75 4.35 4.10 1mx5A1 LEU 1127 HB2 0.15 -0.06 0.02 -0.04 1.64 1.70 1mx5A1 LEU 1127 HB3 0.05 0.04 0.11 -0.04 1.64 1.80 1mx5A1 LEU 1127 HG 0.19 0.15 -0.01 -0.04 1.64 1.93 1mx5A1 LEU 1127 HD13 0.25 -0.02 -0.04 -0.04 0.93 1.08 1mx5A1 LEU 1127 HD23 0.06 0.06 -0.10 -0.04 0.89 0.87 1mx5A1 THR 1128 H 0.07 -0.01 -0.73 -0.55 8.28 7.06 1mx5A1 THR 1128 HA 0.04 0.12 0.57 -0.75 4.39 4.36 1mx5A1 THR 1128 HB 0.04 -0.03 0.09 -0.04 4.32 4.37 1mx5A1 THR 1128 HG23 0.07 -0.01 -0.06 -0.04 1.22 1.18 1mx5A1 LYS 1129 H 0.04 0.61 -0.03 -0.55 8.42 8.49 1mx5A1 LYS 1129 HA 0.01 0.09 0.75 -0.75 4.32 4.42 1mx5A1 LYS 1129 HB2 0.02 0.06 -0.03 -0.04 1.87 1.88 1mx5A1 LYS 1129 HB3 0.01 -0.03 0.08 -0.04 1.79 1.81 1mx5A1 LYS 1129 HG2 0.02 0.06 -0.15 -0.04 1.46 1.35 1mx5A1 LYS 1129 HG3 0.02 -0.13 -0.32 -0.04 1.46 1.00 1mx5A1 LYS 1129 HD2 0.02 0.00 -0.03 -0.04 1.69 1.64 1mx5A1 LYS 1129 HD3 0.01 0.00 -0.02 -0.04 1.68 1.64 1mx5A1 LYS 1129 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 1mx5A1 LYS 1129 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.88 1mx5A1 LYS 1130 H 0.01 0.08 0.11 -0.55 8.42 8.06 1mx5A1 LYS 1130 HA 0.01 0.21 0.83 -0.75 4.32 4.62 1mx5A1 LYS 1130 HB2 -0.00 -0.08 0.12 -0.04 1.87 1.88 1mx5A1 LYS 1130 HB3 -0.00 0.06 -0.05 -0.04 1.79 1.76 1mx5A1 LYS 1130 HG2 -0.01 0.11 -0.03 -0.04 1.46 1.49 1mx5A1 LYS 1130 HG3 -0.01 -0.04 -0.12 -0.04 1.46 1.25 1mx5A1 LYS 1130 HD2 -0.01 -0.06 -0.01 -0.04 1.69 1.57 1mx5A1 LYS 1130 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.62 1mx5A1 LYS 1130 HE2 -0.03 0.06 -0.04 -0.04 2.99 2.94 1mx5A1 LYS 1130 HE3 -0.02 -0.01 -0.04 -0.04 2.99 2.88 1mx5A1 ASN 1131 H 0.02 0.28 0.20 -0.55 8.53 8.48 1mx5A1 ASN 1131 HA 0.02 0.12 0.83 -0.75 4.76 4.98 1mx5A1 ASN 1131 HB2 0.05 0.04 0.05 -0.04 2.88 2.99 1mx5A1 ASN 1131 HB3 0.04 0.01 0.02 -0.04 2.79 2.82 1mx5A1 ASN 1131 HD21 0.03 -0.07 -0.14 -0.04 7.03 6.81 1mx5A1 ASN 1131 HD22 0.03 0.03 -0.03 -0.04 7.74 7.73 1mx5A1 ARG 1132 H 0.02 0.15 -0.07 -0.55 8.46 8.01 1mx5A1 ARG 1132 HA 0.03 0.21 0.32 -0.75 4.34 4.14 1mx5A1 ARG 1132 HB2 0.00 -0.02 0.10 -0.04 1.90 1.94 1mx5A1 ARG 1132 HB3 0.00 -0.02 0.06 -0.04 1.80 1.80 1mx5A1 ARG 1132 HG2 0.00 0.08 -0.13 -0.04 1.67 1.58 1mx5A1 ARG 1132 HG3 0.00 -0.06 -0.45 -0.04 1.67 1.12 1mx5A1 ARG 1132 HD2 -0.01 -0.02 -0.05 -0.04 3.22 3.11 1mx5A1 ARG 1132 HD3 -0.01 -0.01 -0.03 -0.04 3.22 3.13 1mx5A1 LEU 1133 H 0.05 0.65 0.05 -0.55 8.37 8.57 1mx5A1 LEU 1133 HA 0.03 0.14 0.68 -0.75 4.35 4.45 1mx5A1 LEU 1133 HB2 0.07 -0.04 0.07 -0.04 1.64 1.70 1mx5A1 LEU 1133 HB3 0.05 0.20 0.15 -0.04 1.64 2.00 1mx5A1 LEU 1133 HG 0.06 -0.00 0.02 -0.04 1.64 1.67 1mx5A1 LEU 1133 HD13 0.07 -0.01 -0.19 -0.04 0.93 0.76 1mx5A1 LEU 1133 HD23 0.04 0.03 -0.02 -0.04 0.89 0.89 1mx5A1 PRO 1134 HA 0.03 0.12 0.62 -0.51 4.44 4.71 1mx5A1 PRO 1134 HB2 0.01 0.04 -0.10 -0.04 2.28 2.18 1mx5A1 PRO 1134 HB3 -0.00 0.07 0.07 -0.04 2.02 2.11 1mx5A1 PRO 1134 HG2 0.02 -0.04 0.13 -0.04 2.03 2.10 1mx5A1 PRO 1134 HG3 0.01 0.06 0.08 -0.04 2.03 2.14 1mx5A1 PRO 1134 HD2 0.03 0.21 0.38 -0.04 3.68 4.25 1mx5A1 PRO 1134 HD3 0.01 0.11 0.26 -0.04 3.65 4.00 1mx5A1 VAL 1135 H 0.06 0.63 0.37 -0.55 8.24 8.76 1mx5A1 VAL 1135 HA 0.10 0.26 1.02 -0.75 4.13 4.76 1mx5A1 VAL 1135 HB 0.11 -0.00 0.08 -0.04 2.12 2.26 1mx5A1 VAL 1135 HG13 0.14 -0.02 -0.20 -0.04 0.97 0.85 1mx5A1 VAL 1135 HG23 0.10 -0.00 -0.16 -0.04 0.95 0.85 1mx5A1 MET 1136 H 0.14 0.72 0.33 -0.55 8.47 9.10 1mx5A1 MET 1136 HA 0.10 0.28 1.01 -0.75 4.52 5.16 1mx5A1 MET 1136 HB2 0.09 -0.06 0.07 -0.04 2.15 2.20 1mx5A1 MET 1136 HB3 -0.32 -0.06 -0.08 -0.04 2.03 1.53 1mx5A1 MET 1136 HG2 -0.11 0.08 -0.24 -0.04 2.63 2.32 1mx5A1 MET 1136 HG3 -0.02 0.06 -0.37 -0.04 2.56 2.19 1mx5A1 MET 1136 HE3 -0.41 0.02 -0.23 -0.04 2.10 1.43 1mx5A1 VAL 1137 H 0.30 0.79 0.33 -0.55 8.24 9.10 1mx5A1 VAL 1137 HA 0.29 0.26 1.05 -0.75 4.13 4.98 1mx5A1 VAL 1137 HB 0.13 -0.04 0.14 -0.04 2.12 2.30 1mx5A1 VAL 1137 HG13 0.05 -0.01 -0.18 -0.04 0.97 0.79 1mx5A1 VAL 1137 HG23 0.14 0.01 -0.14 -0.04 0.95 0.92 1mx5A1 TRP 1138 H 0.39 0.72 0.41 -0.55 7.97 8.95 1mx5A1 TRP 1138 HA -0.48 0.41 0.99 -0.75 4.62 4.78 1mx5A1 TRP 1138 HB2 -0.29 0.02 -0.05 -0.04 3.23 2.86 1mx5A1 TRP 1138 HB3 0.01 -0.03 0.14 -0.04 3.23 3.31 1mx5A1 TRP 1138 HD1 -0.36 -0.02 -0.10 -0.04 7.22 6.69 1mx5A1 TRP 1138 HE1 -1.72 -0.08 -0.09 -0.04 10.20 8.27 1mx5A1 TRP 1138 HE3 -2.52 0.12 -0.23 -0.04 7.59 4.92 1mx5A1 TRP 1138 HZ2 -0.31 -0.09 -0.03 -0.04 7.44 6.97 1mx5A1 TRP 1138 HZ3 0.02 0.01 -0.33 -0.04 7.13 6.80 1mx5A1 TRP 1138 HH2 -0.01 -0.10 -0.19 -0.04 7.19 6.84 1mx5A1 ILE 1139 H -1.05 0.57 0.37 -0.55 8.25 7.58 1mx5A1 ILE 1139 HA -0.27 0.19 0.94 -0.75 4.18 4.28 1mx5A1 ILE 1139 HB -0.49 -0.07 0.13 -0.04 1.89 1.41 1mx5A1 ILE 1139 HG12 -0.19 0.05 -0.21 -0.04 1.49 1.11 1mx5A1 ILE 1139 HG13 -0.25 0.08 -0.23 -0.04 1.21 0.78 1mx5A1 ILE 1139 HG23 -0.33 0.02 -0.10 -0.04 0.93 0.48 1mx5A1 ILE 1139 HD13 -0.24 -0.00 -0.15 -0.04 0.88 0.45 1mx5A1 HIS 1140 H -0.07 0.27 0.10 -0.55 8.41 8.17 1mx5A1 HIS 1140 HA -0.43 -0.04 0.45 -0.75 4.63 3.85 1mx5A1 HIS 1140 HB2 0.21 -0.05 0.14 -0.04 3.26 3.52 1mx5A1 HIS 1140 HB3 0.04 0.09 0.06 -0.04 3.20 3.34 1mx5A1 HIS 1140 HD2 0.04 0.25 0.02 -0.04 6.97 7.23 1mx5A1 HIS 1140 HE1 -0.19 0.13 -0.39 -0.04 7.75 7.25 1mx5A1 GLY 1141 H 0.26 0.07 0.22 -0.55 8.43 8.43 1mx5A1 GLY 1141 HA2 0.01 0.00 0.81 -0.51 4.01 4.32 1mx5A1 GLY 1141 HA3 0.18 0.01 0.52 -0.51 4.01 4.21 1mx5A1 GLY 1142 H 0.16 -0.27 0.33 -0.55 8.43 8.11 1mx5A1 GLY 1142 HA2 0.12 0.06 0.25 -0.51 4.01 3.93 1mx5A1 GLY 1142 HA3 0.17 0.56 0.77 -0.51 4.01 5.01 1mx5A1 GLY 1143 H 0.10 -0.22 0.28 -0.55 8.43 8.05 1mx5A1 GLY 1143 HA2 0.02 0.06 0.36 -0.51 4.01 3.94 1mx5A1 GLY 1143 HA3 0.03 0.17 0.40 -0.51 4.01 4.11 1mx5A1 LEU 1144 H 0.05 -0.00 -0.46 -0.55 8.37 7.41 1mx5A1 LEU 1144 HA 0.14 0.08 0.17 -0.75 4.35 4.00 1mx5A1 LEU 1144 HB2 -0.29 0.36 0.15 -0.04 1.64 1.81 1mx5A1 LEU 1144 HB3 -0.54 -0.00 0.21 -0.04 1.64 1.27 1mx5A1 LEU 1144 HG -0.16 -0.17 -0.27 -0.04 1.64 1.00 1mx5A1 LEU 1144 HD13 -0.75 0.03 0.00 -0.04 0.93 0.16 1mx5A1 LEU 1144 HD23 0.01 0.02 -0.08 -0.04 0.89 0.80 1mx5A1 MET 1145 H 0.04 0.31 -0.41 -0.55 8.47 7.86 1mx5A1 MET 1145 HA 0.07 0.03 1.00 -0.75 4.52 4.86 1mx5A1 MET 1145 HB2 0.04 0.07 0.05 -0.04 2.15 2.27 1mx5A1 MET 1145 HB3 0.05 -0.07 0.03 -0.04 2.03 2.00 1mx5A1 MET 1145 HG2 -0.06 0.26 -0.10 -0.04 2.63 2.69 1mx5A1 MET 1145 HG3 -0.02 0.03 0.03 -0.04 2.56 2.57 1mx5A1 MET 1145 HE3 -0.21 -0.00 0.10 -0.04 2.10 1.94 1mx5A1 VAL 1146 H 0.08 0.36 0.20 -0.55 8.24 8.32 1mx5A1 VAL 1146 HA 0.04 0.26 0.76 -0.75 4.13 4.43 1mx5A1 VAL 1146 HB 0.01 -0.11 0.10 -0.04 2.12 2.09 1mx5A1 VAL 1146 HG13 0.05 -0.03 -0.24 -0.04 0.97 0.71 1mx5A1 VAL 1146 HG23 0.03 0.04 -0.15 -0.04 0.95 0.84 1mx5A1 GLY 1147 H -0.01 0.08 0.10 -0.55 8.43 8.06 1mx5A1 GLY 1147 HA2 -0.01 -0.01 0.33 -0.51 4.01 3.81 1mx5A1 GLY 1147 HA3 0.17 0.35 0.90 -0.51 4.01 4.92 1mx5A1 ALA 1148 H -0.39 0.28 0.19 -0.55 8.40 7.93 1mx5A1 ALA 1148 HA -0.49 0.15 0.49 -0.75 4.34 3.73 1mx5A1 ALA 1148 HB3 -0.13 0.03 -0.08 -0.04 1.41 1.19 1mx5A1 ALA 1149 H -0.03 0.23 0.08 -0.55 8.40 8.13 1mx5A1 ALA 1149 HA 0.20 0.12 0.56 -0.75 4.34 4.47 1mx5A1 ALA 1149 HB3 0.17 0.06 -0.22 -0.04 1.41 1.37 1mx5A1 SER 1150 H 0.03 0.10 -0.08 -0.55 8.46 7.96 1mx5A1 SER 1150 HA 0.12 0.16 0.26 -0.75 4.49 4.27 1mx5A1 SER 1150 HB2 -0.08 -0.02 -0.06 -0.04 3.95 3.75 1mx5A1 SER 1150 HB3 -0.33 0.03 -0.05 -0.04 3.93 3.54 1mx5A1 THR 1151 H 0.00 0.05 -0.73 -0.55 8.28 7.06 1mx5A1 THR 1151 HA -0.21 0.04 0.31 -0.75 4.39 3.78 1mx5A1 THR 1151 HB -0.08 0.10 -0.02 -0.04 4.32 4.28 1mx5A1 THR 1151 HG23 -0.48 0.02 -0.07 -0.04 1.22 0.65 1mx5A1 TYR 1152 H 0.16 0.51 -0.36 -0.55 8.29 8.04 1mx5A1 TYR 1152 HA -0.49 0.02 0.89 -0.75 4.56 4.23 1mx5A1 TYR 1152 HB2 -0.47 0.08 0.09 -0.04 3.06 2.72 1mx5A1 TYR 1152 HB3 -1.62 0.01 -0.10 -0.04 2.98 1.23 1mx5A1 TYR 1152 HD2 -0.95 0.08 -0.03 -0.04 7.15 6.20 1mx5A1 TYR 1152 HE2 -0.08 -0.02 -0.02 -0.04 6.85 6.69 1mx5A1 ASP 1153 H -0.26 0.11 0.12 -0.55 8.40 7.82 1mx5A1 ASP 1153 HA -0.11 0.14 0.66 -0.75 4.63 4.57 1mx5A1 ASP 1153 HB2 -0.05 0.06 0.00 -0.04 2.71 2.69 1mx5A1 ASP 1153 HB3 -0.09 0.02 0.08 -0.04 2.70 2.67 1mx5A1 GLY 1154 H -1.61 0.23 0.06 -0.55 8.43 6.57 1mx5A1 GLY 1154 HA2 -0.07 0.15 0.55 -0.51 4.01 4.13 1mx5A1 GLY 1154 HA3 -0.58 0.11 0.23 -0.51 4.01 3.26 1mx5A1 LEU 1155 H -0.26 0.07 -0.27 -0.55 8.37 7.37 1mx5A1 LEU 1155 HA 0.10 0.10 0.29 -0.75 4.35 4.08 1mx5A1 LEU 1155 HB2 0.15 0.02 0.02 -0.04 1.64 1.80 1mx5A1 LEU 1155 HB3 0.03 -0.04 0.02 -0.04 1.64 1.61 1mx5A1 LEU 1155 HG 0.03 0.01 -0.36 -0.04 1.64 1.28 1mx5A1 LEU 1155 HD13 0.10 0.01 -0.10 -0.04 0.93 0.90 1mx5A1 LEU 1155 HD23 0.08 0.02 -0.10 -0.04 0.89 0.86 1mx5A1 ALA 1156 H -0.02 0.16 -0.21 -0.55 8.40 7.78 1mx5A1 ALA 1156 HA 0.01 0.06 0.34 -0.75 4.34 4.00 1mx5A1 ALA 1156 HB3 -0.03 0.04 -0.04 -0.04 1.41 1.34 1mx5A1 LEU 1157 H -0.09 0.12 -0.30 -0.55 8.37 7.56 1mx5A1 LEU 1157 HA -0.13 0.02 0.29 -0.75 4.35 3.78 1mx5A1 LEU 1157 HB2 -0.23 0.00 0.04 -0.04 1.64 1.41 1mx5A1 LEU 1157 HB3 -0.12 0.04 -0.00 -0.04 1.64 1.53 1mx5A1 LEU 1157 HG -0.09 0.05 -0.25 -0.04 1.64 1.31 1mx5A1 LEU 1157 HD13 -0.15 0.02 0.03 -0.04 0.93 0.79 1mx5A1 LEU 1157 HD23 -0.30 0.00 -0.12 -0.04 0.89 0.44 1mx5A1 ALA 1158 H -0.04 0.44 -0.28 -0.55 8.40 7.97 1mx5A1 ALA 1158 HA 0.01 0.16 0.49 -0.75 4.34 4.24 1mx5A1 ALA 1158 HB3 0.08 -0.02 0.05 -0.04 1.41 1.48 1mx5A1 ALA 1159 H -0.15 0.50 -0.04 -0.55 8.40 8.16 1mx5A1 ALA 1159 HA -0.26 0.06 0.43 -0.75 4.34 3.81 1mx5A1 ALA 1159 HB3 -0.79 -0.01 0.06 -0.04 1.41 0.63 1mx5A1 HIS 1160 H -0.27 0.56 0.00 -0.55 8.41 8.17 1mx5A1 HIS 1160 HA -0.06 -0.00 0.37 -0.75 4.63 4.19 1mx5A1 HIS 1160 HB2 -0.25 0.10 0.08 -0.04 3.26 3.16 1mx5A1 HIS 1160 HB3 -0.15 -0.04 -0.07 -0.04 3.20 2.90 1mx5A1 HIS 1160 HD2 -0.19 -0.02 -0.02 -0.04 6.97 6.70 1mx5A1 HIS 1160 HE1 -0.53 -0.01 -0.01 -0.04 7.75 7.15 1mx5A1 GLU 1161 H -0.02 0.47 -0.20 -0.55 8.60 8.30 1mx5A1 GLU 1161 HA 0.03 0.15 0.82 -0.75 4.29 4.53 1mx5A1 GLU 1161 HB2 -0.02 0.16 0.03 -0.04 2.09 2.23 1mx5A1 GLU 1161 HB3 0.01 -0.02 0.06 -0.04 1.99 2.00 1mx5A1 GLU 1161 HG2 -0.01 -0.10 -0.20 -0.04 2.34 1.98 1mx5A1 GLU 1161 HG3 0.00 0.12 -0.23 -0.04 2.34 2.19 1mx5A1 ASN 1162 H -0.03 0.23 -0.49 -0.55 8.53 7.70 1mx5A1 ASN 1162 HA 0.01 0.12 0.39 -0.75 4.76 4.51 1mx5A1 ASN 1162 HB2 0.03 0.00 -0.08 -0.04 2.88 2.80 1mx5A1 ASN 1162 HB3 0.03 0.07 0.03 -0.04 2.79 2.89 1mx5A1 ASN 1162 HD21 0.04 -0.10 -0.12 -0.04 7.03 6.81 1mx5A1 ASN 1162 HD22 0.03 0.11 -0.02 -0.04 7.74 7.82 1mx5A1 VAL 1163 H 0.02 0.30 0.10 -0.55 8.24 8.10 1mx5A1 VAL 1163 HA 0.04 0.17 0.89 -0.75 4.13 4.48 1mx5A1 VAL 1163 HB 0.03 0.12 -0.08 -0.04 2.12 2.15 1mx5A1 VAL 1163 HG13 0.01 0.06 -0.22 -0.04 0.97 0.79 1mx5A1 VAL 1163 HG23 0.00 -0.05 -0.26 -0.04 0.95 0.60 1mx5A1 VAL 1164 H 0.08 0.49 0.12 -0.55 8.24 8.38 1mx5A1 VAL 1164 HA 0.15 0.21 0.86 -0.75 4.13 4.60 1mx5A1 VAL 1164 HB 0.12 -0.03 0.05 -0.04 2.12 2.23 1mx5A1 VAL 1164 HG13 0.17 -0.02 -0.23 -0.04 0.97 0.84 1mx5A1 VAL 1164 HG23 0.13 -0.02 -0.15 -0.04 0.95 0.87 1mx5A1 VAL 1165 H 0.22 0.55 0.39 -0.55 8.24 8.85 1mx5A1 VAL 1165 HA 0.22 0.26 1.01 -0.75 4.13 4.88 1mx5A1 VAL 1165 HB 0.19 -0.06 0.17 -0.04 2.12 2.37 1mx5A1 VAL 1165 HG13 0.29 -0.03 -0.18 -0.04 0.97 1.01 1mx5A1 VAL 1165 HG23 0.07 0.03 -0.15 -0.04 0.95 0.85 1mx5A1 VAL 1166 H 0.30 0.75 0.39 -0.55 8.24 9.14 1mx5A1 VAL 1166 HA 0.25 0.36 1.16 -0.75 4.13 5.14 1mx5A1 VAL 1166 HB 0.19 -0.05 0.12 -0.04 2.12 2.34 1mx5A1 VAL 1166 HG13 0.09 -0.01 -0.22 -0.04 0.97 0.80 1mx5A1 VAL 1166 HG23 0.16 0.01 -0.27 -0.04 0.95 0.81 1mx5A1 THR 1167 H 0.29 0.51 0.32 -0.55 8.28 8.85 1mx5A1 THR 1167 HA 0.33 0.15 1.02 -0.75 4.39 5.13 1mx5A1 THR 1167 HB 0.29 -0.03 0.16 -0.04 4.32 4.69 1mx5A1 THR 1167 HG23 0.23 0.04 -0.05 -0.04 1.22 1.40 1mx5A1 ILE 1168 H 0.16 0.54 0.35 -0.55 8.25 8.75 1mx5A1 ILE 1168 HA 0.11 0.19 1.22 -0.75 4.18 4.95 1mx5A1 ILE 1168 HB -0.15 0.08 0.07 -0.04 1.89 1.85 1mx5A1 ILE 1168 HG12 0.02 0.11 0.01 -0.04 1.49 1.60 1mx5A1 ILE 1168 HG13 0.14 -0.07 -0.48 -0.04 1.21 0.75 1mx5A1 ILE 1168 HG23 -0.04 0.02 -0.23 -0.04 0.93 0.64 1mx5A1 ILE 1168 HD13 -0.12 0.00 -0.13 -0.04 0.88 0.59 1mx5A1 GLN 1169 H 0.29 0.56 0.36 -0.55 8.47 9.13 1mx5A1 GLN 1169 HA 0.24 0.08 0.95 -0.75 4.36 4.87 1mx5A1 GLN 1169 HB2 0.20 0.18 0.24 -0.04 2.15 2.73 1mx5A1 GLN 1169 HB3 0.09 -0.03 0.09 -0.04 2.02 2.12 1mx5A1 GLN 1169 HG2 0.04 -0.09 0.03 -0.04 2.40 2.34 1mx5A1 GLN 1169 HG3 0.13 0.01 -0.17 -0.04 2.39 2.32 1mx5A1 GLN 1169 HE21 0.03 0.60 0.21 -0.04 6.97 7.77 1mx5A1 GLN 1169 HE22 0.10 0.29 0.15 -0.04 7.69 8.19 1mx5A1 TYR 1170 H -0.18 0.25 0.11 -0.55 8.29 7.93 1mx5A1 TYR 1170 HA 0.18 0.12 0.63 -0.75 4.56 4.73 1mx5A1 TYR 1170 HB2 0.05 0.06 0.10 -0.04 3.06 3.24 1mx5A1 TYR 1170 HB3 0.08 0.08 -0.24 -0.04 2.98 2.85 1mx5A1 TYR 1170 HD2 0.02 0.11 -0.28 -0.04 7.15 6.96 1mx5A1 TYR 1170 HE2 -0.23 -0.03 -0.12 -0.04 6.85 6.42 1mx5A1 ARG 1171 H 0.17 0.15 0.07 -0.55 8.46 8.29 1mx5A1 ARG 1171 HA 0.03 0.00 0.33 -0.75 4.34 3.95 1mx5A1 ARG 1171 HB2 0.12 -0.02 -0.05 -0.04 1.90 1.91 1mx5A1 ARG 1171 HB3 0.19 -0.02 -0.38 -0.04 1.80 1.55 1mx5A1 ARG 1171 HG2 0.04 -0.03 -0.01 -0.04 1.67 1.63 1mx5A1 ARG 1171 HG3 0.03 -0.03 0.01 -0.04 1.67 1.63 1mx5A1 ARG 1171 HD2 0.11 0.13 -0.09 -0.04 3.22 3.32 1mx5A1 ARG 1171 HD3 -0.00 0.06 0.04 -0.04 3.22 3.27 1mx5A1 LEU 1172 H 0.13 0.13 0.12 -0.55 8.37 8.21 1mx5A1 LEU 1172 HA 0.41 0.23 0.84 -0.75 4.35 5.07 1mx5A1 LEU 1172 HB2 0.12 0.11 -0.17 -0.04 1.64 1.66 1mx5A1 LEU 1172 HB3 0.16 -0.03 -0.37 -0.04 1.64 1.36 1mx5A1 LEU 1172 HG -0.10 0.11 -0.29 -0.04 1.64 1.32 1mx5A1 LEU 1172 HD13 0.02 -0.00 -0.44 -0.04 0.93 0.47 1mx5A1 LEU 1172 HD23 -0.12 -0.03 -0.35 -0.04 0.89 0.35 1mx5A1 GLY 1173 H 0.28 0.89 0.40 -0.55 8.43 9.45 1mx5A1 GLY 1173 HA2 0.08 0.10 0.42 -0.51 4.01 4.11 1mx5A1 GLY 1173 HA3 0.21 0.00 0.47 -0.51 4.01 4.18 1mx5A1 ILE 1174 H 0.11 0.17 0.20 -0.55 8.25 8.17 1mx5A1 ILE 1174 HA 0.17 0.02 0.35 -0.75 4.18 3.96 1mx5A1 ILE 1174 HB -0.77 -0.01 0.13 -0.04 1.89 1.19 1mx5A1 ILE 1174 HG12 0.07 0.00 0.05 -0.04 1.49 1.57 1mx5A1 ILE 1174 HG13 0.01 -0.06 0.14 -0.04 1.21 1.26 1mx5A1 ILE 1174 HG23 -0.22 0.02 -0.08 -0.04 0.93 0.61 1mx5A1 ILE 1174 HD13 -0.06 0.06 0.01 -0.04 0.88 0.85 1mx5A1 TRP 1175 H 0.46 0.18 -0.10 -0.55 7.97 7.96 1mx5A1 TRP 1175 HA 0.01 0.08 0.40 -0.75 4.62 4.36 1mx5A1 TRP 1175 HB2 0.03 0.09 0.11 -0.04 3.23 3.42 1mx5A1 TRP 1175 HB3 -0.06 0.01 0.04 -0.04 3.23 3.17 1mx5A1 TRP 1175 HD1 -0.22 0.09 0.06 -0.04 7.22 7.10 1mx5A1 TRP 1175 HE1 -0.11 -0.00 0.00 -0.04 10.20 10.04 1mx5A1 TRP 1175 HE3 0.06 0.21 0.04 -0.04 7.59 7.85 1mx5A1 TRP 1175 HZ2 -0.02 -0.00 0.02 -0.04 7.44 7.40 1mx5A1 TRP 1175 HZ3 0.05 0.00 -0.14 -0.04 7.13 7.01 1mx5A1 TRP 1175 HH2 0.03 -0.04 -0.31 -0.04 7.19 6.83 1mx5A1 GLY 1176 H 0.37 0.45 -0.58 -0.55 8.43 8.13 1mx5A1 GLY 1176 HA2 0.22 0.15 0.66 -0.51 4.01 4.54 1mx5A1 GLY 1176 HA3 -0.09 0.12 -0.15 -0.51 4.01 3.38 1mx5A1 PHE 1177 H 0.34 0.46 -0.18 -0.55 8.34 8.40 1mx5A1 PHE 1177 HA -0.05 -0.12 0.79 -0.75 4.62 4.48 1mx5A1 PHE 1177 HB2 0.03 0.09 -0.23 -0.04 3.15 3.00 1mx5A1 PHE 1177 HB3 -0.04 0.08 -0.09 -0.04 3.06 2.97 1mx5A1 PHE 1177 HD2 0.00 0.01 -0.16 -0.04 7.28 7.09 1mx5A1 PHE 1177 HE2 -0.30 0.02 -0.02 -0.04 7.38 7.03 1mx5A1 PHE 1177 HZ -0.44 0.00 -0.12 -0.04 7.32 6.72 1mx5A1 PHE 1178 H 0.53 0.31 0.00 -0.55 8.34 8.63 1mx5A1 PHE 1178 HA 0.04 -0.02 0.41 -0.75 4.62 4.31 1mx5A1 PHE 1178 HB2 0.07 0.03 0.18 -0.04 3.15 3.39 1mx5A1 PHE 1178 HB3 -0.03 0.03 0.11 -0.04 3.06 3.13 1mx5A1 PHE 1178 HD2 -0.36 -0.01 -0.12 -0.04 7.28 6.75 1mx5A1 PHE 1178 HE2 -0.17 0.01 -0.08 -0.04 7.38 7.10 1mx5A1 PHE 1178 HZ -0.12 -0.06 -0.15 -0.04 7.32 6.96 1mx5A1 SER 1179 H -0.61 0.18 0.25 -0.55 8.46 7.73 1mx5A1 SER 1179 HA -0.24 0.42 0.75 -0.75 4.49 4.66 1mx5A1 SER 1179 HB2 -0.21 0.01 -0.06 -0.04 3.95 3.65 1mx5A1 SER 1179 HB3 -0.21 -0.04 0.09 -0.04 3.93 3.73 1mx5A1 THR 1180 H -0.16 0.54 0.17 -0.55 8.28 8.28 1mx5A1 THR 1180 HA -0.23 0.22 0.84 -0.75 4.39 4.46 1mx5A1 THR 1180 HB 0.00 -0.08 0.08 -0.04 4.32 4.28 1mx5A1 THR 1180 HG23 0.00 0.03 -0.13 -0.04 1.22 1.09 1mx5A1 GLY 1181 H -0.12 0.27 -0.01 -0.55 8.43 8.01 1mx5A1 GLY 1181 HA2 -0.08 0.10 0.32 -0.51 4.01 3.85 1mx5A1 GLY 1181 HA3 -0.06 0.04 0.59 -0.51 4.01 4.07 1mx5A1 ASP 1182 H -0.02 -0.05 -0.51 -0.55 8.40 7.28 1mx5A1 ASP 1182 HA -0.03 0.34 0.82 -0.75 4.63 5.01 1mx5A1 ASP 1182 HB2 -0.03 -0.06 0.15 -0.04 2.71 2.73 1mx5A1 ASP 1182 HB3 0.01 0.12 -0.15 -0.04 2.70 2.64 1mx5A1 GLU 1183 H -0.10 0.19 0.12 -0.55 8.60 8.27 1mx5A1 GLU 1183 HA -0.00 0.14 0.39 -0.75 4.29 4.06 1mx5A1 GLU 1183 HB2 -0.06 0.09 0.12 -0.04 2.09 2.20 1mx5A1 GLU 1183 HB3 -0.08 0.04 0.13 -0.04 1.99 2.04 1mx5A1 GLU 1183 HG2 -0.44 0.04 -0.29 -0.04 2.34 1.60 1mx5A1 GLU 1183 HG3 -0.18 0.06 -0.02 -0.04 2.34 2.16 1mx5A1 HIS 1184 H -0.04 -0.04 -0.45 -0.55 8.41 7.33 1mx5A1 HIS 1184 HA 0.08 0.19 0.49 -0.75 4.63 4.63 1mx5A1 HIS 1184 HB2 0.05 -0.07 -0.12 -0.04 3.26 3.09 1mx5A1 HIS 1184 HB3 0.07 0.07 -0.07 -0.04 3.20 3.23 1mx5A1 HIS 1184 HD2 0.02 -0.02 0.00 -0.04 6.97 6.93 1mx5A1 HIS 1184 HE1 0.02 0.07 -0.02 -0.04 7.75 7.78 1mx5A1 SER 1185 H 0.15 0.23 -0.48 -0.55 8.46 7.82 1mx5A1 SER 1185 HA 0.57 0.24 0.33 -0.75 4.49 4.87 1mx5A1 SER 1185 HB2 0.25 0.26 -0.07 -0.04 3.95 4.35 1mx5A1 SER 1185 HB3 0.14 -0.26 -0.09 -0.04 3.93 3.68 1mx5A1 ARG 1186 H 0.23 0.22 0.04 -0.55 8.46 8.39 1mx5A1 ARG 1186 HA -0.07 0.01 0.32 -0.75 4.34 3.84 1mx5A1 ARG 1186 HB2 -0.18 0.04 0.08 -0.04 1.90 1.80 1mx5A1 ARG 1186 HB3 -0.19 -0.06 -0.06 -0.04 1.80 1.45 1mx5A1 ARG 1186 HG2 -0.03 -0.01 -0.11 -0.04 1.67 1.47 1mx5A1 ARG 1186 HG3 0.06 -0.02 0.04 -0.04 1.67 1.71 1mx5A1 ARG 1186 HD2 0.03 0.01 -0.04 -0.04 3.22 3.17 1mx5A1 ARG 1186 HD3 -0.06 -0.03 -0.09 -0.04 3.22 3.00 1mx5A1 GLY 1187 H -1.20 0.12 -0.20 -0.55 8.43 6.60 1mx5A1 GLY 1187 HA2 -0.80 0.27 0.00 -0.51 4.01 2.97 1mx5A1 GLY 1187 HA3 -0.40 0.17 0.74 -0.51 4.01 4.01 1mx5A1 ASN 1188 H -0.25 0.27 0.11 -0.55 8.53 8.12 1mx5A1 ASN 1188 HA 0.00 0.05 0.36 -0.75 4.76 4.42 1mx5A1 ASN 1188 HB2 -0.23 0.21 -0.06 -0.04 2.88 2.76 1mx5A1 ASN 1188 HB3 0.10 -0.08 0.20 -0.04 2.79 2.97 1mx5A1 ASN 1188 HD21 -0.09 0.43 0.06 -0.04 7.03 7.39 1mx5A1 ASN 1188 HD22 -0.13 -0.10 -0.09 -0.04 7.74 7.38 1mx5A1 TRP 1189 H -0.87 0.14 -0.38 -0.55 7.97 6.31 1mx5A1 TRP 1189 HA -0.02 0.06 0.25 -0.75 4.62 4.15 1mx5A1 TRP 1189 HB2 -0.10 -0.05 0.11 -0.04 3.23 3.15 1mx5A1 TRP 1189 HB3 0.00 0.09 0.02 -0.04 3.23 3.29 1mx5A1 TRP 1189 HD1 0.21 -0.03 -0.34 -0.04 7.22 7.01 1mx5A1 TRP 1189 HE1 0.25 0.22 -0.07 -0.04 10.20 10.56 1mx5A1 TRP 1189 HE3 0.04 -0.01 -0.34 -0.04 7.59 7.23 1mx5A1 TRP 1189 HZ2 0.10 -0.10 -0.12 -0.04 7.44 7.29 1mx5A1 TRP 1189 HZ3 0.05 -0.00 -0.13 -0.04 7.13 7.01 1mx5A1 TRP 1189 HH2 0.06 -0.06 -0.04 -0.04 7.19 7.11 1mx5A1 GLY 1190 H -0.71 0.67 -0.04 -0.55 8.43 7.80 1mx5A1 GLY 1190 HA2 0.07 -0.08 0.42 -0.51 4.01 3.91 1mx5A1 GLY 1190 HA3 -0.26 0.21 0.24 -0.51 4.01 3.69 1mx5A1 HIS 1191 H -0.26 0.15 -0.30 -0.55 8.41 7.46 1mx5A1 HIS 1191 HA -0.11 0.04 0.41 -0.75 4.63 4.22 1mx5A1 HIS 1191 HB2 -0.04 0.16 0.14 -0.04 3.26 3.48 1mx5A1 HIS 1191 HB3 -0.05 0.00 -0.01 -0.04 3.20 3.10 1mx5A1 HIS 1191 HD2 0.18 -0.07 0.08 -0.04 6.97 7.11 1mx5A1 HIS 1191 HE1 -0.09 0.00 -0.10 -0.04 7.75 7.52 1mx5A1 LEU 1192 H 0.09 0.51 -0.13 -0.55 8.37 8.29 1mx5A1 LEU 1192 HA 0.10 0.01 0.42 -0.75 4.35 4.12 1mx5A1 LEU 1192 HB2 0.23 0.17 0.16 -0.04 1.64 2.15 1mx5A1 LEU 1192 HB3 0.17 0.01 0.08 -0.04 1.64 1.86 1mx5A1 LEU 1192 HG 0.08 0.10 -0.02 -0.04 1.64 1.76 1mx5A1 LEU 1192 HD13 0.33 -0.00 -0.04 -0.04 0.93 1.18 1mx5A1 LEU 1192 HD23 0.07 -0.03 -0.05 -0.04 0.89 0.85 1mx5A1 ASP 1193 H 0.13 0.44 -0.24 -0.55 8.40 8.18 1mx5A1 ASP 1193 HA 0.28 0.04 0.42 -0.75 4.63 4.62 1mx5A1 ASP 1193 HB2 0.24 0.20 0.25 -0.04 2.71 3.36 1mx5A1 ASP 1193 HB3 0.42 0.04 0.11 -0.04 2.70 3.22 1mx5A1 GLN 1194 H 0.03 0.39 -0.25 -0.55 8.47 8.09 1mx5A1 GLN 1194 HA -0.09 0.02 0.33 -0.75 4.36 3.87 1mx5A1 GLN 1194 HB2 -0.07 0.18 0.15 -0.04 2.15 2.37 1mx5A1 GLN 1194 HB3 -0.14 -0.03 -0.06 -0.04 2.02 1.74 1mx5A1 GLN 1194 HG2 -0.32 -0.04 -0.10 -0.04 2.40 1.89 1mx5A1 GLN 1194 HG3 -0.25 0.17 0.00 -0.04 2.39 2.27 1mx5A1 GLN 1194 HE21 -0.74 -0.06 -0.14 -0.04 6.97 5.99 1mx5A1 GLN 1194 HE22 -2.28 0.01 -0.17 -0.04 7.69 5.20 1mx5A1 VAL 1195 H 0.03 0.46 -0.12 -0.55 8.24 8.06 1mx5A1 VAL 1195 HA 0.01 0.05 0.37 -0.75 4.13 3.80 1mx5A1 VAL 1195 HB 0.07 0.07 0.10 -0.04 2.12 2.32 1mx5A1 VAL 1195 HG13 0.07 0.00 -0.17 -0.04 0.97 0.83 1mx5A1 VAL 1195 HG23 0.02 0.01 -0.07 -0.04 0.95 0.88 1mx5A1 ALA 1196 H 0.11 0.60 -0.20 -0.55 8.40 8.35 1mx5A1 ALA 1196 HA 0.15 0.01 0.42 -0.75 4.34 4.17 1mx5A1 ALA 1196 HB3 0.29 0.05 0.07 -0.04 1.41 1.77 1mx5A1 ALA 1197 H -0.16 0.51 -0.23 -0.55 8.40 7.98 1mx5A1 ALA 1197 HA -0.45 0.01 0.42 -0.75 4.34 3.57 1mx5A1 ALA 1197 HB3 -0.86 0.04 0.04 -0.04 1.41 0.58 1mx5A1 LEU 1198 H -0.03 0.39 -0.33 -0.55 8.37 7.86 1mx5A1 LEU 1198 HA 0.06 0.02 0.49 -0.75 4.35 4.16 1mx5A1 LEU 1198 HB2 0.03 0.14 0.16 -0.04 1.64 1.93 1mx5A1 LEU 1198 HB3 0.06 0.07 0.02 -0.04 1.64 1.75 1mx5A1 LEU 1198 HG -0.06 0.14 -0.03 -0.04 1.64 1.65 1mx5A1 LEU 1198 HD13 -0.07 -0.02 -0.13 -0.04 0.93 0.67 1mx5A1 LEU 1198 HD23 0.01 -0.00 -0.08 -0.04 0.89 0.78 1mx5A1 ARG 1199 H 0.10 0.44 -0.17 -0.55 8.46 8.28 1mx5A1 ARG 1199 HA 0.07 0.09 0.51 -0.75 4.34 4.26 1mx5A1 ARG 1199 HB2 0.15 0.13 0.16 -0.04 1.90 2.30 1mx5A1 ARG 1199 HB3 0.09 -0.08 0.01 -0.04 1.80 1.78 1mx5A1 ARG 1199 HG2 0.07 0.01 0.02 -0.04 1.67 1.73 1mx5A1 ARG 1199 HG3 0.09 0.19 0.04 -0.04 1.67 1.95 1mx5A1 ARG 1199 HD2 0.10 -0.02 -0.01 -0.04 3.22 3.25 1mx5A1 ARG 1199 HD3 0.07 -0.06 -0.00 -0.04 3.22 3.19 1mx5A1 TRP 1200 H 0.30 0.51 -0.16 -0.55 7.97 8.08 1mx5A1 TRP 1200 HA 0.05 -0.01 0.40 -0.75 4.62 4.31 1mx5A1 TRP 1200 HB2 0.15 0.14 0.16 -0.04 3.23 3.63 1mx5A1 TRP 1200 HB3 0.03 0.16 0.11 -0.04 3.23 3.49 1mx5A1 TRP 1200 HD1 0.20 0.02 0.03 -0.04 7.22 7.43 1mx5A1 TRP 1200 HE1 0.22 -0.02 -0.04 -0.04 10.20 10.32 1mx5A1 TRP 1200 HE3 0.00 0.11 -0.41 -0.04 7.59 7.26 1mx5A1 TRP 1200 HZ2 0.20 -0.01 -0.12 -0.04 7.44 7.47 1mx5A1 TRP 1200 HZ3 -0.15 0.00 -0.21 -0.04 7.13 6.74 1mx5A1 TRP 1200 HH2 -0.35 0.00 -0.18 -0.04 7.19 6.62 1mx5A1 VAL 1201 H 0.29 0.47 -0.33 -0.55 8.24 8.12 1mx5A1 VAL 1201 HA 0.16 -0.07 0.36 -0.75 4.13 3.83 1mx5A1 VAL 1201 HB 0.13 0.24 0.12 -0.04 2.12 2.58 1mx5A1 VAL 1201 HG13 0.12 -0.02 -0.14 -0.04 0.97 0.89 1mx5A1 VAL 1201 HG23 0.27 0.07 -0.02 -0.04 0.95 1.23 1mx5A1 GLN 1202 H 0.05 0.40 -0.31 -0.55 8.47 8.06 1mx5A1 GLN 1202 HA 0.01 0.02 0.43 -0.75 4.36 4.07 1mx5A1 GLN 1202 HB2 0.01 0.14 0.25 -0.04 2.15 2.52 1mx5A1 GLN 1202 HB3 0.00 -0.09 0.04 -0.04 2.02 1.93 1mx5A1 GLN 1202 HG2 0.05 0.22 0.17 -0.04 2.40 2.80 1mx5A1 GLN 1202 HG3 0.04 -0.04 0.08 -0.04 2.39 2.42 1mx5A1 GLN 1202 HE21 0.14 0.34 0.09 -0.04 6.97 7.49 1mx5A1 GLN 1202 HE22 0.06 -0.02 0.03 -0.04 7.69 7.72 1mx5A1 ASP 1203 H -0.14 0.47 -0.20 -0.55 8.40 7.98 1mx5A1 ASP 1203 HA -0.13 0.10 0.64 -0.75 4.63 4.48 1mx5A1 ASP 1203 HB2 -0.29 0.05 0.10 -0.04 2.71 2.53 1mx5A1 ASP 1203 HB3 -0.21 -0.11 0.10 -0.04 2.70 2.44 1mx5A1 ASN 1204 H -0.47 0.40 -0.09 -0.55 8.53 7.82 1mx5A1 ASN 1204 HA -0.32 0.19 1.14 -0.75 4.76 5.01 1mx5A1 ASN 1204 HB2 -2.16 0.12 -0.03 -0.04 2.88 0.77 1mx5A1 ASN 1204 HB3 -0.59 -0.08 0.05 -0.04 2.79 2.13 1mx5A1 ASN 1204 HD21 -1.02 -0.06 -0.02 -0.04 7.03 5.88 1mx5A1 ASN 1204 HD22 -2.32 0.37 0.08 -0.04 7.74 5.84 1mx5A1 ILE 1205 H -0.18 0.63 0.12 -0.55 8.25 8.27 1mx5A1 ILE 1205 HA 0.15 -0.00 0.25 -0.75 4.18 3.83 1mx5A1 ILE 1205 HB 0.05 0.09 0.14 -0.04 1.89 2.13 1mx5A1 ILE 1205 HG12 0.11 0.04 -0.15 -0.04 1.49 1.45 1mx5A1 ILE 1205 HG13 0.13 -0.10 -0.11 -0.04 1.21 1.09 1mx5A1 ILE 1205 HG23 0.04 0.05 -0.32 -0.04 0.93 0.66 1mx5A1 ILE 1205 HD13 0.14 -0.01 -0.09 -0.04 0.88 0.87 1mx5A1 ALA 1206 H -0.03 0.16 -0.35 -0.55 8.40 7.63 1mx5A1 ALA 1206 HA 0.02 0.46 0.50 -0.75 4.34 4.58 1mx5A1 ALA 1206 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.40 1mx5A1 SER 1207 H -0.05 0.31 -0.23 -0.55 8.46 7.94 1mx5A1 SER 1207 HA -0.14 0.02 0.41 -0.75 4.49 4.02 1mx5A1 SER 1207 HB2 -0.22 0.17 0.11 -0.04 3.95 3.97 1mx5A1 SER 1207 HB3 -0.45 -0.10 0.05 -0.04 3.93 3.39 1mx5A1 PHE 1208 H 0.23 0.39 -0.46 -0.55 8.34 7.95 1mx5A1 PHE 1208 HA -0.01 0.13 0.75 -0.75 4.62 4.73 1mx5A1 PHE 1208 HB2 0.04 0.07 0.02 -0.04 3.15 3.25 1mx5A1 PHE 1208 HB3 0.05 -0.06 0.09 -0.04 3.06 3.10 1mx5A1 PHE 1208 HD2 -0.23 0.08 -0.10 -0.04 7.28 6.99 1mx5A1 PHE 1208 HE2 -0.88 -0.02 -0.15 -0.04 7.38 6.29 1mx5A1 PHE 1208 HZ -0.02 -0.01 -0.15 -0.04 7.32 7.10 1mx5A1 GLY 1209 H 0.04 0.57 -0.36 -0.55 8.43 8.13 1mx5A1 GLY 1209 HA2 0.05 0.07 0.38 -0.51 4.01 4.00 1mx5A1 GLY 1209 HA3 0.09 -0.08 0.37 -0.51 4.01 3.88 1mx5A1 GLY 1210 H 0.11 0.41 -0.09 -0.55 8.43 8.31 1mx5A1 GLY 1210 HA2 0.08 0.16 0.80 -0.51 4.01 4.54 1mx5A1 GLY 1210 HA3 0.10 -0.02 0.08 -0.51 4.01 3.66 1mx5A1 ASN 1211 H 0.05 0.75 0.03 -0.55 8.53 8.81 1mx5A1 ASN 1211 HA 0.02 0.18 0.82 -0.75 4.76 5.03 1mx5A1 ASN 1211 HB2 0.01 -0.02 -0.07 -0.04 2.88 2.76 1mx5A1 ASN 1211 HB3 0.02 0.16 -0.10 -0.04 2.79 2.82 1mx5A1 ASN 1211 HD21 -0.07 0.03 -0.22 -0.04 7.03 6.73 1mx5A1 ASN 1211 HD22 -0.03 0.14 -0.09 -0.04 7.74 7.72 1mx5A1 PRO 1212 HA 0.08 0.08 0.26 -0.51 4.44 4.35 1mx5A1 PRO 1212 HB2 0.03 0.06 0.05 -0.04 2.28 2.39 1mx5A1 PRO 1212 HB3 0.01 0.11 0.14 -0.04 2.02 2.24 1mx5A1 PRO 1212 HG2 0.01 -0.02 0.03 -0.04 2.03 2.00 1mx5A1 PRO 1212 HG3 -0.01 0.05 0.08 -0.04 2.03 2.11 1mx5A1 PRO 1212 HD2 0.01 0.07 0.28 -0.04 3.68 4.00 1mx5A1 PRO 1212 HD3 0.01 0.17 0.08 -0.04 3.65 3.87 1mx5A1 GLY 1213 H 0.00 -0.00 -0.62 -0.55 8.43 7.26 1mx5A1 GLY 1213 HA2 -0.07 0.10 0.40 -0.51 4.01 3.94 1mx5A1 GLY 1213 HA3 -0.11 -0.04 0.22 -0.51 4.01 3.57 1mx5A1 SER 1214 H 0.04 0.66 -0.38 -0.55 8.46 8.23 1mx5A1 SER 1214 HA -0.01 0.18 0.82 -0.75 4.49 4.73 1mx5A1 SER 1214 HB2 -0.07 -0.01 -0.10 -0.04 3.95 3.72 1mx5A1 SER 1214 HB3 -0.00 -0.08 0.16 -0.04 3.93 3.97 1mx5A1 VAL 1215 H 0.76 0.20 -0.07 -0.55 8.24 8.58 1mx5A1 VAL 1215 HA 0.12 0.20 0.98 -0.75 4.13 4.67 1mx5A1 VAL 1215 HB 0.04 0.05 0.14 -0.04 2.12 2.31 1mx5A1 VAL 1215 HG13 0.10 -0.03 -0.15 -0.04 0.97 0.85 1mx5A1 VAL 1215 HG23 0.12 0.01 -0.11 -0.04 0.95 0.93 1mx5A1 THR 1216 H 0.09 0.80 0.38 -0.55 8.28 9.00 1mx5A1 THR 1216 HA 0.09 0.21 1.08 -0.75 4.39 5.01 1mx5A1 THR 1216 HB -0.01 0.01 0.17 -0.04 4.32 4.45 1mx5A1 THR 1216 HG23 0.01 -0.04 -0.38 -0.04 1.22 0.77 1mx5A1 ILE 1217 H 0.08 0.52 0.37 -0.55 8.25 8.68 1mx5A1 ILE 1217 HA 0.16 0.22 1.04 -0.75 4.18 4.85 1mx5A1 ILE 1217 HB -0.16 -0.05 0.03 -0.04 1.89 1.67 1mx5A1 ILE 1217 HG12 -0.27 0.13 0.13 -0.04 1.49 1.44 1mx5A1 ILE 1217 HG13 -0.18 -0.16 0.15 -0.04 1.21 0.97 1mx5A1 ILE 1217 HG23 -0.15 0.01 -0.09 -0.04 0.93 0.66 1mx5A1 ILE 1217 HD13 -0.94 -0.01 -0.07 -0.04 0.88 -0.18 1mx5A1 PHE 1218 H 0.40 0.72 0.36 -0.55 8.34 9.27 1mx5A1 PHE 1218 HA 0.02 0.25 0.80 -0.75 4.62 4.93 1mx5A1 PHE 1218 HB2 0.26 -0.06 0.04 -0.04 3.15 3.35 1mx5A1 PHE 1218 HB3 0.15 0.08 -0.23 -0.04 3.06 3.03 1mx5A1 PHE 1218 HD2 0.47 0.06 -0.17 -0.04 7.28 7.60 1mx5A1 PHE 1218 HE2 0.09 -0.01 -0.43 -0.04 7.38 6.99 1mx5A1 PHE 1218 HZ -0.03 0.01 -0.20 -0.04 7.32 7.06 1mx5A1 GLY 1219 H -0.03 0.57 0.32 -0.55 8.43 8.74 1mx5A1 GLY 1219 HA2 -1.98 0.10 0.62 -0.51 4.01 2.24 1mx5A1 GLY 1219 HA3 -0.68 0.13 0.10 -0.51 4.01 3.05 1mx5A1 GLU 1220 H -0.72 0.34 0.17 -0.55 8.60 7.84 1mx5A1 GLU 1220 HA 0.06 0.40 1.03 -0.75 4.29 5.04 1mx5A1 GLU 1220 HB2 0.60 0.06 -0.07 -0.04 2.09 2.64 1mx5A1 GLU 1220 HB3 0.23 -0.05 0.12 -0.04 1.99 2.24 1mx5A1 GLU 1220 HG2 0.03 0.06 0.01 -0.04 2.34 2.40 1mx5A1 GLU 1220 HG3 0.01 -0.03 -0.02 -0.04 2.34 2.25 1mx5A1 SER 1221 H 0.12 0.85 0.30 -0.55 8.46 9.18 1mx5A1 SER 1221 HA 0.34 0.55 0.64 -0.75 4.49 5.26 1mx5A1 SER 1221 HB2 0.26 0.00 -0.17 -0.04 3.95 4.00 1mx5A1 SER 1221 HB3 0.24 -0.42 0.45 -0.04 3.93 4.16 1mx5A1 ALA 1222 H 0.13 -0.06 0.40 -0.55 8.40 8.32 1mx5A1 ALA 1222 HA 0.01 0.15 0.44 -0.75 4.34 4.18 1mx5A1 ALA 1222 HB3 0.02 0.02 0.13 -0.04 1.41 1.54 1mx5A1 GLY 1223 H -0.07 0.38 -0.20 -0.55 8.43 7.99 1mx5A1 GLY 1223 HA2 -0.27 0.12 0.31 -0.51 4.01 3.66 1mx5A1 GLY 1223 HA3 -0.40 0.30 0.09 -0.51 4.01 3.49 1mx5A1 GLY 1224 H -0.06 0.02 -1.17 -0.55 8.43 6.66 1mx5A1 GLY 1224 HA2 -0.05 0.11 0.37 -0.51 4.01 3.93 1mx5A1 GLY 1224 HA3 0.02 0.07 0.08 -0.51 4.01 3.67 1mx5A1 GLU 1225 H -0.01 0.55 -0.38 -0.55 8.60 8.22 1mx5A1 GLU 1225 HA -0.02 -0.11 -0.02 -0.75 4.29 3.38 1mx5A1 GLU 1225 HB2 -0.01 -0.04 -0.10 -0.04 2.09 1.90 1mx5A1 GLU 1225 HB3 -0.03 0.09 -0.02 -0.04 1.99 1.99 1mx5A1 GLU 1225 HG2 -0.06 -0.10 -0.38 -0.04 2.34 1.76 1mx5A1 GLU 1225 HG3 -0.06 0.06 -0.14 -0.04 2.34 2.15 1mx5A1 SER 1226 H -0.10 0.39 -0.53 -0.55 8.46 7.68 1mx5A1 SER 1226 HA -0.02 -0.00 0.36 -0.75 4.49 4.07 1mx5A1 SER 1226 HB2 -0.23 0.14 0.08 -0.04 3.95 3.89 1mx5A1 SER 1226 HB3 -0.18 -0.02 -0.07 -0.04 3.93 3.62 1mx5A1 VAL 1227 H -0.15 0.50 -0.29 -0.55 8.24 7.75 1mx5A1 VAL 1227 HA -0.26 0.04 0.29 -0.75 4.13 3.45 1mx5A1 VAL 1227 HB -0.06 0.14 0.12 -0.04 2.12 2.28 1mx5A1 VAL 1227 HG13 -0.11 -0.00 -0.29 -0.04 0.97 0.52 1mx5A1 VAL 1227 HG23 -0.15 0.03 -0.14 -0.04 0.95 0.65 1mx5A1 SER 1228 H -0.04 0.59 -0.19 -0.55 8.46 8.27 1mx5A1 SER 1228 HA -0.04 0.07 0.30 -0.75 4.49 4.07 1mx5A1 SER 1228 HB2 0.10 0.10 0.14 -0.04 3.95 4.24 1mx5A1 SER 1228 HB3 -0.02 0.14 0.07 -0.04 3.93 4.08 1mx5A1 VAL 1229 H -0.12 0.40 -0.50 -0.55 8.24 7.47 1mx5A1 VAL 1229 HA -0.12 0.01 0.43 -0.75 4.13 3.69 1mx5A1 VAL 1229 HB -0.25 0.14 0.14 -0.04 2.12 2.11 1mx5A1 VAL 1229 HG13 -0.37 -0.03 -0.21 -0.04 0.97 0.33 1mx5A1 VAL 1229 HG23 -0.20 0.04 -0.03 -0.04 0.95 0.71 1mx5A1 LEU 1230 H -0.19 0.63 -0.02 -0.55 8.37 8.23 1mx5A1 LEU 1230 HA -0.09 -0.05 0.39 -0.75 4.35 3.85 1mx5A1 LEU 1230 HB2 -0.45 0.10 0.07 -0.04 1.64 1.31 1mx5A1 LEU 1230 HB3 -0.33 0.01 -0.03 -0.04 1.64 1.25 1mx5A1 LEU 1230 HG -0.19 0.17 0.01 -0.04 1.64 1.60 1mx5A1 LEU 1230 HD13 -0.27 -0.01 -0.14 -0.04 0.93 0.47 1mx5A1 LEU 1230 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.68 1mx5A1 VAL 1231 H -0.19 0.48 -0.34 -0.55 8.24 7.64 1mx5A1 VAL 1231 HA 0.40 0.05 0.26 -0.75 4.13 4.09 1mx5A1 VAL 1231 HB -0.18 0.13 0.01 -0.04 2.12 2.04 1mx5A1 VAL 1231 HG13 -0.05 -0.01 -0.12 -0.04 0.97 0.75 1mx5A1 VAL 1231 HG23 -0.44 0.04 -0.09 -0.04 0.95 0.42 1mx5A1 LEU 1232 H -0.03 0.26 -0.64 -0.55 8.37 7.42 1mx5A1 LEU 1232 HA 0.01 0.18 0.70 -0.75 4.35 4.49 1mx5A1 LEU 1232 HB2 -0.08 0.04 0.06 -0.04 1.64 1.62 1mx5A1 LEU 1232 HB3 -0.08 -0.14 0.09 -0.04 1.64 1.47 1mx5A1 LEU 1232 HG -0.01 0.22 -0.04 -0.04 1.64 1.77 1mx5A1 LEU 1232 HD13 -0.04 -0.08 -0.03 -0.04 0.93 0.75 1mx5A1 LEU 1232 HD23 0.04 0.01 -0.17 -0.04 0.89 0.73 1mx5A1 SER 1233 H 0.04 0.46 -0.23 -0.55 8.46 8.19 1mx5A1 SER 1233 HA -0.11 0.25 1.12 -0.75 4.49 5.00 1mx5A1 SER 1233 HB2 -0.08 -0.02 -0.05 -0.04 3.95 3.76 1mx5A1 SER 1233 HB3 -0.01 -0.03 0.16 -0.04 3.93 4.01 1mx5A1 PRO 1234 HA 0.43 0.09 0.46 -0.51 4.44 4.92 1mx5A1 PRO 1234 HB2 0.03 0.04 0.05 -0.04 2.28 2.36 1mx5A1 PRO 1234 HB3 0.11 0.01 0.10 -0.04 2.02 2.20 1mx5A1 PRO 1234 HG2 -0.11 -0.01 0.08 -0.04 2.03 1.95 1mx5A1 PRO 1234 HG3 -0.36 0.06 0.07 -0.04 2.03 1.76 1mx5A1 PRO 1234 HD2 -0.07 0.18 0.30 -0.04 3.68 4.05 1mx5A1 PRO 1234 HD3 -0.20 0.27 0.40 -0.04 3.65 4.09 1mx5A1 LEU 1235 H 0.04 0.16 -0.12 -0.55 8.37 7.91 1mx5A1 LEU 1235 HA 0.07 0.08 0.38 -0.75 4.35 4.13 1mx5A1 LEU 1235 HB2 0.04 -0.04 -0.01 -0.04 1.64 1.58 1mx5A1 LEU 1235 HB3 0.05 0.02 -0.00 -0.04 1.64 1.67 1mx5A1 LEU 1235 HG 0.01 0.13 0.05 -0.04 1.64 1.80 1mx5A1 LEU 1235 HD13 0.03 -0.05 -0.17 -0.04 0.93 0.70 1mx5A1 LEU 1235 HD23 0.04 -0.00 -0.04 -0.04 0.89 0.84 1mx5A1 ALA 1236 H 0.12 0.23 -0.43 -0.55 8.40 7.77 1mx5A1 ALA 1236 HA 0.12 0.11 0.57 -0.75 4.34 4.39 1mx5A1 ALA 1236 HB3 0.18 0.06 0.04 -0.04 1.41 1.64 1mx5A1 LYS 1237 H 0.18 0.23 -0.38 -0.55 8.42 7.90 1mx5A1 LYS 1237 HA -0.06 -0.00 0.36 -0.75 4.32 3.86 1mx5A1 LYS 1237 HB2 0.24 -0.02 0.18 -0.04 1.87 2.23 1mx5A1 LYS 1237 HB3 0.11 0.10 0.13 -0.04 1.79 2.09 1mx5A1 LYS 1237 HG2 0.04 0.02 -0.20 -0.04 1.46 1.28 1mx5A1 LYS 1237 HG3 0.04 -0.03 0.07 -0.04 1.46 1.50 1mx5A1 LYS 1237 HD2 0.01 -0.03 0.06 -0.04 1.69 1.69 1mx5A1 LYS 1237 HD3 0.05 -0.00 0.01 -0.04 1.68 1.69 1mx5A1 LYS 1237 HE2 -0.13 0.01 -0.01 -0.04 2.99 2.82 1mx5A1 LYS 1237 HE3 -0.26 -0.02 0.04 -0.04 2.99 2.71 1mx5A1 ASN 1238 H -0.16 0.16 0.19 -0.55 8.53 8.17 1mx5A1 ASN 1238 HA -0.02 0.06 0.36 -0.75 4.76 4.41 1mx5A1 ASN 1238 HB2 0.02 0.25 0.06 -0.04 2.88 3.16 1mx5A1 ASN 1238 HB3 0.02 -0.03 0.18 -0.04 2.79 2.91 1mx5A1 ASN 1238 HD21 -0.05 -0.06 -0.06 -0.04 7.03 6.81 1mx5A1 ASN 1238 HD22 0.00 0.06 -0.12 -0.04 7.74 7.64 1mx5A1 LEU 1239 H -0.03 0.43 -0.31 -0.55 8.37 7.91 1mx5A1 LEU 1239 HA 0.01 0.12 0.69 -0.75 4.35 4.41 1mx5A1 LEU 1239 HB2 0.22 0.13 0.05 -0.04 1.64 2.01 1mx5A1 LEU 1239 HB3 0.10 -0.13 0.01 -0.04 1.64 1.57 1mx5A1 LEU 1239 HG 0.07 0.23 -0.29 -0.04 1.64 1.61 1mx5A1 LEU 1239 HD13 0.08 -0.05 0.04 -0.04 0.93 0.96 1mx5A1 LEU 1239 HD23 0.05 -0.02 -0.14 -0.04 0.89 0.74 1mx5A1 PHE 1240 H -0.38 0.14 0.01 -0.55 8.34 7.56 1mx5A1 PHE 1240 HA -0.36 0.18 0.65 -0.75 4.62 4.33 1mx5A1 PHE 1240 HB2 -0.13 0.01 0.09 -0.04 3.15 3.08 1mx5A1 PHE 1240 HB3 -0.11 0.02 -0.19 -0.04 3.06 2.73 1mx5A1 PHE 1240 HD2 -0.12 0.00 -0.24 -0.04 7.28 6.87 1mx5A1 PHE 1240 HE2 -0.14 0.01 -0.28 -0.04 7.38 6.94 1mx5A1 PHE 1240 HZ -0.11 0.06 -0.31 -0.04 7.32 6.91 1mx5A1 HIS 1241 H -0.05 0.76 0.39 -0.55 8.41 8.96 1mx5A1 HIS 1241 HA -0.23 0.15 0.95 -0.75 4.63 4.75 1mx5A1 HIS 1241 HB2 -0.06 0.05 0.03 -0.04 3.26 3.24 1mx5A1 HIS 1241 HB3 -0.08 -0.01 0.16 -0.04 3.20 3.23 1mx5A1 HIS 1241 HD2 -0.05 -0.04 -0.05 -0.04 6.97 6.78 1mx5A1 HIS 1241 HE1 0.00 0.40 -0.04 -0.04 7.75 8.06 1mx5A1 ARG 1242 H 0.12 0.19 0.30 -0.55 8.46 8.53 1mx5A1 ARG 1242 HA -0.01 0.22 0.62 -0.75 4.34 4.41 1mx5A1 ARG 1242 HB2 -0.15 -0.12 -0.11 -0.04 1.90 1.48 1mx5A1 ARG 1242 HB3 -0.50 0.03 0.06 -0.04 1.80 1.35 1mx5A1 ARG 1242 HG2 -0.12 0.36 -0.51 -0.04 1.67 1.36 1mx5A1 ARG 1242 HG3 -0.05 -0.11 -0.41 -0.04 1.67 1.07 1mx5A1 ARG 1242 HD2 -0.33 -0.06 -0.05 -0.04 3.22 2.74 1mx5A1 ARG 1242 HD3 -0.53 -0.12 -0.05 -0.04 3.22 2.48 1mx5A1 ALA 1243 H 0.19 0.74 0.32 -0.55 8.40 9.10 1mx5A1 ALA 1243 HA 0.11 0.37 1.12 -0.75 4.34 5.19 1mx5A1 ALA 1243 HB3 -0.15 -0.02 -0.07 -0.04 1.41 1.12 1mx5A1 ILE 1244 H 0.16 0.57 0.38 -0.55 8.25 8.81 1mx5A1 ILE 1244 HA 0.13 0.27 1.04 -0.75 4.18 4.87 1mx5A1 ILE 1244 HB 0.24 -0.09 0.11 -0.04 1.89 2.11 1mx5A1 ILE 1244 HG12 -0.20 0.05 -0.15 -0.04 1.49 1.15 1mx5A1 ILE 1244 HG13 0.16 0.01 -0.61 -0.04 1.21 0.74 1mx5A1 ILE 1244 HG23 -0.18 -0.03 -0.21 -0.04 0.93 0.46 1mx5A1 ILE 1244 HD13 -0.49 -0.00 -0.17 -0.04 0.88 0.17 1mx5A1 SER 1245 H 0.09 0.75 0.37 -0.55 8.46 9.12 1mx5A1 SER 1245 HA 0.10 0.13 1.11 -0.75 4.49 5.07 1mx5A1 SER 1245 HB2 0.02 -0.02 0.22 -0.04 3.95 4.13 1mx5A1 SER 1245 HB3 0.06 0.14 0.07 -0.04 3.93 4.15 1mx5A1 GLU 1246 H 0.13 0.75 0.36 -0.55 8.60 9.29 1mx5A1 GLU 1246 HA 0.24 0.13 0.90 -0.75 4.29 4.80 1mx5A1 GLU 1246 HB2 0.27 -0.04 0.14 -0.04 2.09 2.42 1mx5A1 GLU 1246 HB3 0.29 -0.13 -0.04 -0.04 1.99 2.07 1mx5A1 GLU 1246 HG2 0.66 0.02 -0.21 -0.04 2.34 2.77 1mx5A1 GLU 1246 HG3 0.46 0.10 -0.28 -0.04 2.34 2.59 1mx5A1 SER 1247 H 0.09 0.57 0.22 -0.55 8.46 8.79 1mx5A1 SER 1247 HA 0.12 0.08 0.49 -0.75 4.49 4.42 1mx5A1 SER 1247 HB2 0.00 0.00 0.10 -0.04 3.95 4.02 1mx5A1 SER 1247 HB3 -0.03 0.02 0.27 -0.04 3.93 4.14 1mx5A1 GLY 1248 H 0.16 0.21 -0.17 -0.55 8.43 8.08 1mx5A1 GLY 1248 HA2 0.24 0.03 0.36 -0.51 4.01 4.14 1mx5A1 GLY 1248 HA3 0.19 0.17 0.58 -0.51 4.01 4.43 1mx5A1 VAL 1249 H 0.00 0.25 0.13 -0.55 8.24 8.07 1mx5A1 VAL 1249 HA 0.02 0.28 0.63 -0.75 4.13 4.30 1mx5A1 VAL 1249 HB -0.00 -0.04 0.06 -0.04 2.12 2.09 1mx5A1 VAL 1249 HG13 -0.01 0.02 -0.20 -0.04 0.97 0.74 1mx5A1 VAL 1249 HG23 -0.04 -0.01 -0.35 -0.04 0.95 0.52 1mx5A1 ALA 1250 H -0.00 0.25 0.06 -0.55 8.40 8.16 1mx5A1 ALA 1250 HA -0.07 0.12 0.31 -0.75 4.34 3.95 1mx5A1 ALA 1250 HB3 -0.05 0.04 -0.05 -0.04 1.41 1.31 1mx5A1 LEU 1251 H -0.05 0.06 -0.38 -0.55 8.37 7.45 1mx5A1 LEU 1251 HA -0.09 0.17 0.64 -0.75 4.35 4.31 1mx5A1 LEU 1251 HB2 -0.07 0.02 0.01 -0.04 1.64 1.56 1mx5A1 LEU 1251 HB3 -0.09 0.03 0.13 -0.04 1.64 1.67 1mx5A1 LEU 1251 HG -0.03 -0.04 -0.10 -0.04 1.64 1.43 1mx5A1 LEU 1251 HD13 -0.02 0.04 -0.05 -0.04 0.93 0.85 1mx5A1 LEU 1251 HD23 -0.05 0.02 -0.20 -0.04 0.89 0.62 1mx5A1 THR 1252 H -0.11 0.41 -0.47 -0.55 8.28 7.57 1mx5A1 THR 1252 HA -0.24 0.24 0.61 -0.75 4.39 4.25 1mx5A1 THR 1252 HB -0.14 0.05 0.25 -0.04 4.32 4.43 1mx5A1 THR 1252 HG23 -0.42 0.03 0.09 -0.04 1.22 0.88 1mx5A1 SER 1253 H -0.20 0.56 0.05 -0.55 8.46 8.32 1mx5A1 SER 1253 HA -0.16 -0.00 0.23 -0.75 4.49 3.81 1mx5A1 SER 1253 HB2 -0.20 0.02 -0.01 -0.04 3.95 3.72 1mx5A1 SER 1253 HB3 -0.22 0.02 0.12 -0.04 3.93 3.81 1mx5A1 VAL 1254 H -0.21 0.11 -0.22 -0.55 8.24 7.37 1mx5A1 VAL 1254 HA -0.14 0.19 0.37 -0.75 4.13 3.80 1mx5A1 VAL 1254 HB -0.17 0.13 0.22 -0.04 2.12 2.26 1mx5A1 VAL 1254 HG13 -0.16 -0.04 -0.07 -0.04 0.97 0.65 1mx5A1 VAL 1254 HG23 -0.07 0.01 -0.02 -0.04 0.95 0.83 1mx5A1 LEU 1255 H -0.14 0.51 -0.24 -0.55 8.37 7.95 1mx5A1 LEU 1255 HA -0.13 0.14 0.68 -0.75 4.35 4.28 1mx5A1 LEU 1255 HB2 -0.10 0.15 0.01 -0.04 1.64 1.65 1mx5A1 LEU 1255 HB3 -0.11 -0.11 0.03 -0.04 1.64 1.41 1mx5A1 LEU 1255 HG -0.09 0.01 -0.07 -0.04 1.64 1.45 1mx5A1 LEU 1255 HD13 -0.03 -0.04 -0.05 -0.04 0.93 0.76 1mx5A1 LEU 1255 HD23 -0.09 -0.00 -0.13 -0.04 0.89 0.63 1mx5A1 VAL 1256 H -0.12 0.51 -0.17 -0.55 8.24 7.91 1mx5A1 VAL 1256 HA -0.09 0.20 1.02 -0.75 4.13 4.51 1mx5A1 VAL 1256 HB -0.11 -0.01 0.03 -0.04 2.12 1.99 1mx5A1 VAL 1256 HG13 -0.09 -0.03 -0.23 -0.04 0.97 0.59 1mx5A1 VAL 1256 HG23 -0.10 0.01 -0.16 -0.04 0.95 0.66 1mx5A1 LYS 1257 H -0.08 0.83 0.20 -0.55 8.42 8.81 1mx5A1 LYS 1257 HA -0.07 0.16 0.69 -0.75 4.32 4.34 1mx5A1 LYS 1257 HB2 -0.07 -0.08 0.14 -0.04 1.87 1.82 1mx5A1 LYS 1257 HB3 -0.06 0.01 -0.04 -0.04 1.79 1.66 1mx5A1 LYS 1257 HG2 -0.08 0.03 -0.21 -0.04 1.46 1.15 1mx5A1 LYS 1257 HG3 -0.06 -0.08 -0.05 -0.04 1.46 1.24 1mx5A1 LYS 1257 HD2 -0.04 -0.00 -0.03 -0.04 1.69 1.57 1mx5A1 LYS 1257 HD3 -0.07 0.12 -0.28 -0.04 1.68 1.41 1mx5A1 LYS 1257 HE2 -0.09 -0.04 -0.20 -0.04 2.99 2.62 1mx5A1 LYS 1257 HE3 -0.05 -0.18 0.10 -0.04 2.99 2.82 1mx5A1 LYS 1258 H -0.07 0.27 0.18 -0.55 8.42 8.24 1mx5A1 LYS 1258 HA -0.06 0.06 0.77 -0.75 4.32 4.33 1mx5A1 LYS 1258 HB2 -0.07 0.06 0.10 -0.04 1.87 1.92 1mx5A1 LYS 1258 HB3 -0.05 -0.06 0.03 -0.04 1.79 1.67 1mx5A1 LYS 1258 HG2 -0.07 -0.07 -0.05 -0.04 1.46 1.23 1mx5A1 LYS 1258 HG3 -0.08 0.11 -0.16 -0.04 1.46 1.29 1mx5A1 LYS 1258 HD2 -0.10 0.08 0.00 -0.04 1.69 1.63 1mx5A1 LYS 1258 HD3 -0.07 -0.03 0.00 -0.04 1.68 1.54 1mx5A1 LYS 1258 HE2 -0.08 -0.12 -0.00 -0.04 2.99 2.75 1mx5A1 LYS 1258 HE3 -0.10 0.07 -0.02 -0.04 2.99 2.90 1mx5A1 GLY 1259 H -0.04 0.05 0.14 -0.55 8.43 8.03 1mx5A1 GLY 1259 HA2 -0.03 -0.03 0.35 -0.51 4.01 3.79 1mx5A1 GLY 1259 HA3 -0.03 0.19 0.62 -0.51 4.01 4.28 1mx5A1 ASP 1260 H -0.02 0.10 0.15 -0.55 8.40 8.08 1mx5A1 ASP 1260 HA -0.03 0.03 0.49 -0.75 4.63 4.36 1mx5A1 ASP 1260 HB2 -0.02 0.03 0.16 -0.04 2.71 2.84 1mx5A1 ASP 1260 HB3 -0.02 0.04 0.19 -0.04 2.70 2.88 1mx5A1 VAL 1261 H -0.05 0.14 0.19 -0.55 8.24 7.97 1mx5A1 VAL 1261 HA -0.05 0.23 0.66 -0.75 4.13 4.22 1mx5A1 VAL 1261 HB -0.09 0.02 0.09 -0.04 2.12 2.10 1mx5A1 VAL 1261 HG13 -0.07 0.04 -0.04 -0.04 0.97 0.86 1mx5A1 VAL 1261 HG23 -0.12 -0.01 -0.31 -0.04 0.95 0.48 1mx5A1 LYS 1262 H -0.04 0.03 -0.19 -0.55 8.42 7.66 1mx5A1 LYS 1262 HA -0.06 0.09 0.33 -0.75 4.32 3.92 1mx5A1 LYS 1262 HB2 -0.03 -0.02 0.10 -0.04 1.87 1.88 1mx5A1 LYS 1262 HB3 -0.02 0.04 0.00 -0.04 1.79 1.78 1mx5A1 LYS 1262 HG2 -0.01 -0.00 0.00 -0.04 1.46 1.41 1mx5A1 LYS 1262 HG3 -0.01 -0.03 -0.03 -0.04 1.46 1.34 1mx5A1 LYS 1262 HD2 -0.04 0.06 0.11 -0.04 1.69 1.78 1mx5A1 LYS 1262 HD3 -0.01 0.02 0.09 -0.04 1.68 1.73 1mx5A1 LYS 1262 HE2 0.00 -0.02 0.02 -0.04 2.99 2.95 1mx5A1 LYS 1262 HE3 0.01 -0.07 0.06 -0.04 2.99 2.95 1mx5A1 PRO 1263 HA -0.00 0.03 0.42 -0.51 4.44 4.38 1mx5A1 PRO 1263 HB2 -0.00 0.10 0.01 -0.04 2.28 2.35 1mx5A1 PRO 1263 HB3 -0.00 0.03 0.03 -0.04 2.02 2.05 1mx5A1 PRO 1263 HG2 -0.01 0.11 0.02 -0.04 2.03 2.11 1mx5A1 PRO 1263 HG3 -0.01 0.00 0.01 -0.04 2.03 1.99 1mx5A1 PRO 1263 HD2 -0.02 0.30 -0.26 -0.04 3.68 3.66 1mx5A1 PRO 1263 HD3 -0.02 -0.02 -0.02 -0.04 3.65 3.54 1mx5A1 LEU 1264 H -0.01 0.23 -0.22 -0.55 8.37 7.83 1mx5A1 LEU 1264 HA 0.03 0.06 0.39 -0.75 4.35 4.08 1mx5A1 LEU 1264 HB2 -0.00 0.03 0.12 -0.04 1.64 1.75 1mx5A1 LEU 1264 HB3 -0.02 0.06 0.08 -0.04 1.64 1.71 1mx5A1 LEU 1264 HG 0.07 0.06 0.02 -0.04 1.64 1.75 1mx5A1 LEU 1264 HD13 0.03 0.02 -0.01 -0.04 0.93 0.93 1mx5A1 LEU 1264 HD23 0.16 -0.02 -0.05 -0.04 0.89 0.94 1mx5A1 ALA 1265 H -0.07 0.41 -0.12 -0.55 8.40 8.08 1mx5A1 ALA 1265 HA 0.02 -0.01 0.38 -0.75 4.34 3.98 1mx5A1 ALA 1265 HB3 -0.19 0.12 0.18 -0.04 1.41 1.47 1mx5A1 GLU 1266 H 0.02 0.53 -0.12 -0.55 8.60 8.48 1mx5A1 GLU 1266 HA 0.06 -0.01 0.40 -0.75 4.29 3.98 1mx5A1 GLU 1266 HB2 0.02 0.11 0.13 -0.04 2.09 2.31 1mx5A1 GLU 1266 HB3 0.02 -0.07 0.02 -0.04 1.99 1.92 1mx5A1 GLU 1266 HG2 0.02 -0.07 0.02 -0.04 2.34 2.27 1mx5A1 GLU 1266 HG3 0.01 0.38 0.06 -0.04 2.34 2.74 1mx5A1 GLN 1267 H 0.04 0.62 -0.07 -0.55 8.47 8.51 1mx5A1 GLN 1267 HA 0.02 -0.04 0.40 -0.75 4.36 3.99 1mx5A1 GLN 1267 HB2 0.02 -0.04 0.11 -0.04 2.15 2.20 1mx5A1 GLN 1267 HB3 0.04 0.16 0.20 -0.04 2.02 2.38 1mx5A1 GLN 1267 HG2 0.02 0.03 -0.19 -0.04 2.40 2.22 1mx5A1 GLN 1267 HG3 0.00 -0.08 0.01 -0.04 2.39 2.28 1mx5A1 GLN 1267 HE21 -0.03 0.01 -0.01 -0.04 6.97 6.89 1mx5A1 GLN 1267 HE22 -0.03 -0.03 -0.01 -0.04 7.69 7.57 1mx5A1 ILE 1268 H 0.11 0.59 -0.19 -0.55 8.25 8.21 1mx5A1 ILE 1268 HA 0.08 0.02 0.39 -0.75 4.18 3.91 1mx5A1 ILE 1268 HB 0.29 0.16 0.16 -0.04 1.89 2.46 1mx5A1 ILE 1268 HG12 0.24 -0.04 -0.01 -0.04 1.49 1.64 1mx5A1 ILE 1268 HG13 0.18 0.23 0.04 -0.04 1.21 1.62 1mx5A1 ILE 1268 HG23 0.05 -0.03 -0.14 -0.04 0.93 0.78 1mx5A1 ILE 1268 HD13 0.29 -0.04 -0.06 -0.04 0.88 1.03 1mx5A1 ALA 1269 H 0.10 0.58 -0.05 -0.55 8.40 8.49 1mx5A1 ALA 1269 HA -0.03 0.00 0.35 -0.75 4.34 3.91 1mx5A1 ALA 1269 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 1mx5A1 ILE 1270 H 0.03 0.75 -0.08 -0.55 8.25 8.39 1mx5A1 ILE 1270 HA 0.00 0.06 0.44 -0.75 4.18 3.94 1mx5A1 ILE 1270 HB 0.01 0.10 0.14 -0.04 1.89 2.10 1mx5A1 ILE 1270 HG12 0.01 -0.07 0.01 -0.04 1.49 1.39 1mx5A1 ILE 1270 HG13 0.02 0.27 0.08 -0.04 1.21 1.54 1mx5A1 ILE 1270 HG23 0.00 -0.03 -0.08 -0.04 0.93 0.78 1mx5A1 ILE 1270 HD13 0.01 -0.04 -0.10 -0.04 0.88 0.71 1mx5A1 THR 1271 H 0.01 0.64 -0.09 -0.55 8.28 8.29 1mx5A1 THR 1271 HA -0.01 -0.02 0.41 -0.75 4.39 4.01 1mx5A1 THR 1271 HB 0.00 0.10 0.09 -0.04 4.32 4.47 1mx5A1 THR 1271 HG23 -0.02 -0.03 0.02 -0.04 1.22 1.16 1mx5A1 ALA 1272 H -0.01 0.38 -0.48 -0.55 8.40 7.74 1mx5A1 ALA 1272 HA -0.02 0.04 0.62 -0.75 4.34 4.23 1mx5A1 ALA 1272 HB3 -0.05 -0.01 0.05 -0.04 1.41 1.36 1mx5A1 GLY 1273 H -0.01 0.43 -0.39 -0.55 8.43 7.92 1mx5A1 GLY 1273 HA2 -0.01 0.01 0.29 -0.51 4.01 3.79 1mx5A1 GLY 1273 HA3 -0.01 0.01 0.55 -0.51 4.01 4.05 1mx5A1 CYS 1274 H -0.01 0.55 0.11 -0.55 8.50 8.60 1mx5A1 CYS 1274 HA -0.01 0.11 0.92 -0.75 4.58 4.85 1mx5A1 CYS 1274 HB2 -0.02 0.03 0.02 -0.04 2.97 2.95 1mx5A1 CYS 1274 HB3 -0.02 0.03 -0.01 -0.04 2.97 2.94 1mx5A1 LYS 1275 H 0.00 0.10 0.10 -0.55 8.42 8.06 1mx5A1 LYS 1275 HA 0.00 0.12 0.45 -0.75 4.32 4.14 1mx5A1 LYS 1275 HB2 0.01 0.00 0.05 -0.04 1.87 1.89 1mx5A1 LYS 1275 HB3 0.01 -0.16 0.12 -0.04 1.79 1.72 1mx5A1 LYS 1275 HG2 0.00 0.04 0.01 -0.04 1.46 1.47 1mx5A1 LYS 1275 HG3 0.00 0.06 0.03 -0.04 1.46 1.51 1mx5A1 LYS 1275 HD2 0.01 -0.00 0.02 -0.04 1.69 1.67 1mx5A1 LYS 1275 HD3 0.01 -0.04 0.02 -0.04 1.68 1.62 1mx5A1 LYS 1275 HE2 0.00 0.01 -0.01 -0.04 2.99 2.96 1mx5A1 LYS 1275 HE3 0.00 0.05 0.00 -0.04 2.99 3.01 1mx5A1 THR 1276 H 0.01 0.13 0.10 -0.55 8.28 7.97 1mx5A1 THR 1276 HA 0.02 0.24 0.79 -0.75 4.39 4.68 1mx5A1 THR 1276 HB 0.02 -0.02 0.11 -0.04 4.32 4.39 1mx5A1 THR 1276 HG23 0.02 0.04 -0.13 -0.04 1.22 1.11 1mx5A1 THR 1277 H 0.01 0.06 -0.12 -0.55 8.28 7.68 1mx5A1 THR 1277 HA 0.00 0.06 0.32 -0.75 4.39 4.01 1mx5A1 THR 1277 HB -0.00 -0.05 0.02 -0.04 4.32 4.25 1mx5A1 THR 1277 HG23 -0.00 0.01 -0.10 -0.04 1.22 1.09 1mx5A1 THR 1278 H -0.00 0.16 -0.26 -0.55 8.28 7.63 1mx5A1 THR 1278 HA -0.00 0.26 0.60 -0.75 4.39 4.50 1mx5A1 THR 1278 HB -0.03 -0.01 0.15 -0.04 4.32 4.39 1mx5A1 THR 1278 HG23 -0.01 0.05 -0.26 -0.04 1.22 0.95 1mx5A1 SER 1279 H -0.01 0.20 0.13 -0.55 8.46 8.23 1mx5A1 SER 1279 HA 0.03 0.17 0.42 -0.75 4.49 4.35 1mx5A1 SER 1279 HB2 0.08 -0.06 0.14 -0.04 3.95 4.06 1mx5A1 SER 1279 HB3 0.12 0.03 -0.02 -0.04 3.93 4.02 1mx5A1 ALA 1280 H -0.37 0.10 -0.02 -0.55 8.40 7.56 1mx5A1 ALA 1280 HA -0.16 0.17 0.37 -0.75 4.34 3.97 1mx5A1 ALA 1280 HB3 -0.42 0.03 0.04 -0.04 1.41 1.01 1mx5A1 VAL 1281 H -0.06 -0.01 -0.50 -0.55 8.24 7.11 1mx5A1 VAL 1281 HA 0.03 0.10 0.36 -0.75 4.13 3.87 1mx5A1 VAL 1281 HB -0.00 -0.06 -0.04 -0.04 2.12 1.97 1mx5A1 VAL 1281 HG13 0.02 0.02 -0.13 -0.04 0.97 0.85 1mx5A1 VAL 1281 HG23 -0.02 -0.00 -0.07 -0.04 0.95 0.82 1mx5A1 MET 1282 H 0.01 0.36 -0.22 -0.55 8.47 8.08 1mx5A1 MET 1282 HA 0.01 0.15 0.43 -0.75 4.52 4.36 1mx5A1 MET 1282 HB2 0.08 0.09 0.19 -0.04 2.15 2.47 1mx5A1 MET 1282 HB3 0.11 -0.00 -0.07 -0.04 2.03 2.03 1mx5A1 MET 1282 HG2 0.04 0.22 0.12 -0.04 2.63 2.97 1mx5A1 MET 1282 HG3 0.03 0.05 0.02 -0.04 2.56 2.63 1mx5A1 MET 1282 HE3 0.03 -0.01 -0.14 -0.04 2.10 1.94 1mx5A1 VAL 1283 H 0.05 0.49 -0.05 -0.55 8.24 8.18 1mx5A1 VAL 1283 HA -0.10 0.04 0.35 -0.75 4.13 3.67 1mx5A1 VAL 1283 HB 0.09 -0.00 0.07 -0.04 2.12 2.24 1mx5A1 VAL 1283 HG13 0.11 0.05 -0.06 -0.04 0.97 1.03 1mx5A1 VAL 1283 HG23 0.18 0.06 -0.11 -0.04 0.95 1.05 1mx5A1 HIS 1284 H 0.12 0.52 -0.19 -0.55 8.41 8.31 1mx5A1 HIS 1284 HA 0.02 0.08 0.39 -0.75 4.63 4.36 1mx5A1 HIS 1284 HB2 -0.01 0.02 0.10 -0.04 3.26 3.34 1mx5A1 HIS 1284 HB3 -0.01 0.03 0.12 -0.04 3.20 3.30 1mx5A1 HIS 1284 HD2 -0.01 -0.03 -0.08 -0.04 6.97 6.80 1mx5A1 HIS 1284 HE1 -0.00 -0.00 -0.02 -0.04 7.75 7.68 1mx5A1 CYS 1285 H 0.01 0.43 -0.29 -0.55 8.50 8.10 1mx5A1 CYS 1285 HA -0.17 0.01 0.50 -0.75 4.58 4.17 1mx5A1 CYS 1285 HB2 -0.01 -0.04 0.15 -0.04 2.97 3.02 1mx5A1 CYS 1285 HB3 -0.03 0.17 0.18 -0.04 2.97 3.24 1mx5A1 LEU 1286 H -0.07 0.53 -0.07 -0.55 8.37 8.21 1mx5A1 LEU 1286 HA -0.09 0.02 0.43 -0.75 4.35 3.95 1mx5A1 LEU 1286 HB2 -0.19 0.08 0.08 -0.04 1.64 1.57 1mx5A1 LEU 1286 HB3 -0.03 -0.04 -0.02 -0.04 1.64 1.51 1mx5A1 LEU 1286 HG -0.18 0.08 0.00 -0.04 1.64 1.49 1mx5A1 LEU 1286 HD13 -0.84 -0.03 -0.12 -0.04 0.93 -0.09 1mx5A1 LEU 1286 HD23 -0.15 -0.01 -0.06 -0.04 0.89 0.63 1mx5A1 ARG 1287 H -0.02 0.36 -0.47 -0.55 8.46 7.77 1mx5A1 ARG 1287 HA -0.08 0.06 0.47 -0.75 4.34 4.03 1mx5A1 ARG 1287 HB2 -0.04 0.09 0.10 -0.04 1.90 2.02 1mx5A1 ARG 1287 HB3 -0.05 -0.07 -0.07 -0.04 1.80 1.57 1mx5A1 ARG 1287 HG2 -0.02 -0.04 -0.06 -0.04 1.67 1.51 1mx5A1 ARG 1287 HG3 0.19 0.12 -0.03 -0.04 1.67 1.91 1mx5A1 ARG 1287 HD2 0.08 -0.12 -0.04 -0.04 3.22 3.10 1mx5A1 ARG 1287 HD3 -0.01 -0.08 -0.01 -0.04 3.22 3.09 1mx5A1 GLN 1288 H -0.15 0.27 -0.25 -0.55 8.47 7.79 1mx5A1 GLN 1288 HA -0.09 0.00 0.48 -0.75 4.36 4.00 1mx5A1 GLN 1288 HB2 -0.14 0.15 0.15 -0.04 2.15 2.27 1mx5A1 GLN 1288 HB3 -0.10 -0.12 0.07 -0.04 2.02 1.83 1mx5A1 GLN 1288 HG2 -0.20 -0.08 0.02 -0.04 2.40 2.10 1mx5A1 GLN 1288 HG3 -0.45 0.34 0.13 -0.04 2.39 2.37 1mx5A1 GLN 1288 HE21 0.01 -0.07 -0.01 -0.04 6.97 6.86 1mx5A1 GLN 1288 HE22 -0.06 -0.01 -0.00 -0.04 7.69 7.57 1mx5A1 LYS 1289 H -0.07 0.23 -0.37 -0.55 8.42 7.65 1mx5A1 LYS 1289 HA -0.04 -0.07 0.40 -0.75 4.32 3.87 1mx5A1 LYS 1289 HB2 -0.07 0.22 0.07 -0.04 1.87 2.05 1mx5A1 LYS 1289 HB3 -0.04 -0.13 0.04 -0.04 1.79 1.61 1mx5A1 LYS 1289 HG2 -0.06 0.26 0.06 -0.04 1.46 1.67 1mx5A1 LYS 1289 HG3 -0.06 -0.03 -0.01 -0.04 1.46 1.31 1mx5A1 LYS 1289 HD2 -0.03 -0.07 0.04 -0.04 1.69 1.59 1mx5A1 LYS 1289 HD3 -0.04 -0.09 0.01 -0.04 1.68 1.52 1mx5A1 LYS 1289 HE2 -0.04 -0.05 -0.07 -0.04 2.99 2.78 1mx5A1 LYS 1289 HE3 -0.04 0.20 -0.10 -0.04 2.99 3.01 1mx5A1 THR 1290 H -0.00 0.02 0.20 -0.55 8.28 7.95 1mx5A1 THR 1290 HA 0.02 0.25 0.57 -0.75 4.39 4.47 1mx5A1 THR 1290 HB 0.02 -0.10 0.21 -0.04 4.32 4.42 1mx5A1 THR 1290 HG23 0.00 0.05 0.10 -0.04 1.22 1.34 1mx5A1 GLU 1291 H 0.07 0.18 0.20 -0.55 8.60 8.50 1mx5A1 GLU 1291 HA 0.39 0.18 0.44 -0.75 4.29 4.55 1mx5A1 GLU 1291 HB2 0.08 0.08 0.16 -0.04 2.09 2.37 1mx5A1 GLU 1291 HB3 0.05 -0.04 0.19 -0.04 1.99 2.15 1mx5A1 GLU 1291 HG2 0.05 -0.00 -0.28 -0.04 2.34 2.07 1mx5A1 GLU 1291 HG3 -0.04 0.03 -0.00 -0.04 2.34 2.28 1mx5A1 GLU 1292 H 0.07 0.12 0.00 -0.55 8.60 8.25 1mx5A1 GLU 1292 HA 0.08 0.08 0.37 -0.75 4.29 4.07 1mx5A1 GLU 1292 HB2 0.03 0.00 0.05 -0.04 2.09 2.13 1mx5A1 GLU 1292 HB3 0.04 0.06 0.04 -0.04 1.99 2.09 1mx5A1 GLU 1292 HG2 0.02 0.07 0.05 -0.04 2.34 2.44 1mx5A1 GLU 1292 HG3 0.02 0.04 0.06 -0.04 2.34 2.42 1mx5A1 GLU 1293 H 0.06 0.06 -0.55 -0.55 8.60 7.62 1mx5A1 GLU 1293 HA 0.03 0.09 0.51 -0.75 4.29 4.17 1mx5A1 GLU 1293 HB2 0.02 0.11 0.13 -0.04 2.09 2.31 1mx5A1 GLU 1293 HB3 -0.00 0.14 0.02 -0.04 1.99 2.11 1mx5A1 GLU 1293 HG2 0.01 0.06 0.05 -0.04 2.34 2.42 1mx5A1 GLU 1293 HG3 0.02 -0.13 0.03 -0.04 2.34 2.21 1mx5A1 LEU 1294 H 0.09 0.48 -0.06 -0.55 8.37 8.34 1mx5A1 LEU 1294 HA -0.08 0.10 0.47 -0.75 4.35 4.08 1mx5A1 LEU 1294 HB2 0.07 0.03 0.10 -0.04 1.64 1.80 1mx5A1 LEU 1294 HB3 -0.72 -0.09 0.06 -0.04 1.64 0.85 1mx5A1 LEU 1294 HG -0.07 0.18 -0.05 -0.04 1.64 1.65 1mx5A1 LEU 1294 HD13 -0.44 0.03 -0.05 -0.04 0.93 0.43 1mx5A1 LEU 1294 HD23 -0.18 0.01 -0.01 -0.04 0.89 0.66 1mx5A1 LEU 1295 H 0.23 0.40 -0.37 -0.55 8.37 8.08 1mx5A1 LEU 1295 HA 0.40 0.04 0.50 -0.75 4.35 4.53 1mx5A1 LEU 1295 HB2 0.27 0.00 0.02 -0.04 1.64 1.89 1mx5A1 LEU 1295 HB3 0.15 0.10 0.13 -0.04 1.64 1.97 1mx5A1 LEU 1295 HG 0.11 -0.00 -0.19 -0.04 1.64 1.52 1mx5A1 LEU 1295 HD13 0.16 -0.01 -0.11 -0.04 0.93 0.92 1mx5A1 LEU 1295 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 1mx5A1 GLU 1296 H 0.09 0.52 -0.06 -0.55 8.60 8.61 1mx5A1 GLU 1296 HA 0.06 -0.01 0.43 -0.75 4.29 4.01 1mx5A1 GLU 1296 HB2 0.04 0.15 0.20 -0.04 2.09 2.44 1mx5A1 GLU 1296 HB3 0.03 -0.02 0.06 -0.04 1.99 2.02 1mx5A1 GLU 1296 HG2 0.03 -0.07 0.07 -0.04 2.34 2.33 1mx5A1 GLU 1296 HG3 0.05 0.20 0.20 -0.04 2.34 2.75 1mx5A1 THR 1297 H 0.04 0.43 -0.31 -0.55 8.28 7.89 1mx5A1 THR 1297 HA 0.02 0.09 0.38 -0.75 4.39 4.12 1mx5A1 THR 1297 HB -0.01 0.05 0.11 -0.04 4.32 4.42 1mx5A1 THR 1297 HG23 0.02 -0.01 -0.14 -0.04 1.22 1.05 1mx5A1 THR 1298 H 0.11 0.35 -0.35 -0.55 8.28 7.84 1mx5A1 THR 1298 HA 0.31 0.00 0.39 -0.75 4.39 4.33 1mx5A1 THR 1298 HB 0.23 0.16 0.21 -0.04 4.32 4.87 1mx5A1 THR 1298 HG23 0.33 -0.04 -0.04 -0.04 1.22 1.43 1mx5A1 LEU 1299 H 0.10 0.57 -0.12 -0.55 8.37 8.37 1mx5A1 LEU 1299 HA 0.07 -0.02 0.44 -0.75 4.35 4.08 1mx5A1 LEU 1299 HB2 0.05 0.12 0.15 -0.04 1.64 1.92 1mx5A1 LEU 1299 HB3 0.03 -0.04 0.06 -0.04 1.64 1.65 1mx5A1 LEU 1299 HG 0.09 0.24 0.05 -0.04 1.64 1.98 1mx5A1 LEU 1299 HD13 0.04 -0.03 0.01 -0.04 0.93 0.91 1mx5A1 LEU 1299 HD23 0.08 -0.04 0.01 -0.04 0.89 0.89 1mx5A1 LYS 1300 H 0.01 0.46 -0.25 -0.55 8.42 8.08 1mx5A1 LYS 1300 HA -0.03 0.00 0.50 -0.75 4.32 4.04 1mx5A1 LYS 1300 HB2 -0.02 0.14 0.17 -0.04 1.87 2.12 1mx5A1 LYS 1300 HB3 -0.03 -0.06 0.04 -0.04 1.79 1.70 1mx5A1 LYS 1300 HG2 -0.01 -0.09 0.05 -0.04 1.46 1.37 1mx5A1 LYS 1300 HG3 0.00 0.19 0.08 -0.04 1.46 1.69 1mx5A1 LYS 1300 HD2 -0.00 0.06 -0.01 -0.04 1.69 1.70 1mx5A1 LYS 1300 HD3 -0.01 -0.04 0.03 -0.04 1.68 1.62 1mx5A1 LYS 1300 HE2 -0.00 -0.07 0.00 -0.04 2.99 2.88 1mx5A1 LYS 1300 HE3 0.01 -0.04 -0.05 -0.04 2.99 2.86 1mx5A1 MET 1301 H -0.10 0.42 -0.20 -0.55 8.47 8.04 1mx5A1 MET 1301 HA -0.27 0.02 0.40 -0.75 4.52 3.92 1mx5A1 MET 1301 HB2 -1.01 0.03 0.06 -0.04 2.15 1.19 1mx5A1 MET 1301 HB3 -1.22 -0.04 0.06 -0.04 2.03 0.80 1mx5A1 MET 1301 HG2 -0.06 0.46 0.13 -0.04 2.63 3.11 1mx5A1 MET 1301 HG3 0.11 -0.14 -0.02 -0.04 2.56 2.47 1mx5A1 MET 1301 HE3 0.04 -0.02 -0.06 -0.04 2.10 2.02 1mx5A1 LYS 1302 H -0.13 0.23 -0.58 -0.55 8.42 7.39 1mx5A1 LYS 1302 HA -0.04 -0.02 0.31 -0.75 4.32 3.82 1mx5A1 LYS 1302 HB2 -0.11 0.11 -0.15 -0.04 1.87 1.67 1mx5A1 LYS 1302 HB3 -0.05 -0.05 0.16 -0.04 1.79 1.81 1mx5A1 LYS 1302 HG2 -0.03 -0.05 0.05 -0.04 1.46 1.39 1mx5A1 LYS 1302 HG3 -0.06 0.19 -0.09 -0.04 1.46 1.45 1mx5A1 LYS 1302 HD2 -0.05 0.01 -0.02 -0.04 1.69 1.58 1mx5A1 LYS 1302 HD3 -0.03 -0.05 -0.00 -0.04 1.68 1.56 1mx5A1 LYS 1302 HE2 -0.03 0.05 0.03 -0.04 2.99 3.00 1mx5A1 LYS 1302 HE3 -0.03 -0.09 0.02 -0.04 2.99 2.86 1mx5A1 PHE 1303 H 0.03 0.02 -0.12 -0.55 8.34 7.71 1mx5A1 PHE 1303 HA 0.02 0.25 0.50 -0.75 4.62 4.63 1mx5A1 PHE 1303 HB2 0.05 -0.13 0.06 -0.04 3.15 3.08 1mx5A1 PHE 1303 HB3 0.04 0.07 0.16 -0.04 3.06 3.29 1mx5A1 PHE 1303 HD2 0.04 0.09 -0.19 -0.04 7.28 7.18 1mx5A1 PHE 1303 HE2 0.04 -0.02 -0.08 -0.04 7.38 7.27 1mx5A1 PHE 1303 HZ 0.05 -0.03 -0.07 -0.04 7.32 7.23 1mx5A1 LEU 1304 H 0.20 0.71 0.34 -0.55 8.37 9.07 1mx5A1 LEU 1304 HA 0.09 -0.04 0.32 -0.75 4.35 3.95 1mx5A1 LEU 1304 HB2 0.09 0.21 -0.08 -0.04 1.64 1.82 1mx5A1 LEU 1304 HB3 0.05 -0.09 0.14 -0.04 1.64 1.71 1mx5A1 LEU 1304 HG 0.11 0.02 -0.14 -0.04 1.64 1.58 1mx5A1 LEU 1304 HD13 0.06 -0.03 -0.09 -0.04 0.93 0.82 1mx5A1 LEU 1304 HD23 0.05 -0.01 -0.00 -0.04 0.89 0.88 1mx5A1 SER 1305 H 0.07 0.27 -0.40 -0.55 8.46 7.86 1mx5A1 SER 1305 HA 0.05 0.12 0.94 -0.75 4.49 4.83 1mx5A1 SER 1305 HB2 0.03 -0.01 -0.21 -0.04 3.95 3.71 1mx5A1 SER 1305 HB3 0.01 0.22 -0.01 -0.04 3.93 4.11 1mx5A1 LEU 1306 H 0.06 0.44 0.15 -0.55 8.37 8.47 1mx5A1 LEU 1306 HA 0.02 -0.04 0.34 -0.75 4.35 3.91 1mx5A1 LEU 1306 HB2 0.06 -0.08 -0.01 -0.04 1.64 1.56 1mx5A1 LEU 1306 HB3 -0.08 0.13 0.06 -0.04 1.64 1.71 1mx5A1 LEU 1306 HG -0.15 0.03 -0.45 -0.04 1.64 1.03 1mx5A1 LEU 1306 HD13 -0.02 -0.01 -0.14 -0.04 0.93 0.72 1mx5A1 LEU 1306 HD23 -0.86 -0.03 -0.09 -0.04 0.89 -0.13 1mx5A1 ASP 1307 H -0.03 0.13 0.19 -0.55 8.40 8.14 1mx5A1 ASP 1307 HA -0.04 0.04 0.62 -0.75 4.63 4.50 1mx5A1 ASP 1307 HB2 -0.04 0.14 0.10 -0.04 2.71 2.87 1mx5A1 ASP 1307 HB3 -0.05 -0.03 0.14 -0.04 2.70 2.72 1mx5A1 LEU 1308 H -0.04 0.15 0.20 -0.55 8.37 8.13 1mx5A1 LEU 1308 HA -0.06 0.16 0.72 -0.75 4.35 4.42 1mx5A1 LEU 1308 HB2 -0.03 -0.02 0.11 -0.04 1.64 1.65 1mx5A1 LEU 1308 HB3 -0.03 -0.07 0.04 -0.04 1.64 1.54 1mx5A1 LEU 1308 HG -0.08 0.21 -0.05 -0.04 1.64 1.69 1mx5A1 LEU 1308 HD13 -0.05 -0.02 0.04 -0.04 0.93 0.86 1mx5A1 LEU 1308 HD23 -0.11 -0.00 -0.09 -0.04 0.89 0.65 1mx5A1 GLN 1309 H -0.03 0.08 0.06 -0.55 8.47 8.03 1mx5A1 GLN 1309 HA -0.01 0.06 0.72 -0.75 4.36 4.37 1mx5A1 GLN 1309 HB2 -0.02 -0.03 0.10 -0.04 2.15 2.17 1mx5A1 GLN 1309 HB3 -0.02 0.04 0.21 -0.04 2.02 2.21 1mx5A1 GLN 1309 HG2 -0.01 -0.01 0.02 -0.04 2.40 2.36 1mx5A1 GLN 1309 HG3 -0.01 -0.02 0.02 -0.04 2.39 2.34 1mx5A1 GLN 1309 HE21 -0.01 0.00 -0.04 -0.04 6.97 6.88 1mx5A1 GLN 1309 HE22 -0.01 -0.03 -0.03 -0.04 7.69 7.59 1mx5A1 GLY 1310 H -0.02 0.20 0.06 -0.55 8.43 8.13 1mx5A1 GLY 1310 HA2 -0.02 -0.07 0.29 -0.51 4.01 3.70 1mx5A1 GLY 1310 HA3 -0.03 0.25 0.72 -0.51 4.01 4.43 1mx5A1 ASP 1311 H -0.03 0.08 0.10 -0.55 8.40 8.01 1mx5A1 ASP 1311 HA -0.04 0.10 0.45 -0.75 4.63 4.38 1mx5A1 ASP 1311 HB2 -0.00 0.02 0.14 -0.04 2.71 2.83 1mx5A1 ASP 1311 HB3 -0.04 -0.00 0.14 -0.04 2.70 2.76 1mx5A1 PRO 1312 HA -0.24 0.22 0.51 -0.51 4.44 4.42 1mx5A1 PRO 1312 HB2 -1.50 -0.08 0.09 -0.04 2.28 0.76 1mx5A1 PRO 1312 HB3 -0.62 0.17 0.20 -0.04 2.02 1.74 1mx5A1 PRO 1312 HG2 -1.46 -0.05 -0.04 -0.04 2.03 0.43 1mx5A1 PRO 1312 HG3 -0.40 0.16 0.13 -0.04 2.03 1.89 1mx5A1 PRO 1312 HD2 -0.34 -0.01 0.24 -0.04 3.68 3.53 1mx5A1 PRO 1312 HD3 -0.13 0.16 0.28 -0.04 3.65 3.92 1mx5A1 ARG 1313 H -0.45 0.03 -0.14 -0.55 8.46 7.36 1mx5A1 ARG 1313 HA -0.25 0.15 0.39 -0.75 4.34 3.88 1mx5A1 ARG 1313 HB2 -0.19 -0.07 0.02 -0.04 1.90 1.61 1mx5A1 ARG 1313 HB3 -0.20 0.05 0.02 -0.04 1.80 1.63 1mx5A1 ARG 1313 HG2 -1.47 0.06 -0.01 -0.04 1.67 0.21 1mx5A1 ARG 1313 HG3 -0.84 -0.05 0.04 -0.04 1.67 0.78 1mx5A1 ARG 1313 HD2 -0.10 0.04 0.00 -0.04 3.22 3.12 1mx5A1 ARG 1313 HD3 0.10 -0.07 0.02 -0.04 3.22 3.23 1mx5A1 GLU 1314 H -0.10 0.15 -0.42 -0.55 8.60 7.67 1mx5A1 GLU 1314 HA -0.02 0.15 0.69 -0.75 4.29 4.36 1mx5A1 GLU 1314 HB2 -0.04 0.04 0.03 -0.04 2.09 2.08 1mx5A1 GLU 1314 HB3 -0.02 0.00 -0.00 -0.04 1.99 1.93 1mx5A1 GLU 1314 HG2 -0.02 0.03 -0.04 -0.04 2.34 2.28 1mx5A1 GLU 1314 HG3 -0.04 -0.10 -0.14 -0.04 2.34 2.03 1mx5A1 SER 1315 H -0.06 0.16 -0.20 -0.55 8.46 7.82 1mx5A1 SER 1315 HA -0.03 -0.04 0.34 -0.75 4.49 4.01 1mx5A1 SER 1315 HB2 -0.04 0.12 0.15 -0.04 3.95 4.15 1mx5A1 SER 1315 HB3 -0.03 -0.04 0.00 -0.04 3.93 3.82 1mx5A1 GLN 1316 H -0.00 0.15 0.13 -0.55 8.47 8.20 1mx5A1 GLN 1316 HA 0.05 0.24 0.92 -0.75 4.36 4.81 1mx5A1 GLN 1316 HB2 0.05 0.05 0.07 -0.04 2.15 2.28 1mx5A1 GLN 1316 HB3 0.13 -0.02 0.16 -0.04 2.02 2.25 1mx5A1 GLN 1316 HG2 0.17 -0.10 -0.02 -0.04 2.40 2.40 1mx5A1 GLN 1316 HG3 0.18 0.05 -0.07 -0.04 2.39 2.50 1mx5A1 GLN 1316 HE21 0.02 -0.01 -0.06 -0.04 6.97 6.88 1mx5A1 GLN 1316 HE22 0.03 0.06 -0.24 -0.04 7.69 7.50 1mx5A1 PRO 1317 HA 0.12 0.02 0.43 -0.51 4.44 4.50 1mx5A1 PRO 1317 HB2 0.03 -0.06 -0.05 -0.04 2.28 2.16 1mx5A1 PRO 1317 HB3 0.03 -0.02 -0.02 -0.04 2.02 1.97 1mx5A1 PRO 1317 HG2 0.00 0.02 0.10 -0.04 2.03 2.12 1mx5A1 PRO 1317 HG3 -0.03 0.20 0.05 -0.04 2.03 2.21 1mx5A1 PRO 1317 HD2 0.03 0.15 0.27 -0.04 3.68 4.08 1mx5A1 PRO 1317 HD3 0.01 0.22 0.07 -0.04 3.65 3.91 1mx5A1 LEU 1318 H 0.08 0.33 -0.07 -0.55 8.37 8.17 1mx5A1 LEU 1318 HA -0.22 0.03 0.38 -0.75 4.35 3.79 1mx5A1 LEU 1318 HB2 -0.17 0.04 0.07 -0.04 1.64 1.54 1mx5A1 LEU 1318 HB3 -0.03 0.06 0.03 -0.04 1.64 1.66 1mx5A1 LEU 1318 HG -0.03 -0.11 -0.32 -0.04 1.64 1.14 1mx5A1 LEU 1318 HD13 -0.13 0.08 -0.39 -0.04 0.93 0.44 1mx5A1 LEU 1318 HD23 -0.05 0.08 -0.07 -0.04 0.89 0.80 1mx5A1 LEU 1319 H -0.35 0.15 0.11 -0.55 8.37 7.74 1mx5A1 LEU 1319 HA -0.07 0.14 0.72 -0.75 4.35 4.38 1mx5A1 LEU 1319 HB2 -0.03 -0.06 -0.02 -0.04 1.64 1.50 1mx5A1 LEU 1319 HB3 0.04 0.08 -0.14 -0.04 1.64 1.58 1mx5A1 LEU 1319 HG -0.68 -0.05 -0.09 -0.04 1.64 0.78 1mx5A1 LEU 1319 HD13 0.03 -0.04 -0.21 -0.04 0.93 0.66 1mx5A1 LEU 1319 HD23 0.09 0.04 -0.15 -0.04 0.89 0.83 1mx5A1 GLY 1320 H -0.10 0.16 0.02 -0.55 8.43 7.96 1mx5A1 GLY 1320 HA2 -0.68 0.15 0.92 -0.51 4.01 3.89 1mx5A1 GLY 1320 HA3 -0.25 0.20 0.29 -0.51 4.01 3.74 1mx5A1 THR 1321 H -0.16 0.44 0.27 -0.55 8.28 8.29 1mx5A1 THR 1321 HA 0.21 -0.07 0.52 -0.75 4.39 4.28 1mx5A1 THR 1321 HB -0.06 0.02 0.13 -0.04 4.32 4.36 1mx5A1 THR 1321 HG23 -0.17 0.01 -0.04 -0.04 1.22 0.98 1mx5A1 VAL 1322 H 0.00 0.07 0.27 -0.55 8.24 8.03 1mx5A1 VAL 1322 HA -0.07 0.30 0.95 -0.75 4.13 4.55 1mx5A1 VAL 1322 HB -0.09 -0.02 0.08 -0.04 2.12 2.06 1mx5A1 VAL 1322 HG13 -0.07 0.07 -0.04 -0.04 0.97 0.89 1mx5A1 VAL 1322 HG23 -0.12 0.00 -0.10 -0.04 0.95 0.69 1mx5A1 ILE 1323 H -0.08 0.28 0.07 -0.55 8.25 7.97 1mx5A1 ILE 1323 HA -0.08 0.11 0.65 -0.75 4.18 4.10 1mx5A1 ILE 1323 HB -0.06 0.01 0.18 -0.04 1.89 1.97 1mx5A1 ILE 1323 HG12 -0.07 0.11 0.00 -0.04 1.49 1.49 1mx5A1 ILE 1323 HG13 -0.06 -0.09 -0.09 -0.04 1.21 0.92 1mx5A1 ILE 1323 HG23 -0.07 0.01 -0.31 -0.04 0.93 0.52 1mx5A1 ILE 1323 HD13 -0.08 0.04 -0.41 -0.04 0.88 0.39 1mx5A1 ASP 1324 H -0.10 0.17 -0.03 -0.55 8.40 7.90 1mx5A1 ASP 1324 HA -0.09 0.20 0.44 -0.75 4.63 4.42 1mx5A1 ASP 1324 HB2 -0.14 0.01 -0.06 -0.04 2.71 2.48 1mx5A1 ASP 1324 HB3 -0.18 0.09 -0.23 -0.04 2.70 2.35 1mx5A1 GLY 1325 H -0.07 0.55 -0.14 -0.55 8.43 8.23 1mx5A1 GLY 1325 HA2 -0.05 0.06 0.23 -0.51 4.01 3.74 1mx5A1 GLY 1325 HA3 -0.04 0.12 0.51 -0.51 4.01 4.09 1mx5A1 MET 1326 H -0.06 -0.19 -0.41 -0.55 8.47 7.26 1mx5A1 MET 1326 HA -0.02 0.26 0.77 -0.75 4.52 4.77 1mx5A1 MET 1326 HB2 -0.04 -0.15 -0.02 -0.04 2.15 1.90 1mx5A1 MET 1326 HB3 0.01 0.06 -0.08 -0.04 2.03 1.97 1mx5A1 MET 1326 HG2 -0.01 0.05 -0.32 -0.04 2.63 2.31 1mx5A1 MET 1326 HG3 0.03 -0.00 -0.08 -0.04 2.56 2.46 1mx5A1 MET 1326 HE3 0.04 -0.00 -0.02 -0.04 2.10 2.07 1mx5A1 LEU 1327 H -0.06 0.00 0.03 -0.55 8.37 7.79 1mx5A1 LEU 1327 HA -0.03 0.12 0.51 -0.75 4.35 4.20 1mx5A1 LEU 1327 HB2 -0.04 0.05 0.05 -0.04 1.64 1.65 1mx5A1 LEU 1327 HB3 -0.09 -0.12 0.13 -0.04 1.64 1.52 1mx5A1 LEU 1327 HG -0.10 0.06 -0.20 -0.04 1.64 1.36 1mx5A1 LEU 1327 HD13 -0.02 0.01 -0.11 -0.04 0.93 0.77 1mx5A1 LEU 1327 HD23 -0.22 -0.00 -0.07 -0.04 0.89 0.56 1mx5A1 LEU 1328 H -0.09 -0.05 0.05 -0.55 8.37 7.74 1mx5A1 LEU 1328 HA -0.11 0.32 0.88 -0.75 4.35 4.69 1mx5A1 LEU 1328 HB2 -0.10 -0.10 0.22 -0.04 1.64 1.61 1mx5A1 LEU 1328 HB3 -0.10 0.18 -0.00 -0.04 1.64 1.67 1mx5A1 LEU 1328 HG -0.16 -0.09 -0.16 -0.04 1.64 1.18 1mx5A1 LEU 1328 HD13 -0.14 0.02 -0.08 -0.04 0.93 0.69 1mx5A1 LEU 1328 HD23 -0.12 0.08 -0.10 -0.04 0.89 0.71 1mx5A1 LEU 1329 H -0.10 0.32 0.04 -0.55 8.37 8.08 1mx5A1 LEU 1329 HA -0.06 0.01 0.43 -0.75 4.35 3.97 1mx5A1 LEU 1329 HB2 -0.09 0.04 0.02 -0.04 1.64 1.58 1mx5A1 LEU 1329 HB3 -0.06 0.00 0.03 -0.04 1.64 1.57 1mx5A1 LEU 1329 HG -0.09 0.06 -0.12 -0.04 1.64 1.45 1mx5A1 LEU 1329 HD13 -0.06 0.01 -0.02 -0.04 0.93 0.81 1mx5A1 LEU 1329 HD23 -0.04 -0.04 -0.33 -0.04 0.89 0.43 1mx5A1 LYS 1330 H -0.08 0.23 -0.10 -0.55 8.42 7.92 1mx5A1 LYS 1330 HA -0.06 0.12 0.40 -0.75 4.32 4.03 1mx5A1 LYS 1330 HB2 -0.05 -0.14 0.12 -0.04 1.87 1.76 1mx5A1 LYS 1330 HB3 -0.05 0.15 0.01 -0.04 1.79 1.86 1mx5A1 LYS 1330 HG2 -0.07 -0.09 -0.29 -0.04 1.46 0.97 1mx5A1 LYS 1330 HG3 -0.06 0.05 -0.21 -0.04 1.46 1.20 1mx5A1 LYS 1330 HD2 -0.05 0.07 -0.16 -0.04 1.69 1.51 1mx5A1 LYS 1330 HD3 -0.04 -0.04 -0.11 -0.04 1.68 1.44 1mx5A1 LYS 1330 HE2 -0.04 0.01 -0.07 -0.04 2.99 2.85 1mx5A1 LYS 1330 HE3 -0.05 0.01 -0.14 -0.04 2.99 2.77 1mx5A1 THR 1331 H -0.05 0.11 0.10 -0.55 8.28 7.89 1mx5A1 THR 1331 HA -0.07 0.19 0.37 -0.75 4.39 4.12 1mx5A1 THR 1331 HB -0.06 0.02 0.07 -0.04 4.32 4.31 1mx5A1 THR 1331 HG23 -0.06 0.03 0.05 -0.04 1.22 1.20 1mx5A1 PRO 1332 HA -0.05 0.14 0.39 -0.51 4.44 4.41 1mx5A1 PRO 1332 HB2 -0.06 0.01 -0.09 -0.04 2.28 2.10 1mx5A1 PRO 1332 HB3 -0.05 0.03 -0.05 -0.04 2.02 1.90 1mx5A1 PRO 1332 HG2 -0.08 0.21 0.01 -0.04 2.03 2.13 1mx5A1 PRO 1332 HG3 -0.09 0.08 0.02 -0.04 2.03 2.01 1mx5A1 PRO 1332 HD2 -0.07 0.10 0.14 -0.04 3.68 3.81 1mx5A1 PRO 1332 HD3 -0.08 0.15 0.15 -0.04 3.65 3.83 1mx5A1 GLU 1333 H -0.05 0.12 -0.21 -0.55 8.60 7.91 1mx5A1 GLU 1333 HA -0.02 0.11 0.29 -0.75 4.29 3.91 1mx5A1 GLU 1333 HB2 -0.04 -0.07 -0.02 -0.04 2.09 1.92 1mx5A1 GLU 1333 HB3 -0.03 0.07 -0.04 -0.04 1.99 1.95 1mx5A1 GLU 1333 HG2 -0.06 0.05 -0.01 -0.04 2.34 2.28 1mx5A1 GLU 1333 HG3 -0.05 0.03 -0.01 -0.04 2.34 2.26 1mx5A1 GLU 1334 H -0.04 0.03 -0.41 -0.55 8.60 7.64 1mx5A1 GLU 1334 HA -0.02 0.11 0.47 -0.75 4.29 4.10 1mx5A1 GLU 1334 HB2 -0.04 0.06 0.04 -0.04 2.09 2.11 1mx5A1 GLU 1334 HB3 -0.03 0.03 -0.04 -0.04 1.99 1.91 1mx5A1 GLU 1334 HG2 -0.02 0.06 -0.03 -0.04 2.34 2.30 1mx5A1 GLU 1334 HG3 -0.03 -0.10 -0.03 -0.04 2.34 2.13 1mx5A1 LEU 1335 H -0.05 0.58 -0.08 -0.55 8.37 8.28 1mx5A1 LEU 1335 HA -0.06 -0.00 0.36 -0.75 4.35 3.89 1mx5A1 LEU 1335 HB2 -0.06 -0.04 0.11 -0.04 1.64 1.62 1mx5A1 LEU 1335 HB3 -0.08 0.10 -0.03 -0.04 1.64 1.59 1mx5A1 LEU 1335 HG -0.08 -0.01 -0.24 -0.04 1.64 1.27 1mx5A1 LEU 1335 HD13 -0.10 -0.03 -0.04 -0.04 0.93 0.71 1mx5A1 LEU 1335 HD23 -0.13 -0.02 0.00 -0.04 0.89 0.70 1mx5A1 GLN 1336 H -0.01 0.60 -0.12 -0.55 8.47 8.40 1mx5A1 GLN 1336 HA 0.04 0.14 0.38 -0.75 4.36 4.17 1mx5A1 GLN 1336 HB2 0.06 -0.01 0.04 -0.04 2.15 2.21 1mx5A1 GLN 1336 HB3 0.04 -0.07 0.03 -0.04 2.02 1.98 1mx5A1 GLN 1336 HG2 0.00 0.22 0.04 -0.04 2.40 2.62 1mx5A1 GLN 1336 HG3 0.02 0.05 -0.25 -0.04 2.39 2.16 1mx5A1 GLN 1336 HE21 0.01 -0.14 -0.12 -0.04 6.97 6.69 1mx5A1 GLN 1336 HE22 0.01 0.04 -0.15 -0.04 7.69 7.56 1mx5A1 ALA 1337 H -0.00 0.17 -0.87 -0.55 8.40 7.16 1mx5A1 ALA 1337 HA 0.02 0.04 0.53 -0.75 4.34 4.17 1mx5A1 ALA 1337 HB3 -0.00 0.04 0.09 -0.04 1.41 1.50 1mx5A1 GLU 1338 H 0.00 0.30 -0.15 -0.55 8.60 8.21 1mx5A1 GLU 1338 HA 0.01 -0.02 0.46 -0.75 4.29 3.99 1mx5A1 GLU 1338 HB2 0.01 -0.17 0.10 -0.04 2.09 2.00 1mx5A1 GLU 1338 HB3 -0.01 -0.01 0.11 -0.04 1.99 2.03 1mx5A1 GLU 1338 HG2 -0.03 0.16 0.11 -0.04 2.34 2.53 1mx5A1 GLU 1338 HG3 0.03 0.08 -0.21 -0.04 2.34 2.20 1mx5A1 ARG 1339 H 0.03 0.01 0.13 -0.55 8.46 8.07 1mx5A1 ARG 1339 HA 0.04 0.30 0.79 -0.75 4.34 4.71 1mx5A1 ARG 1339 HB2 0.02 -0.10 0.03 -0.04 1.90 1.81 1mx5A1 ARG 1339 HB3 0.02 -0.02 0.22 -0.04 1.80 1.97 1mx5A1 ARG 1339 HG2 0.01 -0.03 0.05 -0.04 1.67 1.66 1mx5A1 ARG 1339 HG3 0.01 0.06 0.15 -0.04 1.67 1.86 1mx5A1 ARG 1339 HD2 0.02 0.38 -0.88 -0.04 3.22 2.70 1mx5A1 ARG 1339 HD3 0.02 -0.10 -0.19 -0.04 3.22 2.91 1mx5A1 ASN 1340 H 0.07 0.07 -0.03 -0.55 8.53 8.09 1mx5A1 ASN 1340 HA 0.05 0.28 0.93 -0.75 4.76 5.26 1mx5A1 ASN 1340 HB2 0.05 -0.03 0.15 -0.04 2.88 3.02 1mx5A1 ASN 1340 HB3 0.05 0.01 0.19 -0.04 2.79 2.99 1mx5A1 ASN 1340 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.96 1mx5A1 ASN 1340 HD22 0.02 0.00 0.02 -0.04 7.74 7.74 1mx5A1 PHE 1341 H 0.15 0.32 -0.25 -0.55 8.34 8.01 1mx5A1 PHE 1341 HA 0.02 0.13 0.82 -0.75 4.62 4.83 1mx5A1 PHE 1341 HB2 0.01 -0.09 -0.22 -0.04 3.15 2.81 1mx5A1 PHE 1341 HB3 0.02 0.11 -0.14 -0.04 3.06 3.01 1mx5A1 PHE 1341 HD2 0.02 0.08 -0.00 -0.04 7.28 7.34 1mx5A1 PHE 1341 HE2 0.02 0.07 -0.09 -0.04 7.38 7.34 1mx5A1 PHE 1341 HZ 0.03 -0.02 -0.15 -0.04 7.32 7.14 1mx5A1 HIS 1342 H -1.28 0.07 0.09 -0.55 8.41 6.76 1mx5A1 HIS 1342 HA -0.29 -0.00 0.42 -0.75 4.63 4.00 1mx5A1 HIS 1342 HB2 -0.61 -0.06 0.14 -0.04 3.26 2.69 1mx5A1 HIS 1342 HB3 -0.95 0.01 0.13 -0.04 3.20 2.35 1mx5A1 HIS 1342 HD2 -0.19 0.05 0.08 -0.04 6.97 6.87 1mx5A1 HIS 1342 HE1 -0.19 0.00 0.08 -0.04 7.75 7.59 1mx5A1 THR 1343 H 0.09 0.09 0.24 -0.55 8.28 8.14 1mx5A1 THR 1343 HA -0.01 0.20 0.90 -0.75 4.39 4.73 1mx5A1 THR 1343 HB -0.06 -0.01 0.01 -0.04 4.32 4.22 1mx5A1 THR 1343 HG23 -0.01 0.07 -0.07 -0.04 1.22 1.17 1mx5A1 VAL 1344 H 0.15 0.24 0.15 -0.55 8.24 8.24 1mx5A1 VAL 1344 HA -0.00 0.19 0.74 -0.75 4.13 4.30 1mx5A1 VAL 1344 HB -0.07 0.29 -0.24 -0.04 2.12 2.06 1mx5A1 VAL 1344 HG13 -0.50 -0.01 -0.33 -0.04 0.97 0.09 1mx5A1 VAL 1344 HG23 0.02 -0.03 -0.31 -0.04 0.95 0.59 1mx5A1 PRO 1345 HA 0.30 0.22 0.57 -0.51 4.44 5.02 1mx5A1 PRO 1345 HB2 -0.33 -0.08 0.21 -0.04 2.28 2.03 1mx5A1 PRO 1345 HB3 0.11 0.15 0.17 -0.04 2.02 2.40 1mx5A1 PRO 1345 HG2 -0.13 0.06 0.21 -0.04 2.03 2.14 1mx5A1 PRO 1345 HG3 0.04 -0.00 0.21 -0.04 2.03 2.23 1mx5A1 PRO 1345 HD2 -0.05 0.47 0.46 -0.04 3.68 4.52 1mx5A1 PRO 1345 HD3 0.01 0.09 0.30 -0.04 3.65 4.01 1mx5A1 TYR 1346 H 0.38 0.65 0.42 -0.55 8.29 9.18 1mx5A1 TYR 1346 HA 0.10 0.22 1.09 -0.75 4.56 5.21 1mx5A1 TYR 1346 HB2 -0.61 0.16 -0.04 -0.04 3.06 2.53 1mx5A1 TYR 1346 HB3 -0.78 -0.03 0.17 -0.04 2.98 2.29 1mx5A1 TYR 1346 HD2 -0.33 0.13 -0.05 -0.04 7.15 6.86 1mx5A1 TYR 1346 HE2 -0.07 -0.08 -0.16 -0.04 6.85 6.50 1mx5A1 MET 1347 H 0.25 0.72 0.37 -0.55 8.47 9.26 1mx5A1 MET 1347 HA -0.22 0.18 1.07 -0.75 4.52 4.81 1mx5A1 MET 1347 HB2 -1.25 0.05 -0.07 -0.04 2.15 0.84 1mx5A1 MET 1347 HB3 -0.46 -0.02 0.17 -0.04 2.03 1.67 1mx5A1 MET 1347 HG2 -0.12 -0.05 -0.41 -0.04 2.63 2.02 1mx5A1 MET 1347 HG3 -0.39 -0.02 -0.21 -0.04 2.56 1.90 1mx5A1 MET 1347 HE3 -1.53 0.02 -0.20 -0.04 2.10 0.35 1mx5A1 VAL 1348 H -0.26 0.85 0.43 -0.55 8.24 8.72 1mx5A1 VAL 1348 HA -0.26 0.19 1.16 -0.75 4.13 4.46 1mx5A1 VAL 1348 HB -0.38 0.02 0.15 -0.04 2.12 1.86 1mx5A1 VAL 1348 HG13 -0.23 -0.01 -0.05 -0.04 0.97 0.64 1mx5A1 VAL 1348 HG23 -0.88 0.01 -0.19 -0.04 0.95 -0.15 1mx5A1 GLY 1349 H -0.25 0.58 0.41 -0.55 8.43 8.62 1mx5A1 GLY 1349 HA2 -0.68 0.18 1.04 -0.51 4.01 4.04 1mx5A1 GLY 1349 HA3 -2.29 -0.01 0.36 -0.51 4.01 1.56 1mx5A1 ILE 1350 H -0.29 0.62 0.43 -0.55 8.25 8.45 1mx5A1 ILE 1350 HA 0.03 -0.02 0.84 -0.75 4.18 4.28 1mx5A1 ILE 1350 HB 0.05 -0.05 0.15 -0.04 1.89 2.00 1mx5A1 ILE 1350 HG12 -0.06 0.07 0.04 -0.04 1.49 1.50 1mx5A1 ILE 1350 HG13 0.06 0.01 -0.30 -0.04 1.21 0.93 1mx5A1 ILE 1350 HG23 -0.01 0.00 -0.28 -0.04 0.93 0.60 1mx5A1 ILE 1350 HD13 0.02 0.01 -0.06 -0.04 0.88 0.81 1mx5A1 ASN 1351 H 0.09 0.08 0.20 -0.55 8.53 8.36 1mx5A1 ASN 1351 HA 0.31 0.20 0.95 -0.75 4.76 5.46 1mx5A1 ASN 1351 HB2 0.13 -0.13 -0.08 -0.04 2.88 2.76 1mx5A1 ASN 1351 HB3 0.22 0.29 -0.08 -0.04 2.79 3.18 1mx5A1 ASN 1351 HD21 0.04 -0.26 0.05 -0.04 7.03 6.81 1mx5A1 ASN 1351 HD22 0.12 0.46 0.05 -0.04 7.74 8.34 1mx5A1 LYS 1352 H 0.18 0.52 0.41 -0.55 8.42 8.97 1mx5A1 LYS 1352 HA 0.11 0.02 0.38 -0.75 4.32 4.07 1mx5A1 LYS 1352 HB2 0.09 -0.02 0.15 -0.04 1.87 2.04 1mx5A1 LYS 1352 HB3 0.09 0.27 0.33 -0.04 1.79 2.44 1mx5A1 LYS 1352 HG2 0.06 -0.01 0.01 -0.04 1.46 1.47 1mx5A1 LYS 1352 HG3 0.08 -0.02 -0.09 -0.04 1.46 1.39 1mx5A1 LYS 1352 HD2 0.09 -0.02 0.04 -0.04 1.69 1.76 1mx5A1 LYS 1352 HD3 0.07 0.00 -0.04 -0.04 1.68 1.68 1mx5A1 LYS 1352 HE2 0.07 -0.02 0.01 -0.04 2.99 3.01 1mx5A1 LYS 1352 HE3 0.07 -0.00 -0.01 -0.04 2.99 3.01 1mx5A1 GLN 1353 H 0.13 0.61 -0.08 -0.55 8.47 8.58 1mx5A1 GLN 1353 HA 0.12 0.22 0.88 -0.75 4.36 4.83 1mx5A1 GLN 1353 HB2 0.12 -0.05 -0.13 -0.04 2.15 2.05 1mx5A1 GLN 1353 HB3 0.13 -0.11 0.08 -0.04 2.02 2.07 1mx5A1 GLN 1353 HG2 0.11 0.06 -0.07 -0.04 2.40 2.46 1mx5A1 GLN 1353 HG3 0.09 0.03 -0.37 -0.04 2.39 2.10 1mx5A1 GLN 1353 HE21 0.04 0.12 0.13 -0.04 6.97 7.22 1mx5A1 GLN 1353 HE22 0.06 0.07 0.03 -0.04 7.69 7.81 1mx5A1 GLU 1354 H 0.10 0.39 -0.13 -0.55 8.60 8.41 1mx5A1 GLU 1354 HA 0.05 -0.05 0.34 -0.75 4.29 3.88 1mx5A1 GLU 1354 HB2 0.08 0.04 0.11 -0.04 2.09 2.28 1mx5A1 GLU 1354 HB3 -0.58 0.03 0.13 -0.04 1.99 1.52 1mx5A1 GLU 1354 HG2 0.04 0.30 0.09 -0.04 2.34 2.73 1mx5A1 GLU 1354 HG3 0.00 0.05 0.10 -0.04 2.34 2.46 1mx5A1 PHE 1355 H 0.20 0.13 -0.53 -0.55 8.34 7.59 1mx5A1 PHE 1355 HA -0.03 0.13 0.87 -0.75 4.62 4.84 1mx5A1 PHE 1355 HB2 0.01 -0.06 -0.14 -0.04 3.15 2.91 1mx5A1 PHE 1355 HB3 -0.03 0.21 0.10 -0.04 3.06 3.30 1mx5A1 PHE 1355 HD2 -0.08 -0.00 -0.00 -0.04 7.28 7.16 1mx5A1 PHE 1355 HE2 -0.37 0.04 -0.10 -0.04 7.38 6.91 1mx5A1 PHE 1355 HZ -1.20 0.07 -0.11 -0.04 7.32 6.03 1mx5A1 GLY 1356 H 0.12 0.53 -0.12 -0.55 8.43 8.41 1mx5A1 GLY 1356 HA2 0.13 0.11 0.38 -0.51 4.01 4.12 1mx5A1 GLY 1356 HA3 0.15 0.01 0.29 -0.51 4.01 3.94 1mx5A1 TRP 1357 H 0.12 -0.11 -0.08 -0.55 7.97 7.35 1mx5A1 TRP 1357 HA -0.08 0.26 0.67 -0.75 4.62 4.72 1mx5A1 TRP 1357 HB2 0.01 0.12 -0.18 -0.04 3.23 3.13 1mx5A1 TRP 1357 HB3 0.02 -0.12 0.03 -0.04 3.23 3.11 1mx5A1 TRP 1357 HD1 0.00 0.06 0.04 -0.04 7.22 7.28 1mx5A1 TRP 1357 HE1 0.01 0.08 -0.13 -0.04 10.20 10.12 1mx5A1 TRP 1357 HE3 0.06 -0.10 -0.02 -0.04 7.59 7.49 1mx5A1 TRP 1357 HZ2 0.01 0.02 -0.15 -0.04 7.44 7.28 1mx5A1 TRP 1357 HZ3 0.07 0.07 -0.00 -0.04 7.13 7.23 1mx5A1 TRP 1357 HH2 0.02 0.03 -0.04 -0.04 7.19 7.17 1mx5A1 LEU 1358 H 0.23 0.05 0.12 -0.55 8.37 8.22 1mx5A1 LEU 1358 HA -0.88 0.11 0.35 -0.75 4.35 3.18 1mx5A1 LEU 1358 HB2 0.26 0.06 0.16 -0.04 1.64 2.08 1mx5A1 LEU 1358 HB3 0.11 -0.13 0.19 -0.04 1.64 1.77 1mx5A1 LEU 1358 HG -0.18 -0.01 -0.14 -0.04 1.64 1.26 1mx5A1 LEU 1358 HD13 0.15 0.04 -0.01 -0.04 0.93 1.06 1mx5A1 LEU 1358 HD23 0.19 0.02 -0.09 -0.04 0.89 0.98 1mx5A1 ILE 1359 H -0.21 0.05 -0.02 -0.55 8.25 7.52 1mx5A1 ILE 1359 HA -0.18 0.08 0.41 -0.75 4.18 3.73 1mx5A1 ILE 1359 HB -0.47 0.02 0.10 -0.04 1.89 1.50 1mx5A1 ILE 1359 HG12 -0.05 0.01 0.04 -0.04 1.49 1.45 1mx5A1 ILE 1359 HG13 -0.09 -0.12 0.14 -0.04 1.21 1.10 1mx5A1 ILE 1359 HG23 0.04 0.02 -0.15 -0.04 0.93 0.80 1mx5A1 ILE 1359 HD13 -0.27 0.04 0.07 -0.04 0.88 0.68 1mx5A1 PRO 1360 HA -0.43 0.05 0.31 -0.51 4.44 3.86 1mx5A1 PRO 1360 HB2 -0.34 0.11 -0.10 -0.04 2.28 1.92 1mx5A1 PRO 1360 HB3 -0.38 -0.00 -0.01 -0.04 2.02 1.59 1mx5A1 PRO 1360 HG2 -0.75 0.25 -0.19 -0.04 2.03 1.30 1mx5A1 PRO 1360 HG3 -2.99 0.01 -0.03 -0.04 2.03 -1.02 1mx5A1 PRO 1360 HD2 -0.56 0.06 -0.63 -0.04 3.68 2.50 1mx5A1 PRO 1360 HD3 -1.06 -0.04 -0.05 -0.04 3.65 2.45 1mx5A1 MET 1361 H -0.54 0.44 -0.51 -0.55 8.47 7.31 1mx5A1 MET 1361 HA -0.24 0.01 0.43 -0.75 4.52 3.96 1mx5A1 MET 1361 HB2 -1.31 0.09 0.04 -0.04 2.15 0.94 1mx5A1 MET 1361 HB3 -0.89 0.15 0.20 -0.04 2.03 1.45 1mx5A1 MET 1361 HG2 -0.22 -0.02 -0.01 -0.04 2.63 2.34 1mx5A1 MET 1361 HG3 -0.71 -0.07 -0.07 -0.04 2.56 1.66 1mx5A1 MET 1361 HE3 -0.51 -0.01 -0.03 -0.04 2.10 1.51 1mx5A1 LEU 1363 H -0.32 0.50 0.12 -0.55 8.37 8.13 1mx5A1 LEU 1363 HA -0.12 0.01 0.40 -0.75 4.35 3.89 1mx5A1 LEU 1363 HB2 -0.12 0.02 0.12 -0.04 1.64 1.62 1mx5A1 LEU 1363 HB3 -0.09 -0.02 0.07 -0.04 1.64 1.57 1mx5A1 LEU 1363 HG -0.31 0.01 0.13 -0.04 1.64 1.43 1mx5A1 LEU 1363 HD13 -0.19 -0.04 -0.14 -0.04 0.93 0.53 1mx5A1 LEU 1363 HD23 -0.14 -0.01 -0.02 -0.04 0.89 0.68 1mx5A1 MET 1364 H -0.05 0.38 -0.31 -0.55 8.47 7.94 1mx5A1 MET 1364 HA 0.04 0.43 0.85 -0.75 4.52 5.09 1mx5A1 MET 1364 HB2 0.19 -0.01 -0.05 -0.04 2.15 2.24 1mx5A1 MET 1364 HB3 0.17 -0.21 0.04 -0.04 2.03 1.98 1mx5A1 MET 1364 HG2 0.06 0.38 -0.14 -0.04 2.63 2.90 1mx5A1 MET 1364 HG3 0.03 -0.04 -0.05 -0.04 2.56 2.45 1mx5A1 MET 1364 HE3 0.12 -0.00 -0.33 -0.04 2.10 1.85 1mx5A1 SER 1365 H -0.00 0.38 -0.42 -0.55 8.46 7.87 1mx5A1 SER 1365 HA 0.02 0.04 0.36 -0.75 4.49 4.16 1mx5A1 SER 1365 HB2 0.02 0.19 0.13 -0.04 3.95 4.25 1mx5A1 SER 1365 HB3 0.01 -0.11 0.15 -0.04 3.93 3.95 1mx5A1 TYR 1366 H 0.19 0.63 0.12 -0.55 8.29 8.68 1mx5A1 TYR 1366 HA 0.06 0.15 0.44 -0.75 4.56 4.46 1mx5A1 TYR 1366 HB2 0.01 0.09 0.14 -0.04 3.06 3.26 1mx5A1 TYR 1366 HB3 0.10 -0.09 -0.16 -0.04 2.98 2.79 1mx5A1 TYR 1366 HD2 0.20 0.00 -0.15 -0.04 7.15 7.16 1mx5A1 TYR 1366 HE2 0.28 -0.02 -0.11 -0.04 6.85 6.96 1mx5A1 PRO 1367 HA 0.04 0.05 0.47 -0.51 4.44 4.48 1mx5A1 PRO 1367 HB2 -0.01 -0.05 0.25 -0.04 2.28 2.44 1mx5A1 PRO 1367 HB3 -0.01 0.00 0.14 -0.04 2.02 2.12 1mx5A1 PRO 1367 HG2 -0.10 0.01 0.09 -0.04 2.03 1.99 1mx5A1 PRO 1367 HG3 -0.06 0.14 0.09 -0.04 2.03 2.16 1mx5A1 PRO 1367 HD2 -0.28 0.02 0.13 -0.04 3.68 3.51 1mx5A1 PRO 1367 HD3 -0.29 0.28 0.25 -0.04 3.65 3.85 1mx5A1 LEU 1368 H 0.10 0.53 0.20 -0.55 8.37 8.65 1mx5A1 LEU 1368 HA 0.09 0.14 0.86 -0.75 4.35 4.69 1mx5A1 LEU 1368 HB2 0.15 0.10 -0.01 -0.04 1.64 1.85 1mx5A1 LEU 1368 HB3 0.14 -0.08 0.14 -0.04 1.64 1.81 1mx5A1 LEU 1368 HG 0.33 -0.05 -0.62 -0.04 1.64 1.26 1mx5A1 LEU 1368 HD13 0.27 0.00 -0.10 -0.04 0.93 1.06 1mx5A1 LEU 1368 HD23 0.21 0.07 -0.09 -0.04 0.89 1.04 1mx5A1 SER 1369 H 0.06 0.17 -0.02 -0.55 8.46 8.13 1mx5A1 SER 1369 HA 0.07 0.15 0.43 -0.75 4.49 4.39 1mx5A1 SER 1369 HB2 0.04 0.04 0.15 -0.04 3.95 4.14 1mx5A1 SER 1369 HB3 0.05 0.05 0.10 -0.04 3.93 4.09 1mx5A1 GLU 1370 H 0.05 -0.05 -0.82 -0.55 8.60 7.24 1mx5A1 GLU 1370 HA 0.03 0.20 0.73 -0.75 4.29 4.50 1mx5A1 GLU 1370 HB2 0.04 0.05 0.13 -0.04 2.09 2.27 1mx5A1 GLU 1370 HB3 0.03 -0.05 0.00 -0.04 1.99 1.93 1mx5A1 GLU 1370 HG2 0.03 -0.07 -0.12 -0.04 2.34 2.14 1mx5A1 GLU 1370 HG3 0.02 0.02 -0.02 -0.04 2.34 2.32 1mx5A1 GLY 1371 H 0.06 0.15 0.05 -0.55 8.43 8.14 1mx5A1 GLY 1371 HA2 0.07 0.06 0.34 -0.51 4.01 3.97 1mx5A1 GLY 1371 HA3 0.05 0.21 0.81 -0.51 4.01 4.57 1mx5A1 GLN 1372 H 0.04 0.11 -0.14 -0.55 8.47 7.94 1mx5A1 GLN 1372 HA 0.05 0.21 0.68 -0.75 4.36 4.54 1mx5A1 GLN 1372 HB2 0.03 -0.21 -0.23 -0.04 2.15 1.69 1mx5A1 GLN 1372 HB3 0.03 0.07 -0.29 -0.04 2.02 1.79 1mx5A1 GLN 1372 HG2 0.02 -0.00 -0.44 -0.04 2.40 1.93 1mx5A1 GLN 1372 HG3 0.02 -0.01 -0.13 -0.04 2.39 2.23 1mx5A1 GLN 1372 HE21 0.02 0.05 -0.07 -0.04 6.97 6.93 1mx5A1 GLN 1372 HE22 0.01 -0.03 -0.11 -0.04 7.69 7.52 1mx5A1 LEU 1373 H 0.02 0.46 0.20 -0.55 8.37 8.51 1mx5A1 LEU 1373 HA -0.02 0.05 0.57 -0.75 4.35 4.21 1mx5A1 LEU 1373 HB2 -0.01 0.09 -0.38 -0.04 1.64 1.30 1mx5A1 LEU 1373 HB3 -0.02 -0.03 -0.13 -0.04 1.64 1.42 1mx5A1 LEU 1373 HG -0.16 -0.02 -0.11 -0.04 1.64 1.32 1mx5A1 LEU 1373 HD13 -0.09 0.00 0.04 -0.04 0.93 0.85 1mx5A1 LEU 1373 HD23 -0.48 0.02 -0.09 -0.04 0.89 0.30 1mx5A1 ASP 1374 H -0.02 0.13 0.16 -0.55 8.40 8.12 1mx5A1 ASP 1374 HA 0.01 0.31 1.00 -0.75 4.63 5.19 1mx5A1 ASP 1374 HB2 0.00 0.02 0.11 -0.04 2.71 2.81 1mx5A1 ASP 1374 HB3 0.00 0.08 0.02 -0.04 2.70 2.77 1mx5A1 GLN 1375 H 0.01 0.26 0.13 -0.55 8.47 8.33 1mx5A1 GLN 1375 HA 0.03 0.11 0.30 -0.75 4.36 4.04 1mx5A1 GLN 1375 HB2 0.01 -0.09 0.13 -0.04 2.15 2.16 1mx5A1 GLN 1375 HB3 0.02 0.07 -0.05 -0.04 2.02 2.02 1mx5A1 GLN 1375 HG2 0.02 0.00 0.08 -0.04 2.40 2.47 1mx5A1 GLN 1375 HG3 0.02 0.06 0.01 -0.04 2.39 2.44 1mx5A1 GLN 1375 HE21 0.06 0.04 -0.30 -0.04 6.97 6.72 1mx5A1 GLN 1375 HE22 0.04 -0.06 -0.07 -0.04 7.69 7.56 1mx5A1 LYS 1376 H 0.01 0.08 -0.17 -0.55 8.42 7.78 1mx5A1 LYS 1376 HA 0.01 0.11 0.37 -0.75 4.32 4.05 1mx5A1 LYS 1376 HB2 0.00 -0.07 0.07 -0.04 1.87 1.83 1mx5A1 LYS 1376 HB3 0.00 0.08 0.00 -0.04 1.79 1.83 1mx5A1 LYS 1376 HG2 0.00 0.06 0.02 -0.04 1.46 1.50 1mx5A1 LYS 1376 HG3 0.00 -0.07 0.06 -0.04 1.46 1.41 1mx5A1 LYS 1376 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 1mx5A1 LYS 1376 HD3 0.00 0.04 0.00 -0.04 1.68 1.68 1mx5A1 LYS 1376 HE2 0.00 0.02 -0.00 -0.04 2.99 2.97 1mx5A1 LYS 1376 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 1mx5A1 THR 1377 H -0.01 0.04 -0.09 -0.55 8.28 7.67 1mx5A1 THR 1377 HA -0.01 0.10 0.45 -0.75 4.39 4.18 1mx5A1 THR 1377 HB -0.05 -0.08 0.15 -0.04 4.32 4.31 1mx5A1 THR 1377 HG23 -0.04 0.02 0.01 -0.04 1.22 1.18 1mx5A1 ALA 1378 H -0.06 0.71 -0.17 -0.55 8.40 8.33 1mx5A1 ALA 1378 HA -0.40 -0.01 0.35 -0.75 4.34 3.52 1mx5A1 ALA 1378 HB3 -0.05 0.05 -0.04 -0.04 1.41 1.33 1mx5A1 MET 1379 H 0.03 0.51 -0.19 -0.55 8.47 8.26 1mx5A1 MET 1379 HA 0.14 0.00 0.38 -0.75 4.52 4.29 1mx5A1 MET 1379 HB2 0.04 0.16 0.08 -0.04 2.15 2.39 1mx5A1 MET 1379 HB3 0.05 -0.03 0.00 -0.04 2.03 2.01 1mx5A1 MET 1379 HG2 0.08 -0.02 -0.13 -0.04 2.63 2.51 1mx5A1 MET 1379 HG3 0.05 0.16 -0.00 -0.04 2.56 2.73 1mx5A1 MET 1379 HE3 0.02 0.01 -0.16 -0.04 2.10 1.92 1mx5A1 SER 1380 H 0.04 0.37 -0.50 -0.55 8.46 7.83 1mx5A1 SER 1380 HA 0.16 0.06 0.57 -0.75 4.49 4.52 1mx5A1 SER 1380 HB2 0.05 -0.03 0.15 -0.04 3.95 4.07 1mx5A1 SER 1380 HB3 0.03 0.30 0.32 -0.04 3.93 4.54 1mx5A1 LEU 1381 H 0.03 0.41 0.10 -0.55 8.37 8.36 1mx5A1 LEU 1381 HA 0.09 0.07 0.46 -0.75 4.35 4.22 1mx5A1 LEU 1381 HB2 -0.12 0.04 0.15 -0.04 1.64 1.67 1mx5A1 LEU 1381 HB3 0.39 -0.00 -0.07 -0.04 1.64 1.92 1mx5A1 LEU 1381 HG -0.03 -0.01 0.06 -0.04 1.64 1.62 1mx5A1 LEU 1381 HD13 0.04 0.02 -0.03 -0.04 0.93 0.93 1mx5A1 LEU 1381 HD23 -0.08 0.01 0.03 -0.04 0.89 0.81 1mx5A1 LEU 1382 H 0.31 0.52 -0.16 -0.55 8.37 8.50 1mx5A1 LEU 1382 HA 0.32 0.01 0.29 -0.75 4.35 4.22 1mx5A1 LEU 1382 HB2 0.47 0.08 0.07 -0.04 1.64 2.22 1mx5A1 LEU 1382 HB3 0.30 0.07 -0.01 -0.04 1.64 1.95 1mx5A1 LEU 1382 HG 0.25 0.02 -0.12 -0.04 1.64 1.75 1mx5A1 LEU 1382 HD13 0.07 -0.00 -0.05 -0.04 0.93 0.91 1mx5A1 LEU 1382 HD23 0.23 -0.02 -0.05 -0.04 0.89 1.02 1mx5A1 TRP 1383 H 0.39 0.28 -0.56 -0.55 7.97 7.53 1mx5A1 TRP 1383 HA 0.14 0.07 0.51 -0.75 4.62 4.59 1mx5A1 TRP 1383 HB2 0.07 0.05 0.19 -0.04 3.23 3.50 1mx5A1 TRP 1383 HB3 0.06 0.18 0.26 -0.04 3.23 3.69 1mx5A1 TRP 1383 HD1 0.01 0.03 0.05 -0.04 7.22 7.28 1mx5A1 TRP 1383 HE1 -0.02 -0.02 0.06 -0.04 10.20 10.17 1mx5A1 TRP 1383 HE3 0.14 0.15 0.08 -0.04 7.59 7.93 1mx5A1 TRP 1383 HZ2 -0.11 -0.01 0.06 -0.04 7.44 7.34 1mx5A1 TRP 1383 HZ3 0.03 0.04 0.05 -0.04 7.13 7.22 1mx5A1 TRP 1383 HH2 -0.27 0.00 0.06 -0.04 7.19 6.94 1mx5A1 LYS 1384 H 0.17 0.52 0.12 -0.55 8.42 8.67 1mx5A1 LYS 1384 HA -0.23 0.04 0.49 -0.75 4.32 3.87 1mx5A1 LYS 1384 HB2 0.00 0.00 0.18 -0.04 1.87 2.01 1mx5A1 LYS 1384 HB3 -0.08 0.05 0.06 -0.04 1.79 1.78 1mx5A1 LYS 1384 HG2 0.08 0.11 0.14 -0.04 1.46 1.75 1mx5A1 LYS 1384 HG3 -0.00 -0.09 0.05 -0.04 1.46 1.38 1mx5A1 LYS 1384 HD2 -0.05 0.11 0.21 -0.04 1.69 1.92 1mx5A1 LYS 1384 HD3 -0.11 -0.05 0.15 -0.04 1.68 1.63 1mx5A1 LYS 1384 HE2 0.12 -0.09 0.08 -0.04 2.99 3.06 1mx5A1 LYS 1384 HE3 0.03 -0.03 0.11 -0.04 2.99 3.05 1mx5A1 SER 1385 H 0.11 0.45 -0.58 -0.55 8.46 7.90 1mx5A1 SER 1385 HA 0.05 0.08 0.49 -0.75 4.49 4.36 1mx5A1 SER 1385 HB2 0.11 0.09 0.02 -0.04 3.95 4.13 1mx5A1 SER 1385 HB3 0.09 -0.15 0.10 -0.04 3.93 3.93 1mx5A1 TYR 1386 H -0.06 0.56 -0.61 -0.55 8.29 7.63 1mx5A1 TYR 1386 HA -0.05 -0.21 0.40 -0.75 4.56 3.94 1mx5A1 TYR 1386 HB2 -0.67 0.17 0.16 -0.04 3.06 2.68 1mx5A1 TYR 1386 HB3 -0.45 0.12 -0.08 -0.04 2.98 2.52 1mx5A1 TYR 1386 HD2 -0.02 0.22 -0.23 -0.04 7.15 7.08 1mx5A1 TYR 1386 HE2 0.06 0.04 -0.21 -0.04 6.85 6.70 1mx5A1 PRO 1387 HA -0.15 0.11 0.42 -0.51 4.44 4.31 1mx5A1 PRO 1387 HB2 -0.03 -0.06 -0.04 -0.04 2.28 2.12 1mx5A1 PRO 1387 HB3 -0.01 0.29 0.08 -0.04 2.02 2.34 1mx5A1 PRO 1387 HG2 -0.02 -0.10 -0.06 -0.04 2.03 1.82 1mx5A1 PRO 1387 HG3 -0.02 0.03 0.04 -0.04 2.03 2.03 1mx5A1 PRO 1387 HD2 -0.04 0.06 -0.24 -0.04 3.68 3.41 1mx5A1 PRO 1387 HD3 -0.02 0.33 0.15 -0.04 3.65 4.07 1mx5A1 LEU 1388 H -0.10 0.38 -0.37 -0.55 8.37 7.74 1mx5A1 LEU 1388 HA -0.13 0.13 0.76 -0.75 4.35 4.35 1mx5A1 LEU 1388 HB2 -0.08 0.07 0.09 -0.04 1.64 1.68 1mx5A1 LEU 1388 HB3 -0.14 -0.09 -0.05 -0.04 1.64 1.32 1mx5A1 LEU 1388 HG 0.04 0.03 -0.11 -0.04 1.64 1.57 1mx5A1 LEU 1388 HD13 0.16 -0.02 -0.08 -0.04 0.93 0.94 1mx5A1 LEU 1388 HD23 -0.00 0.01 -0.10 -0.04 0.89 0.76 1mx5A1 VAL 1389 H -0.17 0.45 0.10 -0.55 8.24 8.07 1mx5A1 VAL 1389 HA -0.24 0.14 0.75 -0.75 4.13 4.04 1mx5A1 VAL 1389 HB -0.13 -0.04 -0.08 -0.04 2.12 1.82 1mx5A1 VAL 1389 HG13 -0.26 -0.02 -0.07 -0.04 0.97 0.57 1mx5A1 VAL 1389 HG23 -0.03 0.04 -0.06 -0.04 0.95 0.87 1mx5A1 CYS 1390 H -0.36 0.28 0.17 -0.55 8.50 8.04 1mx5A1 CYS 1390 HA -1.25 0.09 0.31 -0.75 4.58 2.98 1mx5A1 CYS 1390 HB2 -0.30 0.26 0.09 -0.04 2.97 2.98 1mx5A1 CYS 1390 HB3 -0.30 -0.11 0.20 -0.04 2.97 2.72 1mx5A1 ILE 1391 H 0.14 0.12 -0.07 -0.55 8.25 7.88 1mx5A1 ILE 1391 HA 0.41 0.18 0.76 -0.75 4.18 4.77 1mx5A1 ILE 1391 HB 0.30 0.02 -0.00 -0.04 1.89 2.17 1mx5A1 ILE 1391 HG12 0.37 0.08 -0.18 -0.04 1.49 1.72 1mx5A1 ILE 1391 HG13 0.15 -0.02 -0.35 -0.04 1.21 0.96 1mx5A1 ILE 1391 HG23 0.27 0.01 -0.25 -0.04 0.93 0.92 1mx5A1 ILE 1391 HD13 0.21 -0.01 -0.12 -0.04 0.88 0.92 1mx5A1 ALA 1392 H 0.34 0.24 0.12 -0.55 8.40 8.54 1mx5A1 ALA 1392 HA 0.45 0.10 0.38 -0.75 4.34 4.51 1mx5A1 ALA 1392 HB3 0.16 0.03 0.12 -0.04 1.41 1.68 1mx5A1 LYS 1393 H -0.16 0.21 0.21 -0.55 8.42 8.12 1mx5A1 LYS 1393 HA -0.46 0.12 0.42 -0.75 4.32 3.65 1mx5A1 LYS 1393 HB2 -2.72 0.05 0.20 -0.04 1.87 -0.64 1mx5A1 LYS 1393 HB3 -0.70 -0.00 0.09 -0.04 1.79 1.15 1mx5A1 LYS 1393 HG2 -0.56 -0.00 0.06 -0.04 1.46 0.91 1mx5A1 LYS 1393 HG3 -1.11 0.03 0.16 -0.04 1.46 0.49 1mx5A1 LYS 1393 HD2 -1.66 0.02 0.07 -0.04 1.69 0.08 1mx5A1 LYS 1393 HD3 -0.60 -0.01 0.04 -0.04 1.68 1.07 1mx5A1 LYS 1393 HE2 -0.27 0.00 0.03 -0.04 2.99 2.71 1mx5A1 LYS 1393 HE3 -0.32 -0.01 0.03 -0.04 2.99 2.64 1mx5A1 GLU 1394 H -0.06 -0.00 -0.64 -0.55 8.60 7.35 1mx5A1 GLU 1394 HA -0.09 0.17 0.67 -0.75 4.29 4.28 1mx5A1 GLU 1394 HB2 -0.03 0.04 0.08 -0.04 2.09 2.14 1mx5A1 GLU 1394 HB3 -0.06 -0.01 0.02 -0.04 1.99 1.91 1mx5A1 GLU 1394 HG2 0.02 -0.17 -0.03 -0.04 2.34 2.11 1mx5A1 GLU 1394 HG3 0.02 0.08 -0.18 -0.04 2.34 2.22 1mx5A1 LEU 1395 H 0.04 0.59 -0.12 -0.55 8.37 8.33 1mx5A1 LEU 1395 HA 0.01 0.17 0.83 -0.75 4.35 4.61 1mx5A1 LEU 1395 HB2 0.13 0.06 0.00 -0.04 1.64 1.79 1mx5A1 LEU 1395 HB3 0.03 -0.02 0.05 -0.04 1.64 1.65 1mx5A1 LEU 1395 HG 0.08 -0.14 -0.05 -0.04 1.64 1.49 1mx5A1 LEU 1395 HD13 0.13 0.02 0.03 -0.04 0.93 1.07 1mx5A1 LEU 1395 HD23 0.01 0.03 -0.05 -0.04 0.89 0.83 1mx5A1 ILE 1396 H 0.05 0.28 -0.13 -0.55 8.25 7.90 1mx5A1 ILE 1396 HA 0.16 0.00 0.24 -0.75 4.18 3.83 1mx5A1 ILE 1396 HB -0.00 0.12 0.07 -0.04 1.89 2.04 1mx5A1 ILE 1396 HG12 0.10 0.10 -0.09 -0.04 1.49 1.56 1mx5A1 ILE 1396 HG13 0.15 0.01 -0.01 -0.04 1.21 1.32 1mx5A1 ILE 1396 HG23 0.14 0.04 -0.07 -0.04 0.93 0.99 1mx5A1 ILE 1396 HD13 0.36 0.01 -0.23 -0.04 0.88 0.98 1mx5A1 PRO 1397 HA 0.04 0.01 0.34 -0.51 4.44 4.32 1mx5A1 PRO 1397 HB2 0.00 0.04 -0.02 -0.04 2.28 2.27 1mx5A1 PRO 1397 HB3 0.00 0.01 0.01 -0.04 2.02 2.00 1mx5A1 PRO 1397 HG2 -0.03 0.10 0.00 -0.04 2.03 2.06 1mx5A1 PRO 1397 HG3 -0.02 0.01 0.02 -0.04 2.03 2.00 1mx5A1 PRO 1397 HD2 -0.01 0.13 -0.53 -0.04 3.68 3.24 1mx5A1 PRO 1397 HD3 -0.03 0.20 -0.02 -0.04 3.65 3.76 1mx5A1 GLU 1398 H 0.03 0.23 -0.28 -0.55 8.60 8.03 1mx5A1 GLU 1398 HA 0.04 0.01 0.36 -0.75 4.29 3.94 1mx5A1 GLU 1398 HB2 0.01 -0.00 0.11 -0.04 2.09 2.16 1mx5A1 GLU 1398 HB3 0.01 0.13 0.10 -0.04 1.99 2.20 1mx5A1 GLU 1398 HG2 0.11 -0.02 -0.12 -0.04 2.34 2.27 1mx5A1 GLU 1398 HG3 0.04 -0.03 0.04 -0.04 2.34 2.34 1mx5A1 ALA 1399 H 0.08 0.59 -0.15 -0.55 8.40 8.37 1mx5A1 ALA 1399 HA 0.15 0.04 0.41 -0.75 4.34 4.18 1mx5A1 ALA 1399 HB3 0.16 0.01 0.02 -0.04 1.41 1.56 1mx5A1 THR 1400 H 0.12 0.70 0.03 -0.55 8.28 8.58 1mx5A1 THR 1400 HA 0.17 -0.01 0.27 -0.75 4.39 4.06 1mx5A1 THR 1400 HB 0.09 0.09 0.01 -0.04 4.32 4.47 1mx5A1 THR 1400 HG23 0.13 -0.02 -0.10 -0.04 1.22 1.19 1mx5A1 GLU 1401 H 0.07 0.51 -0.43 -0.55 8.60 8.20 1mx5A1 GLU 1401 HA 0.04 -0.04 0.45 -0.75 4.29 3.99 1mx5A1 GLU 1401 HB2 0.03 0.06 0.08 -0.04 2.09 2.22 1mx5A1 GLU 1401 HB3 0.03 0.14 0.13 -0.04 1.99 2.25 1mx5A1 GLU 1401 HG2 0.01 -0.00 -0.03 -0.04 2.34 2.27 1mx5A1 GLU 1401 HG3 -0.00 0.02 -0.18 -0.04 2.34 2.13 1mx5A1 LYS 1402 H 0.01 0.57 -0.02 -0.55 8.42 8.43 1mx5A1 LYS 1402 HA -0.16 -0.02 0.33 -0.75 4.32 3.71 1mx5A1 LYS 1402 HB2 -0.26 0.04 0.17 -0.04 1.87 1.78 1mx5A1 LYS 1402 HB3 -0.32 0.17 0.16 -0.04 1.79 1.76 1mx5A1 LYS 1402 HG2 -3.05 -0.04 0.01 -0.04 1.46 -1.67 1mx5A1 LYS 1402 HG3 -0.87 -0.03 -0.05 -0.04 1.46 0.47 1mx5A1 LYS 1402 HD2 -0.37 0.00 0.14 -0.04 1.69 1.42 1mx5A1 LYS 1402 HD3 -0.37 0.01 0.05 -0.04 1.68 1.33 1mx5A1 LYS 1402 HE2 -0.54 -0.00 0.02 -0.04 2.99 2.42 1mx5A1 LYS 1402 HE3 -0.58 -0.03 0.02 -0.04 2.99 2.35 1mx5A1 TYR 1403 H 0.16 0.13 -0.95 -0.55 8.29 7.08 1mx5A1 TYR 1403 HA -0.07 0.19 1.03 -0.75 4.56 4.95 1mx5A1 TYR 1403 HB2 0.06 0.05 0.02 -0.04 3.06 3.14 1mx5A1 TYR 1403 HB3 0.07 -0.02 -0.10 -0.04 2.98 2.89 1mx5A1 TYR 1403 HD2 -0.09 0.11 -0.14 -0.04 7.15 6.98 1mx5A1 TYR 1403 HE2 -0.09 -0.03 -0.20 -0.04 6.85 6.48 1mx5A1 LEU 1404 H 0.15 0.71 0.23 -0.55 8.37 8.92 1mx5A1 LEU 1404 HA 0.09 0.10 0.81 -0.75 4.35 4.60 1mx5A1 LEU 1404 HB2 0.09 0.02 0.04 -0.04 1.64 1.74 1mx5A1 LEU 1404 HB3 0.09 -0.09 0.13 -0.04 1.64 1.72 1mx5A1 LEU 1404 HG 0.20 0.19 0.08 -0.04 1.64 2.07 1mx5A1 LEU 1404 HD13 0.12 -0.04 -0.14 -0.04 0.93 0.83 1mx5A1 LEU 1404 HD23 0.24 -0.03 -0.30 -0.04 0.89 0.77 1mx5A1 GLY 1405 H 0.03 0.64 -0.01 -0.55 8.43 8.55 1mx5A1 GLY 1405 HA2 0.02 0.01 0.42 -0.51 4.01 3.95 1mx5A1 GLY 1405 HA3 0.00 0.05 0.32 -0.51 4.01 3.88 1mx5A1 GLY 1406 H 0.00 0.07 -0.68 -0.55 8.43 7.28 1mx5A1 GLY 1406 HA2 -0.02 0.08 0.46 -0.51 4.01 4.03 1mx5A1 GLY 1406 HA3 -0.01 -0.01 0.24 -0.51 4.01 3.72 1mx5A1 THR 1407 H 0.02 0.12 0.02 -0.55 8.28 7.89 1mx5A1 THR 1407 HA 0.01 0.25 0.93 -0.75 4.39 4.83 1mx5A1 THR 1407 HB 0.02 -0.28 0.18 -0.04 4.32 4.20 1mx5A1 THR 1407 HG23 0.01 0.02 -0.05 -0.04 1.22 1.17 1mx5A1 ASP 1408 H 0.01 0.11 0.18 -0.55 8.40 8.15 1mx5A1 ASP 1408 HA 0.01 0.23 0.69 -0.75 4.63 4.81 1mx5A1 ASP 1408 HB2 0.01 -0.03 0.06 -0.04 2.71 2.71 1mx5A1 ASP 1408 HB3 0.01 -0.01 0.11 -0.04 2.70 2.77 1mx5A1 ASP 1409 H 0.02 -0.01 -0.01 -0.55 8.40 7.85 1mx5A1 ASP 1409 HA 0.02 0.08 0.50 -0.75 4.63 4.48 1mx5A1 ASP 1409 HB2 0.02 0.10 0.16 -0.04 2.71 2.94 1mx5A1 ASP 1409 HB3 0.03 -0.00 0.14 -0.04 2.70 2.82 1mx5A1 THR 1410 H 0.02 0.19 0.27 -0.55 8.28 8.21 1mx5A1 THR 1410 HA 0.03 0.32 0.56 -0.75 4.39 4.55 1mx5A1 THR 1410 HB 0.02 -0.16 0.02 -0.04 4.32 4.15 1mx5A1 THR 1410 HG23 0.01 0.04 0.04 -0.04 1.22 1.27 1mx5A1 VAL 1411 H 0.03 0.08 0.00 -0.55 8.24 7.80 1mx5A1 VAL 1411 HA 0.05 0.26 0.68 -0.75 4.13 4.37 1mx5A1 VAL 1411 HB 0.03 -0.08 0.12 -0.04 2.12 2.15 1mx5A1 VAL 1411 HG13 0.04 0.06 -0.04 -0.04 0.97 1.00 1mx5A1 VAL 1411 HG23 0.03 0.04 0.03 -0.04 0.95 1.01 1mx5A1 LYS 1412 H 0.04 0.03 -0.18 -0.55 8.42 7.76 1mx5A1 LYS 1412 HA 0.06 0.11 0.44 -0.75 4.32 4.17 1mx5A1 LYS 1412 HB2 0.04 -0.02 0.06 -0.04 1.87 1.91 1mx5A1 LYS 1412 HB3 0.04 0.06 0.04 -0.04 1.79 1.89 1mx5A1 LYS 1412 HG2 0.04 0.06 0.03 -0.04 1.46 1.55 1mx5A1 LYS 1412 HG3 0.03 -0.08 0.03 -0.04 1.46 1.41 1mx5A1 LYS 1412 HD2 0.02 -0.07 0.04 -0.04 1.69 1.65 1mx5A1 LYS 1412 HD3 0.02 0.05 0.02 -0.04 1.68 1.74 1mx5A1 LYS 1412 HE2 0.02 0.04 0.01 -0.04 2.99 3.01 1mx5A1 LYS 1412 HE3 0.02 -0.02 0.02 -0.04 2.99 2.96 1mx5A1 LYS 1413 H 0.06 0.20 -0.59 -0.55 8.42 7.53 1mx5A1 LYS 1413 HA 0.10 0.07 0.42 -0.75 4.32 4.16 1mx5A1 LYS 1413 HB2 0.05 0.21 0.27 -0.04 1.87 2.36 1mx5A1 LYS 1413 HB3 0.06 -0.10 -0.09 -0.04 1.79 1.62 1mx5A1 LYS 1413 HG2 0.06 0.01 0.08 -0.04 1.46 1.57 1mx5A1 LYS 1413 HG3 0.04 0.27 -0.01 -0.04 1.46 1.72 1mx5A1 LYS 1413 HD2 0.03 0.13 0.20 -0.04 1.69 2.00 1mx5A1 LYS 1413 HD3 0.03 -0.18 -0.03 -0.04 1.68 1.46 1mx5A1 LYS 1413 HE2 0.03 0.05 -0.15 -0.04 2.99 2.87 1mx5A1 LYS 1413 HE3 0.02 -0.28 0.07 -0.04 2.99 2.77 1mx5A1 LYS 1414 H 0.08 0.39 -0.12 -0.55 8.42 8.22 1mx5A1 LYS 1414 HA 0.16 0.00 0.31 -0.75 4.32 4.04 1mx5A1 LYS 1414 HB2 0.08 -0.08 -0.09 -0.04 1.87 1.74 1mx5A1 LYS 1414 HB3 0.10 0.22 0.12 -0.04 1.79 2.19 1mx5A1 LYS 1414 HG2 0.19 -0.03 -0.25 -0.04 1.46 1.32 1mx5A1 LYS 1414 HG3 0.16 -0.03 -0.08 -0.04 1.46 1.47 1mx5A1 LYS 1414 HD2 0.14 0.03 -0.06 -0.04 1.69 1.75 1mx5A1 LYS 1414 HD3 0.10 -0.15 -0.28 -0.04 1.68 1.30 1mx5A1 LYS 1414 HE2 0.09 -0.02 0.03 -0.04 2.99 3.05 1mx5A1 LYS 1414 HE3 0.09 0.17 0.04 -0.04 2.99 3.24 1mx5A1 ASP 1415 H 0.12 0.38 -0.27 -0.55 8.40 8.08 1mx5A1 ASP 1415 HA 0.15 0.04 0.39 -0.75 4.63 4.45 1mx5A1 ASP 1415 HB2 0.09 0.12 0.11 -0.04 2.71 2.99 1mx5A1 ASP 1415 HB3 0.10 -0.02 0.02 -0.04 2.70 2.76 1mx5A1 LEU 1416 H 0.16 0.45 -0.29 -0.55 8.37 8.14 1mx5A1 LEU 1416 HA 0.19 0.03 0.52 -0.75 4.35 4.34 1mx5A1 LEU 1416 HB2 0.18 0.09 0.07 -0.04 1.64 1.94 1mx5A1 LEU 1416 HB3 0.23 -0.02 -0.00 -0.04 1.64 1.81 1mx5A1 LEU 1416 HG 0.09 0.18 0.09 -0.04 1.64 1.97 1mx5A1 LEU 1416 HD13 0.05 0.07 0.08 -0.04 0.93 1.09 1mx5A1 LEU 1416 HD23 0.06 -0.02 0.01 -0.04 0.89 0.90 1mx5A1 PHE 1417 H 0.31 0.44 -0.38 -0.55 8.34 8.16 1mx5A1 PHE 1417 HA 0.08 0.04 0.50 -0.75 4.62 4.49 1mx5A1 PHE 1417 HB2 0.10 0.03 0.04 -0.04 3.15 3.28 1mx5A1 PHE 1417 HB3 0.12 0.19 0.16 -0.04 3.06 3.48 1mx5A1 PHE 1417 HD2 0.12 0.03 -0.08 -0.04 7.28 7.31 1mx5A1 PHE 1417 HE2 0.20 0.04 -0.07 -0.04 7.38 7.51 1mx5A1 PHE 1417 HZ 0.15 -0.03 -0.24 -0.04 7.32 7.15 1mx5A1 LEU 1418 H 0.25 0.56 -0.04 -0.55 8.37 8.60 1mx5A1 LEU 1418 HA 0.10 0.04 0.40 -0.75 4.35 4.13 1mx5A1 LEU 1418 HB2 0.19 0.08 0.00 -0.04 1.64 1.88 1mx5A1 LEU 1418 HB3 0.28 0.03 -0.10 -0.04 1.64 1.81 1mx5A1 LEU 1418 HG 0.28 0.21 0.06 -0.04 1.64 2.15 1mx5A1 LEU 1418 HD13 0.17 0.01 0.03 -0.04 0.93 1.10 1mx5A1 LEU 1418 HD23 0.39 0.00 -0.05 -0.04 0.89 1.20 1mx5A1 ASP 1419 H 0.15 0.21 -0.74 -0.55 8.40 7.47 1mx5A1 ASP 1419 HA 0.14 -0.00 0.49 -0.75 4.63 4.50 1mx5A1 ASP 1419 HB2 0.29 0.21 0.15 -0.04 2.71 3.32 1mx5A1 ASP 1419 HB3 0.28 -0.05 0.00 -0.04 2.70 2.89 1mx5A1 LEU 1420 H 0.02 0.43 -0.20 -0.55 8.37 8.07 1mx5A1 LEU 1420 HA -0.66 0.01 0.36 -0.75 4.35 3.30 1mx5A1 LEU 1420 HB2 -0.37 0.12 0.19 -0.04 1.64 1.53 1mx5A1 LEU 1420 HB3 -0.44 0.19 0.23 -0.04 1.64 1.58 1mx5A1 LEU 1420 HG -0.12 -0.03 -0.08 -0.04 1.64 1.36 1mx5A1 LEU 1420 HD13 -0.17 -0.02 -0.29 -0.04 0.93 0.42 1mx5A1 LEU 1420 HD23 -0.59 -0.01 -0.09 -0.04 0.89 0.16 1mx5A1 ILE 1421 H -0.45 0.54 -0.15 -0.55 8.25 7.64 1mx5A1 ILE 1421 HA -0.45 0.07 0.34 -0.75 4.18 3.38 1mx5A1 ILE 1421 HB -0.87 0.04 0.05 -0.04 1.89 1.07 1mx5A1 ILE 1421 HG12 -0.56 -0.00 -0.04 -0.04 1.49 0.84 1mx5A1 ILE 1421 HG13 -0.97 0.11 0.01 -0.04 1.21 0.33 1mx5A1 ILE 1421 HG23 -1.17 -0.01 -0.18 -0.04 0.93 -0.47 1mx5A1 ILE 1421 HD13 -0.62 -0.00 -0.10 -0.04 0.88 0.12 1mx5A1 ALA 1422 H -0.11 0.45 -0.30 -0.55 8.40 7.89 1mx5A1 ALA 1422 HA 0.18 0.01 0.36 -0.75 4.34 4.14 1mx5A1 ALA 1422 HB3 0.15 -0.00 0.12 -0.04 1.41 1.63 1mx5A1 ASP 1423 H -0.01 0.63 -0.22 -0.55 8.40 8.25 1mx5A1 ASP 1423 HA 0.04 -0.15 0.53 -0.75 4.63 4.29 1mx5A1 ASP 1423 HB2 0.12 0.28 0.17 -0.04 2.71 3.24 1mx5A1 ASP 1423 HB3 0.13 -0.04 -0.04 -0.04 2.70 2.70 1mx5A1 VAL 1424 H -0.41 0.43 -0.12 -0.55 8.24 7.59 1mx5A1 VAL 1424 HA -0.70 0.01 0.39 -0.75 4.13 3.08 1mx5A1 VAL 1424 HB -0.49 0.04 0.13 -0.04 2.12 1.76 1mx5A1 VAL 1424 HG13 -0.29 -0.00 -0.09 -0.04 0.97 0.54 1mx5A1 VAL 1424 HG23 -1.48 0.02 0.00 -0.04 0.95 -0.55 1mx5A1 MET 1425 H -0.31 0.47 -0.13 -0.55 8.47 7.95 1mx5A1 MET 1425 HA -0.44 0.14 0.50 -0.75 4.52 3.97 1mx5A1 MET 1425 HB2 -0.31 -0.05 0.10 -0.04 2.15 1.85 1mx5A1 MET 1425 HB3 -1.14 -0.09 -0.04 -0.04 2.03 0.72 1mx5A1 MET 1425 HG2 -0.36 0.18 -0.07 -0.04 2.63 2.34 1mx5A1 MET 1425 HG3 -0.36 0.11 -0.02 -0.04 2.56 2.25 1mx5A1 MET 1425 HE3 -0.13 -0.02 -0.15 -0.04 2.10 1.75 1mx5A1 PHE 1426 H 0.00 0.63 0.02 -0.55 8.34 8.44 1mx5A1 PHE 1426 HA -0.06 0.20 1.05 -0.75 4.62 5.06 1mx5A1 PHE 1426 HB2 0.01 -0.01 0.15 -0.04 3.15 3.26 1mx5A1 PHE 1426 HB3 0.01 -0.10 0.01 -0.04 3.06 2.94 1mx5A1 PHE 1426 HD2 0.01 -0.02 -0.15 -0.04 7.28 7.07 1mx5A1 PHE 1426 HE2 0.00 0.03 -0.04 -0.04 7.38 7.33 1mx5A1 PHE 1426 HZ -0.25 -0.01 -0.01 -0.04 7.32 7.00 1mx5A1 GLY 1427 H 0.13 0.38 0.22 -0.55 8.43 8.61 1mx5A1 GLY 1427 HA2 0.04 -0.02 0.33 -0.51 4.01 3.85 1mx5A1 GLY 1427 HA3 0.05 -0.02 0.40 -0.51 4.01 3.94 1mx5A1 VAL 1428 H -0.03 0.64 0.10 -0.55 8.24 8.40 1mx5A1 VAL 1428 HA 0.04 -0.03 0.37 -0.75 4.13 3.75 1mx5A1 VAL 1428 HB -0.09 0.22 0.04 -0.04 2.12 2.25 1mx5A1 VAL 1428 HG13 0.11 -0.02 -0.15 -0.04 0.97 0.87 1mx5A1 VAL 1428 HG23 0.16 -0.04 -0.16 -0.04 0.95 0.86 1mx5A1 PRO 1429 HA -0.05 0.04 0.34 -0.51 4.44 4.26 1mx5A1 PRO 1429 HB2 -0.10 0.01 -0.19 -0.04 2.28 1.96 1mx5A1 PRO 1429 HB3 -0.11 -0.09 -0.33 -0.04 2.02 1.45 1mx5A1 PRO 1429 HG2 -0.21 0.23 -0.14 -0.04 2.03 1.87 1mx5A1 PRO 1429 HG3 -0.13 0.04 -0.00 -0.04 2.03 1.89 1mx5A1 PRO 1429 HD2 -0.10 -0.08 -0.81 -0.04 3.68 2.66 1mx5A1 PRO 1429 HD3 -0.13 0.15 -0.01 -0.04 3.65 3.61 1mx5A1 SER 1430 H -0.04 0.63 -0.40 -0.55 8.46 8.10 1mx5A1 SER 1430 HA -0.08 -0.02 0.40 -0.75 4.49 4.03 1mx5A1 SER 1430 HB2 -0.06 0.15 0.06 -0.04 3.95 4.06 1mx5A1 SER 1430 HB3 -0.13 -0.05 -0.12 -0.04 3.93 3.59 1mx5A1 VAL 1431 H -0.06 0.50 -0.00 -0.55 8.24 8.13 1mx5A1 VAL 1431 HA -0.20 0.04 0.37 -0.75 4.13 3.59 1mx5A1 VAL 1431 HB -0.00 0.03 0.11 -0.04 2.12 2.22 1mx5A1 VAL 1431 HG13 0.06 0.00 -0.18 -0.04 0.97 0.81 1mx5A1 VAL 1431 HG23 -0.09 0.03 -0.10 -0.04 0.95 0.75 1mx5A1 ILE 1432 H -0.01 0.62 -0.16 -0.55 8.25 8.15 1mx5A1 ILE 1432 HA 0.04 0.02 0.38 -0.75 4.18 3.86 1mx5A1 ILE 1432 HB -0.00 0.06 0.08 -0.04 1.89 1.99 1mx5A1 ILE 1432 HG12 0.05 -0.04 0.00 -0.04 1.49 1.47 1mx5A1 ILE 1432 HG13 0.04 0.16 0.05 -0.04 1.21 1.42 1mx5A1 ILE 1432 HG23 0.02 -0.00 -0.16 -0.04 0.93 0.75 1mx5A1 ILE 1432 HD13 0.06 -0.01 -0.07 -0.04 0.88 0.81 1mx5A1 VAL 1433 H -0.04 0.49 -0.16 -0.55 8.24 7.98 1mx5A1 VAL 1433 HA 0.03 0.03 0.35 -0.75 4.13 3.79 1mx5A1 VAL 1433 HB -0.08 0.08 0.14 -0.04 2.12 2.23 1mx5A1 VAL 1433 HG13 0.07 -0.00 -0.11 -0.04 0.97 0.88 1mx5A1 VAL 1433 HG23 -0.01 0.03 0.05 -0.04 0.95 0.98 1mx5A1 ALA 1434 H -0.14 0.59 -0.27 -0.55 8.40 8.04 1mx5A1 ALA 1434 HA -0.20 0.01 0.36 -0.75 4.34 3.75 1mx5A1 ALA 1434 HB3 -0.51 0.02 0.10 -0.04 1.41 0.98 1mx5A1 ARG 1435 H 0.02 0.62 -0.10 -0.55 8.46 8.45 1mx5A1 ARG 1435 HA 0.32 0.02 0.46 -0.75 4.34 4.39 1mx5A1 ARG 1435 HB2 0.09 0.09 0.21 -0.04 1.90 2.26 1mx5A1 ARG 1435 HB3 0.12 -0.06 0.00 -0.04 1.80 1.82 1mx5A1 ARG 1435 HG2 0.30 -0.04 0.01 -0.04 1.67 1.91 1mx5A1 ARG 1435 HG3 0.21 0.18 0.04 -0.04 1.67 2.07 1mx5A1 ARG 1435 HD2 0.09 -0.04 -0.10 -0.04 3.22 3.13 1mx5A1 ARG 1435 HD3 0.10 -0.01 -0.03 -0.04 3.22 3.23 1mx5A1 ASN 1436 H 0.07 0.60 0.01 -0.55 8.53 8.67 1mx5A1 ASN 1436 HA 0.06 -0.03 0.36 -0.75 4.76 4.40 1mx5A1 ASN 1436 HB2 0.08 0.01 0.13 -0.04 2.88 3.06 1mx5A1 ASN 1436 HB3 0.07 0.20 -0.02 -0.04 2.79 2.99 1mx5A1 ASN 1436 HD21 0.04 -0.11 -0.04 -0.04 7.03 6.87 1mx5A1 ASN 1436 HD22 0.05 0.40 0.05 -0.04 7.74 8.20 1mx5A1 HIS 1437 H 0.19 0.57 -0.15 -0.55 8.41 8.47 1mx5A1 HIS 1437 HA 0.10 0.06 0.41 -0.75 4.63 4.44 1mx5A1 HIS 1437 HB2 0.17 -0.03 0.09 -0.04 3.26 3.46 1mx5A1 HIS 1437 HB3 0.08 0.07 0.11 -0.04 3.20 3.42 1mx5A1 HIS 1437 HD2 0.19 -0.02 -0.00 -0.04 6.97 7.09 1mx5A1 HIS 1437 HE1 0.17 0.26 0.07 -0.04 7.75 8.21 1mx5A1 ARG 1438 H 0.18 0.43 -0.20 -0.55 8.46 8.31 1mx5A1 ARG 1438 HA 0.08 0.11 0.52 -0.75 4.34 4.29 1mx5A1 ARG 1438 HB2 0.27 0.05 0.26 -0.04 1.90 2.44 1mx5A1 ARG 1438 HB3 0.17 0.19 0.35 -0.04 1.80 2.47 1mx5A1 ARG 1438 HG2 0.04 -0.10 -0.20 -0.04 1.67 1.36 1mx5A1 ARG 1438 HG3 0.05 0.01 0.20 -0.04 1.67 1.89 1mx5A1 ARG 1438 HD2 -0.06 -0.33 -0.33 -0.04 3.22 2.46 1mx5A1 ARG 1438 HD3 -0.08 0.16 -0.03 -0.04 3.22 3.22 1mx5A1 ASP 1439 H 0.07 0.70 0.07 -0.55 8.40 8.69 1mx5A1 ASP 1439 HA 0.02 -0.06 0.44 -0.75 4.63 4.28 1mx5A1 ASP 1439 HB2 0.04 0.13 0.07 -0.04 2.71 2.91 1mx5A1 ASP 1439 HB3 0.02 -0.09 0.14 -0.04 2.70 2.73 1mx5A1 ALA 1440 H -0.02 0.33 -0.85 -0.55 8.40 7.31 1mx5A1 ALA 1440 HA -0.01 0.06 0.72 -0.75 4.34 4.36 1mx5A1 ALA 1440 HB3 -0.05 0.05 0.13 -0.04 1.41 1.50 1mx5A1 GLY 1441 H -0.03 0.42 -0.17 -0.55 8.43 8.10 1mx5A1 GLY 1441 HA2 -0.02 -0.07 0.30 -0.51 4.01 3.71 1mx5A1 GLY 1441 HA3 -0.02 0.06 0.58 -0.51 4.01 4.11 1mx5A1 ALA 1442 H -0.13 0.36 0.06 -0.55 8.40 8.14 1mx5A1 ALA 1442 HA -0.01 0.18 0.91 -0.75 4.34 4.67 1mx5A1 ALA 1442 HB3 -0.27 0.03 -0.10 -0.04 1.41 1.03 1mx5A1 PRO 1443 HA 0.05 -0.08 0.46 -0.51 4.44 4.36 1mx5A1 PRO 1443 HB2 0.26 -0.00 0.18 -0.04 2.28 2.68 1mx5A1 PRO 1443 HB3 0.23 0.02 0.13 -0.04 2.02 2.36 1mx5A1 PRO 1443 HG2 0.10 0.11 0.13 -0.04 2.03 2.32 1mx5A1 PRO 1443 HG3 0.08 -0.02 0.10 -0.04 2.03 2.15 1mx5A1 PRO 1443 HD2 0.12 0.10 0.05 -0.04 3.68 3.91 1mx5A1 PRO 1443 HD3 0.05 0.18 0.20 -0.04 3.65 4.04 1mx5A1 THR 1444 H -0.09 0.07 0.31 -0.55 8.28 8.02 1mx5A1 THR 1444 HA 0.15 0.39 1.14 -0.75 4.39 5.32 1mx5A1 THR 1444 HB 0.14 -0.02 0.21 -0.04 4.32 4.61 1mx5A1 THR 1444 HG23 -0.04 0.03 0.09 -0.04 1.22 1.27 1mx5A1 TYR 1445 H -0.01 0.63 0.51 -0.55 8.29 8.87 1mx5A1 TYR 1445 HA 0.09 0.10 1.01 -0.75 4.56 5.01 1mx5A1 TYR 1445 HB2 -0.57 -0.00 0.02 -0.04 3.06 2.46 1mx5A1 TYR 1445 HB3 -0.62 -0.01 0.00 -0.04 2.98 2.32 1mx5A1 TYR 1445 HD2 -0.40 0.07 -0.21 -0.04 7.15 6.57 1mx5A1 TYR 1445 HE2 -0.02 0.12 -0.15 -0.04 6.85 6.77 1mx5A1 MET 1446 H 0.58 0.27 0.28 -0.55 8.47 9.05 1mx5A1 MET 1446 HA 0.03 0.53 1.08 -0.75 4.52 5.41 1mx5A1 MET 1446 HB2 0.15 0.00 0.04 -0.04 2.15 2.30 1mx5A1 MET 1446 HB3 -0.09 -0.10 0.12 -0.04 2.03 1.92 1mx5A1 MET 1446 HG2 -0.34 0.18 0.08 -0.04 2.63 2.51 1mx5A1 MET 1446 HG3 -0.59 -0.01 -0.24 -0.04 2.56 1.68 1mx5A1 MET 1446 HE3 -0.28 0.03 -0.21 -0.04 2.10 1.60 1mx5A1 TYR 1447 H -0.15 0.37 0.40 -0.55 8.29 8.36 1mx5A1 TYR 1447 HA 0.06 0.09 0.67 -0.75 4.56 4.62 1mx5A1 TYR 1447 HB2 -0.17 0.10 0.10 -0.04 3.06 3.05 1mx5A1 TYR 1447 HB3 -0.06 0.11 -0.23 -0.04 2.98 2.77 1mx5A1 TYR 1447 HD2 0.30 0.04 -0.45 -0.04 7.15 7.00 1mx5A1 TYR 1447 HE2 0.16 0.01 -0.21 -0.04 6.85 6.76 1mx5A1 GLU 1448 H 0.29 0.55 0.26 -0.55 8.60 9.15 1mx5A1 GLU 1448 HA 0.21 0.25 0.99 -0.75 4.29 4.98 1mx5A1 GLU 1448 HB2 0.20 -0.01 -0.13 -0.04 2.09 2.11 1mx5A1 GLU 1448 HB3 0.29 -0.02 0.11 -0.04 1.99 2.32 1mx5A1 GLU 1448 HG2 0.16 -0.02 -0.31 -0.04 2.34 2.12 1mx5A1 GLU 1448 HG3 0.11 0.02 -0.17 -0.04 2.34 2.26 1mx5A1 PHE 1449 H 0.50 0.70 0.37 -0.55 8.34 9.35 1mx5A1 PHE 1449 HA 0.13 0.27 0.84 -0.75 4.62 5.10 1mx5A1 PHE 1449 HB2 0.27 0.05 0.03 -0.04 3.15 3.45 1mx5A1 PHE 1449 HB3 0.20 -0.16 0.14 -0.04 3.06 3.20 1mx5A1 PHE 1449 HD2 0.04 -0.07 -0.14 -0.04 7.28 7.07 1mx5A1 PHE 1449 HE2 0.03 0.09 -0.25 -0.04 7.38 7.21 1mx5A1 PHE 1449 HZ -0.03 0.02 -0.16 -0.04 7.32 7.11 1mx5A1 GLN 1450 H -0.36 0.91 0.32 -0.55 8.47 8.80 1mx5A1 GLN 1450 HA -0.01 -0.01 0.85 -0.75 4.36 4.44 1mx5A1 GLN 1450 HB2 0.02 0.02 -0.16 -0.04 2.15 1.98 1mx5A1 GLN 1450 HB3 -0.05 0.05 0.13 -0.04 2.02 2.11 1mx5A1 GLN 1450 HG2 -0.02 -0.05 -0.18 -0.04 2.40 2.10 1mx5A1 GLN 1450 HG3 0.02 0.03 -0.05 -0.04 2.39 2.35 1mx5A1 GLN 1450 HE21 0.02 0.03 -0.03 -0.04 6.97 6.94 1mx5A1 GLN 1450 HE22 0.00 0.02 -0.04 -0.04 7.69 7.64 1mx5A1 TYR 1451 H -0.01 0.10 -0.01 -0.55 8.29 7.81 1mx5A1 TYR 1451 HA -0.12 0.06 0.46 -0.75 4.56 4.21 1mx5A1 TYR 1451 HB2 -0.46 0.14 -0.16 -0.04 3.06 2.54 1mx5A1 TYR 1451 HB3 -0.36 -0.02 -0.15 -0.04 2.98 2.41 1mx5A1 TYR 1451 HD2 -0.01 -0.09 -0.23 -0.04 7.15 6.78 1mx5A1 TYR 1451 HE2 -0.03 -0.05 -0.09 -0.04 6.85 6.64 1mx5A1 ARG 1452 H -0.52 0.21 0.11 -0.55 8.46 7.71 1mx5A1 ARG 1452 HA -0.00 0.05 0.83 -0.75 4.34 4.46 1mx5A1 ARG 1452 HB2 -0.13 0.03 0.14 -0.04 1.90 1.90 1mx5A1 ARG 1452 HB3 -0.27 -0.04 0.18 -0.04 1.80 1.63 1mx5A1 ARG 1452 HG2 -0.14 0.09 -0.20 -0.04 1.67 1.37 1mx5A1 ARG 1452 HG3 -0.07 -0.02 0.08 -0.04 1.67 1.61 1mx5A1 ARG 1452 HD2 -0.11 0.15 -0.00 -0.04 3.22 3.22 1mx5A1 ARG 1452 HD3 -0.14 -0.09 0.02 -0.04 3.22 2.97 1mx5A1 PRO 1453 HA 0.19 0.03 0.48 -0.51 4.44 4.63 1mx5A1 PRO 1453 HB2 0.00 -0.05 -0.02 -0.04 2.28 2.18 1mx5A1 PRO 1453 HB3 0.33 0.09 0.07 -0.04 2.02 2.47 1mx5A1 PRO 1453 HG2 0.01 0.03 0.01 -0.04 2.03 2.03 1mx5A1 PRO 1453 HG3 0.28 0.07 0.07 -0.04 2.03 2.41 1mx5A1 PRO 1453 HD2 0.12 0.02 0.32 -0.04 3.68 4.10 1mx5A1 PRO 1453 HD3 0.32 0.25 0.27 -0.04 3.65 4.45 1mx5A1 SER 1454 H -0.33 0.11 0.14 -0.55 8.46 7.83 1mx5A1 SER 1454 HA -0.27 0.14 0.48 -0.75 4.49 4.09 1mx5A1 SER 1454 HB2 -0.37 0.08 0.06 -0.04 3.95 3.68 1mx5A1 SER 1454 HB3 -0.32 -0.06 0.10 -0.04 3.93 3.61 1mx5A1 PHE 1455 H -0.45 -0.06 -0.40 -0.55 8.34 6.87 1mx5A1 PHE 1455 HA -0.19 0.23 0.67 -0.75 4.62 4.57 1mx5A1 PHE 1455 HB2 -1.09 0.01 -0.01 -0.04 3.15 2.02 1mx5A1 PHE 1455 HB3 -0.29 0.12 0.08 -0.04 3.06 2.92 1mx5A1 PHE 1455 HD2 -0.37 0.03 -0.09 -0.04 7.28 6.81 1mx5A1 PHE 1455 HE2 -0.06 0.02 -0.21 -0.04 7.38 7.09 1mx5A1 PHE 1455 HZ -0.09 -0.03 -0.24 -0.04 7.32 6.93 1mx5A1 SER 1456 H -0.16 0.17 -0.65 -0.55 8.46 7.28 1mx5A1 SER 1456 HA -0.00 0.03 0.40 -0.75 4.49 4.16 1mx5A1 SER 1456 HB2 -0.14 0.09 -0.02 -0.04 3.95 3.84 1mx5A1 SER 1456 HB3 -0.14 -0.14 0.13 -0.04 3.93 3.73 1mx5A1 SER 1457 H -0.14 -0.01 0.13 -0.55 8.46 7.89 1mx5A1 SER 1457 HA -0.00 0.22 0.56 -0.75 4.49 4.51 1mx5A1 SER 1457 HB2 0.22 0.13 0.10 -0.04 3.95 4.36 1mx5A1 SER 1457 HB3 -0.51 -0.07 0.09 -0.04 3.93 3.39 1mx5A1 ASP 1458 H -0.04 0.15 0.15 -0.55 8.40 8.11 1mx5A1 ASP 1458 HA -0.11 0.20 0.49 -0.75 4.63 4.45 1mx5A1 ASP 1458 HB2 -0.02 -0.04 0.07 -0.04 2.71 2.67 1mx5A1 ASP 1458 HB3 -0.05 0.01 0.04 -0.04 2.70 2.66 1mx5A1 MET 1459 H -0.09 -0.01 -0.11 -0.55 8.47 7.72 1mx5A1 MET 1459 HA -0.07 0.16 0.47 -0.75 4.52 4.33 1mx5A1 MET 1459 HB2 0.28 -0.02 -0.04 -0.04 2.15 2.33 1mx5A1 MET 1459 HB3 0.17 0.03 0.05 -0.04 2.03 2.25 1mx5A1 MET 1459 HG2 0.06 0.05 -0.04 -0.04 2.63 2.65 1mx5A1 MET 1459 HG3 0.06 -0.11 0.01 -0.04 2.56 2.48 1mx5A1 MET 1459 HE3 0.23 -0.00 -0.01 -0.04 2.10 2.28 1mx5A1 LYS 1460 H -0.67 0.06 -0.58 -0.55 8.42 6.68 1mx5A1 LYS 1460 HA -1.88 0.08 0.47 -0.75 4.32 2.23 1mx5A1 LYS 1460 HB2 -2.34 -0.12 0.03 -0.04 1.87 -0.60 1mx5A1 LYS 1460 HB3 -0.72 0.18 0.06 -0.04 1.79 1.27 1mx5A1 LYS 1460 HG2 -0.41 0.29 -0.27 -0.04 1.46 1.02 1mx5A1 LYS 1460 HG3 -0.58 -0.13 -0.04 -0.04 1.46 0.68 1mx5A1 LYS 1460 HD2 -0.09 -0.09 0.02 -0.04 1.69 1.50 1mx5A1 LYS 1460 HD3 -0.22 0.07 0.02 -0.04 1.68 1.50 1mx5A1 LYS 1460 HE2 -0.05 0.23 -0.02 -0.04 2.99 3.12 1mx5A1 LYS 1460 HE3 0.13 -0.19 -0.05 -0.04 2.99 2.84 1mx5A1 PRO 1461 HA -0.14 0.06 0.39 -0.51 4.44 4.24 1mx5A1 PRO 1461 HB2 -0.04 -0.15 0.01 -0.04 2.28 2.06 1mx5A1 PRO 1461 HB3 -0.04 0.09 0.12 -0.04 2.02 2.16 1mx5A1 PRO 1461 HG2 -0.05 -0.08 0.04 -0.04 2.03 1.90 1mx5A1 PRO 1461 HG3 0.05 0.10 0.08 -0.04 2.03 2.21 1mx5A1 PRO 1461 HD2 -0.72 -0.02 0.23 -0.04 3.68 3.12 1mx5A1 PRO 1461 HD3 -0.18 0.27 0.24 -0.04 3.65 3.95 1mx5A1 LYS 1462 H -0.09 0.14 0.17 -0.55 8.42 8.07 1mx5A1 LYS 1462 HA -0.12 0.21 0.43 -0.75 4.32 4.09 1mx5A1 LYS 1462 HB2 -0.07 -0.05 0.06 -0.04 1.87 1.77 1mx5A1 LYS 1462 HB3 -0.08 0.01 0.09 -0.04 1.79 1.76 1mx5A1 LYS 1462 HG2 -0.11 0.10 0.03 -0.04 1.46 1.45 1mx5A1 LYS 1462 HG3 -0.09 -0.01 0.09 -0.04 1.46 1.41 1mx5A1 LYS 1462 HD2 -0.06 -0.04 0.02 -0.04 1.69 1.57 1mx5A1 LYS 1462 HD3 -0.07 -0.01 0.02 -0.04 1.68 1.57 1mx5A1 LYS 1462 HE2 -0.08 0.05 0.01 -0.04 2.99 2.93 1mx5A1 LYS 1462 HE3 -0.07 0.01 0.01 -0.04 2.99 2.91 1mx5A1 THR 1463 H -0.05 0.03 -0.32 -0.55 8.28 7.39 1mx5A1 THR 1463 HA -0.03 0.15 0.48 -0.75 4.39 4.23 1mx5A1 THR 1463 HB 0.01 -0.00 0.06 -0.04 4.32 4.35 1mx5A1 THR 1463 HG23 -0.01 -0.00 -0.02 -0.04 1.22 1.14 1mx5A1 VAL 1464 H -0.04 0.35 -0.49 -0.55 8.24 7.51 1mx5A1 VAL 1464 HA 0.04 0.06 0.55 -0.75 4.13 4.03 1mx5A1 VAL 1464 HB -0.00 0.14 0.02 -0.04 2.12 2.24 1mx5A1 VAL 1464 HG13 0.14 -0.07 -0.22 -0.04 0.97 0.78 1mx5A1 VAL 1464 HG23 0.07 -0.00 -0.12 -0.04 0.95 0.86 1mx5A1 ILE 1465 H 0.04 0.26 0.09 -0.55 8.25 8.10 1mx5A1 ILE 1465 HA 0.00 0.16 0.78 -0.75 4.18 4.37 1mx5A1 ILE 1465 HB 0.00 0.04 0.05 -0.04 1.89 1.94 1mx5A1 ILE 1465 HG12 -0.10 0.03 -0.16 -0.04 1.49 1.22 1mx5A1 ILE 1465 HG13 -0.04 0.09 -0.57 -0.04 1.21 0.66 1mx5A1 ILE 1465 HG23 -0.05 -0.06 -0.26 -0.04 0.93 0.51 1mx5A1 ILE 1465 HD13 -0.06 0.00 -0.07 -0.04 0.88 0.71 1mx5A1 GLY 1466 H 0.12 0.33 -0.05 -0.55 8.43 8.29 1mx5A1 GLY 1466 HA2 0.28 0.11 0.36 -0.51 4.01 4.26 1mx5A1 GLY 1466 HA3 0.15 0.09 0.79 -0.51 4.01 4.53 1mx5A1 ASP 1467 H 0.19 0.12 -0.04 -0.55 8.40 8.12 1mx5A1 ASP 1467 HA 0.18 0.36 0.42 -0.75 4.63 4.83 1mx5A1 ASP 1467 HB2 0.21 0.06 -0.03 -0.04 2.71 2.91 1mx5A1 ASP 1467 HB3 0.27 0.10 -0.03 -0.04 2.70 2.99 1mx5A1 HIS 1468 H 0.22 0.11 0.15 -0.55 8.41 8.35 1mx5A1 HIS 1468 HA 0.00 -0.03 0.48 -0.75 4.63 4.33 1mx5A1 HIS 1468 HB2 -0.05 0.40 0.35 -0.04 3.26 3.92 1mx5A1 HIS 1468 HB3 0.08 -0.10 0.22 -0.04 3.20 3.35 1mx5A1 HIS 1468 HD2 0.19 -0.00 -0.03 -0.04 6.97 7.08 1mx5A1 HIS 1468 HE1 -0.14 0.32 0.25 -0.04 7.75 8.14 1mx5A1 GLY 1469 H -0.21 0.08 0.21 -0.55 8.43 7.96 1mx5A1 GLY 1469 HA2 -0.42 -0.01 0.34 -0.51 4.01 3.42 1mx5A1 GLY 1469 HA3 -0.28 0.26 0.57 -0.51 4.01 4.04 1mx5A1 ASP 1470 H 0.13 0.54 -0.21 -0.55 8.40 8.32 1mx5A1 ASP 1470 HA 0.38 0.18 0.36 -0.75 4.63 4.79 1mx5A1 ASP 1470 HB2 0.36 -0.03 0.09 -0.04 2.71 3.09 1mx5A1 ASP 1470 HB3 0.47 0.15 0.13 -0.04 2.70 3.40 1mx5A1 GLU 1471 H -0.17 0.03 -0.29 -0.55 8.60 7.63 1mx5A1 GLU 1471 HA -1.25 0.13 0.44 -0.75 4.29 2.86 1mx5A1 GLU 1471 HB2 -1.13 0.08 -0.00 -0.04 2.09 0.99 1mx5A1 GLU 1471 HB3 -0.77 -0.05 -0.02 -0.04 1.99 1.11 1mx5A1 GLU 1471 HG2 -0.19 0.08 -0.46 -0.04 2.34 1.73 1mx5A1 GLU 1471 HG3 0.03 0.05 -0.16 -0.04 2.34 2.22 1mx5A1 LEU 1472 H -0.30 0.35 -0.43 -0.55 8.37 7.45 1mx5A1 LEU 1472 HA -0.22 0.02 0.28 -0.75 4.35 3.67 1mx5A1 LEU 1472 HB2 -0.84 0.20 0.12 -0.04 1.64 1.08 1mx5A1 LEU 1472 HB3 -0.53 0.10 -0.03 -0.04 1.64 1.14 1mx5A1 LEU 1472 HG -0.44 -0.18 0.08 -0.04 1.64 1.05 1mx5A1 LEU 1472 HD13 -1.14 0.03 0.03 -0.04 0.93 -0.18 1mx5A1 LEU 1472 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 1mx5A1 PHE 1473 H -0.27 0.24 -0.28 -0.55 8.34 7.47 1mx5A1 PHE 1473 HA -0.18 0.13 0.33 -0.75 4.62 4.14 1mx5A1 PHE 1473 HB2 0.08 0.02 -0.00 -0.04 3.15 3.21 1mx5A1 PHE 1473 HB3 -0.16 -0.05 0.00 -0.04 3.06 2.81 1mx5A1 PHE 1473 HD2 -0.21 -0.00 0.02 -0.04 7.28 7.05 1mx5A1 PHE 1473 HE2 -0.01 0.13 -0.10 -0.04 7.38 7.36 1mx5A1 PHE 1473 HZ 0.11 0.36 0.00 -0.04 7.32 7.75 1mx5A1 SER 1474 H -0.10 0.21 -0.41 -0.55 8.46 7.62 1mx5A1 SER 1474 HA -0.04 0.06 0.59 -0.75 4.49 4.35 1mx5A1 SER 1474 HB2 -0.31 0.07 0.05 -0.04 3.95 3.72 1mx5A1 SER 1474 HB3 -0.14 0.04 -0.11 -0.04 3.93 3.68 1mx5A1 VAL 1475 H -0.37 0.50 -0.05 -0.55 8.24 7.78 1mx5A1 VAL 1475 HA -0.69 0.06 0.27 -0.75 4.13 3.02 1mx5A1 VAL 1475 HB -0.30 0.02 0.06 -0.04 2.12 1.86 1mx5A1 VAL 1475 HG13 -0.53 0.01 -0.24 -0.04 0.97 0.17 1mx5A1 VAL 1475 HG23 -0.81 0.02 -0.11 -0.04 0.95 0.01 1mx5A1 PHE 1476 H -0.09 0.61 -0.12 -0.55 8.34 8.19 1mx5A1 PHE 1476 HA -0.20 0.20 0.74 -0.75 4.62 4.61 1mx5A1 PHE 1476 HB2 -0.32 0.07 0.05 -0.04 3.15 2.91 1mx5A1 PHE 1476 HB3 -0.24 0.04 0.16 -0.04 3.06 2.99 1mx5A1 PHE 1476 HD2 -0.40 0.09 -0.10 -0.04 7.28 6.83 1mx5A1 PHE 1476 HE2 -1.43 -0.03 -0.19 -0.04 7.38 5.68 1mx5A1 PHE 1476 HZ -1.46 -0.00 -0.15 -0.04 7.32 5.66 1mx5A1 GLY 1477 H -0.11 0.39 -0.77 -0.55 8.43 7.39 1mx5A1 GLY 1477 HA2 0.13 0.05 0.25 -0.51 4.01 3.92 1mx5A1 GLY 1477 HA3 0.08 -0.03 0.23 -0.51 4.01 3.78 1mx5A1 ALA 1478 H -0.03 0.55 -0.08 -0.55 8.40 8.30 1mx5A1 ALA 1478 HA -0.12 0.23 0.45 -0.75 4.34 4.15 1mx5A1 ALA 1478 HB3 -0.38 -0.03 0.10 -0.04 1.41 1.06 1mx5A1 PRO 1479 HA 0.13 0.03 0.38 -0.51 4.44 4.47 1mx5A1 PRO 1479 HB2 -0.89 0.09 -0.08 -0.04 2.28 1.36 1mx5A1 PRO 1479 HB3 -0.25 -0.08 -0.08 -0.04 2.02 1.57 1mx5A1 PRO 1479 HG2 -0.07 0.14 -0.07 -0.04 2.03 1.99 1mx5A1 PRO 1479 HG3 0.22 -0.10 -0.10 -0.04 2.03 2.01 1mx5A1 PRO 1479 HD2 -0.05 0.06 -0.13 -0.04 3.68 3.53 1mx5A1 PRO 1479 HD3 0.01 0.16 0.06 -0.04 3.65 3.84 1mx5A1 PHE 1480 H -0.01 0.49 -0.43 -0.55 8.34 7.84 1mx5A1 PHE 1480 HA 0.08 0.14 0.76 -0.75 4.62 4.84 1mx5A1 PHE 1480 HB2 0.02 0.07 0.06 -0.04 3.15 3.26 1mx5A1 PHE 1480 HB3 0.17 -0.02 0.16 -0.04 3.06 3.33 1mx5A1 PHE 1480 HD2 0.01 0.09 -0.01 -0.04 7.28 7.33 1mx5A1 PHE 1480 HE2 -0.03 -0.03 -0.09 -0.04 7.38 7.18 1mx5A1 PHE 1480 HZ -0.05 0.04 -0.05 -0.04 7.32 7.23 1mx5A1 LEU 1481 H 0.04 0.30 -0.15 -0.55 8.37 8.02 1mx5A1 LEU 1481 HA 0.08 0.11 0.87 -0.75 4.35 4.66 1mx5A1 LEU 1481 HB2 -0.01 0.28 0.20 -0.04 1.64 2.07 1mx5A1 LEU 1481 HB3 0.02 -0.19 0.13 -0.04 1.64 1.56 1mx5A1 LEU 1481 HG 0.10 0.05 -0.30 -0.04 1.64 1.45 1mx5A1 LEU 1481 HD13 -0.01 -0.03 -0.08 -0.04 0.93 0.77 1mx5A1 LEU 1481 HD23 0.08 0.02 0.02 -0.04 0.89 0.96 1mx5A1 LYS 1482 H -0.00 0.55 0.27 -0.55 8.42 8.68 1mx5A1 LYS 1482 HA 0.05 0.06 0.83 -0.75 4.32 4.51 1mx5A1 LYS 1482 HB2 0.04 -0.01 -0.04 -0.04 1.87 1.82 1mx5A1 LYS 1482 HB3 0.18 0.01 0.02 -0.04 1.79 1.96 1mx5A1 LYS 1482 HG2 -0.02 -0.08 -0.49 -0.04 1.46 0.83 1mx5A1 LYS 1482 HG3 -0.10 0.13 -0.26 -0.04 1.46 1.18 1mx5A1 LYS 1482 HD2 -0.14 0.06 -0.51 -0.04 1.69 1.07 1mx5A1 LYS 1482 HD3 -0.70 -0.12 -0.15 -0.04 1.68 0.67 1mx5A1 LYS 1482 HE2 0.21 -0.07 -0.08 -0.04 2.99 3.01 1mx5A1 LYS 1482 HE3 0.03 0.05 -0.16 -0.04 2.99 2.87 1mx5A1 GLU 1483 H 0.09 0.12 0.15 -0.55 8.60 8.41 1mx5A1 GLU 1483 HA 0.05 0.20 0.75 -0.75 4.29 4.54 1mx5A1 GLU 1483 HB2 0.03 0.01 0.07 -0.04 2.09 2.16 1mx5A1 GLU 1483 HB3 0.02 -0.04 0.08 -0.04 1.99 2.00 1mx5A1 GLU 1483 HG2 0.03 0.03 -0.06 -0.04 2.34 2.31 1mx5A1 GLU 1483 HG3 0.04 -0.00 -0.11 -0.04 2.34 2.23 1mx5A1 GLY 1484 H -0.01 0.18 0.10 -0.55 8.43 8.15 1mx5A1 GLY 1484 HA2 -0.06 -0.01 0.31 -0.51 4.01 3.74 1mx5A1 GLY 1484 HA3 -0.11 0.22 0.70 -0.51 4.01 4.31 1mx5A1 ALA 1485 H -0.03 0.23 -0.38 -0.55 8.40 7.67 1mx5A1 ALA 1485 HA -0.20 -0.11 0.34 -0.75 4.34 3.62 1mx5A1 ALA 1485 HB3 -0.00 0.04 0.03 -0.04 1.41 1.44 1mx5A1 SER 1486 H -0.09 -0.00 0.26 -0.55 8.46 8.08 1mx5A1 SER 1486 HA -0.05 0.22 0.62 -0.75 4.49 4.53 1mx5A1 SER 1486 HB2 -0.03 -0.00 0.20 -0.04 3.95 4.08 1mx5A1 SER 1486 HB3 -0.06 0.17 0.19 -0.04 3.93 4.20 1mx5A1 GLU 1487 H -0.02 0.22 0.18 -0.55 8.60 8.43 1mx5A1 GLU 1487 HA -0.02 0.15 0.36 -0.75 4.29 4.03 1mx5A1 GLU 1487 HB2 -0.01 0.06 0.16 -0.04 2.09 2.26 1mx5A1 GLU 1487 HB3 -0.00 -0.02 0.09 -0.04 1.99 2.02 1mx5A1 GLU 1487 HG2 0.01 0.03 0.02 -0.04 2.34 2.35 1mx5A1 GLU 1487 HG3 0.01 -0.01 -0.03 -0.04 2.34 2.26 1mx5A1 GLU 1488 H -0.01 0.03 -0.30 -0.55 8.60 7.78 1mx5A1 GLU 1488 HA -0.00 0.15 0.43 -0.75 4.29 4.12 1mx5A1 GLU 1488 HB2 0.02 0.03 0.09 -0.04 2.09 2.19 1mx5A1 GLU 1488 HB3 0.05 -0.07 0.06 -0.04 1.99 2.00 1mx5A1 GLU 1488 HG2 0.03 -0.01 -0.16 -0.04 2.34 2.16 1mx5A1 GLU 1488 HG3 0.03 0.07 0.05 -0.04 2.34 2.46 1mx5A1 GLU 1489 H -0.00 0.06 -0.14 -0.55 8.60 7.98 1mx5A1 GLU 1489 HA -0.13 0.05 0.39 -0.75 4.29 3.85 1mx5A1 GLU 1489 HB2 0.03 -0.08 0.15 -0.04 2.09 2.15 1mx5A1 GLU 1489 HB3 -0.04 0.11 0.05 -0.04 1.99 2.06 1mx5A1 GLU 1489 HG2 0.09 0.07 -0.04 -0.04 2.34 2.41 1mx5A1 GLU 1489 HG3 0.12 -0.01 0.02 -0.04 2.34 2.44 1mx5A1 ILE 1490 H -0.06 0.45 -0.32 -0.55 8.25 7.77 1mx5A1 ILE 1490 HA -0.28 0.04 0.33 -0.75 4.18 3.52 1mx5A1 ILE 1490 HB -0.04 0.06 0.09 -0.04 1.89 1.96 1mx5A1 ILE 1490 HG12 -0.29 0.03 -0.11 -0.04 1.49 1.08 1mx5A1 ILE 1490 HG13 -0.11 0.11 -0.24 -0.04 1.21 0.93 1mx5A1 ILE 1490 HG23 -0.03 0.01 -0.20 -0.04 0.93 0.67 1mx5A1 ILE 1490 HD13 -0.04 -0.00 -0.12 -0.04 0.88 0.67 1mx5A1 ARG 1491 H -0.01 0.47 -0.10 -0.55 8.46 8.27 1mx5A1 ARG 1491 HA 0.06 0.07 0.44 -0.75 4.34 4.15 1mx5A1 ARG 1491 HB2 -0.00 0.07 0.20 -0.04 1.90 2.13 1mx5A1 ARG 1491 HB3 0.01 -0.00 0.03 -0.04 1.80 1.80 1mx5A1 ARG 1491 HG2 0.04 0.01 0.05 -0.04 1.67 1.73 1mx5A1 ARG 1491 HG3 0.03 0.03 0.09 -0.04 1.67 1.78 1mx5A1 ARG 1491 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.15 1mx5A1 ARG 1491 HD3 0.01 0.00 0.03 -0.04 3.22 3.22 1mx5A1 LEU 1492 H -0.06 0.47 -0.21 -0.55 8.37 8.02 1mx5A1 LEU 1492 HA -0.05 0.04 0.33 -0.75 4.35 3.91 1mx5A1 LEU 1492 HB2 -0.26 0.04 0.05 -0.04 1.64 1.43 1mx5A1 LEU 1492 HB3 -0.20 0.10 0.10 -0.04 1.64 1.60 1mx5A1 LEU 1492 HG -0.07 -0.01 -0.32 -0.04 1.64 1.21 1mx5A1 LEU 1492 HD13 -0.09 0.01 -0.09 -0.04 0.93 0.71 1mx5A1 LEU 1492 HD23 -0.69 -0.03 -0.16 -0.04 0.89 -0.03 1mx5A1 SER 1493 H -0.04 0.48 -0.19 -0.55 8.46 8.17 1mx5A1 SER 1493 HA -0.06 -0.06 0.45 -0.75 4.49 4.07 1mx5A1 SER 1493 HB2 -0.01 -0.07 0.16 -0.04 3.95 3.99 1mx5A1 SER 1493 HB3 0.05 0.15 0.14 -0.04 3.93 4.23 1mx5A1 LYS 1494 H 0.11 0.43 -0.21 -0.55 8.42 8.18 1mx5A1 LYS 1494 HA 0.04 0.03 0.39 -0.75 4.32 4.03 1mx5A1 LYS 1494 HB2 0.09 0.11 0.22 -0.04 1.87 2.25 1mx5A1 LYS 1494 HB3 0.08 -0.01 -0.01 -0.04 1.79 1.81 1mx5A1 LYS 1494 HG2 0.25 -0.00 0.01 -0.04 1.46 1.67 1mx5A1 LYS 1494 HG3 0.39 0.19 -0.02 -0.04 1.46 1.98 1mx5A1 LYS 1494 HD2 0.13 -0.07 -0.03 -0.04 1.69 1.68 1mx5A1 LYS 1494 HD3 0.13 0.03 -0.02 -0.04 1.68 1.78 1mx5A1 LYS 1494 HE2 0.32 0.05 -0.04 -0.04 2.99 3.27 1mx5A1 LYS 1494 HE3 0.33 -0.06 -0.11 -0.04 2.99 3.12 1mx5A1 MET 1495 H 0.01 0.63 -0.11 -0.55 8.47 8.46 1mx5A1 MET 1495 HA -0.08 0.06 0.41 -0.75 4.52 4.15 1mx5A1 MET 1495 HB2 0.01 0.00 0.10 -0.04 2.15 2.22 1mx5A1 MET 1495 HB3 0.05 0.09 0.15 -0.04 2.03 2.28 1mx5A1 MET 1495 HG2 0.18 -0.04 -0.22 -0.04 2.63 2.51 1mx5A1 MET 1495 HG3 -0.08 0.02 0.04 -0.04 2.56 2.51 1mx5A1 MET 1495 HE3 0.12 -0.00 -0.05 -0.04 2.10 2.13 1mx5A1 VAL 1496 H -0.01 0.56 -0.10 -0.55 8.24 8.14 1mx5A1 VAL 1496 HA 0.16 -0.03 0.33 -0.75 4.13 3.84 1mx5A1 VAL 1496 HB -0.24 0.20 -0.03 -0.04 2.12 2.01 1mx5A1 VAL 1496 HG13 -1.04 -0.04 -0.28 -0.04 0.97 -0.43 1mx5A1 VAL 1496 HG23 -0.06 0.04 -0.08 -0.04 0.95 0.81 1mx5A1 MET 1497 H -0.10 0.63 -0.17 -0.55 8.47 8.28 1mx5A1 MET 1497 HA -0.13 -0.01 0.45 -0.75 4.52 4.08 1mx5A1 MET 1497 HB2 -0.09 0.10 0.08 -0.04 2.15 2.20 1mx5A1 MET 1497 HB3 -0.10 -0.03 0.03 -0.04 2.03 1.89 1mx5A1 MET 1497 HG2 -0.26 0.09 0.09 -0.04 2.63 2.50 1mx5A1 MET 1497 HG3 -0.16 0.33 0.13 -0.04 2.56 2.82 1mx5A1 MET 1497 HE3 -0.47 -0.01 -0.17 -0.04 2.10 1.41 1mx5A1 LYS 1498 H -0.02 0.41 -0.28 -0.55 8.42 7.97 1mx5A1 LYS 1498 HA 0.00 0.05 0.34 -0.75 4.32 3.96 1mx5A1 LYS 1498 HB2 -0.20 0.15 0.17 -0.04 1.87 1.95 1mx5A1 LYS 1498 HB3 -0.17 -0.02 -0.07 -0.04 1.79 1.49 1mx5A1 LYS 1498 HG2 -0.03 0.05 0.03 -0.04 1.46 1.47 1mx5A1 LYS 1498 HG3 -0.07 -0.07 -0.05 -0.04 1.46 1.23 1mx5A1 LYS 1498 HD2 -0.06 -0.01 -0.05 -0.04 1.69 1.53 1mx5A1 LYS 1498 HD3 -0.02 0.01 -0.01 -0.04 1.68 1.62 1mx5A1 LYS 1498 HE2 -0.01 -0.05 -0.05 -0.04 2.99 2.84 1mx5A1 LYS 1498 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.90 1mx5A1 PHE 1499 H 0.15 0.43 -0.19 -0.55 8.34 8.17 1mx5A1 PHE 1499 HA 0.17 0.23 0.41 -0.75 4.62 4.68 1mx5A1 PHE 1499 HB2 0.57 0.09 0.12 -0.04 3.15 3.89 1mx5A1 PHE 1499 HB3 0.57 -0.09 -0.10 -0.04 3.06 3.40 1mx5A1 PHE 1499 HD2 0.24 0.00 -0.19 -0.04 7.28 7.30 1mx5A1 PHE 1499 HE2 0.20 -0.06 -0.16 -0.04 7.38 7.31 1mx5A1 PHE 1499 HZ 0.17 0.11 -0.15 -0.04 7.32 7.40 1mx5A1 TRP 1500 H 0.83 0.54 -0.08 -0.55 7.97 8.72 1mx5A1 TRP 1500 HA 0.04 -0.04 0.29 -0.75 4.62 4.16 1mx5A1 TRP 1500 HB2 -0.04 0.12 0.13 -0.04 3.23 3.40 1mx5A1 TRP 1500 HB3 -0.15 0.02 -0.11 -0.04 3.23 2.94 1mx5A1 TRP 1500 HD1 -0.14 0.04 -0.14 -0.04 7.22 6.94 1mx5A1 TRP 1500 HE1 0.29 -0.09 -0.17 -0.04 10.20 10.19 1mx5A1 TRP 1500 HE3 0.20 -0.01 -0.02 -0.04 7.59 7.71 1mx5A1 TRP 1500 HZ2 -0.04 -0.11 -0.17 -0.04 7.44 7.07 1mx5A1 TRP 1500 HZ3 0.16 -0.02 -0.11 -0.04 7.13 7.12 1mx5A1 TRP 1500 HH2 -0.87 -0.10 -0.15 -0.04 7.19 6.02 1mx5A1 ALA 1501 H 0.19 0.77 -0.18 -0.55 8.40 8.63 1mx5A1 ALA 1501 HA 0.04 -0.01 0.35 -0.75 4.34 3.97 1mx5A1 ALA 1501 HB3 0.03 0.02 0.05 -0.04 1.41 1.48 1mx5A1 ASN 1502 H 0.11 0.73 -0.11 -0.55 8.53 8.71 1mx5A1 ASN 1502 HA 0.03 -0.02 0.50 -0.75 4.76 4.52 1mx5A1 ASN 1502 HB2 0.11 0.09 0.22 -0.04 2.88 3.26 1mx5A1 ASN 1502 HB3 0.05 0.06 -0.03 -0.04 2.79 2.82 1mx5A1 ASN 1502 HD21 -0.04 -0.22 -0.16 -0.04 7.03 6.58 1mx5A1 ASN 1502 HD22 0.03 0.45 -0.18 -0.04 7.74 8.00 1mx5A1 PHE 1503 H 0.16 0.64 -0.24 -0.55 8.34 8.35 1mx5A1 PHE 1503 HA -0.19 -0.17 -0.03 -0.75 4.62 3.48 1mx5A1 PHE 1503 HB2 -0.30 0.02 -0.07 -0.04 3.15 2.75 1mx5A1 PHE 1503 HB3 -0.22 0.16 0.01 -0.04 3.06 2.96 1mx5A1 PHE 1503 HD2 -0.38 -0.06 -0.38 -0.04 7.28 6.42 1mx5A1 PHE 1503 HE2 -0.11 0.16 -0.27 -0.04 7.38 7.12 1mx5A1 PHE 1503 HZ 0.03 -0.06 -0.68 -0.04 7.32 6.57 1mx5A1 ALA 1504 H 0.04 0.62 -0.17 -0.55 8.40 8.34 1mx5A1 ALA 1504 HA -0.14 -0.04 0.22 -0.75 4.34 3.63 1mx5A1 ALA 1504 HB3 -0.04 0.02 -0.04 -0.04 1.41 1.31 1mx5A1 ARG 1505 H -0.03 0.45 -0.40 -0.55 8.46 7.92 1mx5A1 ARG 1505 HA -0.04 0.01 0.49 -0.75 4.34 4.05 1mx5A1 ARG 1505 HB2 -0.01 0.07 0.28 -0.04 1.90 2.20 1mx5A1 ARG 1505 HB3 -0.02 -0.11 0.04 -0.04 1.80 1.67 1mx5A1 ARG 1505 HG2 -0.01 -0.06 0.08 -0.04 1.67 1.64 1mx5A1 ARG 1505 HG3 -0.00 0.14 0.08 -0.04 1.67 1.84 1mx5A1 ARG 1505 HD2 0.00 -0.10 0.03 -0.04 3.22 3.11 1mx5A1 ARG 1505 HD3 0.01 0.01 0.04 -0.04 3.22 3.24 1mx5A1 ASN 1506 H -0.07 0.90 0.18 -0.55 8.53 8.99 1mx5A1 ASN 1506 HA -0.07 0.24 1.03 -0.75 4.76 5.20 1mx5A1 ASN 1506 HB2 -0.03 0.06 0.06 -0.04 2.88 2.94 1mx5A1 ASN 1506 HB3 -0.02 -0.10 0.12 -0.04 2.79 2.75 1mx5A1 ASN 1506 HD21 0.01 -0.10 0.04 -0.04 7.03 6.94 1mx5A1 ASN 1506 HD22 0.01 0.16 0.05 -0.04 7.74 7.92 1mx5A1 GLY 1507 H -0.32 0.77 0.04 -0.55 8.43 8.37 1mx5A1 GLY 1507 HA2 -0.84 0.04 0.31 -0.51 4.01 3.01 1mx5A1 GLY 1507 HA3 -0.22 0.09 0.61 -0.51 4.01 3.98 1mx5A1 ASN 1508 H -0.09 0.25 -0.30 -0.55 8.53 7.84 1mx5A1 ASN 1508 HA -0.24 0.09 0.55 -0.75 4.76 4.41 1mx5A1 ASN 1508 HB2 0.06 0.10 -0.22 -0.04 2.88 2.77 1mx5A1 ASN 1508 HB3 0.01 0.04 -0.06 -0.04 2.79 2.73 1mx5A1 ASN 1508 HD21 0.16 -0.08 -0.02 -0.04 7.03 7.04 1mx5A1 ASN 1508 HD22 0.13 0.05 -0.04 -0.04 7.74 7.84 1mx5A1 PRO 1509 HA 0.05 0.16 0.40 -0.51 4.44 4.54 1mx5A1 PRO 1509 HB2 0.06 -0.04 -0.07 -0.04 2.28 2.19 1mx5A1 PRO 1509 HB3 -0.71 0.02 -0.04 -0.04 2.02 1.25 1mx5A1 PRO 1509 HG2 -0.61 -0.00 -0.00 -0.04 2.03 1.37 1mx5A1 PRO 1509 HG3 -2.26 0.01 -0.06 -0.04 2.03 -0.32 1mx5A1 PRO 1509 HD2 -1.25 0.10 0.10 -0.04 3.68 2.59 1mx5A1 PRO 1509 HD3 -1.39 0.15 -0.03 -0.04 3.65 2.34 1mx5A1 ASN 1510 H -0.04 0.03 -0.25 -0.55 8.53 7.73 1mx5A1 ASN 1510 HA 0.30 0.03 0.31 -0.75 4.76 4.65 1mx5A1 ASN 1510 HB2 0.11 0.01 -0.03 -0.04 2.88 2.94 1mx5A1 ASN 1510 HB3 0.19 -0.02 -0.06 -0.04 2.79 2.86 1mx5A1 ASN 1510 HD21 0.01 0.62 0.15 -0.04 7.03 7.77 1mx5A1 ASN 1510 HD22 0.11 -0.04 0.01 -0.04 7.74 7.78 1mx5A1 GLY 1511 H 0.13 0.30 0.19 -0.55 8.43 8.50 1mx5A1 GLY 1511 HA2 0.05 0.04 0.46 -0.51 4.01 4.05 1mx5A1 GLY 1511 HA3 0.02 0.15 0.29 -0.51 4.01 3.96 1mx5A1 GLU 1512 H 0.03 0.14 0.13 -0.55 8.60 8.35 1mx5A1 GLU 1512 HA 0.05 0.01 0.46 -0.75 4.29 4.06 1mx5A1 GLU 1512 HB2 0.03 -0.03 0.08 -0.04 2.09 2.12 1mx5A1 GLU 1512 HB3 0.03 0.01 0.13 -0.04 1.99 2.12 1mx5A1 GLU 1512 HG2 0.01 0.02 0.10 -0.04 2.34 2.43 1mx5A1 GLU 1512 HG3 0.01 0.04 -0.17 -0.04 2.34 2.18 1mx5A1 GLY 1513 H 0.04 0.09 0.17 -0.55 8.43 8.18 1mx5A1 GLY 1513 HA2 0.02 -0.05 0.32 -0.51 4.01 3.79 1mx5A1 GLY 1513 HA3 0.01 0.12 0.51 -0.51 4.01 4.14 1mx5A1 LEU 1514 H 0.03 0.29 -0.22 -0.55 8.37 7.92 1mx5A1 LEU 1514 HA -0.02 0.17 0.91 -0.75 4.35 4.65 1mx5A1 LEU 1514 HB2 -0.05 0.05 -0.00 -0.04 1.64 1.59 1mx5A1 LEU 1514 HB3 -0.37 0.03 -0.03 -0.04 1.64 1.23 1mx5A1 LEU 1514 HG -0.15 0.04 -0.36 -0.04 1.64 1.13 1mx5A1 LEU 1514 HD13 -0.54 -0.02 -0.17 -0.04 0.93 0.16 1mx5A1 LEU 1514 HD23 -0.34 0.01 -0.03 -0.04 0.89 0.48 1mx5A1 PRO 1515 HA 0.15 -0.04 0.38 -0.51 4.44 4.43 1mx5A1 PRO 1515 HB2 0.24 -0.01 -0.14 -0.04 2.28 2.32 1mx5A1 PRO 1515 HB3 0.11 0.08 0.06 -0.04 2.02 2.24 1mx5A1 PRO 1515 HG2 0.15 0.00 0.06 -0.04 2.03 2.20 1mx5A1 PRO 1515 HG3 0.10 0.02 0.10 -0.04 2.03 2.21 1mx5A1 PRO 1515 HD2 0.26 0.10 0.13 -0.04 3.68 4.13 1mx5A1 PRO 1515 HD3 0.08 0.18 0.21 -0.04 3.65 4.08 1mx5A1 HIS 1516 H 0.24 0.03 0.16 -0.55 8.41 8.30 1mx5A1 HIS 1516 HA 0.24 0.13 0.48 -0.75 4.63 4.73 1mx5A1 HIS 1516 HB2 0.12 0.01 0.10 -0.04 3.26 3.45 1mx5A1 HIS 1516 HB3 0.11 -0.07 0.12 -0.04 3.20 3.32 1mx5A1 HIS 1516 HD2 0.12 -0.05 -0.21 -0.04 6.97 6.79 1mx5A1 HIS 1516 HE1 0.15 0.02 -0.07 -0.04 7.75 7.81 1mx5A1 TRP 1517 H -0.03 0.19 0.10 -0.55 7.97 7.68 1mx5A1 TRP 1517 HA -0.12 0.14 0.73 -0.75 4.62 4.61 1mx5A1 TRP 1517 HB2 -0.24 0.05 -0.11 -0.04 3.23 2.89 1mx5A1 TRP 1517 HB3 -0.11 -0.06 0.08 -0.04 3.23 3.10 1mx5A1 TRP 1517 HD1 0.10 0.35 -0.27 -0.04 7.22 7.35 1mx5A1 TRP 1517 HE1 0.17 -0.09 0.16 -0.04 10.20 10.41 1mx5A1 TRP 1517 HE3 -1.60 0.04 -0.15 -0.04 7.59 5.85 1mx5A1 TRP 1517 HZ2 0.11 -0.07 -0.44 -0.04 7.44 6.99 1mx5A1 TRP 1517 HZ3 -0.30 -0.01 -0.14 -0.04 7.13 6.63 1mx5A1 TRP 1517 HH2 -0.14 -0.06 -0.21 -0.04 7.19 6.73 1mx5A1 PRO 1518 HA 0.21 0.04 0.52 -0.51 4.44 4.70 1mx5A1 PRO 1518 HB2 0.18 0.07 0.03 -0.04 2.28 2.52 1mx5A1 PRO 1518 HB3 0.25 -0.02 0.05 -0.04 2.02 2.26 1mx5A1 PRO 1518 HG2 0.25 0.05 -0.32 -0.04 2.03 1.97 1mx5A1 PRO 1518 HG3 0.12 0.02 0.04 -0.04 2.03 2.16 1mx5A1 PRO 1518 HD2 0.08 0.07 0.05 -0.04 3.68 3.84 1mx5A1 PRO 1518 HD3 0.12 0.16 0.01 -0.04 3.65 3.90 1mx5A1 GLU 1519 H 0.13 0.02 0.19 -0.55 8.60 8.40 1mx5A1 GLU 1519 HA -0.59 0.22 0.66 -0.75 4.29 3.83 1mx5A1 GLU 1519 HB2 -0.09 0.04 0.14 -0.04 2.09 2.14 1mx5A1 GLU 1519 HB3 -0.04 -0.14 0.11 -0.04 1.99 1.89 1mx5A1 GLU 1519 HG2 -0.17 -0.00 -0.12 -0.04 2.34 2.00 1mx5A1 GLU 1519 HG3 -0.63 0.16 0.21 -0.04 2.34 2.04 1mx5A1 TYR 1520 H -0.19 0.87 0.34 -0.55 8.29 8.76 1mx5A1 TYR 1520 HA 0.03 0.08 0.68 -0.75 4.56 4.60 1mx5A1 TYR 1520 HB2 0.01 -0.08 -0.02 -0.04 3.06 2.92 1mx5A1 TYR 1520 HB3 -0.06 0.04 0.07 -0.04 2.98 2.99 1mx5A1 TYR 1520 HD2 0.05 0.14 -0.11 -0.04 7.15 7.19 1mx5A1 TYR 1520 HE2 0.00 -0.06 -0.12 -0.04 6.85 6.63 1mx5A1 ASN 1521 H -0.10 0.23 -0.11 -0.55 8.53 8.00 1mx5A1 ASN 1521 HA -0.07 0.32 0.71 -0.75 4.76 4.98 1mx5A1 ASN 1521 HB2 -0.04 -0.12 0.24 -0.04 2.88 2.92 1mx5A1 ASN 1521 HB3 -0.03 0.11 0.04 -0.04 2.79 2.86 1mx5A1 ASN 1521 HD21 0.02 -0.01 0.06 -0.04 7.03 7.06 1mx5A1 ASN 1521 HD22 0.01 0.07 0.04 -0.04 7.74 7.82 1mx5A1 GLN 1522 H -0.06 0.16 0.15 -0.55 8.47 8.19 1mx5A1 GLN 1522 HA -0.09 0.19 0.43 -0.75 4.36 4.13 1mx5A1 GLN 1522 HB2 -0.03 -0.05 0.13 -0.04 2.15 2.16 1mx5A1 GLN 1522 HB3 -0.03 0.02 0.03 -0.04 2.02 2.01 1mx5A1 GLN 1522 HG2 -0.02 0.01 0.08 -0.04 2.40 2.42 1mx5A1 GLN 1522 HG3 -0.01 0.01 0.04 -0.04 2.39 2.39 1mx5A1 GLN 1522 HE21 -0.00 0.06 -0.04 -0.04 6.97 6.94 1mx5A1 GLN 1522 HE22 -0.01 0.02 -0.04 -0.04 7.69 7.62 1mx5A1 LYS 1523 H -0.06 0.04 -0.14 -0.55 8.42 7.70 1mx5A1 LYS 1523 HA -0.03 0.14 0.48 -0.75 4.32 4.15 1mx5A1 LYS 1523 HB2 -0.01 -0.03 0.04 -0.04 1.87 1.82 1mx5A1 LYS 1523 HB3 0.01 0.02 0.05 -0.04 1.79 1.82 1mx5A1 LYS 1523 HG2 0.00 0.04 0.01 -0.04 1.46 1.47 1mx5A1 LYS 1523 HG3 -0.01 -0.05 0.01 -0.04 1.46 1.37 1mx5A1 LYS 1523 HD2 0.02 0.00 0.02 -0.04 1.69 1.69 1mx5A1 LYS 1523 HD3 0.02 0.01 0.00 -0.04 1.68 1.67 1mx5A1 LYS 1523 HE2 0.01 0.00 -0.00 -0.04 2.99 2.96 1mx5A1 LYS 1523 HE3 0.02 0.01 0.00 -0.04 2.99 2.98 1mx5A1 GLU 1524 H -0.26 0.31 -0.70 -0.55 8.60 7.40 1mx5A1 GLU 1524 HA -0.93 0.17 0.22 -0.75 4.29 2.99 1mx5A1 GLU 1524 HB2 -0.06 0.05 -0.08 -0.04 2.09 1.96 1mx5A1 GLU 1524 HB3 -0.03 -0.16 0.20 -0.04 1.99 1.97 1mx5A1 GLU 1524 HG2 -0.61 0.13 -0.03 -0.04 2.34 1.78 1mx5A1 GLU 1524 HG3 -0.20 0.18 -0.19 -0.04 2.34 2.08 1mx5A1 GLY 1525 H -0.02 0.03 -0.07 -0.55 8.43 7.82 1mx5A1 GLY 1525 HA2 0.16 0.20 0.72 -0.51 4.01 4.58 1mx5A1 GLY 1525 HA3 0.13 -0.01 0.30 -0.51 4.01 3.91 1mx5A1 TYR 1526 H 0.10 0.45 0.28 -0.55 8.29 8.57 1mx5A1 TYR 1526 HA 0.25 0.26 0.64 -0.75 4.56 4.96 1mx5A1 TYR 1526 HB2 0.10 -0.06 -0.28 -0.04 3.06 2.78 1mx5A1 TYR 1526 HB3 0.21 0.07 -0.34 -0.04 2.98 2.88 1mx5A1 TYR 1526 HD2 0.05 0.06 -0.35 -0.04 7.15 6.87 1mx5A1 TYR 1526 HE2 0.04 0.09 -0.31 -0.04 6.85 6.63 1mx5A1 LEU 1527 H -0.13 0.49 0.20 -0.55 8.37 8.39 1mx5A1 LEU 1527 HA -0.46 0.20 1.09 -0.75 4.35 4.43 1mx5A1 LEU 1527 HB2 -1.75 0.04 -0.06 -0.04 1.64 -0.17 1mx5A1 LEU 1527 HB3 -1.87 -0.02 0.10 -0.04 1.64 -0.19 1mx5A1 LEU 1527 HG -0.53 0.02 -0.49 -0.04 1.64 0.60 1mx5A1 LEU 1527 HD13 -0.28 0.02 -0.37 -0.04 0.93 0.26 1mx5A1 LEU 1527 HD23 -1.06 -0.01 -0.22 -0.04 0.89 -0.43 1mx5A1 GLN 1528 H -0.31 0.72 0.27 -0.55 8.47 8.61 1mx5A1 GLN 1528 HA 0.01 0.05 0.81 -0.75 4.36 4.48 1mx5A1 GLN 1528 HB2 -0.12 0.08 0.27 -0.04 2.15 2.33 1mx5A1 GLN 1528 HB3 -0.04 -0.01 0.07 -0.04 2.02 2.00 1mx5A1 GLN 1528 HG2 0.04 -0.06 -0.04 -0.04 2.40 2.29 1mx5A1 GLN 1528 HG3 -0.44 0.01 -0.04 -0.04 2.39 1.89 1mx5A1 GLN 1528 HE21 0.05 -0.01 -0.02 -0.04 6.97 6.95 1mx5A1 GLN 1528 HE22 0.16 -0.04 -0.04 -0.04 7.69 7.72 1mx5A1 ILE 1529 H 0.01 0.44 0.24 -0.55 8.25 8.39 1mx5A1 ILE 1529 HA -0.09 0.15 0.85 -0.75 4.18 4.34 1mx5A1 ILE 1529 HB 0.17 -0.10 0.03 -0.04 1.89 1.94 1mx5A1 ILE 1529 HG12 -0.15 0.08 -0.18 -0.04 1.49 1.19 1mx5A1 ILE 1529 HG13 -0.29 0.02 -0.40 -0.04 1.21 0.50 1mx5A1 ILE 1529 HG23 0.10 -0.00 -0.19 -0.04 0.93 0.79 1mx5A1 ILE 1529 HD13 -0.19 0.00 -0.14 -0.04 0.88 0.51 1mx5A1 GLY 1530 H -0.09 0.38 0.01 -0.55 8.43 8.19 1mx5A1 GLY 1530 HA2 -0.26 0.02 0.26 -0.51 4.01 3.52 1mx5A1 GLY 1530 HA3 -0.11 0.19 0.44 -0.51 4.01 4.02 1mx5A1 ALA 1531 H 0.12 0.20 0.15 -0.55 8.40 8.32 1mx5A1 ALA 1531 HA 0.05 0.05 0.37 -0.75 4.34 4.05 1mx5A1 ALA 1531 HB3 0.08 0.00 0.10 -0.04 1.41 1.55 1mx5A1 ASN 1532 H -0.01 0.05 -0.46 -0.55 8.53 7.56 1mx5A1 ASN 1532 HA -0.00 0.19 0.79 -0.75 4.76 4.98 1mx5A1 ASN 1532 HB2 -0.00 -0.07 -0.05 -0.04 2.88 2.71 1mx5A1 ASN 1532 HB3 -0.02 -0.01 0.12 -0.04 2.79 2.85 1mx5A1 ASN 1532 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.96 1mx5A1 ASN 1532 HD22 -0.00 -0.05 -0.04 -0.04 7.74 7.61 1mx5A1 THR 1533 H -0.00 0.22 0.03 -0.55 8.28 7.98 1mx5A1 THR 1533 HA -0.06 0.38 0.88 -0.75 4.39 4.83 1mx5A1 THR 1533 HB 0.04 -0.00 0.19 -0.04 4.32 4.50 1mx5A1 THR 1533 HG23 -0.00 0.02 -0.20 -0.04 1.22 0.99 1mx5A1 GLN 1534 H -0.10 0.47 0.38 -0.55 8.47 8.67 1mx5A1 GLN 1534 HA -0.03 0.09 0.66 -0.75 4.36 4.32 1mx5A1 GLN 1534 HB2 -0.03 -0.02 0.12 -0.04 2.15 2.19 1mx5A1 GLN 1534 HB3 -0.02 0.02 -0.27 -0.04 2.02 1.71 1mx5A1 GLN 1534 HG2 -0.07 0.01 -0.01 -0.04 2.40 2.30 1mx5A1 GLN 1534 HG3 -0.08 0.16 -0.21 -0.04 2.39 2.21 1mx5A1 GLN 1534 HE21 -0.02 -0.05 -0.05 -0.04 6.97 6.81 1mx5A1 GLN 1534 HE22 -0.03 0.05 -0.05 -0.04 7.69 7.62 1mx5A1 ALA 1535 H -0.04 0.11 0.22 -0.55 8.40 8.14 1mx5A1 ALA 1535 HA -0.24 0.17 0.81 -0.75 4.34 4.33 1mx5A1 ALA 1535 HB3 0.00 0.04 0.18 -0.04 1.41 1.60 1mx5A1 ALA 1536 H -0.37 0.63 0.45 -0.55 8.40 8.56 1mx5A1 ALA 1536 HA -0.13 0.13 0.68 -0.75 4.34 4.26 1mx5A1 ALA 1536 HB3 -0.60 -0.01 -0.01 -0.04 1.41 0.74 1mx5A1 GLN 1537 H 0.08 0.20 0.17 -0.55 8.47 8.37 1mx5A1 GLN 1537 HA 0.26 0.27 0.86 -0.75 4.36 5.00 1mx5A1 GLN 1537 HB2 0.07 -0.08 -0.03 -0.04 2.15 2.06 1mx5A1 GLN 1537 HB3 0.08 0.09 0.01 -0.04 2.02 2.15 1mx5A1 GLN 1537 HG2 0.07 0.09 -0.12 -0.04 2.40 2.40 1mx5A1 GLN 1537 HG3 0.05 0.02 -0.42 -0.04 2.39 1.99 1mx5A1 GLN 1537 HE21 0.03 -0.03 -0.03 -0.04 6.97 6.89 1mx5A1 GLN 1537 HE22 0.04 -0.03 -0.06 -0.04 7.69 7.60 1mx5A1 LYS 1538 H 0.15 0.50 0.21 -0.55 8.42 8.72 1mx5A1 LYS 1538 HA 0.10 0.11 0.37 -0.75 4.32 4.14 1mx5A1 LYS 1538 HB2 0.09 0.06 -0.06 -0.04 1.87 1.92 1mx5A1 LYS 1538 HB3 0.07 -0.13 0.15 -0.04 1.79 1.84 1mx5A1 LYS 1538 HG2 0.04 0.08 0.01 -0.04 1.46 1.55 1mx5A1 LYS 1538 HG3 0.05 0.04 -0.05 -0.04 1.46 1.46 1mx5A1 LYS 1538 HD2 0.04 -0.03 -0.04 -0.04 1.69 1.62 1mx5A1 LYS 1538 HD3 0.04 -0.06 -0.01 -0.04 1.68 1.61 1mx5A1 LYS 1538 HE2 0.02 0.05 -0.02 -0.04 2.99 3.00 1mx5A1 LYS 1538 HE3 0.02 0.02 -0.02 -0.04 2.99 2.97 1mx5A1 LEU 1539 H 0.02 0.23 -0.07 -0.55 8.37 8.01 1mx5A1 LEU 1539 HA -0.23 0.03 0.38 -0.75 4.35 3.78 1mx5A1 LEU 1539 HB2 -1.57 0.02 -0.08 -0.04 1.64 -0.04 1mx5A1 LEU 1539 HB3 -0.30 0.06 0.02 -0.04 1.64 1.38 1mx5A1 LEU 1539 HG -0.23 0.00 -0.27 -0.04 1.64 1.10 1mx5A1 LEU 1539 HD13 -0.30 -0.05 -0.05 -0.04 0.93 0.49 1mx5A1 LEU 1539 HD23 -0.44 0.01 -0.15 -0.04 0.89 0.26 1mx5A1 LYS 1540 H -0.03 0.16 0.18 -0.55 8.42 8.18 1mx5A1 LYS 1540 HA 0.05 -0.02 0.34 -0.75 4.32 3.94 1mx5A1 LYS 1540 HB2 0.01 0.23 -0.25 -0.04 1.87 1.82 1mx5A1 LYS 1540 HB3 0.08 -0.11 0.11 -0.04 1.79 1.83 1mx5A1 LYS 1540 HG2 -0.04 -0.02 -0.11 -0.04 1.46 1.25 1mx5A1 LYS 1540 HG3 0.01 0.03 -0.12 -0.04 1.46 1.33 1mx5A1 LYS 1540 HD2 0.10 -0.04 0.03 -0.04 1.69 1.74 1mx5A1 LYS 1540 HD3 0.06 0.00 0.07 -0.04 1.68 1.77 1mx5A1 LYS 1540 HE2 0.04 0.03 -0.00 -0.04 2.99 3.02 1mx5A1 LYS 1540 HE3 0.06 -0.05 0.01 -0.04 2.99 2.97 1mx5A1 ASP 1541 H 0.04 0.40 -0.63 -0.55 8.40 7.67 1mx5A1 ASP 1541 HA 0.07 0.11 0.27 -0.75 4.63 4.32 1mx5A1 ASP 1541 HB2 0.06 0.07 -0.03 -0.04 2.71 2.77 1mx5A1 ASP 1541 HB3 0.05 -0.05 0.06 -0.04 2.70 2.72 1mx5A1 LYS 1542 H 0.05 0.10 -0.17 -0.55 8.42 7.85 1mx5A1 LYS 1542 HA 0.05 0.11 0.39 -0.75 4.32 4.11 1mx5A1 LYS 1542 HB2 0.02 -0.06 0.05 -0.04 1.87 1.84 1mx5A1 LYS 1542 HB3 -0.01 0.06 -0.01 -0.04 1.79 1.79 1mx5A1 LYS 1542 HG2 0.01 0.05 0.02 -0.04 1.46 1.50 1mx5A1 LYS 1542 HG3 0.03 -0.03 0.04 -0.04 1.46 1.45 1mx5A1 LYS 1542 HD2 0.00 0.03 0.01 -0.04 1.69 1.70 1mx5A1 LYS 1542 HD3 0.01 -0.03 0.03 -0.04 1.68 1.65 1mx5A1 LYS 1542 HE2 -0.04 0.01 0.01 -0.04 2.99 2.93 1mx5A1 LYS 1542 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 1mx5A1 GLU 1543 H 0.12 0.09 -0.24 -0.55 8.60 8.02 1mx5A1 GLU 1543 HA 0.25 0.07 0.48 -0.75 4.29 4.34 1mx5A1 GLU 1543 HB2 0.24 0.09 0.10 -0.04 2.09 2.48 1mx5A1 GLU 1543 HB3 0.57 0.00 0.00 -0.04 1.99 2.52 1mx5A1 GLU 1543 HG2 0.27 0.02 0.02 -0.04 2.34 2.61 1mx5A1 GLU 1543 HG3 0.18 0.05 -0.01 -0.04 2.34 2.51 1mx5A1 VAL 1544 H 0.17 0.62 -0.03 -0.55 8.24 8.45 1mx5A1 VAL 1544 HA 0.23 -0.01 0.37 -0.75 4.13 3.97 1mx5A1 VAL 1544 HB 0.11 0.11 0.07 -0.04 2.12 2.37 1mx5A1 VAL 1544 HG13 0.10 0.00 -0.09 -0.04 0.97 0.94 1mx5A1 VAL 1544 HG23 0.09 0.06 0.01 -0.04 0.95 1.07 1mx5A1 ALA 1545 H 0.12 0.38 -0.33 -0.55 8.40 8.03 1mx5A1 ALA 1545 HA 0.07 0.07 0.43 -0.75 4.34 4.16 1mx5A1 ALA 1545 HB3 0.06 0.03 0.06 -0.04 1.41 1.53 1mx5A1 PHE 1546 H 0.18 0.40 -0.06 -0.55 8.34 8.30 1mx5A1 PHE 1546 HA -0.14 0.03 0.40 -0.75 4.62 4.16 1mx5A1 PHE 1546 HB2 -0.18 0.04 0.14 -0.04 3.15 3.10 1mx5A1 PHE 1546 HB3 -0.28 0.02 0.21 -0.04 3.06 2.97 1mx5A1 PHE 1546 HD2 -1.06 -0.00 -0.03 -0.04 7.28 6.16 1mx5A1 PHE 1546 HE2 -0.99 -0.01 -0.04 -0.04 7.38 6.30 1mx5A1 PHE 1546 HZ -0.39 0.02 -0.12 -0.04 7.32 6.78 1mx5A1 TRP 1547 H 0.16 0.67 -0.05 -0.55 7.97 8.21 1mx5A1 TRP 1547 HA -0.60 -0.01 0.50 -0.75 4.62 3.77 1mx5A1 TRP 1547 HB2 0.03 0.09 0.06 -0.04 3.23 3.37 1mx5A1 TRP 1547 HB3 -0.18 0.01 -0.03 -0.04 3.23 2.99 1mx5A1 TRP 1547 HD1 0.17 0.10 -0.09 -0.04 7.22 7.37 1mx5A1 TRP 1547 HE1 0.29 -0.05 -0.04 -0.04 10.20 10.36 1mx5A1 TRP 1547 HE3 -1.26 -0.00 -0.03 -0.04 7.59 6.26 1mx5A1 TRP 1547 HZ2 -0.33 -0.01 -0.03 -0.04 7.44 7.02 1mx5A1 TRP 1547 HZ3 -0.29 -0.01 -0.09 -0.04 7.13 6.69 1mx5A1 TRP 1547 HH2 -0.12 -0.05 -0.10 -0.04 7.19 6.89 1mx5A1 THR 1548 H 0.17 0.61 -0.11 -0.55 8.28 8.40 1mx5A1 THR 1548 HA 0.19 -0.00 0.35 -0.75 4.39 4.18 1mx5A1 THR 1548 HB 0.07 0.06 0.16 -0.04 4.32 4.58 1mx5A1 THR 1548 HG23 0.06 -0.02 -0.08 -0.04 1.22 1.14 1mx5A1 ASN 1549 H -0.08 0.35 -0.56 -0.55 8.53 7.69 1mx5A1 ASN 1549 HA -0.03 0.10 0.62 -0.75 4.76 4.70 1mx5A1 ASN 1549 HB2 -0.15 0.17 0.17 -0.04 2.88 3.03 1mx5A1 ASN 1549 HB3 -0.11 -0.07 -0.04 -0.04 2.79 2.53 1mx5A1 ASN 1549 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.92 1mx5A1 ASN 1549 HD22 -0.03 -0.03 -0.03 -0.04 7.74 7.61 1mx5A1 LEU 1550 H -0.48 0.69 0.17 -0.55 8.37 8.20 1mx5A1 LEU 1550 HA -0.27 -0.03 0.36 -0.75 4.35 3.66 1mx5A1 LEU 1550 HB2 -1.19 0.03 0.11 -0.04 1.64 0.55 1mx5A1 LEU 1550 HB3 -0.81 0.00 0.17 -0.04 1.64 0.96 1mx5A1 LEU 1550 HG -0.26 0.01 -0.25 -0.04 1.64 1.11 1mx5A1 LEU 1550 HD13 -0.19 -0.02 0.04 -0.04 0.93 0.72 1mx5A1 LEU 1550 HD23 -0.57 -0.01 -0.08 -0.04 0.89 0.18 1mx5A1 PHE 1551 H -0.04 0.81 -0.15 -0.55 8.34 8.41 1mx5A1 PHE 1551 HA 0.05 -0.01 0.49 -0.75 4.62 4.40 1mx5A1 PHE 1551 HB2 0.06 0.18 0.05 -0.04 3.15 3.40 1mx5A1 PHE 1551 HB3 0.04 -0.02 -0.04 -0.04 3.06 2.99 1mx5A1 PHE 1551 HD2 0.10 -0.03 -0.05 -0.04 7.28 7.27 1mx5A1 PHE 1551 HE2 -0.05 -0.01 -0.06 -0.04 7.38 7.21 1mx5A1 PHE 1551 HZ -0.25 0.05 -0.06 -0.04 7.32 7.02 1mx5A1 ALA 1552 H 0.10 0.29 -0.38 -0.55 8.40 7.87 1mx5A1 ALA 1552 HA 0.07 -0.04 0.36 -0.75 4.34 3.97 1mx5A1 ALA 1552 HB3 0.03 0.05 0.18 -0.04 1.41 1.63 1mx5A1 LYS 1553 H 0.06 0.14 -1.34 -0.55 8.42 6.73 1mx5A1 LYS 1553 HA 0.03 0.08 0.13 -0.75 4.32 3.80 1mx5A1 LYS 1553 HB2 0.07 0.06 -0.12 -0.04 1.87 1.84 1mx5A1 LYS 1553 HB3 0.04 0.20 -0.04 -0.04 1.79 1.95 1mx5A1 LYS 1553 HG2 0.02 -0.03 0.06 -0.04 1.46 1.47 1mx5A1 LYS 1553 HG3 0.04 -0.07 0.03 -0.04 1.46 1.41 1mx5A1 LYS 1553 HD2 0.04 -0.02 0.01 -0.04 1.69 1.68 1mx5A1 LYS 1553 HD3 0.03 0.04 0.02 -0.04 1.68 1.73 1mx5A1 LYS 1553 HE2 0.01 -0.00 0.02 -0.04 2.99 2.98 1mx5A1 LYS 1553 HE3 0.02 -0.06 0.01 -0.04 2.99 2.92