data_19327 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19327 _Entry.PDB_ID 2MA4 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19327 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 23 23 GLU N N 23 117.829 117.829 120.912 -3.083 19327 2 1 1 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.737 -0.024 19327 3 1 1 . 1 1 23 23 GLU C C 23 174.825 174.825 175.337 -0.512 19327 4 1 1 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.398 -0.035 19327 5 1 1 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.321 0.319 19327 6 1 1 . 1 1 23 23 GLU H H 23 7.921 7.921 8.324 -0.403 19327 7 1 1 . 1 1 24 24 ILE N N 24 123.913 123.913 123.449 0.464 19327 8 1 1 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.459 0.412 19327 9 1 1 . 1 1 24 24 ILE C C 24 176.427 176.427 175.949 0.478 19327 10 1 1 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.387 -0.099 19327 11 1 1 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.242 1.016 19327 12 1 1 . 1 1 24 24 ILE H H 24 8.873 8.873 8.735 0.138 19327 13 1 1 . 1 1 25 25 MET N N 25 127.256 127.256 127.791 -0.535 19327 14 1 1 . 1 1 25 25 MET HA H 25 4.761 4.761 4.873 -0.112 19327 15 1 1 . 1 1 25 25 MET C C 25 175.735 175.735 174.767 0.968 19327 16 1 1 . 1 1 25 25 MET CA C 25 54.339 54.339 54.321 0.018 19327 17 1 1 . 1 1 25 25 MET CB C 25 37.347 37.347 37.306 0.041 19327 18 1 1 . 1 1 25 25 MET H H 25 8.727 8.727 8.999 -0.272 19327 19 1 1 . 1 1 26 26 LYS N N 26 123.671 123.671 120.736 2.935 19327 20 1 1 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.601 -0.286 19327 21 1 1 . 1 1 26 26 LYS C C 26 178.259 178.259 177.602 0.657 19327 22 1 1 . 1 1 26 26 LYS CA C 26 56.725 56.725 55.825 0.900 19327 23 1 1 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.312 -0.349 19327 24 1 1 . 1 1 26 26 LYS H H 26 9.189 9.189 8.570 0.619 19327 25 1 1 . 1 1 27 27 LYS N N 27 126.369 126.369 121.579 4.790 19327 26 1 1 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.079 -0.215 19327 27 1 1 . 1 1 27 27 LYS C C 27 177.241 177.241 178.495 -1.254 19327 28 1 1 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.408 1.179 19327 29 1 1 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.229 0.130 19327 30 1 1 . 1 1 27 27 LYS H H 27 8.871 8.871 8.661 0.210 19327 31 1 1 . 1 1 28 28 THR N N 28 107.099 107.099 115.408 -8.309 19327 32 1 1 . 1 1 28 28 THR HA H 28 4.135 4.135 4.078 0.057 19327 33 1 1 . 1 1 28 28 THR CA C 28 64.757 64.757 66.950 -2.193 19327 34 1 1 . 1 1 28 28 THR CB C 28 68.084 68.084 68.278 -0.194 19327 35 1 1 . 1 1 28 28 THR H H 28 8.110 8.110 8.514 -0.404 19327 36 1 1 . 1 1 29 29 ASP N N 29 119.543 119.543 121.577 -2.034 19327 37 1 1 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.483 0.103 19327 38 1 1 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.017 -0.361 19327 39 1 1 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.299 0.428 19327 40 1 1 . 1 1 29 29 ASP H H 29 6.779 6.779 8.330 -1.551 19327 41 1 1 . 1 1 30 30 PHE N N 30 123.437 123.437 121.325 2.112 19327 42 1 1 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.104 -0.168 19327 43 1 1 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.178 0.684 19327 44 1 1 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.290 -0.260 19327 45 1 1 . 1 1 30 30 PHE H H 30 8.633 8.633 8.189 0.444 19327 46 1 1 . 1 1 31 31 ASP N N 31 117.040 117.040 119.842 -2.802 19327 47 1 1 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.121 0.029 19327 48 1 1 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.692 -0.617 19327 49 1 1 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.697 -0.711 19327 50 1 1 . 1 1 31 31 ASP H H 31 8.650 8.650 8.469 0.181 19327 51 1 1 . 1 1 32 32 LYS N N 32 114.800 114.800 117.851 -3.051 19327 52 1 1 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.013 0.101 19327 53 1 1 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.646 -0.259 19327 54 1 1 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.632 0.623 19327 55 1 1 . 1 1 32 32 LYS H H 32 6.927 6.927 7.713 -0.786 19327 56 1 1 . 1 1 33 33 VAL N N 33 109.380 109.380 111.227 -1.847 19327 57 1 1 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.423 0.196 19327 58 1 1 . 1 1 33 33 VAL CA C 33 60.060 60.060 59.892 0.168 19327 59 1 1 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.504 0.930 19327 60 1 1 . 1 1 33 33 VAL H H 33 7.404 7.404 7.360 0.044 19327 61 1 1 . 1 1 34 34 ALA N N 34 124.530 124.530 126.551 -2.021 19327 62 1 1 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.177 -0.161 19327 63 1 1 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.335 -0.071 19327 64 1 1 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.216 1.178 19327 65 1 1 . 1 1 34 34 ALA H H 34 6.714 6.714 7.399 -0.685 19327 66 1 1 . 1 1 35 35 SER N N 35 110.547 110.547 111.103 -0.556 19327 67 1 1 . 1 1 35 35 SER HA H 35 4.324 4.324 4.175 0.149 19327 68 1 1 . 1 1 35 35 SER CA C 35 60.456 60.456 60.643 -0.187 19327 69 1 1 . 1 1 35 35 SER CB C 35 62.536 62.536 62.449 0.087 19327 70 1 1 . 1 1 35 35 SER H H 35 8.121 8.121 8.462 -0.341 19327 71 1 1 . 1 1 36 36 GLU N N 36 119.216 119.216 120.238 -1.022 19327 72 1 1 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.337 -0.064 19327 73 1 1 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.354 -0.567 19327 74 1 1 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.666 -0.581 19327 75 1 1 . 1 1 36 36 GLU H H 36 8.305 8.305 7.835 0.470 19327 76 1 1 . 1 1 37 37 TYR N N 37 117.179 117.179 117.464 -0.285 19327 77 1 1 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.427 -0.277 19327 78 1 1 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.236 0.720 19327 79 1 1 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.418 1.822 19327 80 1 1 . 1 1 37 37 TYR H H 37 7.922 7.922 7.893 0.029 19327 81 1 1 . 1 1 38 38 THR N N 38 115.546 115.546 115.774 -0.228 19327 82 1 1 . 1 1 38 38 THR HA H 38 4.843 4.843 4.833 0.010 19327 83 1 1 . 1 1 38 38 THR CA C 38 60.454 60.454 60.535 -0.081 19327 84 1 1 . 1 1 38 38 THR CB C 38 71.300 71.300 71.034 0.267 19327 85 1 1 . 1 1 38 38 THR H H 38 9.483 9.483 9.008 0.475 19327 86 1 1 . 1 1 39 39 LYS N N 39 130.415 130.415 130.640 -0.225 19327 87 1 1 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.754 0.129 19327 88 1 1 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.335 1.280 19327 89 1 1 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.661 0.929 19327 90 1 1 . 1 1 39 39 LYS H H 39 9.290 9.290 8.836 0.454 19327 91 1 1 . 1 1 40 40 ILE N N 40 122.004 122.004 122.507 -0.503 19327 92 1 1 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.419 0.139 19327 93 1 1 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.521 0.531 19327 94 1 1 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.527 0.830 19327 95 1 1 . 1 1 40 40 ILE H H 40 8.819 8.819 8.423 0.396 19327 96 1 1 . 1 1 41 41 GLY N N 41 107.582 107.582 108.356 -0.774 19327 97 1 1 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.384 -0.178 19327 98 1 1 . 1 1 41 41 GLY H H 41 7.136 7.136 7.204 -0.068 19327 99 1 1 . 1 1 42 42 THR N N 42 115.052 115.052 115.376 -0.324 19327 100 1 1 . 1 1 42 42 THR HA H 42 5.237 5.237 5.033 0.204 19327 101 1 1 . 1 1 42 42 THR CA C 42 60.959 60.959 61.410 -0.451 19327 102 1 1 . 1 1 42 42 THR CB C 42 72.255 72.255 70.748 1.507 19327 103 1 1 . 1 1 42 42 THR H H 42 8.218 8.218 8.206 0.012 19327 104 1 1 . 1 1 43 43 ILE N N 43 118.029 118.029 121.750 -3.721 19327 105 1 1 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.795 -0.008 19327 106 1 1 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.303 0.249 19327 107 1 1 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.938 1.764 19327 108 1 1 . 1 1 43 43 ILE H H 43 9.129 9.129 8.968 0.161 19327 109 1 1 . 1 1 44 44 SER N N 44 113.484 113.484 117.705 -4.221 19327 110 1 1 . 1 1 44 44 SER HA H 44 5.252 5.252 5.559 -0.307 19327 111 1 1 . 1 1 44 44 SER CA C 44 56.792 56.792 56.727 0.065 19327 112 1 1 . 1 1 44 44 SER CB C 44 66.063 66.063 66.450 -0.387 19327 113 1 1 . 1 1 44 44 SER H H 44 8.335 8.335 8.252 0.083 19327 114 1 1 . 1 1 45 45 THR N N 45 113.454 113.454 115.083 -1.629 19327 115 1 1 . 1 1 45 45 THR HA H 45 4.555 4.555 4.466 0.089 19327 116 1 1 . 1 1 45 45 THR CA C 45 60.871 60.871 61.538 -0.667 19327 117 1 1 . 1 1 45 45 THR CB C 45 70.060 70.060 69.942 0.118 19327 118 1 1 . 1 1 45 45 THR H H 45 8.375 8.375 8.572 -0.197 19327 119 1 1 . 1 1 46 46 THR N N 46 117.848 117.848 116.762 1.086 19327 120 1 1 . 1 1 46 46 THR HA H 46 4.401 4.401 4.061 0.340 19327 121 1 1 . 1 1 46 46 THR CA C 46 62.097 62.097 64.751 -2.654 19327 122 1 1 . 1 1 46 46 THR CB C 46 69.387 69.387 68.999 0.388 19327 123 1 1 . 1 1 46 46 THR H H 46 8.542 8.542 9.004 -0.462 19327 124 1 1 . 1 1 47 47 GLY N N 47 111.660 111.660 107.063 4.597 19327 125 1 1 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.396 0.487 19327 126 1 1 . 1 1 47 47 GLY H H 47 8.325 8.325 7.434 0.891 19327 127 1 1 . 1 1 48 48 GLU N N 48 120.153 120.153 119.766 0.387 19327 128 1 1 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.244 0.152 19327 129 1 1 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.543 -0.839 19327 130 1 1 . 1 1 48 48 GLU CB C 48 29.594 29.594 27.489 2.105 19327 131 1 1 . 1 1 48 48 GLU H H 48 8.437 8.437 8.372 0.065 19327 132 1 1 . 1 1 49 49 MET N N 49 120.146 120.146 123.576 -3.430 19327 133 1 1 . 1 1 49 49 MET HA H 49 4.696 4.696 4.343 0.353 19327 134 1 1 . 1 1 49 49 MET CA C 49 55.028 55.028 57.471 -2.443 19327 135 1 1 . 1 1 49 49 MET CB C 49 36.079 36.079 33.377 2.702 19327 136 1 1 . 1 1 49 49 MET H H 49 8.390 8.390 8.028 0.362 19327 137 1 1 . 1 1 50 50 SER N N 50 118.105 118.105 111.790 6.315 19327 138 1 1 . 1 1 50 50 SER HA H 50 4.780 4.780 4.934 -0.154 19327 139 1 1 . 1 1 50 50 SER CA C 50 56.822 56.822 55.771 1.051 19327 140 1 1 . 1 1 50 50 SER CB C 50 62.631 62.631 64.289 -1.658 19327 141 1 1 . 1 1 50 50 SER H H 50 9.023 9.023 7.873 1.150 19327 142 1 1 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.374 -0.133 19327 143 1 1 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.368 0.710 19327 144 1 1 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.997 0.010 19327 145 1 1 . 1 1 52 52 LEU N N 52 117.624 117.624 118.489 -0.865 19327 146 1 1 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.175 -0.063 19327 147 1 1 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.682 0.266 19327 148 1 1 . 1 1 52 52 LEU CB C 52 41.592 41.592 41.231 0.361 19327 149 1 1 . 1 1 52 52 LEU H H 52 8.169 8.169 7.944 0.225 19327 150 1 1 . 1 1 53 53 ASP N N 53 120.042 120.042 119.040 1.002 19327 151 1 1 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.359 0.063 19327 152 1 1 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.514 -0.766 19327 153 1 1 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.506 -0.666 19327 154 1 1 . 1 1 53 53 ASP H H 53 7.515 7.515 8.613 -1.098 19327 155 1 1 . 1 1 54 54 ALA N N 54 123.542 123.542 122.371 1.171 19327 156 1 1 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.953 0.257 19327 157 1 1 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.150 -0.350 19327 158 1 1 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.501 -0.059 19327 159 1 1 . 1 1 54 54 ALA H H 54 8.806 8.806 8.064 0.742 19327 160 1 1 . 1 1 55 55 ARG N N 55 117.281 117.281 118.745 -1.464 19327 161 1 1 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.912 -0.170 19327 162 1 1 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.837 0.463 19327 163 1 1 . 1 1 55 55 ARG CB C 55 30.267 30.267 29.999 0.268 19327 164 1 1 . 1 1 55 55 ARG H H 55 7.869 7.869 7.624 0.245 19327 165 1 1 . 1 1 56 56 GLU N N 56 116.048 116.048 117.972 -1.924 19327 166 1 1 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.052 -0.043 19327 167 1 1 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.732 0.108 19327 168 1 1 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.889 -0.199 19327 169 1 1 . 1 1 56 56 GLU H H 56 7.638 7.638 7.918 -0.280 19327 170 1 1 . 1 1 57 57 ASP N N 57 120.238 120.238 120.681 -0.443 19327 171 1 1 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.452 -0.068 19327 172 1 1 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.013 0.461 19327 173 1 1 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.654 1.878 19327 174 1 1 . 1 1 57 57 ASP H H 57 8.126 8.126 8.098 0.028 19327 175 1 1 . 1 1 58 58 LEU N N 58 117.410 117.410 119.793 -2.383 19327 176 1 1 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.979 -0.118 19327 177 1 1 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.746 -0.150 19327 178 1 1 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.980 -0.366 19327 179 1 1 . 1 1 58 58 LEU H H 58 8.172 8.172 7.966 0.206 19327 180 1 1 . 1 1 59 59 ILE N N 59 118.841 118.841 120.287 -1.446 19327 181 1 1 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.562 -0.259 19327 182 1 1 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.563 0.194 19327 183 1 1 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.408 0.155 19327 184 1 1 . 1 1 59 59 ILE H H 59 8.028 8.028 8.404 -0.376 19327 185 1 1 . 1 1 60 60 LYS N N 60 119.525 119.525 120.521 -0.996 19327 186 1 1 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.890 0.204 19327 187 1 1 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.190 -0.437 19327 188 1 1 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.138 -0.003 19327 189 1 1 . 1 1 60 60 LYS H H 60 7.895 7.895 8.130 -0.235 19327 190 1 1 . 1 1 61 61 LYS N N 61 119.257 119.257 118.760 0.497 19327 191 1 1 . 1 1 61 61 LYS HA H 61 3.987 3.987 3.991 -0.004 19327 192 1 1 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.532 -0.258 19327 193 1 1 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.323 1.221 19327 194 1 1 . 1 1 61 61 LYS H H 61 8.086 8.086 7.831 0.255 19327 195 1 1 . 1 1 62 62 ALA N N 62 122.326 122.326 121.613 0.713 19327 196 1 1 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.932 -0.159 19327 197 1 1 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.460 -0.423 19327 198 1 1 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.311 0.791 19327 199 1 1 . 1 1 62 62 ALA H H 62 8.489 8.489 8.157 0.332 19327 200 1 1 . 1 1 63 63 ASP N N 63 120.381 120.381 118.865 1.516 19327 201 1 1 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.378 0.217 19327 202 1 1 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.208 -0.128 19327 203 1 1 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.154 -2.125 19327 204 1 1 . 1 1 63 63 ASP H H 63 8.855 8.855 8.177 0.678 19327 205 1 1 . 1 1 64 64 GLU N N 64 121.428 121.428 119.259 2.169 19327 206 1 1 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.082 -0.005 19327 207 1 1 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.639 0.256 19327 208 1 1 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.703 -0.579 19327 209 1 1 . 1 1 64 64 GLU H H 64 8.053 8.053 7.848 0.205 19327 210 1 1 . 1 1 65 65 LYS N N 65 115.778 115.778 116.260 -0.482 19327 211 1 1 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.319 0.001 19327 212 1 1 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.861 -1.032 19327 213 1 1 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.604 0.415 19327 214 1 1 . 1 1 65 65 LYS H H 65 7.186 7.186 7.835 -0.649 19327 215 1 1 . 1 1 66 66 GLY N N 66 107.578 107.578 105.856 1.722 19327 216 1 1 . 1 1 66 66 GLY CA C 66 45.822 45.822 44.956 0.866 19327 217 1 1 . 1 1 66 66 GLY H H 66 7.873 7.873 7.582 0.291 19327 218 1 1 . 1 1 67 67 ALA N N 67 119.025 119.025 122.165 -3.140 19327 219 1 1 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.257 -0.235 19327 220 1 1 . 1 1 67 67 ALA CA C 67 51.699 51.699 51.738 -0.039 19327 221 1 1 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.925 1.284 19327 222 1 1 . 1 1 67 67 ALA H H 67 7.927 7.927 7.742 0.185 19327 223 1 1 . 1 1 68 68 ASP N N 68 116.686 116.686 122.520 -5.834 19327 224 1 1 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.755 0.317 19327 225 1 1 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.759 -1.158 19327 226 1 1 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.239 2.769 19327 227 1 1 . 1 1 68 68 ASP H H 68 8.793 8.793 8.413 0.380 19327 228 1 1 . 1 1 69 69 VAL N N 69 118.623 118.623 118.198 0.425 19327 229 1 1 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.279 0.851 19327 230 1 1 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.008 -0.578 19327 231 1 1 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.430 2.173 19327 232 1 1 . 1 1 69 69 VAL H H 69 8.076 8.076 8.089 -0.013 19327 233 1 1 . 1 1 70 70 VAL N N 70 127.358 127.358 126.407 0.951 19327 234 1 1 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.260 0.300 19327 235 1 1 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.509 -1.566 19327 236 1 1 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.424 2.009 19327 237 1 1 . 1 1 70 70 VAL H H 70 8.724 8.724 8.984 -0.260 19327 238 1 1 . 1 1 71 71 VAL N N 71 126.739 126.739 128.282 -1.543 19327 239 1 1 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.552 0.004 19327 240 1 1 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.473 0.379 19327 241 1 1 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.987 2.075 19327 242 1 1 . 1 1 71 71 VAL H H 71 8.891 8.891 8.703 0.188 19327 243 1 1 . 1 1 72 72 LEU N N 72 127.581 127.581 129.754 -2.173 19327 244 1 1 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.302 0.146 19327 245 1 1 . 1 1 72 72 LEU CA C 72 55.720 55.720 54.895 0.825 19327 246 1 1 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.194 1.437 19327 247 1 1 . 1 1 72 72 LEU H H 72 8.802 8.802 8.565 0.237 19327 248 1 1 . 1 1 73 73 THR N N 73 114.207 114.207 116.137 -1.930 19327 249 1 1 . 1 1 73 73 THR HA H 73 4.420 4.420 4.431 -0.011 19327 250 1 1 . 1 1 73 73 THR CA C 73 61.516 61.516 61.786 -0.270 19327 251 1 1 . 1 1 73 73 THR CB C 73 69.462 69.462 67.429 2.033 19327 252 1 1 . 1 1 73 73 THR H H 73 8.631 8.631 8.313 0.318 19327 253 1 1 . 1 1 74 74 SER N N 74 116.164 116.164 117.127 -0.963 19327 254 1 1 . 1 1 74 74 SER HA H 74 4.542 4.542 4.455 0.087 19327 255 1 1 . 1 1 74 74 SER CA C 74 58.066 58.066 58.643 -0.577 19327 256 1 1 . 1 1 74 74 SER CB C 74 63.962 63.962 64.591 -0.629 19327 257 1 1 . 1 1 74 74 SER H H 74 8.137 8.137 8.081 0.056 19327 258 1 1 . 1 1 75 75 GLY N N 75 110.048 110.048 112.563 -2.515 19327 259 1 1 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.796 0.488 19327 260 1 1 . 1 1 75 75 GLY H H 75 8.574 8.574 7.711 0.863 19327 261 1 1 . 1 1 76 76 GLN N N 76 119.520 119.520 118.978 0.542 19327 262 1 1 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.449 0.050 19327 263 1 1 . 1 1 76 76 GLN CA C 76 55.969 55.969 54.909 1.060 19327 264 1 1 . 1 1 76 76 GLN CB C 76 29.761 29.761 30.733 -0.972 19327 265 1 1 . 1 1 76 76 GLN H H 76 8.393 8.393 8.236 0.157 19327 266 1 1 . 1 1 77 77 THR N N 77 113.213 113.213 112.715 0.498 19327 267 1 1 . 1 1 77 77 THR HA H 77 4.432 4.432 3.923 0.509 19327 268 1 1 . 1 1 77 77 THR CA C 77 61.408 61.408 63.856 -2.448 19327 269 1 1 . 1 1 77 77 THR CB C 77 69.786 69.786 67.915 1.871 19327 270 1 1 . 1 1 77 77 THR H H 77 8.105 8.105 8.812 -0.707 19327 271 1 1 . 1 1 78 78 GLU N N 78 120.912 120.912 111.318 9.594 19327 272 1 1 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.809 0.439 19327 273 1 1 . 1 1 78 78 GLU CA C 78 56.990 56.990 57.798 -0.808 19327 274 1 1 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.671 1.119 19327 275 1 1 . 1 1 78 78 GLU H H 78 8.454 8.454 8.542 -0.088 19327 276 1 1 . 1 1 79 79 ASN N N 79 117.094 117.094 120.024 -2.930 19327 277 1 1 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.620 -0.015 19327 278 1 1 . 1 1 79 79 ASN CA C 79 53.760 53.760 53.082 0.678 19327 279 1 1 . 1 1 79 79 ASN CB C 79 38.731 38.731 37.639 1.092 19327 280 1 1 . 1 1 79 79 ASN H H 79 8.329 8.329 7.666 0.663 19327 281 1 1 . 1 1 80 80 LYS N N 80 118.942 118.942 118.274 0.668 19327 282 1 1 . 1 1 80 80 LYS HA H 80 4.307 4.307 3.883 0.424 19327 283 1 1 . 1 1 80 80 LYS CA C 80 56.116 56.116 57.331 -1.215 19327 284 1 1 . 1 1 80 80 LYS CB C 80 33.378 33.378 30.382 2.996 19327 285 1 1 . 1 1 80 80 LYS H H 80 7.910 7.910 8.145 -0.235 19327 286 1 1 . 1 1 81 81 ILE N N 81 119.677 119.677 114.693 4.984 19327 287 1 1 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.311 -0.005 19327 288 1 1 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.075 0.451 19327 289 1 1 . 1 1 81 81 ILE CB C 81 40.050 40.050 39.583 0.467 19327 290 1 1 . 1 1 81 81 ILE H H 81 8.341 8.341 7.492 0.849 19327 291 1 1 . 1 1 82 82 HIS N N 82 121.812 121.812 124.773 -2.961 19327 292 1 1 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.607 0.169 19327 293 1 1 . 1 1 82 82 HIS CA C 82 54.684 54.684 57.251 -2.567 19327 294 1 1 . 1 1 82 82 HIS CB C 82 28.930 28.930 31.610 -2.680 19327 295 1 1 . 1 1 82 82 HIS H H 82 8.472 8.472 8.758 -0.286 19327 296 1 1 . 1 1 83 83 GLY N N 83 111.641 111.641 105.973 5.668 19327 297 1 1 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.972 0.152 19327 298 1 1 . 1 1 83 83 GLY H H 83 8.334 8.334 8.451 -0.117 19327 299 1 1 . 1 1 84 84 THR N N 84 112.460 112.460 112.333 0.127 19327 300 1 1 . 1 1 84 84 THR HA H 84 5.037 5.037 5.171 -0.134 19327 301 1 1 . 1 1 84 84 THR CA C 84 60.301 60.301 59.840 0.461 19327 302 1 1 . 1 1 84 84 THR CB C 84 72.048 72.048 69.966 2.082 19327 303 1 1 . 1 1 84 84 THR H H 84 8.125 8.125 7.632 0.493 19327 304 1 1 . 1 1 85 85 ALA N N 85 122.513 122.513 127.075 -4.562 19327 305 1 1 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.030 -0.071 19327 306 1 1 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.741 0.529 19327 307 1 1 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.811 1.032 19327 308 1 1 . 1 1 85 85 ALA H H 85 8.841 8.841 8.920 -0.079 19327 309 1 1 . 1 1 86 86 ASP N N 86 121.651 121.651 124.624 -2.973 19327 310 1 1 . 1 1 86 86 ASP HA H 86 5.198 5.198 5.104 0.094 19327 311 1 1 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.465 -0.988 19327 312 1 1 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.799 0.530 19327 313 1 1 . 1 1 86 86 ASP H H 86 8.506 8.506 8.328 0.178 19327 314 1 1 . 1 1 87 87 ILE N N 87 111.376 111.376 117.960 -6.584 19327 315 1 1 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.970 0.409 19327 316 1 1 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.948 -1.759 19327 317 1 1 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.060 2.329 19327 318 1 1 . 1 1 87 87 ILE H H 87 7.966 7.966 8.271 -0.305 19327 319 1 1 . 1 1 88 88 TYR N N 88 118.138 118.138 125.691 -7.553 19327 320 1 1 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.499 -0.056 19327 321 1 1 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.228 0.789 19327 322 1 1 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.773 1.401 19327 323 1 1 . 1 1 88 88 TYR H H 88 8.754 8.754 8.945 -0.191 19327 324 1 1 . 1 1 89 89 LYS N N 89 123.705 123.705 120.758 2.947 19327 325 1 1 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.192 -0.015 19327 326 1 1 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.385 0.081 19327 327 1 1 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.456 0.681 19327 328 1 1 . 1 1 89 89 LYS H H 89 9.595 9.595 8.994 0.601 19327 329 1 1 . 1 1 90 90 LYS N N 90 129.328 129.328 123.249 6.079 19327 330 1 1 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.056 -0.236 19327 331 1 1 . 1 1 90 90 LYS CA C 90 57.666 57.666 55.881 1.785 19327 332 1 1 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.679 -0.852 19327 333 1 1 . 1 1 90 90 LYS H H 90 10.195 10.195 8.748 1.447 19327 334 1 1 . 1 1 91 91 LYS N N 91 126.034 126.034 126.638 -0.604 19327 335 1 1 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.144 -0.034 19327 336 1 1 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.293 1.032 19327 337 1 1 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.698 1.627 19327 338 1 1 . 1 1 91 91 LYS H H 91 8.459 8.459 7.884 0.575 19327 339 1 1 . 1 1 92 92 LEU N N 92 123.360 123.360 126.136 -2.776 19327 340 1 1 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.282 0.003 19327 341 1 1 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.493 -0.676 19327 342 1 1 . 1 1 92 92 LEU CB C 92 42.315 42.315 42.525 -0.210 19327 343 1 1 . 1 1 92 92 LEU H H 92 8.266 8.266 8.229 0.037 19327 344 1 1 . 1 1 93 93 GLU N N 93 121.993 121.993 124.118 -2.125 19327 345 1 1 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.369 -0.145 19327 346 1 1 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.685 0.147 19327 347 1 1 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.741 -0.316 19327 348 1 1 . 1 1 93 93 GLU H H 93 8.311 8.311 8.592 -0.281 19327 349 1 1 . 1 1 94 94 HIS N N 94 119.802 119.802 121.782 -1.980 19327 350 1 1 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.819 -0.183 19327 351 1 1 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.756 -0.697 19327 352 1 1 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.065 0.066 19327 353 1 1 . 1 1 94 94 HIS H H 94 8.567 8.567 8.404 0.163 19327 354 1 1 . 1 1 95 95 HIS N N 95 119.430 119.430 118.590 0.840 19327 355 1 1 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.151 0.486 19327 356 1 1 . 1 1 95 95 HIS CA C 95 55.174 55.174 57.657 -2.483 19327 357 1 1 . 1 1 95 95 HIS CB C 95 29.082 29.082 28.499 0.583 19327 358 1 1 . 1 1 95 95 HIS H H 95 8.600 8.600 8.627 -0.027 19327 359 1 2 . 1 1 23 23 GLU N N 23 117.829 117.829 121.553 -3.724 19327 360 1 2 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.686 0.027 19327 361 1 2 . 1 1 23 23 GLU C C 23 174.825 174.825 175.582 -0.757 19327 362 1 2 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.638 -0.275 19327 363 1 2 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.667 0.973 19327 364 1 2 . 1 1 23 23 GLU H H 23 7.921 7.921 8.681 -0.760 19327 365 1 2 . 1 1 24 24 ILE N N 24 123.913 123.913 123.278 0.635 19327 366 1 2 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.445 0.426 19327 367 1 2 . 1 1 24 24 ILE C C 24 176.427 176.427 175.735 0.692 19327 368 1 2 . 1 1 24 24 ILE CA C 24 60.288 60.288 59.978 0.310 19327 369 1 2 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.120 1.138 19327 370 1 2 . 1 1 24 24 ILE H H 24 8.873 8.873 8.564 0.309 19327 371 1 2 . 1 1 25 25 MET N N 25 127.256 127.256 127.740 -0.484 19327 372 1 2 . 1 1 25 25 MET HA H 25 4.761 4.761 4.779 -0.018 19327 373 1 2 . 1 1 25 25 MET C C 25 175.735 175.735 175.009 0.726 19327 374 1 2 . 1 1 25 25 MET CA C 25 54.339 54.339 54.200 0.139 19327 375 1 2 . 1 1 25 25 MET CB C 25 37.347 37.347 36.237 1.110 19327 376 1 2 . 1 1 25 25 MET H H 25 8.727 8.727 8.933 -0.206 19327 377 1 2 . 1 1 26 26 LYS N N 26 123.671 123.671 122.735 0.936 19327 378 1 2 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.318 -0.003 19327 379 1 2 . 1 1 26 26 LYS C C 26 178.259 178.259 177.465 0.794 19327 380 1 2 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.443 0.282 19327 381 1 2 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.176 -0.213 19327 382 1 2 . 1 1 26 26 LYS H H 26 9.189 9.189 8.953 0.236 19327 383 1 2 . 1 1 27 27 LYS N N 27 126.369 126.369 122.993 3.376 19327 384 1 2 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.991 -0.127 19327 385 1 2 . 1 1 27 27 LYS C C 27 177.241 177.241 178.523 -1.282 19327 386 1 2 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.894 0.693 19327 387 1 2 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.158 0.201 19327 388 1 2 . 1 1 27 27 LYS H H 27 8.871 8.871 8.129 0.742 19327 389 1 2 . 1 1 28 28 THR N N 28 107.099 107.099 113.698 -6.599 19327 390 1 2 . 1 1 28 28 THR HA H 28 4.135 4.135 4.096 0.039 19327 391 1 2 . 1 1 28 28 THR CA C 28 64.757 64.757 67.152 -2.395 19327 392 1 2 . 1 1 28 28 THR CB C 28 68.084 68.084 68.096 -0.012 19327 393 1 2 . 1 1 28 28 THR H H 28 8.110 8.110 8.473 -0.363 19327 394 1 2 . 1 1 29 29 ASP N N 29 119.543 119.543 121.500 -1.957 19327 395 1 2 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.418 0.168 19327 396 1 2 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.190 -0.534 19327 397 1 2 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.487 0.240 19327 398 1 2 . 1 1 29 29 ASP H H 29 6.779 6.779 7.811 -1.032 19327 399 1 2 . 1 1 30 30 PHE N N 30 123.437 123.437 119.862 3.575 19327 400 1 2 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.153 -0.217 19327 401 1 2 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.301 0.561 19327 402 1 2 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.696 -0.666 19327 403 1 2 . 1 1 30 30 PHE H H 30 8.633 8.633 8.220 0.413 19327 404 1 2 . 1 1 31 31 ASP N N 31 117.040 117.040 119.839 -2.799 19327 405 1 2 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.228 -0.078 19327 406 1 2 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.904 -0.829 19327 407 1 2 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.524 -0.538 19327 408 1 2 . 1 1 31 31 ASP H H 31 8.650 8.650 8.483 0.167 19327 409 1 2 . 1 1 32 32 LYS N N 32 114.800 114.800 119.027 -4.227 19327 410 1 2 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.044 0.070 19327 411 1 2 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.566 -0.179 19327 412 1 2 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.533 0.722 19327 413 1 2 . 1 1 32 32 LYS H H 32 6.927 6.927 8.147 -1.220 19327 414 1 2 . 1 1 33 33 VAL N N 33 109.380 109.380 111.286 -1.906 19327 415 1 2 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.443 0.176 19327 416 1 2 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.186 -0.126 19327 417 1 2 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.840 0.593 19327 418 1 2 . 1 1 33 33 VAL H H 33 7.404 7.404 7.321 0.083 19327 419 1 2 . 1 1 34 34 ALA N N 34 124.530 124.530 125.547 -1.017 19327 420 1 2 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.335 -0.319 19327 421 1 2 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.017 0.247 19327 422 1 2 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.193 1.201 19327 423 1 2 . 1 1 34 34 ALA H H 34 6.714 6.714 7.459 -0.745 19327 424 1 2 . 1 1 35 35 SER N N 35 110.547 110.547 112.061 -1.514 19327 425 1 2 . 1 1 35 35 SER HA H 35 4.324 4.324 4.148 0.176 19327 426 1 2 . 1 1 35 35 SER CA C 35 60.456 60.456 60.821 -0.365 19327 427 1 2 . 1 1 35 35 SER CB C 35 62.536 62.536 62.460 0.076 19327 428 1 2 . 1 1 35 35 SER H H 35 8.121 8.121 8.436 -0.315 19327 429 1 2 . 1 1 36 36 GLU N N 36 119.216 119.216 119.308 -0.092 19327 430 1 2 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.386 -0.113 19327 431 1 2 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.489 0.298 19327 432 1 2 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.669 -0.584 19327 433 1 2 . 1 1 36 36 GLU H H 36 8.305 8.305 7.826 0.479 19327 434 1 2 . 1 1 37 37 TYR N N 37 117.179 117.179 118.433 -1.254 19327 435 1 2 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.590 -0.440 19327 436 1 2 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.797 1.159 19327 437 1 2 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.825 1.415 19327 438 1 2 . 1 1 37 37 TYR H H 37 7.922 7.922 7.826 0.096 19327 439 1 2 . 1 1 38 38 THR N N 38 115.546 115.546 116.199 -0.653 19327 440 1 2 . 1 1 38 38 THR HA H 38 4.843 4.843 4.840 0.003 19327 441 1 2 . 1 1 38 38 THR CA C 38 60.454 60.454 60.149 0.305 19327 442 1 2 . 1 1 38 38 THR CB C 38 71.300 71.300 70.491 0.809 19327 443 1 2 . 1 1 38 38 THR H H 38 9.483 9.483 9.081 0.402 19327 444 1 2 . 1 1 39 39 LYS N N 39 130.415 130.415 130.937 -0.522 19327 445 1 2 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.636 0.247 19327 446 1 2 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.574 1.041 19327 447 1 2 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.741 0.849 19327 448 1 2 . 1 1 39 39 LYS H H 39 9.290 9.290 8.803 0.487 19327 449 1 2 . 1 1 40 40 ILE N N 40 122.004 122.004 122.335 -0.331 19327 450 1 2 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.420 0.138 19327 451 1 2 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.490 0.562 19327 452 1 2 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.545 0.812 19327 453 1 2 . 1 1 40 40 ILE H H 40 8.819 8.819 8.407 0.412 19327 454 1 2 . 1 1 41 41 GLY N N 41 107.582 107.582 108.507 -0.925 19327 455 1 2 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.348 -0.142 19327 456 1 2 . 1 1 41 41 GLY H H 41 7.136 7.136 7.323 -0.187 19327 457 1 2 . 1 1 42 42 THR N N 42 115.052 115.052 115.797 -0.745 19327 458 1 2 . 1 1 42 42 THR HA H 42 5.237 5.237 4.859 0.378 19327 459 1 2 . 1 1 42 42 THR CA C 42 60.959 60.959 61.838 -0.879 19327 460 1 2 . 1 1 42 42 THR CB C 42 72.255 72.255 70.993 1.262 19327 461 1 2 . 1 1 42 42 THR H H 42 8.218 8.218 8.306 -0.088 19327 462 1 2 . 1 1 43 43 ILE N N 43 118.029 118.029 120.608 -2.579 19327 463 1 2 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.759 0.028 19327 464 1 2 . 1 1 43 43 ILE CA C 43 59.552 59.552 58.947 0.605 19327 465 1 2 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.699 2.002 19327 466 1 2 . 1 1 43 43 ILE H H 43 9.129 9.129 8.908 0.221 19327 467 1 2 . 1 1 44 44 SER N N 44 113.484 113.484 114.800 -1.316 19327 468 1 2 . 1 1 44 44 SER HA H 44 5.252 5.252 4.858 0.394 19327 469 1 2 . 1 1 44 44 SER CA C 44 56.792 56.792 56.959 -0.168 19327 470 1 2 . 1 1 44 44 SER CB C 44 66.063 66.063 66.862 -0.799 19327 471 1 2 . 1 1 44 44 SER H H 44 8.335 8.335 8.016 0.319 19327 472 1 2 . 1 1 45 45 THR N N 45 113.454 113.454 113.436 0.018 19327 473 1 2 . 1 1 45 45 THR HA H 45 4.555 4.555 4.993 -0.438 19327 474 1 2 . 1 1 45 45 THR CA C 45 60.871 60.871 60.625 0.246 19327 475 1 2 . 1 1 45 45 THR CB C 45 70.060 70.060 70.035 0.025 19327 476 1 2 . 1 1 45 45 THR H H 45 8.375 8.375 8.581 -0.206 19327 477 1 2 . 1 1 46 46 THR N N 46 117.848 117.848 121.009 -3.161 19327 478 1 2 . 1 1 46 46 THR HA H 46 4.401 4.401 4.153 0.248 19327 479 1 2 . 1 1 46 46 THR CA C 46 62.097 62.097 63.296 -1.199 19327 480 1 2 . 1 1 46 46 THR CB C 46 69.387 69.387 66.960 2.427 19327 481 1 2 . 1 1 46 46 THR H H 46 8.542 8.542 8.425 0.117 19327 482 1 2 . 1 1 47 47 GLY N N 47 111.660 111.660 113.757 -2.097 19327 483 1 2 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.150 0.733 19327 484 1 2 . 1 1 47 47 GLY H H 47 8.325 8.325 7.347 0.978 19327 485 1 2 . 1 1 48 48 GLU N N 48 120.153 120.153 120.931 -0.778 19327 486 1 2 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.334 0.062 19327 487 1 2 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.489 -0.785 19327 488 1 2 . 1 1 48 48 GLU CB C 48 29.594 29.594 28.894 0.700 19327 489 1 2 . 1 1 48 48 GLU H H 48 8.437 8.437 8.449 -0.012 19327 490 1 2 . 1 1 49 49 MET N N 49 120.146 120.146 123.458 -3.312 19327 491 1 2 . 1 1 49 49 MET HA H 49 4.696 4.696 4.521 0.175 19327 492 1 2 . 1 1 49 49 MET CA C 49 55.028 55.028 54.724 0.304 19327 493 1 2 . 1 1 49 49 MET CB C 49 36.079 36.079 33.785 2.294 19327 494 1 2 . 1 1 49 49 MET H H 49 8.390 8.390 7.649 0.741 19327 495 1 2 . 1 1 50 50 SER N N 50 118.105 118.105 119.797 -1.692 19327 496 1 2 . 1 1 50 50 SER HA H 50 4.780 4.780 4.398 0.382 19327 497 1 2 . 1 1 50 50 SER CA C 50 56.822 56.822 57.846 -1.024 19327 498 1 2 . 1 1 50 50 SER CB C 50 62.631 62.631 62.912 -0.281 19327 499 1 2 . 1 1 50 50 SER H H 50 9.023 9.023 8.490 0.533 19327 500 1 2 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.120 0.121 19327 501 1 2 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.734 0.344 19327 502 1 2 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.698 0.309 19327 503 1 2 . 1 1 52 52 LEU N N 52 117.624 117.624 118.002 -0.378 19327 504 1 2 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.159 -0.047 19327 505 1 2 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.884 0.064 19327 506 1 2 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.632 0.960 19327 507 1 2 . 1 1 52 52 LEU H H 52 8.169 8.169 8.161 0.008 19327 508 1 2 . 1 1 53 53 ASP N N 53 120.042 120.042 119.761 0.281 19327 509 1 2 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.378 0.044 19327 510 1 2 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.300 -0.552 19327 511 1 2 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.596 -0.756 19327 512 1 2 . 1 1 53 53 ASP H H 53 7.515 7.515 7.808 -0.293 19327 513 1 2 . 1 1 54 54 ALA N N 54 123.542 123.542 123.303 0.239 19327 514 1 2 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.954 0.256 19327 515 1 2 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.112 -0.312 19327 516 1 2 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.436 0.005 19327 517 1 2 . 1 1 54 54 ALA H H 54 8.806 8.806 8.427 0.379 19327 518 1 2 . 1 1 55 55 ARG N N 55 117.281 117.281 118.632 -1.351 19327 519 1 2 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.944 -0.202 19327 520 1 2 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.957 0.344 19327 521 1 2 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.251 0.016 19327 522 1 2 . 1 1 55 55 ARG H H 55 7.869 7.869 7.944 -0.075 19327 523 1 2 . 1 1 56 56 GLU N N 56 116.048 116.048 118.627 -2.579 19327 524 1 2 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.990 0.019 19327 525 1 2 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.465 -0.625 19327 526 1 2 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.295 -0.605 19327 527 1 2 . 1 1 56 56 GLU H H 56 7.638 7.638 7.867 -0.229 19327 528 1 2 . 1 1 57 57 ASP N N 57 120.238 120.238 121.194 -0.956 19327 529 1 2 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.365 0.019 19327 530 1 2 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.493 -0.019 19327 531 1 2 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.799 1.733 19327 532 1 2 . 1 1 57 57 ASP H H 57 8.126 8.126 8.146 -0.020 19327 533 1 2 . 1 1 58 58 LEU N N 58 117.410 117.410 119.681 -2.271 19327 534 1 2 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.956 -0.095 19327 535 1 2 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.053 -0.457 19327 536 1 2 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.952 -0.338 19327 537 1 2 . 1 1 58 58 LEU H H 58 8.172 8.172 7.951 0.221 19327 538 1 2 . 1 1 59 59 ILE N N 59 118.841 118.841 119.640 -0.799 19327 539 1 2 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.518 -0.215 19327 540 1 2 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.734 0.023 19327 541 1 2 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.570 -0.007 19327 542 1 2 . 1 1 59 59 ILE H H 59 8.028 8.028 8.287 -0.259 19327 543 1 2 . 1 1 60 60 LYS N N 60 119.525 119.525 120.461 -0.936 19327 544 1 2 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.867 0.227 19327 545 1 2 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.116 -0.363 19327 546 1 2 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.328 -0.193 19327 547 1 2 . 1 1 60 60 LYS H H 60 7.895 7.895 8.094 -0.199 19327 548 1 2 . 1 1 61 61 LYS N N 61 119.257 119.257 117.947 1.310 19327 549 1 2 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.402 -0.415 19327 550 1 2 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.012 0.262 19327 551 1 2 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.502 1.042 19327 552 1 2 . 1 1 61 61 LYS H H 61 8.086 8.086 7.996 0.090 19327 553 1 2 . 1 1 62 62 ALA N N 62 122.326 122.326 123.087 -0.761 19327 554 1 2 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.972 -0.199 19327 555 1 2 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.305 -0.268 19327 556 1 2 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.267 0.835 19327 557 1 2 . 1 1 62 62 ALA H H 62 8.489 8.489 8.065 0.424 19327 558 1 2 . 1 1 63 63 ASP N N 63 120.381 120.381 118.827 1.554 19327 559 1 2 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.409 0.186 19327 560 1 2 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.364 -0.284 19327 561 1 2 . 1 1 63 63 ASP CB C 63 39.029 39.029 40.638 -1.609 19327 562 1 2 . 1 1 63 63 ASP H H 63 8.855 8.855 8.245 0.610 19327 563 1 2 . 1 1 64 64 GLU N N 64 121.428 121.428 119.027 2.401 19327 564 1 2 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.108 -0.031 19327 565 1 2 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.407 0.488 19327 566 1 2 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.669 -0.544 19327 567 1 2 . 1 1 64 64 GLU H H 64 8.053 8.053 7.883 0.170 19327 568 1 2 . 1 1 65 65 LYS N N 65 115.778 115.778 116.552 -0.774 19327 569 1 2 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.379 -0.059 19327 570 1 2 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.250 -0.420 19327 571 1 2 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.107 0.912 19327 572 1 2 . 1 1 65 65 LYS H H 65 7.186 7.186 7.701 -0.515 19327 573 1 2 . 1 1 66 66 GLY N N 66 107.578 107.578 108.963 -1.385 19327 574 1 2 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.488 0.334 19327 575 1 2 . 1 1 66 66 GLY H H 66 7.873 7.873 7.636 0.237 19327 576 1 2 . 1 1 67 67 ALA N N 67 119.025 119.025 121.387 -2.362 19327 577 1 2 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.602 -0.580 19327 578 1 2 . 1 1 67 67 ALA CA C 67 51.699 51.699 50.548 1.151 19327 579 1 2 . 1 1 67 67 ALA CB C 67 21.210 21.210 21.888 -0.678 19327 580 1 2 . 1 1 67 67 ALA H H 67 7.927 7.927 7.600 0.327 19327 581 1 2 . 1 1 68 68 ASP N N 68 116.686 116.686 120.935 -4.249 19327 582 1 2 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.855 0.216 19327 583 1 2 . 1 1 68 68 ASP CA C 68 56.601 56.601 56.596 0.005 19327 584 1 2 . 1 1 68 68 ASP CB C 68 45.008 45.008 43.296 1.712 19327 585 1 2 . 1 1 68 68 ASP H H 68 8.793 8.793 8.480 0.313 19327 586 1 2 . 1 1 69 69 VAL N N 69 118.623 118.623 118.577 0.046 19327 587 1 2 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.622 0.508 19327 588 1 2 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.909 -0.479 19327 589 1 2 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.474 2.129 19327 590 1 2 . 1 1 69 69 VAL H H 69 8.076 8.076 8.117 -0.041 19327 591 1 2 . 1 1 70 70 VAL N N 70 127.358 127.358 126.208 1.150 19327 592 1 2 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.303 0.257 19327 593 1 2 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.143 -1.200 19327 594 1 2 . 1 1 70 70 VAL CB C 70 34.433 34.433 33.070 1.363 19327 595 1 2 . 1 1 70 70 VAL H H 70 8.724 8.724 8.806 -0.082 19327 596 1 2 . 1 1 71 71 VAL N N 71 126.739 126.739 128.407 -1.668 19327 597 1 2 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.562 -0.006 19327 598 1 2 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.555 0.297 19327 599 1 2 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.748 2.314 19327 600 1 2 . 1 1 71 71 VAL H H 71 8.891 8.891 8.712 0.179 19327 601 1 2 . 1 1 72 72 LEU N N 72 127.581 127.581 130.260 -2.679 19327 602 1 2 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.334 0.114 19327 603 1 2 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.517 0.203 19327 604 1 2 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.533 1.098 19327 605 1 2 . 1 1 72 72 LEU H H 72 8.802 8.802 8.629 0.173 19327 606 1 2 . 1 1 73 73 THR N N 73 114.207 114.207 114.705 -0.498 19327 607 1 2 . 1 1 73 73 THR HA H 73 4.420 4.420 4.478 -0.058 19327 608 1 2 . 1 1 73 73 THR CA C 73 61.516 61.516 62.445 -0.929 19327 609 1 2 . 1 1 73 73 THR CB C 73 69.462 69.462 68.978 0.483 19327 610 1 2 . 1 1 73 73 THR H H 73 8.631 8.631 8.258 0.373 19327 611 1 2 . 1 1 74 74 SER N N 74 116.164 116.164 118.268 -2.104 19327 612 1 2 . 1 1 74 74 SER HA H 74 4.542 4.542 4.513 0.029 19327 613 1 2 . 1 1 74 74 SER CA C 74 58.066 58.066 58.026 0.040 19327 614 1 2 . 1 1 74 74 SER CB C 74 63.962 63.962 62.960 1.002 19327 615 1 2 . 1 1 74 74 SER H H 74 8.137 8.137 7.843 0.294 19327 616 1 2 . 1 1 75 75 GLY N N 75 110.048 110.048 109.166 0.882 19327 617 1 2 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.015 0.269 19327 618 1 2 . 1 1 75 75 GLY H H 75 8.574 8.574 7.925 0.649 19327 619 1 2 . 1 1 76 76 GLN N N 76 119.520 119.520 120.160 -0.640 19327 620 1 2 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.251 0.248 19327 621 1 2 . 1 1 76 76 GLN CA C 76 55.969 55.969 57.154 -1.185 19327 622 1 2 . 1 1 76 76 GLN CB C 76 29.761 29.761 29.225 0.536 19327 623 1 2 . 1 1 76 76 GLN H H 76 8.393 8.393 8.099 0.294 19327 624 1 2 . 1 1 77 77 THR N N 77 113.213 113.213 119.867 -6.654 19327 625 1 2 . 1 1 77 77 THR HA H 77 4.432 4.432 4.344 0.088 19327 626 1 2 . 1 1 77 77 THR CA C 77 61.408 61.408 62.969 -1.561 19327 627 1 2 . 1 1 77 77 THR CB C 77 69.786 69.786 69.081 0.705 19327 628 1 2 . 1 1 77 77 THR H H 77 8.105 8.105 8.432 -0.327 19327 629 1 2 . 1 1 78 78 GLU N N 78 120.912 120.912 118.621 2.291 19327 630 1 2 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.894 0.354 19327 631 1 2 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.192 -1.202 19327 632 1 2 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.923 1.866 19327 633 1 2 . 1 1 78 78 GLU H H 78 8.454 8.454 8.701 -0.247 19327 634 1 2 . 1 1 79 79 ASN N N 79 117.094 117.094 117.084 0.010 19327 635 1 2 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.566 0.039 19327 636 1 2 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.097 -1.337 19327 637 1 2 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.228 -0.497 19327 638 1 2 . 1 1 79 79 ASN H H 79 8.329 8.329 8.380 -0.051 19327 639 1 2 . 1 1 80 80 LYS N N 80 118.942 118.942 119.281 -0.339 19327 640 1 2 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.415 -0.108 19327 641 1 2 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.216 -0.100 19327 642 1 2 . 1 1 80 80 LYS CB C 80 33.378 33.378 33.132 0.246 19327 643 1 2 . 1 1 80 80 LYS H H 80 7.910 7.910 7.842 0.068 19327 644 1 2 . 1 1 81 81 ILE N N 81 119.677 119.677 120.092 -0.415 19327 645 1 2 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.646 -0.340 19327 646 1 2 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.824 0.702 19327 647 1 2 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.999 -0.949 19327 648 1 2 . 1 1 81 81 ILE H H 81 8.341 8.341 7.843 0.498 19327 649 1 2 . 1 1 82 82 HIS N N 82 121.812 121.812 125.742 -3.930 19327 650 1 2 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.411 0.365 19327 651 1 2 . 1 1 82 82 HIS CA C 82 54.684 54.684 57.717 -3.033 19327 652 1 2 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.497 -1.567 19327 653 1 2 . 1 1 82 82 HIS H H 82 8.472 8.472 8.856 -0.384 19327 654 1 2 . 1 1 83 83 GLY N N 83 111.641 111.641 105.772 5.869 19327 655 1 2 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.766 0.359 19327 656 1 2 . 1 1 83 83 GLY H H 83 8.334 8.334 8.276 0.058 19327 657 1 2 . 1 1 84 84 THR N N 84 112.460 112.460 121.040 -8.580 19327 658 1 2 . 1 1 84 84 THR HA H 84 5.037 5.037 4.867 0.170 19327 659 1 2 . 1 1 84 84 THR CA C 84 60.301 60.301 61.785 -1.484 19327 660 1 2 . 1 1 84 84 THR CB C 84 72.048 72.048 71.951 0.097 19327 661 1 2 . 1 1 84 84 THR H H 84 8.125 8.125 7.803 0.322 19327 662 1 2 . 1 1 85 85 ALA N N 85 122.513 122.513 127.015 -4.502 19327 663 1 2 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.070 -0.111 19327 664 1 2 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.125 0.145 19327 665 1 2 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.895 0.948 19327 666 1 2 . 1 1 85 85 ALA H H 85 8.841 8.841 8.986 -0.145 19327 667 1 2 . 1 1 86 86 ASP N N 86 121.651 121.651 123.192 -1.541 19327 668 1 2 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.933 0.265 19327 669 1 2 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.551 -1.074 19327 670 1 2 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.382 0.947 19327 671 1 2 . 1 1 86 86 ASP H H 86 8.506 8.506 8.256 0.250 19327 672 1 2 . 1 1 87 87 ILE N N 87 111.376 111.376 117.954 -6.578 19327 673 1 2 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.170 0.209 19327 674 1 2 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.046 -1.857 19327 675 1 2 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.139 2.249 19327 676 1 2 . 1 1 87 87 ILE H H 87 7.966 7.966 8.134 -0.168 19327 677 1 2 . 1 1 88 88 TYR N N 88 118.138 118.138 125.748 -7.610 19327 678 1 2 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.428 0.015 19327 679 1 2 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.239 0.778 19327 680 1 2 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.196 0.978 19327 681 1 2 . 1 1 88 88 TYR H H 88 8.754 8.754 9.025 -0.271 19327 682 1 2 . 1 1 89 89 LYS N N 89 123.705 123.705 119.816 3.889 19327 683 1 2 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.189 -0.012 19327 684 1 2 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.446 0.020 19327 685 1 2 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.639 0.499 19327 686 1 2 . 1 1 89 89 LYS H H 89 9.595 9.595 8.981 0.614 19327 687 1 2 . 1 1 90 90 LYS N N 90 129.328 129.328 124.332 4.996 19327 688 1 2 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.409 -0.589 19327 689 1 2 . 1 1 90 90 LYS CA C 90 57.666 57.666 55.983 1.683 19327 690 1 2 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.371 -0.544 19327 691 1 2 . 1 1 90 90 LYS H H 90 10.195 10.195 8.700 1.495 19327 692 1 2 . 1 1 91 91 LYS N N 91 126.034 126.034 127.425 -1.391 19327 693 1 2 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.138 -0.028 19327 694 1 2 . 1 1 91 91 LYS CA C 91 57.325 57.325 57.275 0.050 19327 695 1 2 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.132 1.193 19327 696 1 2 . 1 1 91 91 LYS H H 91 8.459 8.459 8.184 0.275 19327 697 1 2 . 1 1 92 92 LEU N N 92 123.360 123.360 122.335 1.025 19327 698 1 2 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.091 0.194 19327 699 1 2 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.155 -0.338 19327 700 1 2 . 1 1 92 92 LEU CB C 92 42.315 42.315 42.107 0.208 19327 701 1 2 . 1 1 92 92 LEU H H 92 8.266 8.266 8.517 -0.251 19327 702 1 2 . 1 1 93 93 GLU N N 93 121.993 121.993 119.227 2.766 19327 703 1 2 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.668 -0.444 19327 704 1 2 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.043 0.789 19327 705 1 2 . 1 1 93 93 GLU CB C 93 30.425 30.425 31.710 -1.285 19327 706 1 2 . 1 1 93 93 GLU H H 93 8.311 8.311 8.433 -0.122 19327 707 1 2 . 1 1 94 94 HIS N N 94 119.802 119.802 118.799 1.003 19327 708 1 2 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.392 0.244 19327 709 1 2 . 1 1 94 94 HIS CA C 94 55.059 55.059 58.465 -3.406 19327 710 1 2 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.983 -0.852 19327 711 1 2 . 1 1 94 94 HIS H H 94 8.567 8.567 8.995 -0.428 19327 712 1 2 . 1 1 95 95 HIS N N 95 119.430 119.430 118.827 0.603 19327 713 1 2 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.425 0.212 19327 714 1 2 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.694 -0.520 19327 715 1 2 . 1 1 95 95 HIS CB C 95 29.082 29.082 28.933 0.149 19327 716 1 2 . 1 1 95 95 HIS H H 95 8.600 8.600 8.419 0.181 19327 717 1 3 . 1 1 23 23 GLU N N 23 117.829 117.829 122.424 -4.595 19327 718 1 3 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.727 -0.014 19327 719 1 3 . 1 1 23 23 GLU C C 23 174.825 174.825 175.818 -0.993 19327 720 1 3 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.109 0.254 19327 721 1 3 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.826 0.814 19327 722 1 3 . 1 1 23 23 GLU H H 23 7.921 7.921 8.491 -0.570 19327 723 1 3 . 1 1 24 24 ILE N N 24 123.913 123.913 125.351 -1.438 19327 724 1 3 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.299 0.572 19327 725 1 3 . 1 1 24 24 ILE C C 24 176.427 176.427 176.161 0.266 19327 726 1 3 . 1 1 24 24 ILE CA C 24 60.288 60.288 61.058 -0.770 19327 727 1 3 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.063 1.195 19327 728 1 3 . 1 1 24 24 ILE H H 24 8.873 8.873 8.791 0.082 19327 729 1 3 . 1 1 25 25 MET N N 25 127.256 127.256 128.139 -0.883 19327 730 1 3 . 1 1 25 25 MET HA H 25 4.761 4.761 4.742 0.019 19327 731 1 3 . 1 1 25 25 MET C C 25 175.735 175.735 175.215 0.520 19327 732 1 3 . 1 1 25 25 MET CA C 25 54.339 54.339 53.794 0.545 19327 733 1 3 . 1 1 25 25 MET CB C 25 37.347 37.347 37.122 0.225 19327 734 1 3 . 1 1 25 25 MET H H 25 8.727 8.727 8.839 -0.112 19327 735 1 3 . 1 1 26 26 LYS N N 26 123.671 123.671 122.369 1.302 19327 736 1 3 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.283 0.032 19327 737 1 3 . 1 1 26 26 LYS C C 26 178.259 178.259 177.828 0.431 19327 738 1 3 . 1 1 26 26 LYS CA C 26 56.725 56.725 55.934 0.791 19327 739 1 3 . 1 1 26 26 LYS CB C 26 32.963 32.963 32.880 0.083 19327 740 1 3 . 1 1 26 26 LYS H H 26 9.189 9.189 8.602 0.587 19327 741 1 3 . 1 1 27 27 LYS N N 27 126.369 126.369 125.654 0.715 19327 742 1 3 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.998 -0.134 19327 743 1 3 . 1 1 27 27 LYS C C 27 177.241 177.241 178.332 -1.091 19327 744 1 3 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.689 0.898 19327 745 1 3 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.153 0.206 19327 746 1 3 . 1 1 27 27 LYS H H 27 8.871 8.871 8.216 0.655 19327 747 1 3 . 1 1 28 28 THR N N 28 107.099 107.099 113.865 -6.766 19327 748 1 3 . 1 1 28 28 THR HA H 28 4.135 4.135 4.053 0.082 19327 749 1 3 . 1 1 28 28 THR CA C 28 64.757 64.757 67.111 -2.354 19327 750 1 3 . 1 1 28 28 THR CB C 28 68.084 68.084 68.200 -0.116 19327 751 1 3 . 1 1 28 28 THR H H 28 8.110 8.110 8.360 -0.250 19327 752 1 3 . 1 1 29 29 ASP N N 29 119.543 119.543 121.226 -1.683 19327 753 1 3 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.479 0.107 19327 754 1 3 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.623 0.033 19327 755 1 3 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.933 -0.206 19327 756 1 3 . 1 1 29 29 ASP H H 29 6.779 6.779 7.673 -0.894 19327 757 1 3 . 1 1 30 30 PHE N N 30 123.437 123.437 120.242 3.195 19327 758 1 3 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.073 -0.137 19327 759 1 3 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.930 -0.068 19327 760 1 3 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.175 -0.145 19327 761 1 3 . 1 1 30 30 PHE H H 30 8.633 8.633 8.315 0.318 19327 762 1 3 . 1 1 31 31 ASP N N 31 117.040 117.040 119.496 -2.456 19327 763 1 3 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.191 -0.041 19327 764 1 3 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.882 -0.807 19327 765 1 3 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.631 -0.645 19327 766 1 3 . 1 1 31 31 ASP H H 31 8.650 8.650 8.382 0.268 19327 767 1 3 . 1 1 32 32 LYS N N 32 114.800 114.800 117.577 -2.777 19327 768 1 3 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.033 0.081 19327 769 1 3 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.867 -0.480 19327 770 1 3 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.331 0.924 19327 771 1 3 . 1 1 32 32 LYS H H 32 6.927 6.927 8.160 -1.233 19327 772 1 3 . 1 1 33 33 VAL N N 33 109.380 109.380 111.365 -1.985 19327 773 1 3 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.415 0.204 19327 774 1 3 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.156 -0.096 19327 775 1 3 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.627 0.807 19327 776 1 3 . 1 1 33 33 VAL H H 33 7.404 7.404 7.385 0.019 19327 777 1 3 . 1 1 34 34 ALA N N 34 124.530 124.530 125.651 -1.121 19327 778 1 3 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.301 -0.285 19327 779 1 3 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.022 0.242 19327 780 1 3 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.192 1.202 19327 781 1 3 . 1 1 34 34 ALA H H 34 6.714 6.714 7.467 -0.753 19327 782 1 3 . 1 1 35 35 SER N N 35 110.547 110.547 111.972 -1.425 19327 783 1 3 . 1 1 35 35 SER HA H 35 4.324 4.324 4.176 0.148 19327 784 1 3 . 1 1 35 35 SER CA C 35 60.456 60.456 60.561 -0.105 19327 785 1 3 . 1 1 35 35 SER CB C 35 62.536 62.536 62.389 0.147 19327 786 1 3 . 1 1 35 35 SER H H 35 8.121 8.121 8.402 -0.281 19327 787 1 3 . 1 1 36 36 GLU N N 36 119.216 119.216 119.690 -0.474 19327 788 1 3 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.228 0.045 19327 789 1 3 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.178 -0.392 19327 790 1 3 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.511 -0.426 19327 791 1 3 . 1 1 36 36 GLU H H 36 8.305 8.305 7.809 0.496 19327 792 1 3 . 1 1 37 37 TYR N N 37 117.179 117.179 117.328 -0.149 19327 793 1 3 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.653 -0.503 19327 794 1 3 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.674 1.282 19327 795 1 3 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.647 1.593 19327 796 1 3 . 1 1 37 37 TYR H H 37 7.922 7.922 7.684 0.238 19327 797 1 3 . 1 1 38 38 THR N N 38 115.546 115.546 116.220 -0.674 19327 798 1 3 . 1 1 38 38 THR HA H 38 4.843 4.843 4.876 -0.033 19327 799 1 3 . 1 1 38 38 THR CA C 38 60.454 60.454 59.886 0.567 19327 800 1 3 . 1 1 38 38 THR CB C 38 71.300 71.300 70.685 0.615 19327 801 1 3 . 1 1 38 38 THR H H 38 9.483 9.483 8.909 0.574 19327 802 1 3 . 1 1 39 39 LYS N N 39 130.415 130.415 130.125 0.290 19327 803 1 3 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.651 0.232 19327 804 1 3 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.605 1.010 19327 805 1 3 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.976 0.614 19327 806 1 3 . 1 1 39 39 LYS H H 39 9.290 9.290 8.727 0.563 19327 807 1 3 . 1 1 40 40 ILE N N 40 122.004 122.004 122.336 -0.332 19327 808 1 3 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.439 0.119 19327 809 1 3 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.334 0.718 19327 810 1 3 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.525 0.832 19327 811 1 3 . 1 1 40 40 ILE H H 40 8.819 8.819 8.408 0.411 19327 812 1 3 . 1 1 41 41 GLY N N 41 107.582 107.582 108.428 -0.846 19327 813 1 3 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.523 -0.317 19327 814 1 3 . 1 1 41 41 GLY H H 41 7.136 7.136 7.238 -0.102 19327 815 1 3 . 1 1 42 42 THR N N 42 115.052 115.052 115.569 -0.517 19327 816 1 3 . 1 1 42 42 THR HA H 42 5.237 5.237 4.970 0.267 19327 817 1 3 . 1 1 42 42 THR CA C 42 60.959 60.959 61.703 -0.744 19327 818 1 3 . 1 1 42 42 THR CB C 42 72.255 72.255 70.619 1.636 19327 819 1 3 . 1 1 42 42 THR H H 42 8.218 8.218 8.236 -0.018 19327 820 1 3 . 1 1 43 43 ILE N N 43 118.029 118.029 121.294 -3.265 19327 821 1 3 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.713 0.074 19327 822 1 3 . 1 1 43 43 ILE CA C 43 59.552 59.552 58.721 0.831 19327 823 1 3 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.110 1.591 19327 824 1 3 . 1 1 43 43 ILE H H 43 9.129 9.129 8.978 0.151 19327 825 1 3 . 1 1 44 44 SER N N 44 113.484 113.484 115.792 -2.308 19327 826 1 3 . 1 1 44 44 SER HA H 44 5.252 5.252 5.212 0.040 19327 827 1 3 . 1 1 44 44 SER CA C 44 56.792 56.792 55.702 1.090 19327 828 1 3 . 1 1 44 44 SER CB C 44 66.063 66.063 65.329 0.735 19327 829 1 3 . 1 1 44 44 SER H H 44 8.335 8.335 8.200 0.135 19327 830 1 3 . 1 1 45 45 THR N N 45 113.454 113.454 122.894 -9.440 19327 831 1 3 . 1 1 45 45 THR HA H 45 4.555 4.555 4.653 -0.098 19327 832 1 3 . 1 1 45 45 THR CA C 45 60.871 60.871 63.236 -2.365 19327 833 1 3 . 1 1 45 45 THR CB C 45 70.060 70.060 69.610 0.450 19327 834 1 3 . 1 1 45 45 THR H H 45 8.375 8.375 8.166 0.209 19327 835 1 3 . 1 1 46 46 THR N N 46 117.848 117.848 123.349 -5.501 19327 836 1 3 . 1 1 46 46 THR HA H 46 4.401 4.401 4.067 0.334 19327 837 1 3 . 1 1 46 46 THR CA C 46 62.097 62.097 63.347 -1.250 19327 838 1 3 . 1 1 46 46 THR CB C 46 69.387 69.387 68.254 1.133 19327 839 1 3 . 1 1 46 46 THR H H 46 8.542 8.542 8.678 -0.136 19327 840 1 3 . 1 1 47 47 GLY N N 47 111.660 111.660 114.463 -2.803 19327 841 1 3 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.330 0.553 19327 842 1 3 . 1 1 47 47 GLY H H 47 8.325 8.325 7.674 0.651 19327 843 1 3 . 1 1 48 48 GLU N N 48 120.153 120.153 120.605 -0.452 19327 844 1 3 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.647 -0.251 19327 845 1 3 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.126 -0.422 19327 846 1 3 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.531 0.063 19327 847 1 3 . 1 1 48 48 GLU H H 48 8.437 8.437 8.514 -0.077 19327 848 1 3 . 1 1 49 49 MET N N 49 120.146 120.146 123.259 -3.113 19327 849 1 3 . 1 1 49 49 MET HA H 49 4.696 4.696 4.669 0.027 19327 850 1 3 . 1 1 49 49 MET CA C 49 55.028 55.028 54.161 0.867 19327 851 1 3 . 1 1 49 49 MET CB C 49 36.079 36.079 34.949 1.130 19327 852 1 3 . 1 1 49 49 MET H H 49 8.390 8.390 8.039 0.351 19327 853 1 3 . 1 1 50 50 SER N N 50 118.105 118.105 116.069 2.036 19327 854 1 3 . 1 1 50 50 SER HA H 50 4.780 4.780 4.507 0.273 19327 855 1 3 . 1 1 50 50 SER CA C 50 56.822 56.822 57.766 -0.944 19327 856 1 3 . 1 1 50 50 SER CB C 50 62.631 62.631 62.551 0.080 19327 857 1 3 . 1 1 50 50 SER H H 50 9.023 9.023 8.455 0.568 19327 858 1 3 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.119 0.122 19327 859 1 3 . 1 1 51 51 PRO CA C 51 66.078 66.078 66.063 0.015 19327 860 1 3 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.662 0.345 19327 861 1 3 . 1 1 52 52 LEU N N 52 117.624 117.624 116.582 1.042 19327 862 1 3 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.123 -0.011 19327 863 1 3 . 1 1 52 52 LEU CA C 52 57.948 57.948 58.176 -0.228 19327 864 1 3 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.308 1.284 19327 865 1 3 . 1 1 52 52 LEU H H 52 8.169 8.169 8.207 -0.038 19327 866 1 3 . 1 1 53 53 ASP N N 53 120.042 120.042 119.713 0.329 19327 867 1 3 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.311 0.111 19327 868 1 3 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.624 -0.876 19327 869 1 3 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.179 -0.339 19327 870 1 3 . 1 1 53 53 ASP H H 53 7.515 7.515 8.500 -0.985 19327 871 1 3 . 1 1 54 54 ALA N N 54 123.542 123.542 123.045 0.497 19327 872 1 3 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.939 0.271 19327 873 1 3 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.165 -0.365 19327 874 1 3 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.575 -0.133 19327 875 1 3 . 1 1 54 54 ALA H H 54 8.806 8.806 8.360 0.446 19327 876 1 3 . 1 1 55 55 ARG N N 55 117.281 117.281 118.130 -0.849 19327 877 1 3 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.904 -0.162 19327 878 1 3 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.977 0.324 19327 879 1 3 . 1 1 55 55 ARG CB C 55 30.267 30.267 29.985 0.282 19327 880 1 3 . 1 1 55 55 ARG H H 55 7.869 7.869 7.852 0.017 19327 881 1 3 . 1 1 56 56 GLU N N 56 116.048 116.048 118.713 -2.665 19327 882 1 3 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.001 0.008 19327 883 1 3 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.247 -0.407 19327 884 1 3 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.992 -0.302 19327 885 1 3 . 1 1 56 56 GLU H H 56 7.638 7.638 8.294 -0.656 19327 886 1 3 . 1 1 57 57 ASP N N 57 120.238 120.238 120.697 -0.459 19327 887 1 3 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.434 -0.050 19327 888 1 3 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.234 0.240 19327 889 1 3 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.898 1.635 19327 890 1 3 . 1 1 57 57 ASP H H 57 8.126 8.126 7.697 0.429 19327 891 1 3 . 1 1 58 58 LEU N N 58 117.410 117.410 119.684 -2.274 19327 892 1 3 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.940 -0.079 19327 893 1 3 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.121 -0.525 19327 894 1 3 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.939 -0.325 19327 895 1 3 . 1 1 58 58 LEU H H 58 8.172 8.172 7.803 0.369 19327 896 1 3 . 1 1 59 59 ILE N N 59 118.841 118.841 119.287 -0.446 19327 897 1 3 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.513 -0.210 19327 898 1 3 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.753 0.004 19327 899 1 3 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.563 -0.000 19327 900 1 3 . 1 1 59 59 ILE H H 59 8.028 8.028 8.452 -0.424 19327 901 1 3 . 1 1 60 60 LYS N N 60 119.525 119.525 120.383 -0.858 19327 902 1 3 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.823 0.271 19327 903 1 3 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.178 -0.425 19327 904 1 3 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.318 -0.183 19327 905 1 3 . 1 1 60 60 LYS H H 60 7.895 7.895 8.055 -0.160 19327 906 1 3 . 1 1 61 61 LYS N N 61 119.257 119.257 118.498 0.759 19327 907 1 3 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.055 -0.068 19327 908 1 3 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.149 0.125 19327 909 1 3 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.445 1.099 19327 910 1 3 . 1 1 61 61 LYS H H 61 8.086 8.086 7.945 0.141 19327 911 1 3 . 1 1 62 62 ALA N N 62 122.326 122.326 122.279 0.047 19327 912 1 3 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.038 -0.265 19327 913 1 3 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.103 -0.066 19327 914 1 3 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.180 0.922 19327 915 1 3 . 1 1 62 62 ALA H H 62 8.489 8.489 8.051 0.438 19327 916 1 3 . 1 1 63 63 ASP N N 63 120.381 120.381 118.579 1.802 19327 917 1 3 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.417 0.178 19327 918 1 3 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.125 -0.045 19327 919 1 3 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.167 -2.139 19327 920 1 3 . 1 1 63 63 ASP H H 63 8.855 8.855 8.193 0.662 19327 921 1 3 . 1 1 64 64 GLU N N 64 121.428 121.428 118.660 2.768 19327 922 1 3 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.113 -0.036 19327 923 1 3 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.252 0.643 19327 924 1 3 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.408 -0.284 19327 925 1 3 . 1 1 64 64 GLU H H 64 8.053 8.053 7.910 0.143 19327 926 1 3 . 1 1 65 65 LYS N N 65 115.778 115.778 115.883 -0.105 19327 927 1 3 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.323 -0.003 19327 928 1 3 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.802 -0.972 19327 929 1 3 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.772 0.247 19327 930 1 3 . 1 1 65 65 LYS H H 65 7.186 7.186 7.810 -0.624 19327 931 1 3 . 1 1 66 66 GLY N N 66 107.578 107.578 106.192 1.386 19327 932 1 3 . 1 1 66 66 GLY CA C 66 45.822 45.822 44.982 0.840 19327 933 1 3 . 1 1 66 66 GLY H H 66 7.873 7.873 7.738 0.135 19327 934 1 3 . 1 1 67 67 ALA N N 67 119.025 119.025 122.886 -3.861 19327 935 1 3 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.182 -0.160 19327 936 1 3 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.332 -0.633 19327 937 1 3 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.537 1.673 19327 938 1 3 . 1 1 67 67 ALA H H 67 7.927 7.927 7.788 0.139 19327 939 1 3 . 1 1 68 68 ASP N N 68 116.686 116.686 122.724 -6.038 19327 940 1 3 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.756 0.315 19327 941 1 3 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.660 -1.059 19327 942 1 3 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.368 2.640 19327 943 1 3 . 1 1 68 68 ASP H H 68 8.793 8.793 8.518 0.275 19327 944 1 3 . 1 1 69 69 VAL N N 69 118.623 118.623 118.493 0.130 19327 945 1 3 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.440 0.690 19327 946 1 3 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.164 -0.734 19327 947 1 3 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.544 3.059 19327 948 1 3 . 1 1 69 69 VAL H H 69 8.076 8.076 7.967 0.109 19327 949 1 3 . 1 1 70 70 VAL N N 70 127.358 127.358 127.641 -0.283 19327 950 1 3 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.111 0.449 19327 951 1 3 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.741 -1.798 19327 952 1 3 . 1 1 70 70 VAL CB C 70 34.433 34.433 31.946 2.487 19327 953 1 3 . 1 1 70 70 VAL H H 70 8.724 8.724 8.762 -0.038 19327 954 1 3 . 1 1 71 71 VAL N N 71 126.739 126.739 128.288 -1.549 19327 955 1 3 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.338 0.218 19327 956 1 3 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.186 0.666 19327 957 1 3 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.077 2.985 19327 958 1 3 . 1 1 71 71 VAL H H 71 8.891 8.891 8.561 0.330 19327 959 1 3 . 1 1 72 72 LEU N N 72 127.581 127.581 129.742 -2.161 19327 960 1 3 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.273 0.175 19327 961 1 3 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.357 0.363 19327 962 1 3 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.770 1.861 19327 963 1 3 . 1 1 72 72 LEU H H 72 8.802 8.802 8.488 0.314 19327 964 1 3 . 1 1 73 73 THR N N 73 114.207 114.207 116.631 -2.424 19327 965 1 3 . 1 1 73 73 THR HA H 73 4.420 4.420 4.224 0.196 19327 966 1 3 . 1 1 73 73 THR CA C 73 61.516 61.516 63.255 -1.739 19327 967 1 3 . 1 1 73 73 THR CB C 73 69.462 69.462 69.134 0.328 19327 968 1 3 . 1 1 73 73 THR H H 73 8.631 8.631 8.246 0.385 19327 969 1 3 . 1 1 74 74 SER N N 74 116.164 116.164 118.341 -2.177 19327 970 1 3 . 1 1 74 74 SER HA H 74 4.542 4.542 4.604 -0.062 19327 971 1 3 . 1 1 74 74 SER CA C 74 58.066 58.066 56.702 1.364 19327 972 1 3 . 1 1 74 74 SER CB C 74 63.962 63.962 64.881 -0.919 19327 973 1 3 . 1 1 74 74 SER H H 74 8.137 8.137 7.848 0.289 19327 974 1 3 . 1 1 75 75 GLY N N 75 110.048 110.048 107.214 2.834 19327 975 1 3 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.950 -0.666 19327 976 1 3 . 1 1 75 75 GLY H H 75 8.574 8.574 8.528 0.046 19327 977 1 3 . 1 1 76 76 GLN N N 76 119.520 119.520 116.568 2.952 19327 978 1 3 . 1 1 76 76 GLN HA H 76 4.499 4.499 3.932 0.567 19327 979 1 3 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.278 -0.309 19327 980 1 3 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.626 2.135 19327 981 1 3 . 1 1 76 76 GLN H H 76 8.393 8.393 8.188 0.205 19327 982 1 3 . 1 1 77 77 THR N N 77 113.213 113.213 113.314 -0.101 19327 983 1 3 . 1 1 77 77 THR HA H 77 4.432 4.432 4.239 0.193 19327 984 1 3 . 1 1 77 77 THR CA C 77 61.408 61.408 62.638 -1.230 19327 985 1 3 . 1 1 77 77 THR CB C 77 69.786 69.786 68.376 1.410 19327 986 1 3 . 1 1 77 77 THR H H 77 8.105 8.105 8.167 -0.062 19327 987 1 3 . 1 1 78 78 GLU N N 78 120.912 120.912 115.226 5.686 19327 988 1 3 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.810 0.438 19327 989 1 3 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.445 -1.455 19327 990 1 3 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.069 1.720 19327 991 1 3 . 1 1 78 78 GLU H H 78 8.454 8.454 8.468 -0.014 19327 992 1 3 . 1 1 79 79 ASN N N 79 117.094 117.094 119.715 -2.621 19327 993 1 3 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.655 -0.050 19327 994 1 3 . 1 1 79 79 ASN CA C 79 53.760 53.760 53.083 0.677 19327 995 1 3 . 1 1 79 79 ASN CB C 79 38.731 38.731 37.998 0.733 19327 996 1 3 . 1 1 79 79 ASN H H 79 8.329 8.329 8.031 0.298 19327 997 1 3 . 1 1 80 80 LYS N N 80 118.942 118.942 118.322 0.620 19327 998 1 3 . 1 1 80 80 LYS HA H 80 4.307 4.307 3.948 0.359 19327 999 1 3 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.872 -0.756 19327 1000 1 3 . 1 1 80 80 LYS CB C 80 33.378 33.378 29.674 3.704 19327 1001 1 3 . 1 1 80 80 LYS H H 80 7.910 7.910 8.218 -0.308 19327 1002 1 3 . 1 1 81 81 ILE N N 81 119.677 119.677 116.300 3.377 19327 1003 1 3 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.452 -0.146 19327 1004 1 3 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.744 0.782 19327 1005 1 3 . 1 1 81 81 ILE CB C 81 40.050 40.050 38.651 1.399 19327 1006 1 3 . 1 1 81 81 ILE H H 81 8.341 8.341 8.033 0.308 19327 1007 1 3 . 1 1 82 82 HIS N N 82 121.812 121.812 124.340 -2.528 19327 1008 1 3 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.461 0.315 19327 1009 1 3 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.787 -1.103 19327 1010 1 3 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.015 -1.085 19327 1011 1 3 . 1 1 82 82 HIS H H 82 8.472 8.472 8.776 -0.304 19327 1012 1 3 . 1 1 83 83 GLY N N 83 111.641 111.641 108.257 3.384 19327 1013 1 3 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.847 0.277 19327 1014 1 3 . 1 1 83 83 GLY H H 83 8.334 8.334 8.005 0.329 19327 1015 1 3 . 1 1 84 84 THR N N 84 112.460 112.460 121.097 -8.637 19327 1016 1 3 . 1 1 84 84 THR HA H 84 5.037 5.037 5.013 0.024 19327 1017 1 3 . 1 1 84 84 THR CA C 84 60.301 60.301 61.403 -1.102 19327 1018 1 3 . 1 1 84 84 THR CB C 84 72.048 72.048 71.637 0.411 19327 1019 1 3 . 1 1 84 84 THR H H 84 8.125 8.125 8.220 -0.095 19327 1020 1 3 . 1 1 85 85 ALA N N 85 122.513 122.513 128.138 -5.625 19327 1021 1 3 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.196 -0.237 19327 1022 1 3 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.797 0.473 19327 1023 1 3 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.712 1.131 19327 1024 1 3 . 1 1 85 85 ALA H H 85 8.841 8.841 8.979 -0.138 19327 1025 1 3 . 1 1 86 86 ASP N N 86 121.651 121.651 125.071 -3.420 19327 1026 1 3 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.936 0.262 19327 1027 1 3 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.096 -0.619 19327 1028 1 3 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.130 1.199 19327 1029 1 3 . 1 1 86 86 ASP H H 86 8.506 8.506 8.261 0.245 19327 1030 1 3 . 1 1 87 87 ILE N N 87 111.376 111.376 118.422 -7.046 19327 1031 1 3 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.054 0.325 19327 1032 1 3 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.969 -1.780 19327 1033 1 3 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.426 1.963 19327 1034 1 3 . 1 1 87 87 ILE H H 87 7.966 7.966 8.222 -0.256 19327 1035 1 3 . 1 1 88 88 TYR N N 88 118.138 118.138 125.233 -7.095 19327 1036 1 3 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.282 0.161 19327 1037 1 3 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.731 0.286 19327 1038 1 3 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.377 0.797 19327 1039 1 3 . 1 1 88 88 TYR H H 88 8.754 8.754 9.062 -0.308 19327 1040 1 3 . 1 1 89 89 LYS N N 89 123.705 123.705 121.704 2.001 19327 1041 1 3 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.088 0.089 19327 1042 1 3 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.108 0.358 19327 1043 1 3 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.393 1.745 19327 1044 1 3 . 1 1 89 89 LYS H H 89 9.595 9.595 8.866 0.729 19327 1045 1 3 . 1 1 90 90 LYS N N 90 129.328 129.328 128.266 1.062 19327 1046 1 3 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.508 -0.688 19327 1047 1 3 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.157 1.509 19327 1048 1 3 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.804 0.023 19327 1049 1 3 . 1 1 90 90 LYS H H 90 10.195 10.195 8.962 1.233 19327 1050 1 3 . 1 1 91 91 LYS N N 91 126.034 126.034 127.824 -1.790 19327 1051 1 3 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.192 -0.082 19327 1052 1 3 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.823 0.502 19327 1053 1 3 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.735 1.590 19327 1054 1 3 . 1 1 91 91 LYS H H 91 8.459 8.459 8.050 0.409 19327 1055 1 3 . 1 1 92 92 LEU N N 92 123.360 123.360 122.718 0.642 19327 1056 1 3 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.074 0.211 19327 1057 1 3 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.388 -0.571 19327 1058 1 3 . 1 1 92 92 LEU CB C 92 42.315 42.315 40.380 1.935 19327 1059 1 3 . 1 1 92 92 LEU H H 92 8.266 8.266 8.701 -0.435 19327 1060 1 3 . 1 1 93 93 GLU N N 93 121.993 121.993 123.257 -1.264 19327 1061 1 3 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.096 0.128 19327 1062 1 3 . 1 1 93 93 GLU CA C 93 55.832 55.832 58.328 -2.496 19327 1063 1 3 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.004 0.421 19327 1064 1 3 . 1 1 93 93 GLU H H 93 8.311 8.311 9.044 -0.733 19327 1065 1 3 . 1 1 94 94 HIS N N 94 119.802 119.802 117.391 2.411 19327 1066 1 3 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.581 0.055 19327 1067 1 3 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.197 -1.138 19327 1068 1 3 . 1 1 94 94 HIS CB C 94 29.131 29.131 31.092 -1.961 19327 1069 1 3 . 1 1 94 94 HIS H H 94 8.567 8.567 7.925 0.642 19327 1070 1 3 . 1 1 95 95 HIS N N 95 119.430 119.430 118.478 0.952 19327 1071 1 3 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.605 0.032 19327 1072 1 3 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.459 -1.285 19327 1073 1 3 . 1 1 95 95 HIS CB C 95 29.082 29.082 30.709 -1.627 19327 1074 1 3 . 1 1 95 95 HIS H H 95 8.600 8.600 8.351 0.249 19327 1075 1 4 . 1 1 23 23 GLU N N 23 117.829 117.829 123.806 -5.977 19327 1076 1 4 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.606 0.107 19327 1077 1 4 . 1 1 23 23 GLU C C 23 174.825 174.825 175.733 -0.908 19327 1078 1 4 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.290 0.073 19327 1079 1 4 . 1 1 23 23 GLU CB C 23 32.640 32.640 30.775 1.865 19327 1080 1 4 . 1 1 23 23 GLU H H 23 7.921 7.921 8.474 -0.553 19327 1081 1 4 . 1 1 24 24 ILE N N 24 123.913 123.913 126.206 -2.293 19327 1082 1 4 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.177 0.694 19327 1083 1 4 . 1 1 24 24 ILE C C 24 176.427 176.427 175.982 0.445 19327 1084 1 4 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.666 -0.378 19327 1085 1 4 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.552 1.706 19327 1086 1 4 . 1 1 24 24 ILE H H 24 8.873 8.873 8.749 0.124 19327 1087 1 4 . 1 1 25 25 MET N N 25 127.256 127.256 128.278 -1.022 19327 1088 1 4 . 1 1 25 25 MET HA H 25 4.761 4.761 4.717 0.044 19327 1089 1 4 . 1 1 25 25 MET C C 25 175.735 175.735 175.081 0.654 19327 1090 1 4 . 1 1 25 25 MET CA C 25 54.339 54.339 54.368 -0.029 19327 1091 1 4 . 1 1 25 25 MET CB C 25 37.347 37.347 36.232 1.115 19327 1092 1 4 . 1 1 25 25 MET H H 25 8.727 8.727 8.779 -0.052 19327 1093 1 4 . 1 1 26 26 LYS N N 26 123.671 123.671 123.327 0.344 19327 1094 1 4 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.361 -0.046 19327 1095 1 4 . 1 1 26 26 LYS C C 26 178.259 178.259 177.461 0.798 19327 1096 1 4 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.665 0.060 19327 1097 1 4 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.171 -0.208 19327 1098 1 4 . 1 1 26 26 LYS H H 26 9.189 9.189 8.762 0.427 19327 1099 1 4 . 1 1 27 27 LYS N N 27 126.369 126.369 122.148 4.221 19327 1100 1 4 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.041 -0.177 19327 1101 1 4 . 1 1 27 27 LYS C C 27 177.241 177.241 178.625 -1.384 19327 1102 1 4 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.612 0.975 19327 1103 1 4 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.098 0.261 19327 1104 1 4 . 1 1 27 27 LYS H H 27 8.871 8.871 8.291 0.580 19327 1105 1 4 . 1 1 28 28 THR N N 28 107.099 107.099 113.340 -6.241 19327 1106 1 4 . 1 1 28 28 THR HA H 28 4.135 4.135 4.157 -0.022 19327 1107 1 4 . 1 1 28 28 THR CA C 28 64.757 64.757 66.948 -2.191 19327 1108 1 4 . 1 1 28 28 THR CB C 28 68.084 68.084 68.234 -0.150 19327 1109 1 4 . 1 1 28 28 THR H H 28 8.110 8.110 8.578 -0.468 19327 1110 1 4 . 1 1 29 29 ASP N N 29 119.543 119.543 120.675 -1.132 19327 1111 1 4 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.478 0.108 19327 1112 1 4 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.009 -0.353 19327 1113 1 4 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.565 0.162 19327 1114 1 4 . 1 1 29 29 ASP H H 29 6.779 6.779 7.691 -0.912 19327 1115 1 4 . 1 1 30 30 PHE N N 30 123.437 123.437 121.687 1.750 19327 1116 1 4 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.162 -0.226 19327 1117 1 4 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.326 0.536 19327 1118 1 4 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.270 -0.240 19327 1119 1 4 . 1 1 30 30 PHE H H 30 8.633 8.633 8.116 0.517 19327 1120 1 4 . 1 1 31 31 ASP N N 31 117.040 117.040 118.940 -1.900 19327 1121 1 4 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.125 0.025 19327 1122 1 4 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.554 -0.479 19327 1123 1 4 . 1 1 31 31 ASP CB C 31 39.986 39.986 39.937 0.049 19327 1124 1 4 . 1 1 31 31 ASP H H 31 8.650 8.650 8.375 0.275 19327 1125 1 4 . 1 1 32 32 LYS N N 32 114.800 114.800 119.067 -4.267 19327 1126 1 4 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.051 0.063 19327 1127 1 4 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.484 -0.097 19327 1128 1 4 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.298 0.957 19327 1129 1 4 . 1 1 32 32 LYS H H 32 6.927 6.927 7.772 -0.845 19327 1130 1 4 . 1 1 33 33 VAL N N 33 109.380 109.380 111.908 -2.528 19327 1131 1 4 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.412 0.207 19327 1132 1 4 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.141 -0.081 19327 1133 1 4 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.236 1.198 19327 1134 1 4 . 1 1 33 33 VAL H H 33 7.404 7.404 7.444 -0.040 19327 1135 1 4 . 1 1 34 34 ALA N N 34 124.530 124.530 126.154 -1.624 19327 1136 1 4 . 1 1 34 34 ALA HA H 34 3.016 3.016 2.843 0.173 19327 1137 1 4 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.042 0.222 19327 1138 1 4 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.000 1.394 19327 1139 1 4 . 1 1 34 34 ALA H H 34 6.714 6.714 7.593 -0.879 19327 1140 1 4 . 1 1 35 35 SER N N 35 110.547 110.547 111.725 -1.178 19327 1141 1 4 . 1 1 35 35 SER HA H 35 4.324 4.324 4.177 0.147 19327 1142 1 4 . 1 1 35 35 SER CA C 35 60.456 60.456 61.109 -0.653 19327 1143 1 4 . 1 1 35 35 SER CB C 35 62.536 62.536 62.588 -0.052 19327 1144 1 4 . 1 1 35 35 SER H H 35 8.121 8.121 8.487 -0.366 19327 1145 1 4 . 1 1 36 36 GLU N N 36 119.216 119.216 117.997 1.219 19327 1146 1 4 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.292 -0.019 19327 1147 1 4 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.295 0.492 19327 1148 1 4 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.635 -0.550 19327 1149 1 4 . 1 1 36 36 GLU H H 36 8.305 8.305 7.640 0.665 19327 1150 1 4 . 1 1 37 37 TYR N N 37 117.179 117.179 117.987 -0.808 19327 1151 1 4 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.609 -0.459 19327 1152 1 4 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.854 1.102 19327 1153 1 4 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.459 1.781 19327 1154 1 4 . 1 1 37 37 TYR H H 37 7.922 7.922 7.832 0.090 19327 1155 1 4 . 1 1 38 38 THR N N 38 115.546 115.546 118.045 -2.499 19327 1156 1 4 . 1 1 38 38 THR HA H 38 4.843 4.843 4.838 0.005 19327 1157 1 4 . 1 1 38 38 THR CA C 38 60.454 60.454 59.961 0.493 19327 1158 1 4 . 1 1 38 38 THR CB C 38 71.300 71.300 70.540 0.760 19327 1159 1 4 . 1 1 38 38 THR H H 38 9.483 9.483 9.196 0.287 19327 1160 1 4 . 1 1 39 39 LYS N N 39 130.415 130.415 130.453 -0.038 19327 1161 1 4 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.301 0.582 19327 1162 1 4 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.564 1.051 19327 1163 1 4 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.779 0.812 19327 1164 1 4 . 1 1 39 39 LYS H H 39 9.290 9.290 8.784 0.506 19327 1165 1 4 . 1 1 40 40 ILE N N 40 122.004 122.004 122.297 -0.293 19327 1166 1 4 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.401 0.157 19327 1167 1 4 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.529 0.523 19327 1168 1 4 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.637 0.720 19327 1169 1 4 . 1 1 40 40 ILE H H 40 8.819 8.819 8.314 0.505 19327 1170 1 4 . 1 1 41 41 GLY N N 41 107.582 107.582 108.414 -0.832 19327 1171 1 4 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.373 -0.167 19327 1172 1 4 . 1 1 41 41 GLY H H 41 7.136 7.136 7.318 -0.182 19327 1173 1 4 . 1 1 42 42 THR N N 42 115.052 115.052 115.621 -0.569 19327 1174 1 4 . 1 1 42 42 THR HA H 42 5.237 5.237 4.726 0.511 19327 1175 1 4 . 1 1 42 42 THR CA C 42 60.959 60.959 61.836 -0.877 19327 1176 1 4 . 1 1 42 42 THR CB C 42 72.255 72.255 71.109 1.147 19327 1177 1 4 . 1 1 42 42 THR H H 42 8.218 8.218 8.295 -0.077 19327 1178 1 4 . 1 1 43 43 ILE N N 43 118.029 118.029 121.631 -3.602 19327 1179 1 4 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.892 -0.105 19327 1180 1 4 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.328 0.224 19327 1181 1 4 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.707 1.994 19327 1182 1 4 . 1 1 43 43 ILE H H 43 9.129 9.129 8.901 0.228 19327 1183 1 4 . 1 1 44 44 SER N N 44 113.484 113.484 114.919 -1.435 19327 1184 1 4 . 1 1 44 44 SER HA H 44 5.252 5.252 4.835 0.417 19327 1185 1 4 . 1 1 44 44 SER CA C 44 56.792 56.792 57.081 -0.290 19327 1186 1 4 . 1 1 44 44 SER CB C 44 66.063 66.063 66.394 -0.331 19327 1187 1 4 . 1 1 44 44 SER H H 44 8.335 8.335 8.289 0.046 19327 1188 1 4 . 1 1 45 45 THR N N 45 113.454 113.454 113.724 -0.270 19327 1189 1 4 . 1 1 45 45 THR HA H 45 4.555 4.555 4.927 -0.372 19327 1190 1 4 . 1 1 45 45 THR CA C 45 60.871 60.871 60.955 -0.084 19327 1191 1 4 . 1 1 45 45 THR CB C 45 70.060 70.060 69.807 0.253 19327 1192 1 4 . 1 1 45 45 THR H H 45 8.375 8.375 8.055 0.320 19327 1193 1 4 . 1 1 46 46 THR N N 46 117.848 117.848 116.153 1.695 19327 1194 1 4 . 1 1 46 46 THR HA H 46 4.401 4.401 4.227 0.174 19327 1195 1 4 . 1 1 46 46 THR CA C 46 62.097 62.097 63.960 -1.863 19327 1196 1 4 . 1 1 46 46 THR CB C 46 69.387 69.387 69.037 0.350 19327 1197 1 4 . 1 1 46 46 THR H H 46 8.542 8.542 8.573 -0.031 19327 1198 1 4 . 1 1 47 47 GLY N N 47 111.660 111.660 109.171 2.489 19327 1199 1 4 . 1 1 47 47 GLY CA C 47 44.883 44.883 45.038 -0.155 19327 1200 1 4 . 1 1 47 47 GLY H H 47 8.325 8.325 7.372 0.953 19327 1201 1 4 . 1 1 48 48 GLU N N 48 120.153 120.153 121.297 -1.144 19327 1202 1 4 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.508 -0.112 19327 1203 1 4 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.132 -0.428 19327 1204 1 4 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.066 0.528 19327 1205 1 4 . 1 1 48 48 GLU H H 48 8.437 8.437 8.528 -0.091 19327 1206 1 4 . 1 1 49 49 MET N N 49 120.146 120.146 121.269 -1.123 19327 1207 1 4 . 1 1 49 49 MET HA H 49 4.696 4.696 4.637 0.059 19327 1208 1 4 . 1 1 49 49 MET CA C 49 55.028 55.028 54.333 0.695 19327 1209 1 4 . 1 1 49 49 MET CB C 49 36.079 36.079 35.002 1.077 19327 1210 1 4 . 1 1 49 49 MET H H 49 8.390 8.390 7.600 0.790 19327 1211 1 4 . 1 1 50 50 SER N N 50 118.105 118.105 118.007 0.098 19327 1212 1 4 . 1 1 50 50 SER HA H 50 4.780 4.780 4.416 0.364 19327 1213 1 4 . 1 1 50 50 SER CA C 50 56.822 56.822 57.347 -0.525 19327 1214 1 4 . 1 1 50 50 SER CB C 50 62.631 62.631 63.100 -0.469 19327 1215 1 4 . 1 1 50 50 SER H H 50 9.023 9.023 8.480 0.543 19327 1216 1 4 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.300 -0.059 19327 1217 1 4 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.769 0.309 19327 1218 1 4 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.861 0.146 19327 1219 1 4 . 1 1 52 52 LEU N N 52 117.624 117.624 117.721 -0.097 19327 1220 1 4 . 1 1 52 52 LEU HA H 52 4.112 4.112 3.969 0.143 19327 1221 1 4 . 1 1 52 52 LEU CA C 52 57.948 57.948 58.116 -0.168 19327 1222 1 4 . 1 1 52 52 LEU CB C 52 41.592 41.592 41.633 -0.042 19327 1223 1 4 . 1 1 52 52 LEU H H 52 8.169 8.169 7.985 0.184 19327 1224 1 4 . 1 1 53 53 ASP N N 53 120.042 120.042 118.810 1.232 19327 1225 1 4 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.297 0.125 19327 1226 1 4 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.508 -0.760 19327 1227 1 4 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.617 -0.777 19327 1228 1 4 . 1 1 53 53 ASP H H 53 7.515 7.515 7.883 -0.368 19327 1229 1 4 . 1 1 54 54 ALA N N 54 123.542 123.542 122.390 1.152 19327 1230 1 4 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.036 0.174 19327 1231 1 4 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.861 -0.062 19327 1232 1 4 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.582 -0.140 19327 1233 1 4 . 1 1 54 54 ALA H H 54 8.806 8.806 8.125 0.681 19327 1234 1 4 . 1 1 55 55 ARG N N 55 117.281 117.281 118.634 -1.353 19327 1235 1 4 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.866 -0.124 19327 1236 1 4 . 1 1 55 55 ARG CA C 55 60.301 60.301 60.141 0.160 19327 1237 1 4 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.097 0.170 19327 1238 1 4 . 1 1 55 55 ARG H H 55 7.869 7.869 8.138 -0.269 19327 1239 1 4 . 1 1 56 56 GLU N N 56 116.048 116.048 118.043 -1.995 19327 1240 1 4 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.000 0.009 19327 1241 1 4 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.859 -0.019 19327 1242 1 4 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.824 -0.134 19327 1243 1 4 . 1 1 56 56 GLU H H 56 7.638 7.638 8.140 -0.502 19327 1244 1 4 . 1 1 57 57 ASP N N 57 120.238 120.238 120.820 -0.582 19327 1245 1 4 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.428 -0.044 19327 1246 1 4 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.129 0.345 19327 1247 1 4 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.869 1.663 19327 1248 1 4 . 1 1 57 57 ASP H H 57 8.126 8.126 7.694 0.432 19327 1249 1 4 . 1 1 58 58 LEU N N 58 117.410 117.410 119.162 -1.752 19327 1250 1 4 . 1 1 58 58 LEU HA H 58 3.861 3.861 4.037 -0.176 19327 1251 1 4 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.641 -0.045 19327 1252 1 4 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.924 -0.310 19327 1253 1 4 . 1 1 58 58 LEU H H 58 8.172 8.172 7.917 0.255 19327 1254 1 4 . 1 1 59 59 ILE N N 59 118.841 118.841 120.646 -1.805 19327 1255 1 4 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.510 -0.207 19327 1256 1 4 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.846 -0.089 19327 1257 1 4 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.599 -0.036 19327 1258 1 4 . 1 1 59 59 ILE H H 59 8.028 8.028 8.421 -0.393 19327 1259 1 4 . 1 1 60 60 LYS N N 60 119.525 119.525 120.364 -0.839 19327 1260 1 4 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.900 0.194 19327 1261 1 4 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.110 -0.357 19327 1262 1 4 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.267 -0.132 19327 1263 1 4 . 1 1 60 60 LYS H H 60 7.895 7.895 8.051 -0.156 19327 1264 1 4 . 1 1 61 61 LYS N N 61 119.257 119.257 118.736 0.521 19327 1265 1 4 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.003 -0.016 19327 1266 1 4 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.320 -0.046 19327 1267 1 4 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.400 1.144 19327 1268 1 4 . 1 1 61 61 LYS H H 61 8.086 8.086 7.925 0.161 19327 1269 1 4 . 1 1 62 62 ALA N N 62 122.326 122.326 121.467 0.859 19327 1270 1 4 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.973 -0.200 19327 1271 1 4 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.198 -0.161 19327 1272 1 4 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.462 0.640 19327 1273 1 4 . 1 1 62 62 ALA H H 62 8.489 8.489 7.986 0.503 19327 1274 1 4 . 1 1 63 63 ASP N N 63 120.381 120.381 118.831 1.550 19327 1275 1 4 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.340 0.255 19327 1276 1 4 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.148 -0.068 19327 1277 1 4 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.178 -2.149 19327 1278 1 4 . 1 1 63 63 ASP H H 63 8.855 8.855 8.290 0.565 19327 1279 1 4 . 1 1 64 64 GLU N N 64 121.428 121.428 119.337 2.091 19327 1280 1 4 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.079 -0.002 19327 1281 1 4 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.621 0.274 19327 1282 1 4 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.626 -0.502 19327 1283 1 4 . 1 1 64 64 GLU H H 64 8.053 8.053 7.822 0.231 19327 1284 1 4 . 1 1 65 65 LYS N N 65 115.778 115.778 115.335 0.443 19327 1285 1 4 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.327 -0.007 19327 1286 1 4 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.382 -0.552 19327 1287 1 4 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.279 0.740 19327 1288 1 4 . 1 1 65 65 LYS H H 65 7.186 7.186 7.753 -0.567 19327 1289 1 4 . 1 1 66 66 GLY N N 66 107.578 107.578 107.048 0.530 19327 1290 1 4 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.514 0.308 19327 1291 1 4 . 1 1 66 66 GLY H H 66 7.873 7.873 7.634 0.239 19327 1292 1 4 . 1 1 67 67 ALA N N 67 119.025 119.025 122.654 -3.629 19327 1293 1 4 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.131 -0.109 19327 1294 1 4 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.540 -0.841 19327 1295 1 4 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.404 1.806 19327 1296 1 4 . 1 1 67 67 ALA H H 67 7.927 7.927 7.752 0.175 19327 1297 1 4 . 1 1 68 68 ASP N N 68 116.686 116.686 124.116 -7.430 19327 1298 1 4 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.591 0.480 19327 1299 1 4 . 1 1 68 68 ASP CA C 68 56.601 56.601 58.408 -1.807 19327 1300 1 4 . 1 1 68 68 ASP CB C 68 45.008 45.008 41.819 3.189 19327 1301 1 4 . 1 1 68 68 ASP H H 68 8.793 8.793 8.506 0.287 19327 1302 1 4 . 1 1 69 69 VAL N N 69 118.623 118.623 117.524 1.099 19327 1303 1 4 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.468 0.662 19327 1304 1 4 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.953 -0.523 19327 1305 1 4 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.061 2.542 19327 1306 1 4 . 1 1 69 69 VAL H H 69 8.076 8.076 7.918 0.158 19327 1307 1 4 . 1 1 70 70 VAL N N 70 127.358 127.358 126.521 0.837 19327 1308 1 4 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.271 0.289 19327 1309 1 4 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.351 -1.408 19327 1310 1 4 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.266 2.167 19327 1311 1 4 . 1 1 70 70 VAL H H 70 8.724 8.724 8.848 -0.124 19327 1312 1 4 . 1 1 71 71 VAL N N 71 126.739 126.739 128.662 -1.923 19327 1313 1 4 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.491 0.065 19327 1314 1 4 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.652 0.200 19327 1315 1 4 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.590 2.473 19327 1316 1 4 . 1 1 71 71 VAL H H 71 8.891 8.891 8.607 0.284 19327 1317 1 4 . 1 1 72 72 LEU N N 72 127.581 127.581 130.685 -3.104 19327 1318 1 4 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.385 0.063 19327 1319 1 4 . 1 1 72 72 LEU CA C 72 55.720 55.720 54.958 0.762 19327 1320 1 4 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.070 1.561 19327 1321 1 4 . 1 1 72 72 LEU H H 72 8.802 8.802 8.541 0.261 19327 1322 1 4 . 1 1 73 73 THR N N 73 114.207 114.207 115.593 -1.386 19327 1323 1 4 . 1 1 73 73 THR HA H 73 4.420 4.420 4.302 0.118 19327 1324 1 4 . 1 1 73 73 THR CA C 73 61.516 61.516 62.873 -1.357 19327 1325 1 4 . 1 1 73 73 THR CB C 73 69.462 69.462 69.584 -0.122 19327 1326 1 4 . 1 1 73 73 THR H H 73 8.631 8.631 8.361 0.270 19327 1327 1 4 . 1 1 74 74 SER N N 74 116.164 116.164 114.164 2.000 19327 1328 1 4 . 1 1 74 74 SER HA H 74 4.542 4.542 4.544 -0.002 19327 1329 1 4 . 1 1 74 74 SER CA C 74 58.066 58.066 57.304 0.762 19327 1330 1 4 . 1 1 74 74 SER CB C 74 63.962 63.962 64.222 -0.260 19327 1331 1 4 . 1 1 74 74 SER H H 74 8.137 8.137 7.577 0.560 19327 1332 1 4 . 1 1 75 75 GLY N N 75 110.048 110.048 109.064 0.984 19327 1333 1 4 . 1 1 75 75 GLY CA C 75 45.284 45.284 46.429 -1.145 19327 1334 1 4 . 1 1 75 75 GLY H H 75 8.574 8.574 8.509 0.065 19327 1335 1 4 . 1 1 76 76 GLN N N 76 119.520 119.520 120.555 -1.035 19327 1336 1 4 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.066 0.433 19327 1337 1 4 . 1 1 76 76 GLN CA C 76 55.969 55.969 58.094 -2.126 19327 1338 1 4 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.787 1.974 19327 1339 1 4 . 1 1 76 76 GLN H H 76 8.393 8.393 8.500 -0.107 19327 1340 1 4 . 1 1 77 77 THR N N 77 113.213 113.213 113.009 0.204 19327 1341 1 4 . 1 1 77 77 THR HA H 77 4.432 4.432 4.200 0.232 19327 1342 1 4 . 1 1 77 77 THR CA C 77 61.408 61.408 63.178 -1.770 19327 1343 1 4 . 1 1 77 77 THR CB C 77 69.786 69.786 68.589 1.197 19327 1344 1 4 . 1 1 77 77 THR H H 77 8.105 8.105 7.781 0.324 19327 1345 1 4 . 1 1 78 78 GLU N N 78 120.912 120.912 119.740 1.172 19327 1346 1 4 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.757 0.491 19327 1347 1 4 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.035 -2.045 19327 1348 1 4 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.131 1.658 19327 1349 1 4 . 1 1 78 78 GLU H H 78 8.454 8.454 7.832 0.622 19327 1350 1 4 . 1 1 79 79 ASN N N 79 117.094 117.094 121.804 -4.710 19327 1351 1 4 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.460 0.145 19327 1352 1 4 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.250 -0.490 19327 1353 1 4 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.010 0.721 19327 1354 1 4 . 1 1 79 79 ASN H H 79 8.329 8.329 8.106 0.223 19327 1355 1 4 . 1 1 80 80 LYS N N 80 118.942 118.942 116.860 2.082 19327 1356 1 4 . 1 1 80 80 LYS HA H 80 4.307 4.307 3.922 0.385 19327 1357 1 4 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.894 -0.777 19327 1358 1 4 . 1 1 80 80 LYS CB C 80 33.378 33.378 29.863 3.515 19327 1359 1 4 . 1 1 80 80 LYS H H 80 7.910 7.910 8.214 -0.304 19327 1360 1 4 . 1 1 81 81 ILE N N 81 119.677 119.677 116.187 3.490 19327 1361 1 4 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.020 0.286 19327 1362 1 4 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.664 -0.138 19327 1363 1 4 . 1 1 81 81 ILE CB C 81 40.050 40.050 38.249 1.800 19327 1364 1 4 . 1 1 81 81 ILE H H 81 8.341 8.341 7.486 0.855 19327 1365 1 4 . 1 1 82 82 HIS N N 82 121.812 121.812 123.567 -1.755 19327 1366 1 4 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.404 0.372 19327 1367 1 4 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.789 -2.105 19327 1368 1 4 . 1 1 82 82 HIS CB C 82 28.930 28.930 29.887 -0.957 19327 1369 1 4 . 1 1 82 82 HIS H H 82 8.472 8.472 8.713 -0.241 19327 1370 1 4 . 1 1 83 83 GLY N N 83 111.641 111.641 109.278 2.363 19327 1371 1 4 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.714 0.410 19327 1372 1 4 . 1 1 83 83 GLY H H 83 8.334 8.334 7.219 1.115 19327 1373 1 4 . 1 1 84 84 THR N N 84 112.460 112.460 118.681 -6.221 19327 1374 1 4 . 1 1 84 84 THR HA H 84 5.037 5.037 4.846 0.191 19327 1375 1 4 . 1 1 84 84 THR CA C 84 60.301 60.301 61.849 -1.548 19327 1376 1 4 . 1 1 84 84 THR CB C 84 72.048 72.048 71.989 0.059 19327 1377 1 4 . 1 1 84 84 THR H H 84 8.125 8.125 7.946 0.179 19327 1378 1 4 . 1 1 85 85 ALA N N 85 122.513 122.513 126.129 -3.616 19327 1379 1 4 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.168 -0.209 19327 1380 1 4 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.758 0.512 19327 1381 1 4 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.684 1.159 19327 1382 1 4 . 1 1 85 85 ALA H H 85 8.841 8.841 8.934 -0.093 19327 1383 1 4 . 1 1 86 86 ASP N N 86 121.651 121.651 124.731 -3.080 19327 1384 1 4 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.975 0.223 19327 1385 1 4 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.360 -0.883 19327 1386 1 4 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.526 0.803 19327 1387 1 4 . 1 1 86 86 ASP H H 86 8.506 8.506 8.261 0.245 19327 1388 1 4 . 1 1 87 87 ILE N N 87 111.376 111.376 118.390 -7.014 19327 1389 1 4 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.047 0.332 19327 1390 1 4 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.297 -2.108 19327 1391 1 4 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.018 2.371 19327 1392 1 4 . 1 1 87 87 ILE H H 87 7.966 7.966 8.170 -0.204 19327 1393 1 4 . 1 1 88 88 TYR N N 88 118.138 118.138 125.966 -7.828 19327 1394 1 4 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.530 -0.087 19327 1395 1 4 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.235 0.782 19327 1396 1 4 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.968 1.206 19327 1397 1 4 . 1 1 88 88 TYR H H 88 8.754 8.754 8.946 -0.192 19327 1398 1 4 . 1 1 89 89 LYS N N 89 123.705 123.705 120.413 3.292 19327 1399 1 4 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.150 0.027 19327 1400 1 4 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.538 0.928 19327 1401 1 4 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.491 1.647 19327 1402 1 4 . 1 1 89 89 LYS H H 89 9.595 9.595 8.870 0.725 19327 1403 1 4 . 1 1 90 90 LYS N N 90 129.328 129.328 124.908 4.420 19327 1404 1 4 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.311 -0.491 19327 1405 1 4 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.669 0.997 19327 1406 1 4 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.988 -0.161 19327 1407 1 4 . 1 1 90 90 LYS H H 90 10.195 10.195 8.820 1.375 19327 1408 1 4 . 1 1 91 91 LYS N N 91 126.034 126.034 128.480 -2.446 19327 1409 1 4 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.261 -0.151 19327 1410 1 4 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.362 0.963 19327 1411 1 4 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.192 1.133 19327 1412 1 4 . 1 1 91 91 LYS H H 91 8.459 8.459 8.120 0.339 19327 1413 1 4 . 1 1 92 92 LEU N N 92 123.360 123.360 125.888 -2.528 19327 1414 1 4 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.375 -0.090 19327 1415 1 4 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.022 0.795 19327 1416 1 4 . 1 1 92 92 LEU CB C 92 42.315 42.315 42.567 -0.252 19327 1417 1 4 . 1 1 92 92 LEU H H 92 8.266 8.266 8.216 0.050 19327 1418 1 4 . 1 1 93 93 GLU N N 93 121.993 121.993 124.950 -2.957 19327 1419 1 4 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.227 -0.003 19327 1420 1 4 . 1 1 93 93 GLU CA C 93 55.832 55.832 57.031 -1.199 19327 1421 1 4 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.023 0.402 19327 1422 1 4 . 1 1 93 93 GLU H H 93 8.311 8.311 8.561 -0.250 19327 1423 1 4 . 1 1 94 94 HIS N N 94 119.802 119.802 119.645 0.157 19327 1424 1 4 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.608 0.028 19327 1425 1 4 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.205 -1.146 19327 1426 1 4 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.770 -1.639 19327 1427 1 4 . 1 1 94 94 HIS H H 94 8.567 8.567 8.630 -0.063 19327 1428 1 4 . 1 1 95 95 HIS N N 95 119.430 119.430 122.360 -2.930 19327 1429 1 4 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.824 -0.187 19327 1430 1 4 . 1 1 95 95 HIS CA C 95 55.174 55.174 54.438 0.736 19327 1431 1 4 . 1 1 95 95 HIS CB C 95 29.082 29.082 27.959 1.123 19327 1432 1 4 . 1 1 95 95 HIS H H 95 8.600 8.600 8.663 -0.063 19327 1433 1 5 . 1 1 23 23 GLU N N 23 117.829 117.829 122.807 -4.978 19327 1434 1 5 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.662 0.051 19327 1435 1 5 . 1 1 23 23 GLU C C 23 174.825 174.825 175.514 -0.689 19327 1436 1 5 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.565 -0.202 19327 1437 1 5 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.804 0.836 19327 1438 1 5 . 1 1 23 23 GLU H H 23 7.921 7.921 8.195 -0.274 19327 1439 1 5 . 1 1 24 24 ILE N N 24 123.913 123.913 123.003 0.910 19327 1440 1 5 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.954 -0.083 19327 1441 1 5 . 1 1 24 24 ILE C C 24 176.427 176.427 176.561 -0.134 19327 1442 1 5 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.085 0.203 19327 1443 1 5 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.776 0.482 19327 1444 1 5 . 1 1 24 24 ILE H H 24 8.873 8.873 8.653 0.220 19327 1445 1 5 . 1 1 25 25 MET N N 25 127.256 127.256 127.467 -0.211 19327 1446 1 5 . 1 1 25 25 MET HA H 25 4.761 4.761 4.870 -0.109 19327 1447 1 5 . 1 1 25 25 MET C C 25 175.735 175.735 174.118 1.617 19327 1448 1 5 . 1 1 25 25 MET CA C 25 54.339 54.339 54.281 0.058 19327 1449 1 5 . 1 1 25 25 MET CB C 25 37.347 37.347 36.897 0.450 19327 1450 1 5 . 1 1 25 25 MET H H 25 8.727 8.727 8.841 -0.114 19327 1451 1 5 . 1 1 26 26 LYS N N 26 123.671 123.671 118.519 5.152 19327 1452 1 5 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.681 -0.366 19327 1453 1 5 . 1 1 26 26 LYS C C 26 178.259 178.259 177.398 0.861 19327 1454 1 5 . 1 1 26 26 LYS CA C 26 56.725 56.725 55.018 1.707 19327 1455 1 5 . 1 1 26 26 LYS CB C 26 32.963 32.963 34.261 -1.298 19327 1456 1 5 . 1 1 26 26 LYS H H 26 9.189 9.189 8.413 0.776 19327 1457 1 5 . 1 1 27 27 LYS N N 27 126.369 126.369 122.257 4.112 19327 1458 1 5 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.991 -0.127 19327 1459 1 5 . 1 1 27 27 LYS C C 27 177.241 177.241 178.407 -1.166 19327 1460 1 5 . 1 1 27 27 LYS CA C 27 60.587 60.587 60.350 0.237 19327 1461 1 5 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.247 0.112 19327 1462 1 5 . 1 1 27 27 LYS H H 27 8.871 8.871 9.038 -0.167 19327 1463 1 5 . 1 1 28 28 THR N N 28 107.099 107.099 114.199 -7.100 19327 1464 1 5 . 1 1 28 28 THR HA H 28 4.135 4.135 4.084 0.051 19327 1465 1 5 . 1 1 28 28 THR CA C 28 64.757 64.757 67.396 -2.639 19327 1466 1 5 . 1 1 28 28 THR CB C 28 68.084 68.084 68.011 0.073 19327 1467 1 5 . 1 1 28 28 THR H H 28 8.110 8.110 8.317 -0.207 19327 1468 1 5 . 1 1 29 29 ASP N N 29 119.543 119.543 121.240 -1.697 19327 1469 1 5 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.425 0.161 19327 1470 1 5 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.136 -0.480 19327 1471 1 5 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.315 0.412 19327 1472 1 5 . 1 1 29 29 ASP H H 29 6.779 6.779 8.443 -1.664 19327 1473 1 5 . 1 1 30 30 PHE N N 30 123.437 123.437 119.167 4.270 19327 1474 1 5 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.225 -0.289 19327 1475 1 5 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.147 0.715 19327 1476 1 5 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.983 -0.953 19327 1477 1 5 . 1 1 30 30 PHE H H 30 8.633 8.633 8.099 0.534 19327 1478 1 5 . 1 1 31 31 ASP N N 31 117.040 117.040 120.378 -3.338 19327 1479 1 5 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.243 -0.093 19327 1480 1 5 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.622 -0.547 19327 1481 1 5 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.772 -0.786 19327 1482 1 5 . 1 1 31 31 ASP H H 31 8.650 8.650 8.376 0.274 19327 1483 1 5 . 1 1 32 32 LYS N N 32 114.800 114.800 119.152 -4.352 19327 1484 1 5 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.036 0.078 19327 1485 1 5 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.619 -0.232 19327 1486 1 5 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.702 0.553 19327 1487 1 5 . 1 1 32 32 LYS H H 32 6.927 6.927 7.559 -0.632 19327 1488 1 5 . 1 1 33 33 VAL N N 33 109.380 109.380 111.227 -1.847 19327 1489 1 5 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.505 0.114 19327 1490 1 5 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.499 -0.439 19327 1491 1 5 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.975 0.459 19327 1492 1 5 . 1 1 33 33 VAL H H 33 7.404 7.404 7.431 -0.027 19327 1493 1 5 . 1 1 34 34 ALA N N 34 124.530 124.530 125.392 -0.862 19327 1494 1 5 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.286 -0.270 19327 1495 1 5 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.096 0.168 19327 1496 1 5 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.358 1.036 19327 1497 1 5 . 1 1 34 34 ALA H H 34 6.714 6.714 7.542 -0.828 19327 1498 1 5 . 1 1 35 35 SER N N 35 110.547 110.547 112.012 -1.465 19327 1499 1 5 . 1 1 35 35 SER HA H 35 4.324 4.324 4.079 0.245 19327 1500 1 5 . 1 1 35 35 SER CA C 35 60.456 60.456 60.893 -0.437 19327 1501 1 5 . 1 1 35 35 SER CB C 35 62.536 62.536 62.222 0.314 19327 1502 1 5 . 1 1 35 35 SER H H 35 8.121 8.121 8.419 -0.298 19327 1503 1 5 . 1 1 36 36 GLU N N 36 119.216 119.216 118.317 0.899 19327 1504 1 5 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.177 0.096 19327 1505 1 5 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.393 -0.606 19327 1506 1 5 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.747 -0.662 19327 1507 1 5 . 1 1 36 36 GLU H H 36 8.305 8.305 7.683 0.622 19327 1508 1 5 . 1 1 37 37 TYR N N 37 117.179 117.179 116.976 0.203 19327 1509 1 5 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.297 -0.147 19327 1510 1 5 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.118 0.838 19327 1511 1 5 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.005 2.235 19327 1512 1 5 . 1 1 37 37 TYR H H 37 7.922 7.922 7.724 0.198 19327 1513 1 5 . 1 1 38 38 THR N N 38 115.546 115.546 117.250 -1.704 19327 1514 1 5 . 1 1 38 38 THR HA H 38 4.843 4.843 4.841 0.002 19327 1515 1 5 . 1 1 38 38 THR CA C 38 60.454 60.454 60.380 0.074 19327 1516 1 5 . 1 1 38 38 THR CB C 38 71.300 71.300 71.276 0.024 19327 1517 1 5 . 1 1 38 38 THR H H 38 9.483 9.483 9.311 0.172 19327 1518 1 5 . 1 1 39 39 LYS N N 39 130.415 130.415 130.359 0.056 19327 1519 1 5 . 1 1 39 39 LYS HA H 39 3.883 3.883 4.328 -0.445 19327 1520 1 5 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.434 1.181 19327 1521 1 5 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.430 0.160 19327 1522 1 5 . 1 1 39 39 LYS H H 39 9.290 9.290 8.966 0.324 19327 1523 1 5 . 1 1 40 40 ILE N N 40 122.004 122.004 122.519 -0.515 19327 1524 1 5 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.460 0.098 19327 1525 1 5 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.640 0.412 19327 1526 1 5 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.642 0.715 19327 1527 1 5 . 1 1 40 40 ILE H H 40 8.819 8.819 8.462 0.357 19327 1528 1 5 . 1 1 41 41 GLY N N 41 107.582 107.582 108.374 -0.792 19327 1529 1 5 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.427 -0.221 19327 1530 1 5 . 1 1 41 41 GLY H H 41 7.136 7.136 7.260 -0.124 19327 1531 1 5 . 1 1 42 42 THR N N 42 115.052 115.052 115.548 -0.496 19327 1532 1 5 . 1 1 42 42 THR HA H 42 5.237 5.237 4.909 0.328 19327 1533 1 5 . 1 1 42 42 THR CA C 42 60.959 60.959 61.643 -0.684 19327 1534 1 5 . 1 1 42 42 THR CB C 42 72.255 72.255 70.460 1.795 19327 1535 1 5 . 1 1 42 42 THR H H 42 8.218 8.218 8.212 0.006 19327 1536 1 5 . 1 1 43 43 ILE N N 43 118.029 118.029 122.912 -4.883 19327 1537 1 5 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.907 -0.120 19327 1538 1 5 . 1 1 43 43 ILE CA C 43 59.552 59.552 58.934 0.618 19327 1539 1 5 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.327 1.375 19327 1540 1 5 . 1 1 43 43 ILE H H 43 9.129 9.129 8.898 0.231 19327 1541 1 5 . 1 1 44 44 SER N N 44 113.484 113.484 115.349 -1.865 19327 1542 1 5 . 1 1 44 44 SER HA H 44 5.252 5.252 4.987 0.265 19327 1543 1 5 . 1 1 44 44 SER CA C 44 56.792 56.792 56.800 -0.008 19327 1544 1 5 . 1 1 44 44 SER CB C 44 66.063 66.063 66.350 -0.287 19327 1545 1 5 . 1 1 44 44 SER H H 44 8.335 8.335 8.222 0.113 19327 1546 1 5 . 1 1 45 45 THR N N 45 113.454 113.454 113.909 -0.455 19327 1547 1 5 . 1 1 45 45 THR HA H 45 4.555 4.555 4.584 -0.029 19327 1548 1 5 . 1 1 45 45 THR CA C 45 60.871 60.871 61.690 -0.819 19327 1549 1 5 . 1 1 45 45 THR CB C 45 70.060 70.060 69.844 0.216 19327 1550 1 5 . 1 1 45 45 THR H H 45 8.375 8.375 8.645 -0.270 19327 1551 1 5 . 1 1 46 46 THR N N 46 117.848 117.848 115.544 2.304 19327 1552 1 5 . 1 1 46 46 THR HA H 46 4.401 4.401 4.102 0.299 19327 1553 1 5 . 1 1 46 46 THR CA C 46 62.097 62.097 62.905 -0.808 19327 1554 1 5 . 1 1 46 46 THR CB C 46 69.387 69.387 67.740 1.647 19327 1555 1 5 . 1 1 46 46 THR H H 46 8.542 8.542 8.532 0.010 19327 1556 1 5 . 1 1 47 47 GLY N N 47 111.660 111.660 114.081 -2.421 19327 1557 1 5 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.147 0.736 19327 1558 1 5 . 1 1 47 47 GLY H H 47 8.325 8.325 7.653 0.672 19327 1559 1 5 . 1 1 48 48 GLU N N 48 120.153 120.153 120.745 -0.592 19327 1560 1 5 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.498 -0.102 19327 1561 1 5 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.336 -0.632 19327 1562 1 5 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.912 -0.318 19327 1563 1 5 . 1 1 48 48 GLU H H 48 8.437 8.437 8.365 0.072 19327 1564 1 5 . 1 1 49 49 MET N N 49 120.146 120.146 124.259 -4.113 19327 1565 1 5 . 1 1 49 49 MET HA H 49 4.696 4.696 4.680 0.016 19327 1566 1 5 . 1 1 49 49 MET CA C 49 55.028 55.028 53.792 1.236 19327 1567 1 5 . 1 1 49 49 MET CB C 49 36.079 36.079 35.958 0.121 19327 1568 1 5 . 1 1 49 49 MET H H 49 8.390 8.390 7.773 0.617 19327 1569 1 5 . 1 1 50 50 SER N N 50 118.105 118.105 117.330 0.775 19327 1570 1 5 . 1 1 50 50 SER HA H 50 4.780 4.780 4.468 0.312 19327 1571 1 5 . 1 1 50 50 SER CA C 50 56.822 56.822 57.593 -0.771 19327 1572 1 5 . 1 1 50 50 SER CB C 50 62.631 62.631 62.826 -0.195 19327 1573 1 5 . 1 1 50 50 SER H H 50 9.023 9.023 8.494 0.529 19327 1574 1 5 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.197 0.044 19327 1575 1 5 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.445 0.633 19327 1576 1 5 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.901 0.106 19327 1577 1 5 . 1 1 52 52 LEU N N 52 117.624 117.624 117.390 0.234 19327 1578 1 5 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.058 0.054 19327 1579 1 5 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.486 0.462 19327 1580 1 5 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.566 1.026 19327 1581 1 5 . 1 1 52 52 LEU H H 52 8.169 8.169 8.163 0.006 19327 1582 1 5 . 1 1 53 53 ASP N N 53 120.042 120.042 119.750 0.292 19327 1583 1 5 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.377 0.045 19327 1584 1 5 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.298 -0.550 19327 1585 1 5 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.748 -0.908 19327 1586 1 5 . 1 1 53 53 ASP H H 53 7.515 7.515 8.506 -0.991 19327 1587 1 5 . 1 1 54 54 ALA N N 54 123.542 123.542 122.503 1.039 19327 1588 1 5 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.978 0.232 19327 1589 1 5 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.018 -0.218 19327 1590 1 5 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.526 -0.084 19327 1591 1 5 . 1 1 54 54 ALA H H 54 8.806 8.806 8.114 0.692 19327 1592 1 5 . 1 1 55 55 ARG N N 55 117.281 117.281 119.009 -1.728 19327 1593 1 5 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.928 -0.186 19327 1594 1 5 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.969 0.332 19327 1595 1 5 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.059 0.208 19327 1596 1 5 . 1 1 55 55 ARG H H 55 7.869 7.869 7.998 -0.129 19327 1597 1 5 . 1 1 56 56 GLU N N 56 116.048 116.048 118.114 -2.066 19327 1598 1 5 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.056 -0.047 19327 1599 1 5 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.623 0.217 19327 1600 1 5 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.874 -0.184 19327 1601 1 5 . 1 1 56 56 GLU H H 56 7.638 7.638 7.883 -0.245 19327 1602 1 5 . 1 1 57 57 ASP N N 57 120.238 120.238 121.136 -0.898 19327 1603 1 5 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.406 -0.022 19327 1604 1 5 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.400 0.074 19327 1605 1 5 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.922 1.610 19327 1606 1 5 . 1 1 57 57 ASP H H 57 8.126 8.126 7.817 0.309 19327 1607 1 5 . 1 1 58 58 LEU N N 58 117.410 117.410 119.379 -1.969 19327 1608 1 5 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.936 -0.075 19327 1609 1 5 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.842 -0.246 19327 1610 1 5 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.917 -0.303 19327 1611 1 5 . 1 1 58 58 LEU H H 58 8.172 8.172 7.831 0.341 19327 1612 1 5 . 1 1 59 59 ILE N N 59 118.841 118.841 119.824 -0.983 19327 1613 1 5 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.499 -0.196 19327 1614 1 5 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.875 -0.118 19327 1615 1 5 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.517 0.046 19327 1616 1 5 . 1 1 59 59 ILE H H 59 8.028 8.028 8.650 -0.622 19327 1617 1 5 . 1 1 60 60 LYS N N 60 119.525 119.525 119.940 -0.415 19327 1618 1 5 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.915 0.179 19327 1619 1 5 . 1 1 60 60 LYS CA C 60 59.753 59.753 59.969 -0.216 19327 1620 1 5 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.256 -0.121 19327 1621 1 5 . 1 1 60 60 LYS H H 60 7.895 7.895 7.989 -0.094 19327 1622 1 5 . 1 1 61 61 LYS N N 61 119.257 119.257 118.542 0.715 19327 1623 1 5 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.023 -0.036 19327 1624 1 5 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.530 -0.256 19327 1625 1 5 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.379 1.165 19327 1626 1 5 . 1 1 61 61 LYS H H 61 8.086 8.086 7.979 0.107 19327 1627 1 5 . 1 1 62 62 ALA N N 62 122.326 122.326 121.703 0.623 19327 1628 1 5 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.043 -0.270 19327 1629 1 5 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.069 -0.032 19327 1630 1 5 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.207 0.895 19327 1631 1 5 . 1 1 62 62 ALA H H 62 8.489 8.489 8.073 0.416 19327 1632 1 5 . 1 1 63 63 ASP N N 63 120.381 120.381 118.830 1.551 19327 1633 1 5 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.433 0.162 19327 1634 1 5 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.427 -0.347 19327 1635 1 5 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.238 -2.209 19327 1636 1 5 . 1 1 63 63 ASP H H 63 8.855 8.855 8.249 0.606 19327 1637 1 5 . 1 1 64 64 GLU N N 64 121.428 121.428 119.043 2.385 19327 1638 1 5 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.116 -0.039 19327 1639 1 5 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.518 0.377 19327 1640 1 5 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.672 -0.548 19327 1641 1 5 . 1 1 64 64 GLU H H 64 8.053 8.053 7.901 0.152 19327 1642 1 5 . 1 1 65 65 LYS N N 65 115.778 115.778 116.234 -0.456 19327 1643 1 5 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.281 0.039 19327 1644 1 5 . 1 1 65 65 LYS CA C 65 54.830 54.830 56.352 -1.522 19327 1645 1 5 . 1 1 65 65 LYS CB C 65 33.019 33.019 33.014 0.005 19327 1646 1 5 . 1 1 65 65 LYS H H 65 7.186 7.186 7.786 -0.600 19327 1647 1 5 . 1 1 66 66 GLY N N 66 107.578 107.578 107.701 -0.123 19327 1648 1 5 . 1 1 66 66 GLY CA C 66 45.822 45.822 44.892 0.929 19327 1649 1 5 . 1 1 66 66 GLY H H 66 7.873 7.873 7.486 0.387 19327 1650 1 5 . 1 1 67 67 ALA N N 67 119.025 119.025 122.153 -3.128 19327 1651 1 5 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.660 -0.638 19327 1652 1 5 . 1 1 67 67 ALA CA C 67 51.699 51.699 50.456 1.243 19327 1653 1 5 . 1 1 67 67 ALA CB C 67 21.210 21.210 21.711 -0.501 19327 1654 1 5 . 1 1 67 67 ALA H H 67 7.927 7.927 7.651 0.276 19327 1655 1 5 . 1 1 68 68 ASP N N 68 116.686 116.686 121.450 -4.764 19327 1656 1 5 . 1 1 68 68 ASP HA H 68 5.071 5.071 5.043 0.028 19327 1657 1 5 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.053 -0.452 19327 1658 1 5 . 1 1 68 68 ASP CB C 68 45.008 45.008 43.211 1.797 19327 1659 1 5 . 1 1 68 68 ASP H H 68 8.793 8.793 8.544 0.249 19327 1660 1 5 . 1 1 69 69 VAL N N 69 118.623 118.623 118.377 0.246 19327 1661 1 5 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.581 0.549 19327 1662 1 5 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.346 -0.916 19327 1663 1 5 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.534 3.069 19327 1664 1 5 . 1 1 69 69 VAL H H 69 8.076 8.076 8.103 -0.027 19327 1665 1 5 . 1 1 70 70 VAL N N 70 127.358 127.358 127.329 0.029 19327 1666 1 5 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.512 0.048 19327 1667 1 5 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.325 -1.382 19327 1668 1 5 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.580 1.853 19327 1669 1 5 . 1 1 70 70 VAL H H 70 8.724 8.724 8.903 -0.179 19327 1670 1 5 . 1 1 71 71 VAL N N 71 126.739 126.739 128.312 -1.573 19327 1671 1 5 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.533 0.023 19327 1672 1 5 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.693 0.159 19327 1673 1 5 . 1 1 71 71 VAL CB C 71 34.062 34.062 32.723 1.339 19327 1674 1 5 . 1 1 71 71 VAL H H 71 8.891 8.891 8.981 -0.090 19327 1675 1 5 . 1 1 72 72 LEU N N 72 127.581 127.581 129.520 -1.939 19327 1676 1 5 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.467 -0.019 19327 1677 1 5 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.475 0.245 19327 1678 1 5 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.438 1.194 19327 1679 1 5 . 1 1 72 72 LEU H H 72 8.802 8.802 8.561 0.241 19327 1680 1 5 . 1 1 73 73 THR N N 73 114.207 114.207 119.931 -5.724 19327 1681 1 5 . 1 1 73 73 THR HA H 73 4.420 4.420 4.358 0.062 19327 1682 1 5 . 1 1 73 73 THR CA C 73 61.516 61.516 62.965 -1.449 19327 1683 1 5 . 1 1 73 73 THR CB C 73 69.462 69.462 68.561 0.901 19327 1684 1 5 . 1 1 73 73 THR H H 73 8.631 8.631 8.468 0.163 19327 1685 1 5 . 1 1 74 74 SER N N 74 116.164 116.164 115.478 0.686 19327 1686 1 5 . 1 1 74 74 SER HA H 74 4.542 4.542 4.334 0.208 19327 1687 1 5 . 1 1 74 74 SER CA C 74 58.066 58.066 60.042 -1.976 19327 1688 1 5 . 1 1 74 74 SER CB C 74 63.962 63.962 63.493 0.469 19327 1689 1 5 . 1 1 74 74 SER H H 74 8.137 8.137 7.780 0.357 19327 1690 1 5 . 1 1 75 75 GLY N N 75 110.048 110.048 110.941 -0.893 19327 1691 1 5 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.118 0.166 19327 1692 1 5 . 1 1 75 75 GLY H H 75 8.574 8.574 7.698 0.876 19327 1693 1 5 . 1 1 76 76 GLN N N 76 119.520 119.520 118.903 0.617 19327 1694 1 5 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.044 0.455 19327 1695 1 5 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.187 -0.218 19327 1696 1 5 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.430 1.331 19327 1697 1 5 . 1 1 76 76 GLN H H 76 8.393 8.393 7.903 0.490 19327 1698 1 5 . 1 1 77 77 THR N N 77 113.213 113.213 119.106 -5.893 19327 1699 1 5 . 1 1 77 77 THR HA H 77 4.432 4.432 4.488 -0.056 19327 1700 1 5 . 1 1 77 77 THR CA C 77 61.408 61.408 62.462 -1.054 19327 1701 1 5 . 1 1 77 77 THR CB C 77 69.786 69.786 69.367 0.419 19327 1702 1 5 . 1 1 77 77 THR H H 77 8.105 8.105 8.328 -0.223 19327 1703 1 5 . 1 1 78 78 GLU N N 78 120.912 120.912 119.896 1.016 19327 1704 1 5 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.792 0.456 19327 1705 1 5 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.525 -2.535 19327 1706 1 5 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.032 1.757 19327 1707 1 5 . 1 1 78 78 GLU H H 78 8.454 8.454 8.666 -0.212 19327 1708 1 5 . 1 1 79 79 ASN N N 79 117.094 117.094 119.383 -2.289 19327 1709 1 5 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.605 0.000 19327 1710 1 5 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.860 -1.100 19327 1711 1 5 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.183 -0.452 19327 1712 1 5 . 1 1 79 79 ASN H H 79 8.329 8.329 7.877 0.452 19327 1713 1 5 . 1 1 80 80 LYS N N 80 118.942 118.942 118.334 0.608 19327 1714 1 5 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.521 -0.213 19327 1715 1 5 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.624 0.492 19327 1716 1 5 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.386 0.992 19327 1717 1 5 . 1 1 80 80 LYS H H 80 7.910 7.910 7.822 0.088 19327 1718 1 5 . 1 1 81 81 ILE N N 81 119.677 119.677 116.142 3.535 19327 1719 1 5 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.556 -0.250 19327 1720 1 5 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.481 1.045 19327 1721 1 5 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.384 -0.334 19327 1722 1 5 . 1 1 81 81 ILE H H 81 8.341 8.341 7.729 0.612 19327 1723 1 5 . 1 1 82 82 HIS N N 82 121.812 121.812 121.220 0.592 19327 1724 1 5 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.761 0.015 19327 1725 1 5 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.014 -1.331 19327 1726 1 5 . 1 1 82 82 HIS CB C 82 28.930 28.930 31.535 -2.605 19327 1727 1 5 . 1 1 82 82 HIS H H 82 8.472 8.472 8.848 -0.376 19327 1728 1 5 . 1 1 83 83 GLY N N 83 111.641 111.641 107.787 3.854 19327 1729 1 5 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.826 0.298 19327 1730 1 5 . 1 1 83 83 GLY H H 83 8.334 8.334 8.122 0.212 19327 1731 1 5 . 1 1 84 84 THR N N 84 112.460 112.460 118.752 -6.292 19327 1732 1 5 . 1 1 84 84 THR HA H 84 5.037 5.037 5.074 -0.037 19327 1733 1 5 . 1 1 84 84 THR CA C 84 60.301 60.301 61.450 -1.149 19327 1734 1 5 . 1 1 84 84 THR CB C 84 72.048 72.048 71.993 0.055 19327 1735 1 5 . 1 1 84 84 THR H H 84 8.125 8.125 8.107 0.018 19327 1736 1 5 . 1 1 85 85 ALA N N 85 122.513 122.513 125.417 -2.904 19327 1737 1 5 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.009 -0.050 19327 1738 1 5 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.270 0.000 19327 1739 1 5 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.666 1.177 19327 1740 1 5 . 1 1 85 85 ALA H H 85 8.841 8.841 9.070 -0.229 19327 1741 1 5 . 1 1 86 86 ASP N N 86 121.651 121.651 124.317 -2.666 19327 1742 1 5 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.904 0.294 19327 1743 1 5 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.361 -0.883 19327 1744 1 5 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.134 1.195 19327 1745 1 5 . 1 1 86 86 ASP H H 86 8.506 8.506 8.382 0.124 19327 1746 1 5 . 1 1 87 87 ILE N N 87 111.376 111.376 117.160 -5.784 19327 1747 1 5 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.078 0.301 19327 1748 1 5 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.566 -1.377 19327 1749 1 5 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.607 1.782 19327 1750 1 5 . 1 1 87 87 ILE H H 87 7.966 7.966 8.202 -0.236 19327 1751 1 5 . 1 1 88 88 TYR N N 88 118.138 118.138 124.243 -6.105 19327 1752 1 5 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.415 0.028 19327 1753 1 5 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.315 0.702 19327 1754 1 5 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.661 1.513 19327 1755 1 5 . 1 1 88 88 TYR H H 88 8.754 8.754 8.972 -0.218 19327 1756 1 5 . 1 1 89 89 LYS N N 89 123.705 123.705 120.851 2.854 19327 1757 1 5 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.186 -0.009 19327 1758 1 5 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.910 0.556 19327 1759 1 5 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.834 1.304 19327 1760 1 5 . 1 1 89 89 LYS H H 89 9.595 9.595 9.090 0.505 19327 1761 1 5 . 1 1 90 90 LYS N N 90 129.328 129.328 125.766 3.562 19327 1762 1 5 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.148 -0.328 19327 1763 1 5 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.697 0.969 19327 1764 1 5 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.112 -0.285 19327 1765 1 5 . 1 1 90 90 LYS H H 90 10.195 10.195 8.891 1.304 19327 1766 1 5 . 1 1 91 91 LYS N N 91 126.034 126.034 126.375 -0.341 19327 1767 1 5 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.234 -0.124 19327 1768 1 5 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.909 0.416 19327 1769 1 5 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.818 0.507 19327 1770 1 5 . 1 1 91 91 LYS H H 91 8.459 8.459 7.944 0.515 19327 1771 1 5 . 1 1 92 92 LEU N N 92 123.360 123.360 122.683 0.677 19327 1772 1 5 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.150 0.135 19327 1773 1 5 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.445 0.372 19327 1774 1 5 . 1 1 92 92 LEU CB C 92 42.315 42.315 43.086 -0.771 19327 1775 1 5 . 1 1 92 92 LEU H H 92 8.266 8.266 8.359 -0.093 19327 1776 1 5 . 1 1 93 93 GLU N N 93 121.993 121.993 126.844 -4.851 19327 1777 1 5 . 1 1 93 93 GLU HA H 93 4.224 4.224 3.975 0.249 19327 1778 1 5 . 1 1 93 93 GLU CA C 93 55.832 55.832 56.462 -0.630 19327 1779 1 5 . 1 1 93 93 GLU CB C 93 30.425 30.425 29.131 1.294 19327 1780 1 5 . 1 1 93 93 GLU H H 93 8.311 8.311 8.592 -0.281 19327 1781 1 5 . 1 1 94 94 HIS N N 94 119.802 119.802 126.042 -6.240 19327 1782 1 5 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.795 -0.159 19327 1783 1 5 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.372 -0.313 19327 1784 1 5 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.195 -0.064 19327 1785 1 5 . 1 1 94 94 HIS H H 94 8.567 8.567 7.900 0.667 19327 1786 1 5 . 1 1 95 95 HIS N N 95 119.430 119.430 118.317 1.113 19327 1787 1 5 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.318 0.319 19327 1788 1 5 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.343 -1.169 19327 1789 1 5 . 1 1 95 95 HIS CB C 95 29.082 29.082 29.415 -0.333 19327 1790 1 5 . 1 1 95 95 HIS H H 95 8.600 8.600 8.016 0.584 19327 1791 1 6 . 1 1 23 23 GLU N N 23 117.829 117.829 119.544 -1.715 19327 1792 1 6 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.681 0.032 19327 1793 1 6 . 1 1 23 23 GLU C C 23 174.825 174.825 174.907 -0.082 19327 1794 1 6 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.373 -0.010 19327 1795 1 6 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.665 -0.025 19327 1796 1 6 . 1 1 23 23 GLU H H 23 7.921 7.921 8.524 -0.603 19327 1797 1 6 . 1 1 24 24 ILE N N 24 123.913 123.913 122.633 1.280 19327 1798 1 6 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.502 0.369 19327 1799 1 6 . 1 1 24 24 ILE C C 24 176.427 176.427 176.010 0.417 19327 1800 1 6 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.576 -0.288 19327 1801 1 6 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.968 0.290 19327 1802 1 6 . 1 1 24 24 ILE H H 24 8.873 8.873 8.735 0.138 19327 1803 1 6 . 1 1 25 25 MET N N 25 127.256 127.256 126.649 0.607 19327 1804 1 6 . 1 1 25 25 MET HA H 25 4.761 4.761 4.805 -0.044 19327 1805 1 6 . 1 1 25 25 MET C C 25 175.735 175.735 174.162 1.573 19327 1806 1 6 . 1 1 25 25 MET CA C 25 54.339 54.339 54.075 0.264 19327 1807 1 6 . 1 1 25 25 MET CB C 25 37.347 37.347 36.781 0.566 19327 1808 1 6 . 1 1 25 25 MET H H 25 8.727 8.727 8.860 -0.133 19327 1809 1 6 . 1 1 26 26 LYS N N 26 123.671 123.671 120.409 3.262 19327 1810 1 6 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.554 -0.239 19327 1811 1 6 . 1 1 26 26 LYS C C 26 178.259 178.259 177.315 0.944 19327 1812 1 6 . 1 1 26 26 LYS CA C 26 56.725 56.725 55.421 1.304 19327 1813 1 6 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.966 -1.003 19327 1814 1 6 . 1 1 26 26 LYS H H 26 9.189 9.189 8.556 0.633 19327 1815 1 6 . 1 1 27 27 LYS N N 27 126.369 126.369 124.235 2.134 19327 1816 1 6 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.978 -0.114 19327 1817 1 6 . 1 1 27 27 LYS C C 27 177.241 177.241 178.462 -1.221 19327 1818 1 6 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.433 1.154 19327 1819 1 6 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.030 0.329 19327 1820 1 6 . 1 1 27 27 LYS H H 27 8.871 8.871 8.782 0.089 19327 1821 1 6 . 1 1 28 28 THR N N 28 107.099 107.099 111.722 -4.623 19327 1822 1 6 . 1 1 28 28 THR HA H 28 4.135 4.135 4.082 0.053 19327 1823 1 6 . 1 1 28 28 THR CA C 28 64.757 64.757 66.148 -1.391 19327 1824 1 6 . 1 1 28 28 THR CB C 28 68.084 68.084 68.657 -0.573 19327 1825 1 6 . 1 1 28 28 THR H H 28 8.110 8.110 8.332 -0.222 19327 1826 1 6 . 1 1 29 29 ASP N N 29 119.543 119.543 120.382 -0.839 19327 1827 1 6 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.445 0.141 19327 1828 1 6 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.813 -0.158 19327 1829 1 6 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.849 -0.122 19327 1830 1 6 . 1 1 29 29 ASP H H 29 6.779 6.779 7.709 -0.930 19327 1831 1 6 . 1 1 30 30 PHE N N 30 123.437 123.437 120.499 2.938 19327 1832 1 6 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.069 -0.133 19327 1833 1 6 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.835 0.027 19327 1834 1 6 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.285 -0.255 19327 1835 1 6 . 1 1 30 30 PHE H H 30 8.633 8.633 8.322 0.311 19327 1836 1 6 . 1 1 31 31 ASP N N 31 117.040 117.040 119.548 -2.508 19327 1837 1 6 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.235 -0.085 19327 1838 1 6 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.642 -0.567 19327 1839 1 6 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.574 -0.588 19327 1840 1 6 . 1 1 31 31 ASP H H 31 8.650 8.650 8.475 0.175 19327 1841 1 6 . 1 1 32 32 LYS N N 32 114.800 114.800 118.166 -3.366 19327 1842 1 6 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.063 0.051 19327 1843 1 6 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.625 -0.238 19327 1844 1 6 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.589 0.666 19327 1845 1 6 . 1 1 32 32 LYS H H 32 6.927 6.927 7.744 -0.817 19327 1846 1 6 . 1 1 33 33 VAL N N 33 109.380 109.380 111.105 -1.725 19327 1847 1 6 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.437 0.182 19327 1848 1 6 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.535 -0.474 19327 1849 1 6 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.868 0.566 19327 1850 1 6 . 1 1 33 33 VAL H H 33 7.404 7.404 7.456 -0.052 19327 1851 1 6 . 1 1 34 34 ALA N N 34 124.530 124.530 125.255 -0.725 19327 1852 1 6 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.540 -0.524 19327 1853 1 6 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.970 0.294 19327 1854 1 6 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.221 1.173 19327 1855 1 6 . 1 1 34 34 ALA H H 34 6.714 6.714 7.627 -0.913 19327 1856 1 6 . 1 1 35 35 SER N N 35 110.547 110.547 112.839 -2.292 19327 1857 1 6 . 1 1 35 35 SER HA H 35 4.324 4.324 4.147 0.177 19327 1858 1 6 . 1 1 35 35 SER CA C 35 60.456 60.456 61.438 -0.982 19327 1859 1 6 . 1 1 35 35 SER CB C 35 62.536 62.536 62.545 -0.009 19327 1860 1 6 . 1 1 35 35 SER H H 35 8.121 8.121 8.394 -0.273 19327 1861 1 6 . 1 1 36 36 GLU N N 36 119.216 119.216 118.160 1.056 19327 1862 1 6 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.184 0.089 19327 1863 1 6 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.698 0.089 19327 1864 1 6 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.492 -0.408 19327 1865 1 6 . 1 1 36 36 GLU H H 36 8.305 8.305 7.706 0.599 19327 1866 1 6 . 1 1 37 37 TYR N N 37 117.179 117.179 117.281 -0.102 19327 1867 1 6 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.546 -0.396 19327 1868 1 6 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.892 1.064 19327 1869 1 6 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.578 1.662 19327 1870 1 6 . 1 1 37 37 TYR H H 37 7.922 7.922 7.668 0.254 19327 1871 1 6 . 1 1 38 38 THR N N 38 115.546 115.546 117.454 -1.908 19327 1872 1 6 . 1 1 38 38 THR HA H 38 4.843 4.843 4.803 0.040 19327 1873 1 6 . 1 1 38 38 THR CA C 38 60.454 60.454 60.530 -0.076 19327 1874 1 6 . 1 1 38 38 THR CB C 38 71.300 71.300 71.094 0.206 19327 1875 1 6 . 1 1 38 38 THR H H 38 9.483 9.483 9.341 0.142 19327 1876 1 6 . 1 1 39 39 LYS N N 39 130.415 130.415 130.506 -0.091 19327 1877 1 6 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.676 0.207 19327 1878 1 6 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.373 1.242 19327 1879 1 6 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.828 0.762 19327 1880 1 6 . 1 1 39 39 LYS H H 39 9.290 9.290 8.770 0.520 19327 1881 1 6 . 1 1 40 40 ILE N N 40 122.004 122.004 122.605 -0.601 19327 1882 1 6 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.403 0.155 19327 1883 1 6 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.659 0.393 19327 1884 1 6 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.686 0.671 19327 1885 1 6 . 1 1 40 40 ILE H H 40 8.819 8.819 8.360 0.459 19327 1886 1 6 . 1 1 41 41 GLY N N 41 107.582 107.582 108.200 -0.618 19327 1887 1 6 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.488 -0.282 19327 1888 1 6 . 1 1 41 41 GLY H H 41 7.136 7.136 7.349 -0.213 19327 1889 1 6 . 1 1 42 42 THR N N 42 115.052 115.052 115.179 -0.127 19327 1890 1 6 . 1 1 42 42 THR HA H 42 5.237 5.237 4.957 0.280 19327 1891 1 6 . 1 1 42 42 THR CA C 42 60.959 60.959 61.645 -0.686 19327 1892 1 6 . 1 1 42 42 THR CB C 42 72.255 72.255 70.672 1.583 19327 1893 1 6 . 1 1 42 42 THR H H 42 8.218 8.218 8.215 0.003 19327 1894 1 6 . 1 1 43 43 ILE N N 43 118.029 118.029 122.256 -4.227 19327 1895 1 6 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.865 -0.078 19327 1896 1 6 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.099 0.453 19327 1897 1 6 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.206 1.495 19327 1898 1 6 . 1 1 43 43 ILE H H 43 9.129 9.129 8.924 0.205 19327 1899 1 6 . 1 1 44 44 SER N N 44 113.484 113.484 115.230 -1.746 19327 1900 1 6 . 1 1 44 44 SER HA H 44 5.252 5.252 5.332 -0.080 19327 1901 1 6 . 1 1 44 44 SER CA C 44 56.792 56.792 57.020 -0.228 19327 1902 1 6 . 1 1 44 44 SER CB C 44 66.063 66.063 65.482 0.581 19327 1903 1 6 . 1 1 44 44 SER H H 44 8.335 8.335 8.271 0.064 19327 1904 1 6 . 1 1 45 45 THR N N 45 113.454 113.454 114.793 -1.339 19327 1905 1 6 . 1 1 45 45 THR HA H 45 4.555 4.555 4.606 -0.051 19327 1906 1 6 . 1 1 45 45 THR CA C 45 60.871 60.871 60.902 -0.031 19327 1907 1 6 . 1 1 45 45 THR CB C 45 70.060 70.060 69.797 0.263 19327 1908 1 6 . 1 1 45 45 THR H H 45 8.375 8.375 8.182 0.193 19327 1909 1 6 . 1 1 46 46 THR N N 46 117.848 117.848 119.330 -1.482 19327 1910 1 6 . 1 1 46 46 THR HA H 46 4.401 4.401 4.364 0.037 19327 1911 1 6 . 1 1 46 46 THR CA C 46 62.097 62.097 62.741 -0.644 19327 1912 1 6 . 1 1 46 46 THR CB C 46 69.387 69.387 68.283 1.104 19327 1913 1 6 . 1 1 46 46 THR H H 46 8.542 8.542 8.476 0.066 19327 1914 1 6 . 1 1 47 47 GLY N N 47 111.660 111.660 115.432 -3.772 19327 1915 1 6 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.379 0.504 19327 1916 1 6 . 1 1 47 47 GLY H H 47 8.325 8.325 8.102 0.223 19327 1917 1 6 . 1 1 48 48 GLU N N 48 120.153 120.153 120.899 -0.746 19327 1918 1 6 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.471 -0.075 19327 1919 1 6 . 1 1 48 48 GLU CA C 48 55.704 55.704 55.692 0.012 19327 1920 1 6 . 1 1 48 48 GLU CB C 48 29.594 29.594 30.720 -1.126 19327 1921 1 6 . 1 1 48 48 GLU H H 48 8.437 8.437 8.389 0.048 19327 1922 1 6 . 1 1 49 49 MET N N 49 120.146 120.146 122.039 -1.893 19327 1923 1 6 . 1 1 49 49 MET HA H 49 4.696 4.696 4.859 -0.163 19327 1924 1 6 . 1 1 49 49 MET CA C 49 55.028 55.028 53.120 1.908 19327 1925 1 6 . 1 1 49 49 MET CB C 49 36.079 36.079 33.046 3.033 19327 1926 1 6 . 1 1 49 49 MET H H 49 8.390 8.390 8.367 0.023 19327 1927 1 6 . 1 1 50 50 SER N N 50 118.105 118.105 116.829 1.276 19327 1928 1 6 . 1 1 50 50 SER HA H 50 4.780 4.780 4.976 -0.196 19327 1929 1 6 . 1 1 50 50 SER CA C 50 56.822 56.822 56.441 0.381 19327 1930 1 6 . 1 1 50 50 SER CB C 50 62.631 62.631 62.524 0.107 19327 1931 1 6 . 1 1 50 50 SER H H 50 9.023 9.023 8.407 0.616 19327 1932 1 6 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.258 -0.017 19327 1933 1 6 . 1 1 51 51 PRO CA C 51 66.078 66.078 64.995 1.083 19327 1934 1 6 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.962 0.045 19327 1935 1 6 . 1 1 52 52 LEU N N 52 117.624 117.624 119.275 -1.651 19327 1936 1 6 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.132 -0.020 19327 1937 1 6 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.879 0.069 19327 1938 1 6 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.818 0.774 19327 1939 1 6 . 1 1 52 52 LEU H H 52 8.169 8.169 7.852 0.317 19327 1940 1 6 . 1 1 53 53 ASP N N 53 120.042 120.042 119.974 0.068 19327 1941 1 6 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.531 -0.109 19327 1942 1 6 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.307 -0.559 19327 1943 1 6 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.951 -1.111 19327 1944 1 6 . 1 1 53 53 ASP H H 53 7.515 7.515 7.731 -0.216 19327 1945 1 6 . 1 1 54 54 ALA N N 54 123.542 123.542 122.848 0.694 19327 1946 1 6 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.979 0.231 19327 1947 1 6 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.105 -0.305 19327 1948 1 6 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.434 0.008 19327 1949 1 6 . 1 1 54 54 ALA H H 54 8.806 8.806 8.082 0.724 19327 1950 1 6 . 1 1 55 55 ARG N N 55 117.281 117.281 118.633 -1.352 19327 1951 1 6 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.889 -0.147 19327 1952 1 6 . 1 1 55 55 ARG CA C 55 60.301 60.301 60.138 0.163 19327 1953 1 6 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.166 0.101 19327 1954 1 6 . 1 1 55 55 ARG H H 55 7.869 7.869 8.014 -0.145 19327 1955 1 6 . 1 1 56 56 GLU N N 56 116.048 116.048 118.647 -2.599 19327 1956 1 6 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.981 0.028 19327 1957 1 6 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.326 -0.486 19327 1958 1 6 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.302 -0.612 19327 1959 1 6 . 1 1 56 56 GLU H H 56 7.638 7.638 7.997 -0.359 19327 1960 1 6 . 1 1 57 57 ASP N N 57 120.238 120.238 120.718 -0.480 19327 1961 1 6 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.441 -0.057 19327 1962 1 6 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.312 0.162 19327 1963 1 6 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.911 1.621 19327 1964 1 6 . 1 1 57 57 ASP H H 57 8.126 8.126 8.000 0.126 19327 1965 1 6 . 1 1 58 58 LEU N N 58 117.410 117.410 119.521 -2.111 19327 1966 1 6 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.968 -0.107 19327 1967 1 6 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.761 -0.165 19327 1968 1 6 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.920 -0.306 19327 1969 1 6 . 1 1 58 58 LEU H H 58 8.172 8.172 7.935 0.237 19327 1970 1 6 . 1 1 59 59 ILE N N 59 118.841 118.841 120.395 -1.554 19327 1971 1 6 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.512 -0.209 19327 1972 1 6 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.954 -0.196 19327 1973 1 6 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.530 0.033 19327 1974 1 6 . 1 1 59 59 ILE H H 59 8.028 8.028 8.598 -0.570 19327 1975 1 6 . 1 1 60 60 LYS N N 60 119.525 119.525 120.341 -0.816 19327 1976 1 6 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.880 0.214 19327 1977 1 6 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.140 -0.387 19327 1978 1 6 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.344 -0.209 19327 1979 1 6 . 1 1 60 60 LYS H H 60 7.895 7.895 7.951 -0.056 19327 1980 1 6 . 1 1 61 61 LYS N N 61 119.257 119.257 118.593 0.664 19327 1981 1 6 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.258 -0.271 19327 1982 1 6 . 1 1 61 61 LYS CA C 61 59.274 59.274 58.994 0.280 19327 1983 1 6 . 1 1 61 61 LYS CB C 61 33.544 33.544 31.900 1.644 19327 1984 1 6 . 1 1 61 61 LYS H H 61 8.086 8.086 8.092 -0.006 19327 1985 1 6 . 1 1 62 62 ALA N N 62 122.326 122.326 121.736 0.590 19327 1986 1 6 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.996 -0.223 19327 1987 1 6 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.184 -0.147 19327 1988 1 6 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.174 0.928 19327 1989 1 6 . 1 1 62 62 ALA H H 62 8.489 8.489 7.922 0.567 19327 1990 1 6 . 1 1 63 63 ASP N N 63 120.381 120.381 118.673 1.708 19327 1991 1 6 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.548 0.047 19327 1992 1 6 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.095 -0.015 19327 1993 1 6 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.143 -2.114 19327 1994 1 6 . 1 1 63 63 ASP H H 63 8.855 8.855 8.199 0.656 19327 1995 1 6 . 1 1 64 64 GLU N N 64 121.428 121.428 119.293 2.135 19327 1996 1 6 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.057 0.020 19327 1997 1 6 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.597 0.298 19327 1998 1 6 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.789 -0.665 19327 1999 1 6 . 1 1 64 64 GLU H H 64 8.053 8.053 7.983 0.070 19327 2000 1 6 . 1 1 65 65 LYS N N 65 115.778 115.778 116.484 -0.706 19327 2001 1 6 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.309 0.011 19327 2002 1 6 . 1 1 65 65 LYS CA C 65 54.830 54.830 56.230 -1.400 19327 2003 1 6 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.352 0.666 19327 2004 1 6 . 1 1 65 65 LYS H H 65 7.186 7.186 7.894 -0.708 19327 2005 1 6 . 1 1 66 66 GLY N N 66 107.578 107.578 104.833 2.745 19327 2006 1 6 . 1 1 66 66 GLY CA C 66 45.822 45.822 44.900 0.922 19327 2007 1 6 . 1 1 66 66 GLY H H 66 7.873 7.873 7.346 0.527 19327 2008 1 6 . 1 1 67 67 ALA N N 67 119.025 119.025 123.006 -3.981 19327 2009 1 6 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.216 -0.194 19327 2010 1 6 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.370 -0.671 19327 2011 1 6 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.533 1.677 19327 2012 1 6 . 1 1 67 67 ALA H H 67 7.927 7.927 7.801 0.126 19327 2013 1 6 . 1 1 68 68 ASP N N 68 116.686 116.686 122.687 -6.001 19327 2014 1 6 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.730 0.341 19327 2015 1 6 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.591 -0.990 19327 2016 1 6 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.288 2.720 19327 2017 1 6 . 1 1 68 68 ASP H H 68 8.793 8.793 8.475 0.318 19327 2018 1 6 . 1 1 69 69 VAL N N 69 118.623 118.623 118.112 0.511 19327 2019 1 6 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.457 0.673 19327 2020 1 6 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.108 -0.678 19327 2021 1 6 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.454 2.149 19327 2022 1 6 . 1 1 69 69 VAL H H 69 8.076 8.076 8.074 0.002 19327 2023 1 6 . 1 1 70 70 VAL N N 70 127.358 127.358 125.359 1.999 19327 2024 1 6 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.256 0.304 19327 2025 1 6 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.086 -1.143 19327 2026 1 6 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.819 1.614 19327 2027 1 6 . 1 1 70 70 VAL H H 70 8.724 8.724 8.936 -0.212 19327 2028 1 6 . 1 1 71 71 VAL N N 71 126.739 126.739 128.225 -1.486 19327 2029 1 6 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.212 0.344 19327 2030 1 6 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.845 0.007 19327 2031 1 6 . 1 1 71 71 VAL CB C 71 34.062 34.062 30.319 3.743 19327 2032 1 6 . 1 1 71 71 VAL H H 71 8.891 8.891 8.584 0.307 19327 2033 1 6 . 1 1 72 72 LEU N N 72 127.581 127.581 129.238 -1.657 19327 2034 1 6 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.139 0.309 19327 2035 1 6 . 1 1 72 72 LEU CA C 72 55.720 55.720 56.253 -0.533 19327 2036 1 6 . 1 1 72 72 LEU CB C 72 41.631 41.631 41.348 0.283 19327 2037 1 6 . 1 1 72 72 LEU H H 72 8.802 8.802 8.424 0.378 19327 2038 1 6 . 1 1 73 73 THR N N 73 114.207 114.207 115.873 -1.666 19327 2039 1 6 . 1 1 73 73 THR HA H 73 4.420 4.420 4.422 -0.002 19327 2040 1 6 . 1 1 73 73 THR CA C 73 61.516 61.516 62.817 -1.301 19327 2041 1 6 . 1 1 73 73 THR CB C 73 69.462 69.462 70.204 -0.742 19327 2042 1 6 . 1 1 73 73 THR H H 73 8.631 8.631 8.282 0.349 19327 2043 1 6 . 1 1 74 74 SER N N 74 116.164 116.164 117.640 -1.476 19327 2044 1 6 . 1 1 74 74 SER HA H 74 4.542 4.542 4.478 0.064 19327 2045 1 6 . 1 1 74 74 SER CA C 74 58.066 58.066 57.059 1.007 19327 2046 1 6 . 1 1 74 74 SER CB C 74 63.962 63.962 63.056 0.907 19327 2047 1 6 . 1 1 74 74 SER H H 74 8.137 8.137 7.905 0.232 19327 2048 1 6 . 1 1 75 75 GLY N N 75 110.048 110.048 109.784 0.264 19327 2049 1 6 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.248 0.036 19327 2050 1 6 . 1 1 75 75 GLY H H 75 8.574 8.574 7.831 0.743 19327 2051 1 6 . 1 1 76 76 GLN N N 76 119.520 119.520 117.584 1.936 19327 2052 1 6 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.341 0.158 19327 2053 1 6 . 1 1 76 76 GLN CA C 76 55.969 55.969 55.970 -0.001 19327 2054 1 6 . 1 1 76 76 GLN CB C 76 29.761 29.761 29.732 0.029 19327 2055 1 6 . 1 1 76 76 GLN H H 76 8.393 8.393 7.802 0.591 19327 2056 1 6 . 1 1 77 77 THR N N 77 113.213 113.213 113.705 -0.492 19327 2057 1 6 . 1 1 77 77 THR HA H 77 4.432 4.432 4.072 0.360 19327 2058 1 6 . 1 1 77 77 THR CA C 77 61.408 61.408 63.467 -2.059 19327 2059 1 6 . 1 1 77 77 THR CB C 77 69.786 69.786 68.925 0.861 19327 2060 1 6 . 1 1 77 77 THR H H 77 8.105 8.105 7.823 0.282 19327 2061 1 6 . 1 1 78 78 GLU N N 78 120.912 120.912 122.406 -1.494 19327 2062 1 6 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.972 0.276 19327 2063 1 6 . 1 1 78 78 GLU CA C 78 56.990 56.990 57.133 -0.143 19327 2064 1 6 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.922 0.866 19327 2065 1 6 . 1 1 78 78 GLU H H 78 8.454 8.454 8.468 -0.014 19327 2066 1 6 . 1 1 79 79 ASN N N 79 117.094 117.094 119.846 -2.752 19327 2067 1 6 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.697 -0.092 19327 2068 1 6 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.204 -0.444 19327 2069 1 6 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.864 -1.133 19327 2070 1 6 . 1 1 79 79 ASN H H 79 8.329 8.329 8.723 -0.394 19327 2071 1 6 . 1 1 80 80 LYS N N 80 118.942 118.942 121.607 -2.665 19327 2072 1 6 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.615 -0.308 19327 2073 1 6 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.143 -0.027 19327 2074 1 6 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.672 0.706 19327 2075 1 6 . 1 1 80 80 LYS H H 80 7.910 7.910 8.146 -0.236 19327 2076 1 6 . 1 1 81 81 ILE N N 81 119.677 119.677 119.227 0.450 19327 2077 1 6 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.534 -0.228 19327 2078 1 6 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.548 0.978 19327 2079 1 6 . 1 1 81 81 ILE CB C 81 40.050 40.050 41.109 -1.060 19327 2080 1 6 . 1 1 81 81 ILE H H 81 8.341 8.341 8.641 -0.300 19327 2081 1 6 . 1 1 82 82 HIS N N 82 121.812 121.812 115.164 6.648 19327 2082 1 6 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.707 0.069 19327 2083 1 6 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.407 -0.723 19327 2084 1 6 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.810 -1.880 19327 2085 1 6 . 1 1 82 82 HIS H H 82 8.472 8.472 8.205 0.267 19327 2086 1 6 . 1 1 83 83 GLY N N 83 111.641 111.641 110.715 0.926 19327 2087 1 6 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.948 -0.824 19327 2088 1 6 . 1 1 83 83 GLY H H 83 8.334 8.334 8.384 -0.050 19327 2089 1 6 . 1 1 84 84 THR N N 84 112.460 112.460 117.080 -4.620 19327 2090 1 6 . 1 1 84 84 THR HA H 84 5.037 5.037 4.883 0.154 19327 2091 1 6 . 1 1 84 84 THR CA C 84 60.301 60.301 62.106 -1.805 19327 2092 1 6 . 1 1 84 84 THR CB C 84 72.048 72.048 70.717 1.331 19327 2093 1 6 . 1 1 84 84 THR H H 84 8.125 8.125 7.607 0.518 19327 2094 1 6 . 1 1 85 85 ALA N N 85 122.513 122.513 127.418 -4.905 19327 2095 1 6 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.027 -0.068 19327 2096 1 6 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.825 0.445 19327 2097 1 6 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.878 0.965 19327 2098 1 6 . 1 1 85 85 ALA H H 85 8.841 8.841 8.914 -0.073 19327 2099 1 6 . 1 1 86 86 ASP N N 86 121.651 121.651 123.939 -2.288 19327 2100 1 6 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.932 0.266 19327 2101 1 6 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.748 -1.271 19327 2102 1 6 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.238 1.091 19327 2103 1 6 . 1 1 86 86 ASP H H 86 8.506 8.506 8.252 0.254 19327 2104 1 6 . 1 1 87 87 ILE N N 87 111.376 111.376 118.283 -6.907 19327 2105 1 6 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.068 0.311 19327 2106 1 6 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.744 -1.555 19327 2107 1 6 . 1 1 87 87 ILE CB C 87 41.389 41.389 40.024 1.365 19327 2108 1 6 . 1 1 87 87 ILE H H 87 7.966 7.966 8.364 -0.398 19327 2109 1 6 . 1 1 88 88 TYR N N 88 118.138 118.138 125.591 -7.453 19327 2110 1 6 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.357 0.086 19327 2111 1 6 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.369 0.648 19327 2112 1 6 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.066 1.108 19327 2113 1 6 . 1 1 88 88 TYR H H 88 8.754 8.754 9.030 -0.276 19327 2114 1 6 . 1 1 89 89 LYS N N 89 123.705 123.705 120.276 3.429 19327 2115 1 6 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.171 0.006 19327 2116 1 6 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.407 0.059 19327 2117 1 6 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.355 0.783 19327 2118 1 6 . 1 1 89 89 LYS H H 89 9.595 9.595 9.021 0.574 19327 2119 1 6 . 1 1 90 90 LYS N N 90 129.328 129.328 123.735 5.593 19327 2120 1 6 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.480 -0.660 19327 2121 1 6 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.254 1.412 19327 2122 1 6 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.633 -0.806 19327 2123 1 6 . 1 1 90 90 LYS H H 90 10.195 10.195 8.635 1.560 19327 2124 1 6 . 1 1 91 91 LYS N N 91 126.034 126.034 125.123 0.911 19327 2125 1 6 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.337 -0.227 19327 2126 1 6 . 1 1 91 91 LYS CA C 91 57.325 57.325 55.248 2.077 19327 2127 1 6 . 1 1 91 91 LYS CB C 91 33.325 33.325 33.680 -0.355 19327 2128 1 6 . 1 1 91 91 LYS H H 91 8.459 8.459 8.278 0.181 19327 2129 1 6 . 1 1 92 92 LEU N N 92 123.360 123.360 125.358 -1.998 19327 2130 1 6 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.318 -0.033 19327 2131 1 6 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.092 -0.275 19327 2132 1 6 . 1 1 92 92 LEU CB C 92 42.315 42.315 41.972 0.343 19327 2133 1 6 . 1 1 92 92 LEU H H 92 8.266 8.266 8.531 -0.265 19327 2134 1 6 . 1 1 93 93 GLU N N 93 121.993 121.993 127.636 -5.643 19327 2135 1 6 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.522 -0.298 19327 2136 1 6 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.612 0.220 19327 2137 1 6 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.442 -0.017 19327 2138 1 6 . 1 1 93 93 GLU H H 93 8.311 8.311 8.563 -0.252 19327 2139 1 6 . 1 1 94 94 HIS N N 94 119.802 119.802 127.030 -7.228 19327 2140 1 6 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.704 -0.068 19327 2141 1 6 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.897 -1.837 19327 2142 1 6 . 1 1 94 94 HIS CB C 94 29.131 29.131 28.948 0.183 19327 2143 1 6 . 1 1 94 94 HIS H H 94 8.567 8.567 8.822 -0.255 19327 2144 1 6 . 1 1 95 95 HIS N N 95 119.430 119.430 125.231 -5.801 19327 2145 1 6 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.570 0.067 19327 2146 1 6 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.488 -1.314 19327 2147 1 6 . 1 1 95 95 HIS CB C 95 29.082 29.082 31.272 -2.190 19327 2148 1 6 . 1 1 95 95 HIS H H 95 8.600 8.600 8.099 0.501 19327 2149 1 7 . 1 1 23 23 GLU N N 23 117.829 117.829 121.925 -4.096 19327 2150 1 7 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.698 0.015 19327 2151 1 7 . 1 1 23 23 GLU C C 23 174.825 174.825 175.342 -0.517 19327 2152 1 7 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.413 -0.050 19327 2153 1 7 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.043 0.597 19327 2154 1 7 . 1 1 23 23 GLU H H 23 7.921 7.921 8.489 -0.568 19327 2155 1 7 . 1 1 24 24 ILE N N 24 123.913 123.913 122.577 1.336 19327 2156 1 7 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.762 0.109 19327 2157 1 7 . 1 1 24 24 ILE C C 24 176.427 176.427 175.502 0.925 19327 2158 1 7 . 1 1 24 24 ILE CA C 24 60.288 60.288 59.832 0.456 19327 2159 1 7 . 1 1 24 24 ILE CB C 24 38.258 38.258 38.419 -0.161 19327 2160 1 7 . 1 1 24 24 ILE H H 24 8.873 8.873 8.557 0.316 19327 2161 1 7 . 1 1 25 25 MET N N 25 127.256 127.256 125.466 1.790 19327 2162 1 7 . 1 1 25 25 MET HA H 25 4.761 4.761 4.819 -0.058 19327 2163 1 7 . 1 1 25 25 MET C C 25 175.735 175.735 174.984 0.751 19327 2164 1 7 . 1 1 25 25 MET CA C 25 54.339 54.339 53.945 0.394 19327 2165 1 7 . 1 1 25 25 MET CB C 25 37.347 37.347 37.359 -0.012 19327 2166 1 7 . 1 1 25 25 MET H H 25 8.727 8.727 8.740 -0.013 19327 2167 1 7 . 1 1 26 26 LYS N N 26 123.671 123.671 121.881 1.790 19327 2168 1 7 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.283 0.032 19327 2169 1 7 . 1 1 26 26 LYS C C 26 178.259 178.259 177.625 0.634 19327 2170 1 7 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.829 -0.104 19327 2171 1 7 . 1 1 26 26 LYS CB C 26 32.963 32.963 34.057 -1.094 19327 2172 1 7 . 1 1 26 26 LYS H H 26 9.189 9.189 8.476 0.713 19327 2173 1 7 . 1 1 27 27 LYS N N 27 126.369 126.369 123.786 2.583 19327 2174 1 7 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.978 -0.114 19327 2175 1 7 . 1 1 27 27 LYS C C 27 177.241 177.241 178.702 -1.461 19327 2176 1 7 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.827 0.760 19327 2177 1 7 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.207 0.152 19327 2178 1 7 . 1 1 27 27 LYS H H 27 8.871 8.871 8.335 0.536 19327 2179 1 7 . 1 1 28 28 THR N N 28 107.099 107.099 113.316 -6.217 19327 2180 1 7 . 1 1 28 28 THR HA H 28 4.135 4.135 4.104 0.031 19327 2181 1 7 . 1 1 28 28 THR CA C 28 64.757 64.757 66.211 -1.454 19327 2182 1 7 . 1 1 28 28 THR CB C 28 68.084 68.084 68.513 -0.429 19327 2183 1 7 . 1 1 28 28 THR H H 28 8.110 8.110 8.533 -0.423 19327 2184 1 7 . 1 1 29 29 ASP N N 29 119.543 119.543 121.441 -1.898 19327 2185 1 7 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.419 0.167 19327 2186 1 7 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.499 -0.843 19327 2187 1 7 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.571 0.156 19327 2188 1 7 . 1 1 29 29 ASP H H 29 6.779 6.779 8.155 -1.376 19327 2189 1 7 . 1 1 30 30 PHE N N 30 123.437 123.437 119.611 3.826 19327 2190 1 7 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.238 -0.302 19327 2191 1 7 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.407 0.455 19327 2192 1 7 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.855 -0.825 19327 2193 1 7 . 1 1 30 30 PHE H H 30 8.633 8.633 7.976 0.657 19327 2194 1 7 . 1 1 31 31 ASP N N 31 117.040 117.040 119.863 -2.823 19327 2195 1 7 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.207 -0.057 19327 2196 1 7 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.489 -0.413 19327 2197 1 7 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.095 -0.109 19327 2198 1 7 . 1 1 31 31 ASP H H 31 8.650 8.650 8.456 0.194 19327 2199 1 7 . 1 1 32 32 LYS N N 32 114.800 114.800 118.089 -3.289 19327 2200 1 7 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.040 0.074 19327 2201 1 7 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.677 -0.290 19327 2202 1 7 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.675 0.580 19327 2203 1 7 . 1 1 32 32 LYS H H 32 6.927 6.927 7.644 -0.717 19327 2204 1 7 . 1 1 33 33 VAL N N 33 109.380 109.380 110.720 -1.340 19327 2205 1 7 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.450 0.169 19327 2206 1 7 . 1 1 33 33 VAL CA C 33 60.060 60.060 59.899 0.161 19327 2207 1 7 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.650 0.784 19327 2208 1 7 . 1 1 33 33 VAL H H 33 7.404 7.404 7.431 -0.027 19327 2209 1 7 . 1 1 34 34 ALA N N 34 124.530 124.530 125.637 -1.107 19327 2210 1 7 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.310 -0.294 19327 2211 1 7 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.100 0.164 19327 2212 1 7 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.233 1.161 19327 2213 1 7 . 1 1 34 34 ALA H H 34 6.714 6.714 7.480 -0.766 19327 2214 1 7 . 1 1 35 35 SER N N 35 110.547 110.547 110.708 -0.161 19327 2215 1 7 . 1 1 35 35 SER HA H 35 4.324 4.324 4.230 0.094 19327 2216 1 7 . 1 1 35 35 SER CA C 35 60.456 60.456 60.375 0.081 19327 2217 1 7 . 1 1 35 35 SER CB C 35 62.536 62.536 62.618 -0.082 19327 2218 1 7 . 1 1 35 35 SER H H 35 8.121 8.121 8.481 -0.360 19327 2219 1 7 . 1 1 36 36 GLU N N 36 119.216 119.216 118.652 0.564 19327 2220 1 7 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.303 -0.030 19327 2221 1 7 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.301 -0.514 19327 2222 1 7 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.998 -0.913 19327 2223 1 7 . 1 1 36 36 GLU H H 36 8.305 8.305 7.664 0.641 19327 2224 1 7 . 1 1 37 37 TYR N N 37 117.179 117.179 117.785 -0.606 19327 2225 1 7 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.388 -0.238 19327 2226 1 7 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.154 0.802 19327 2227 1 7 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.135 2.105 19327 2228 1 7 . 1 1 37 37 TYR H H 37 7.922 7.922 7.784 0.138 19327 2229 1 7 . 1 1 38 38 THR N N 38 115.546 115.546 115.940 -0.394 19327 2230 1 7 . 1 1 38 38 THR HA H 38 4.843 4.843 4.835 0.008 19327 2231 1 7 . 1 1 38 38 THR CA C 38 60.454 60.454 60.446 0.008 19327 2232 1 7 . 1 1 38 38 THR CB C 38 71.300 71.300 71.096 0.205 19327 2233 1 7 . 1 1 38 38 THR H H 38 9.483 9.483 9.119 0.364 19327 2234 1 7 . 1 1 39 39 LYS N N 39 130.415 130.415 129.546 0.869 19327 2235 1 7 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.626 0.257 19327 2236 1 7 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.153 1.462 19327 2237 1 7 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.767 0.823 19327 2238 1 7 . 1 1 39 39 LYS H H 39 9.290 9.290 8.651 0.639 19327 2239 1 7 . 1 1 40 40 ILE N N 40 122.004 122.004 122.626 -0.622 19327 2240 1 7 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.394 0.164 19327 2241 1 7 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.503 0.549 19327 2242 1 7 . 1 1 40 40 ILE CB C 40 39.357 39.357 39.031 0.327 19327 2243 1 7 . 1 1 40 40 ILE H H 40 8.819 8.819 8.412 0.407 19327 2244 1 7 . 1 1 41 41 GLY N N 41 107.582 107.582 108.060 -0.478 19327 2245 1 7 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.560 -0.354 19327 2246 1 7 . 1 1 41 41 GLY H H 41 7.136 7.136 7.385 -0.249 19327 2247 1 7 . 1 1 42 42 THR N N 42 115.052 115.052 115.172 -0.120 19327 2248 1 7 . 1 1 42 42 THR HA H 42 5.237 5.237 4.932 0.305 19327 2249 1 7 . 1 1 42 42 THR CA C 42 60.959 60.959 61.584 -0.625 19327 2250 1 7 . 1 1 42 42 THR CB C 42 72.255 72.255 70.669 1.586 19327 2251 1 7 . 1 1 42 42 THR H H 42 8.218 8.218 8.212 0.006 19327 2252 1 7 . 1 1 43 43 ILE N N 43 118.029 118.029 122.357 -4.328 19327 2253 1 7 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.889 -0.102 19327 2254 1 7 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.059 0.493 19327 2255 1 7 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.905 1.796 19327 2256 1 7 . 1 1 43 43 ILE H H 43 9.129 9.129 8.880 0.249 19327 2257 1 7 . 1 1 44 44 SER N N 44 113.484 113.484 115.220 -1.736 19327 2258 1 7 . 1 1 44 44 SER HA H 44 5.252 5.252 5.276 -0.024 19327 2259 1 7 . 1 1 44 44 SER CA C 44 56.792 56.792 56.759 0.033 19327 2260 1 7 . 1 1 44 44 SER CB C 44 66.063 66.063 65.305 0.759 19327 2261 1 7 . 1 1 44 44 SER H H 44 8.335 8.335 8.332 0.003 19327 2262 1 7 . 1 1 45 45 THR N N 45 113.454 113.454 116.285 -2.831 19327 2263 1 7 . 1 1 45 45 THR HA H 45 4.555 4.555 4.677 -0.122 19327 2264 1 7 . 1 1 45 45 THR CA C 45 60.871 60.871 61.349 -0.478 19327 2265 1 7 . 1 1 45 45 THR CB C 45 70.060 70.060 70.191 -0.131 19327 2266 1 7 . 1 1 45 45 THR H H 45 8.375 8.375 8.146 0.229 19327 2267 1 7 . 1 1 46 46 THR N N 46 117.848 117.848 114.458 3.390 19327 2268 1 7 . 1 1 46 46 THR HA H 46 4.401 4.401 4.061 0.340 19327 2269 1 7 . 1 1 46 46 THR CA C 46 62.097 62.097 64.715 -2.618 19327 2270 1 7 . 1 1 46 46 THR CB C 46 69.387 69.387 68.950 0.437 19327 2271 1 7 . 1 1 46 46 THR H H 46 8.542 8.542 8.466 0.076 19327 2272 1 7 . 1 1 47 47 GLY N N 47 111.660 111.660 107.152 4.508 19327 2273 1 7 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.532 0.351 19327 2274 1 7 . 1 1 47 47 GLY H H 47 8.325 8.325 7.607 0.718 19327 2275 1 7 . 1 1 48 48 GLU N N 48 120.153 120.153 119.785 0.368 19327 2276 1 7 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.227 0.169 19327 2277 1 7 . 1 1 48 48 GLU CA C 48 55.704 55.704 57.063 -1.359 19327 2278 1 7 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.423 0.171 19327 2279 1 7 . 1 1 48 48 GLU H H 48 8.437 8.437 8.436 0.001 19327 2280 1 7 . 1 1 49 49 MET N N 49 120.146 120.146 123.886 -3.740 19327 2281 1 7 . 1 1 49 49 MET HA H 49 4.696 4.696 4.647 0.049 19327 2282 1 7 . 1 1 49 49 MET CA C 49 55.028 55.028 53.706 1.322 19327 2283 1 7 . 1 1 49 49 MET CB C 49 36.079 36.079 36.885 -0.806 19327 2284 1 7 . 1 1 49 49 MET H H 49 8.390 8.390 8.273 0.117 19327 2285 1 7 . 1 1 50 50 SER N N 50 118.105 118.105 117.363 0.742 19327 2286 1 7 . 1 1 50 50 SER HA H 50 4.780 4.780 4.719 0.061 19327 2287 1 7 . 1 1 50 50 SER CA C 50 56.822 56.822 57.332 -0.510 19327 2288 1 7 . 1 1 50 50 SER CB C 50 62.631 62.631 62.652 -0.021 19327 2289 1 7 . 1 1 50 50 SER H H 50 9.023 9.023 8.644 0.379 19327 2290 1 7 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.155 0.086 19327 2291 1 7 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.870 0.208 19327 2292 1 7 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.711 0.296 19327 2293 1 7 . 1 1 52 52 LEU N N 52 117.624 117.624 117.820 -0.196 19327 2294 1 7 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.128 -0.016 19327 2295 1 7 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.499 0.449 19327 2296 1 7 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.805 0.787 19327 2297 1 7 . 1 1 52 52 LEU H H 52 8.169 8.169 8.183 -0.014 19327 2298 1 7 . 1 1 53 53 ASP N N 53 120.042 120.042 119.219 0.823 19327 2299 1 7 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.438 -0.016 19327 2300 1 7 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.565 -0.817 19327 2301 1 7 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.801 -0.961 19327 2302 1 7 . 1 1 53 53 ASP H H 53 7.515 7.515 8.016 -0.501 19327 2303 1 7 . 1 1 54 54 ALA N N 54 123.542 123.542 122.260 1.282 19327 2304 1 7 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.031 0.179 19327 2305 1 7 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.843 -0.043 19327 2306 1 7 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.588 -0.146 19327 2307 1 7 . 1 1 54 54 ALA H H 54 8.806 8.806 8.109 0.697 19327 2308 1 7 . 1 1 55 55 ARG N N 55 117.281 117.281 118.528 -1.247 19327 2309 1 7 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.940 -0.198 19327 2310 1 7 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.952 0.349 19327 2311 1 7 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.134 0.133 19327 2312 1 7 . 1 1 55 55 ARG H H 55 7.869 7.869 8.075 -0.206 19327 2313 1 7 . 1 1 56 56 GLU N N 56 116.048 116.048 119.211 -3.163 19327 2314 1 7 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.949 0.060 19327 2315 1 7 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.689 -0.849 19327 2316 1 7 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.321 -0.631 19327 2317 1 7 . 1 1 56 56 GLU H H 56 7.638 7.638 8.143 -0.505 19327 2318 1 7 . 1 1 57 57 ASP N N 57 120.238 120.238 120.903 -0.665 19327 2319 1 7 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.370 0.014 19327 2320 1 7 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.414 0.060 19327 2321 1 7 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.861 1.671 19327 2322 1 7 . 1 1 57 57 ASP H H 57 8.126 8.126 7.602 0.524 19327 2323 1 7 . 1 1 58 58 LEU N N 58 117.410 117.410 119.462 -2.052 19327 2324 1 7 . 1 1 58 58 LEU HA H 58 3.861 3.861 4.018 -0.157 19327 2325 1 7 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.736 -0.140 19327 2326 1 7 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.947 -0.333 19327 2327 1 7 . 1 1 58 58 LEU H H 58 8.172 8.172 7.857 0.315 19327 2328 1 7 . 1 1 59 59 ILE N N 59 118.841 118.841 120.273 -1.432 19327 2329 1 7 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.507 -0.204 19327 2330 1 7 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.873 -0.116 19327 2331 1 7 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.609 -0.046 19327 2332 1 7 . 1 1 59 59 ILE H H 59 8.028 8.028 8.392 -0.364 19327 2333 1 7 . 1 1 60 60 LYS N N 60 119.525 119.525 120.031 -0.506 19327 2334 1 7 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.897 0.197 19327 2335 1 7 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.114 -0.361 19327 2336 1 7 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.302 -0.167 19327 2337 1 7 . 1 1 60 60 LYS H H 60 7.895 7.895 7.984 -0.089 19327 2338 1 7 . 1 1 61 61 LYS N N 61 119.257 119.257 118.507 0.750 19327 2339 1 7 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.060 -0.073 19327 2340 1 7 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.492 -0.218 19327 2341 1 7 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.410 1.134 19327 2342 1 7 . 1 1 61 61 LYS H H 61 8.086 8.086 7.915 0.171 19327 2343 1 7 . 1 1 62 62 ALA N N 62 122.326 122.326 121.631 0.695 19327 2344 1 7 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.088 -0.315 19327 2345 1 7 . 1 1 62 62 ALA CA C 62 55.037 55.037 54.922 0.115 19327 2346 1 7 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.245 0.857 19327 2347 1 7 . 1 1 62 62 ALA H H 62 8.489 8.489 7.995 0.494 19327 2348 1 7 . 1 1 63 63 ASP N N 63 120.381 120.381 119.230 1.151 19327 2349 1 7 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.362 0.233 19327 2350 1 7 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.279 -0.199 19327 2351 1 7 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.147 -2.118 19327 2352 1 7 . 1 1 63 63 ASP H H 63 8.855 8.855 8.228 0.627 19327 2353 1 7 . 1 1 64 64 GLU N N 64 121.428 121.428 118.532 2.896 19327 2354 1 7 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.113 -0.036 19327 2355 1 7 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.125 0.770 19327 2356 1 7 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.768 -0.644 19327 2357 1 7 . 1 1 64 64 GLU H H 64 8.053 8.053 7.921 0.132 19327 2358 1 7 . 1 1 65 65 LYS N N 65 115.778 115.778 116.842 -1.064 19327 2359 1 7 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.274 0.046 19327 2360 1 7 . 1 1 65 65 LYS CA C 65 54.830 54.830 56.556 -1.726 19327 2361 1 7 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.664 0.355 19327 2362 1 7 . 1 1 65 65 LYS H H 65 7.186 7.186 7.801 -0.615 19327 2363 1 7 . 1 1 66 66 GLY N N 66 107.578 107.578 106.683 0.895 19327 2364 1 7 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.140 0.682 19327 2365 1 7 . 1 1 66 66 GLY H H 66 7.873 7.873 7.635 0.238 19327 2366 1 7 . 1 1 67 67 ALA N N 67 119.025 119.025 123.301 -4.276 19327 2367 1 7 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.152 -0.130 19327 2368 1 7 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.042 -0.343 19327 2369 1 7 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.823 1.387 19327 2370 1 7 . 1 1 67 67 ALA H H 67 7.927 7.927 7.658 0.269 19327 2371 1 7 . 1 1 68 68 ASP N N 68 116.686 116.686 124.648 -7.962 19327 2372 1 7 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.597 0.474 19327 2373 1 7 . 1 1 68 68 ASP CA C 68 56.601 56.601 58.416 -1.815 19327 2374 1 7 . 1 1 68 68 ASP CB C 68 45.008 45.008 41.881 3.127 19327 2375 1 7 . 1 1 68 68 ASP H H 68 8.793 8.793 8.270 0.523 19327 2376 1 7 . 1 1 69 69 VAL N N 69 118.623 118.623 116.967 1.656 19327 2377 1 7 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.270 0.860 19327 2378 1 7 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.088 -0.658 19327 2379 1 7 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.858 2.745 19327 2380 1 7 . 1 1 69 69 VAL H H 69 8.076 8.076 7.911 0.165 19327 2381 1 7 . 1 1 70 70 VAL N N 70 127.358 127.358 126.935 0.423 19327 2382 1 7 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.211 0.349 19327 2383 1 7 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.436 -1.493 19327 2384 1 7 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.449 1.984 19327 2385 1 7 . 1 1 70 70 VAL H H 70 8.724 8.724 8.878 -0.154 19327 2386 1 7 . 1 1 71 71 VAL N N 71 126.739 126.739 127.782 -1.043 19327 2387 1 7 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.672 -0.116 19327 2388 1 7 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.123 0.729 19327 2389 1 7 . 1 1 71 71 VAL CB C 71 34.062 34.062 32.117 1.945 19327 2390 1 7 . 1 1 71 71 VAL H H 71 8.891 8.891 8.502 0.389 19327 2391 1 7 . 1 1 72 72 LEU N N 72 127.581 127.581 129.949 -2.368 19327 2392 1 7 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.318 0.130 19327 2393 1 7 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.332 0.388 19327 2394 1 7 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.164 1.467 19327 2395 1 7 . 1 1 72 72 LEU H H 72 8.802 8.802 8.638 0.164 19327 2396 1 7 . 1 1 73 73 THR N N 73 114.207 114.207 120.708 -6.501 19327 2397 1 7 . 1 1 73 73 THR HA H 73 4.420 4.420 4.194 0.226 19327 2398 1 7 . 1 1 73 73 THR CA C 73 61.516 61.516 63.767 -2.251 19327 2399 1 7 . 1 1 73 73 THR CB C 73 69.462 69.462 69.177 0.285 19327 2400 1 7 . 1 1 73 73 THR H H 73 8.631 8.631 8.220 0.411 19327 2401 1 7 . 1 1 74 74 SER N N 74 116.164 116.164 117.184 -1.020 19327 2402 1 7 . 1 1 74 74 SER HA H 74 4.542 4.542 4.611 -0.069 19327 2403 1 7 . 1 1 74 74 SER CA C 74 58.066 58.066 58.659 -0.593 19327 2404 1 7 . 1 1 74 74 SER CB C 74 63.962 63.962 64.083 -0.121 19327 2405 1 7 . 1 1 74 74 SER H H 74 8.137 8.137 7.612 0.525 19327 2406 1 7 . 1 1 75 75 GLY N N 75 110.048 110.048 108.488 1.560 19327 2407 1 7 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.610 0.674 19327 2408 1 7 . 1 1 75 75 GLY H H 75 8.574 8.574 8.648 -0.074 19327 2409 1 7 . 1 1 76 76 GLN N N 76 119.520 119.520 123.757 -4.237 19327 2410 1 7 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.126 0.373 19327 2411 1 7 . 1 1 76 76 GLN CA C 76 55.969 55.969 57.370 -1.401 19327 2412 1 7 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.067 1.694 19327 2413 1 7 . 1 1 76 76 GLN H H 76 8.393 8.393 8.606 -0.213 19327 2414 1 7 . 1 1 77 77 THR N N 77 113.213 113.213 113.618 -0.405 19327 2415 1 7 . 1 1 77 77 THR HA H 77 4.432 4.432 4.115 0.317 19327 2416 1 7 . 1 1 77 77 THR CA C 77 61.408 61.408 63.147 -1.739 19327 2417 1 7 . 1 1 77 77 THR CB C 77 69.786 69.786 68.541 1.245 19327 2418 1 7 . 1 1 77 77 THR H H 77 8.105 8.105 7.837 0.268 19327 2419 1 7 . 1 1 78 78 GLU N N 78 120.912 120.912 118.681 2.231 19327 2420 1 7 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.825 0.423 19327 2421 1 7 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.162 -2.172 19327 2422 1 7 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.920 1.869 19327 2423 1 7 . 1 1 78 78 GLU H H 78 8.454 8.454 8.022 0.432 19327 2424 1 7 . 1 1 79 79 ASN N N 79 117.094 117.094 118.606 -1.512 19327 2425 1 7 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.511 0.094 19327 2426 1 7 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.212 -1.452 19327 2427 1 7 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.073 -0.342 19327 2428 1 7 . 1 1 79 79 ASN H H 79 8.329 8.329 8.097 0.232 19327 2429 1 7 . 1 1 80 80 LYS N N 80 118.942 118.942 118.472 0.470 19327 2430 1 7 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.454 -0.147 19327 2431 1 7 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.847 0.269 19327 2432 1 7 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.734 0.644 19327 2433 1 7 . 1 1 80 80 LYS H H 80 7.910 7.910 7.873 0.037 19327 2434 1 7 . 1 1 81 81 ILE N N 81 119.677 119.677 123.334 -3.657 19327 2435 1 7 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.535 -0.229 19327 2436 1 7 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.193 0.333 19327 2437 1 7 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.491 -0.441 19327 2438 1 7 . 1 1 81 81 ILE H H 81 8.341 8.341 8.271 0.070 19327 2439 1 7 . 1 1 82 82 HIS N N 82 121.812 121.812 127.480 -5.668 19327 2440 1 7 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.606 0.170 19327 2441 1 7 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.209 -1.525 19327 2442 1 7 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.989 -2.059 19327 2443 1 7 . 1 1 82 82 HIS H H 82 8.472 8.472 8.768 -0.296 19327 2444 1 7 . 1 1 83 83 GLY N N 83 111.641 111.641 107.232 4.409 19327 2445 1 7 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.558 -0.434 19327 2446 1 7 . 1 1 83 83 GLY H H 83 8.334 8.334 8.379 -0.045 19327 2447 1 7 . 1 1 84 84 THR N N 84 112.460 112.460 117.707 -5.247 19327 2448 1 7 . 1 1 84 84 THR HA H 84 5.037 5.037 4.873 0.164 19327 2449 1 7 . 1 1 84 84 THR CA C 84 60.301 60.301 62.321 -2.020 19327 2450 1 7 . 1 1 84 84 THR CB C 84 72.048 72.048 70.473 1.575 19327 2451 1 7 . 1 1 84 84 THR H H 84 8.125 8.125 7.781 0.344 19327 2452 1 7 . 1 1 85 85 ALA N N 85 122.513 122.513 127.997 -5.484 19327 2453 1 7 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.065 -0.106 19327 2454 1 7 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.882 0.388 19327 2455 1 7 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.613 1.230 19327 2456 1 7 . 1 1 85 85 ALA H H 85 8.841 8.841 9.046 -0.205 19327 2457 1 7 . 1 1 86 86 ASP N N 86 121.651 121.651 125.075 -3.424 19327 2458 1 7 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.878 0.320 19327 2459 1 7 . 1 1 86 86 ASP CA C 86 53.477 53.477 55.336 -1.859 19327 2460 1 7 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.411 0.918 19327 2461 1 7 . 1 1 86 86 ASP H H 86 8.506 8.506 8.298 0.208 19327 2462 1 7 . 1 1 87 87 ILE N N 87 111.376 111.376 118.224 -6.848 19327 2463 1 7 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.879 0.500 19327 2464 1 7 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.017 -1.828 19327 2465 1 7 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.191 2.198 19327 2466 1 7 . 1 1 87 87 ILE H H 87 7.966 7.966 8.322 -0.356 19327 2467 1 7 . 1 1 88 88 TYR N N 88 118.138 118.138 125.818 -7.680 19327 2468 1 7 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.516 -0.073 19327 2469 1 7 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.147 0.870 19327 2470 1 7 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.871 1.303 19327 2471 1 7 . 1 1 88 88 TYR H H 88 8.754 8.754 9.011 -0.257 19327 2472 1 7 . 1 1 89 89 LYS N N 89 123.705 123.705 120.198 3.507 19327 2473 1 7 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.105 0.072 19327 2474 1 7 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.476 -0.010 19327 2475 1 7 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.359 0.779 19327 2476 1 7 . 1 1 89 89 LYS H H 89 9.595 9.595 8.916 0.679 19327 2477 1 7 . 1 1 90 90 LYS N N 90 129.328 129.328 123.458 5.870 19327 2478 1 7 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.558 -0.738 19327 2479 1 7 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.288 1.378 19327 2480 1 7 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.877 -1.050 19327 2481 1 7 . 1 1 90 90 LYS H H 90 10.195 10.195 8.667 1.528 19327 2482 1 7 . 1 1 91 91 LYS N N 91 126.034 126.034 124.161 1.873 19327 2483 1 7 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.146 -0.036 19327 2484 1 7 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.565 0.760 19327 2485 1 7 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.818 0.507 19327 2486 1 7 . 1 1 91 91 LYS H H 91 8.459 8.459 8.214 0.245 19327 2487 1 7 . 1 1 92 92 LEU N N 92 123.360 123.360 122.538 0.822 19327 2488 1 7 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.272 0.013 19327 2489 1 7 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.315 -0.498 19327 2490 1 7 . 1 1 92 92 LEU CB C 92 42.315 42.315 41.373 0.942 19327 2491 1 7 . 1 1 92 92 LEU H H 92 8.266 8.266 8.117 0.149 19327 2492 1 7 . 1 1 93 93 GLU N N 93 121.993 121.993 120.273 1.720 19327 2493 1 7 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.118 0.106 19327 2494 1 7 . 1 1 93 93 GLU CA C 93 55.832 55.832 57.083 -1.251 19327 2495 1 7 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.160 0.265 19327 2496 1 7 . 1 1 93 93 GLU H H 93 8.311 8.311 8.440 -0.129 19327 2497 1 7 . 1 1 94 94 HIS N N 94 119.802 119.802 116.194 3.608 19327 2498 1 7 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.804 -0.168 19327 2499 1 7 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.008 0.051 19327 2500 1 7 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.977 -1.846 19327 2501 1 7 . 1 1 94 94 HIS H H 94 8.567 8.567 8.340 0.227 19327 2502 1 7 . 1 1 95 95 HIS N N 95 119.430 119.430 124.032 -4.602 19327 2503 1 7 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.258 0.379 19327 2504 1 7 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.658 -1.484 19327 2505 1 7 . 1 1 95 95 HIS CB C 95 29.082 29.082 28.201 0.881 19327 2506 1 7 . 1 1 95 95 HIS H H 95 8.600 8.600 8.767 -0.167 19327 2507 1 8 . 1 1 23 23 GLU N N 23 117.829 117.829 119.598 -1.769 19327 2508 1 8 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.722 -0.009 19327 2509 1 8 . 1 1 23 23 GLU C C 23 174.825 174.825 175.362 -0.537 19327 2510 1 8 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.508 -0.145 19327 2511 1 8 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.342 0.298 19327 2512 1 8 . 1 1 23 23 GLU H H 23 7.921 7.921 8.383 -0.462 19327 2513 1 8 . 1 1 24 24 ILE N N 24 123.913 123.913 124.651 -0.738 19327 2514 1 8 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.501 0.370 19327 2515 1 8 . 1 1 24 24 ILE C C 24 176.427 176.427 175.986 0.441 19327 2516 1 8 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.250 0.038 19327 2517 1 8 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.773 1.485 19327 2518 1 8 . 1 1 24 24 ILE H H 24 8.873 8.873 8.772 0.101 19327 2519 1 8 . 1 1 25 25 MET N N 25 127.256 127.256 127.609 -0.353 19327 2520 1 8 . 1 1 25 25 MET HA H 25 4.761 4.761 4.851 -0.090 19327 2521 1 8 . 1 1 25 25 MET C C 25 175.735 175.735 174.767 0.968 19327 2522 1 8 . 1 1 25 25 MET CA C 25 54.339 54.339 54.213 0.126 19327 2523 1 8 . 1 1 25 25 MET CB C 25 37.347 37.347 37.136 0.211 19327 2524 1 8 . 1 1 25 25 MET H H 25 8.727 8.727 8.771 -0.044 19327 2525 1 8 . 1 1 26 26 LYS N N 26 123.671 123.671 121.581 2.090 19327 2526 1 8 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.616 -0.301 19327 2527 1 8 . 1 1 26 26 LYS C C 26 178.259 178.259 177.729 0.530 19327 2528 1 8 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.014 0.710 19327 2529 1 8 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.405 -0.442 19327 2530 1 8 . 1 1 26 26 LYS H H 26 9.189 9.189 8.688 0.501 19327 2531 1 8 . 1 1 27 27 LYS N N 27 126.369 126.369 121.874 4.495 19327 2532 1 8 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.096 -0.232 19327 2533 1 8 . 1 1 27 27 LYS C C 27 177.241 177.241 178.740 -1.499 19327 2534 1 8 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.216 1.371 19327 2535 1 8 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.097 0.262 19327 2536 1 8 . 1 1 27 27 LYS H H 27 8.871 8.871 8.216 0.655 19327 2537 1 8 . 1 1 28 28 THR N N 28 107.099 107.099 114.503 -7.404 19327 2538 1 8 . 1 1 28 28 THR HA H 28 4.135 4.135 4.073 0.062 19327 2539 1 8 . 1 1 28 28 THR CA C 28 64.757 64.757 66.346 -1.589 19327 2540 1 8 . 1 1 28 28 THR CB C 28 68.084 68.084 68.567 -0.483 19327 2541 1 8 . 1 1 28 28 THR H H 28 8.110 8.110 8.534 -0.424 19327 2542 1 8 . 1 1 29 29 ASP N N 29 119.543 119.543 121.846 -2.303 19327 2543 1 8 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.491 0.095 19327 2544 1 8 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.084 -0.428 19327 2545 1 8 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.647 0.080 19327 2546 1 8 . 1 1 29 29 ASP H H 29 6.779 6.779 7.676 -0.897 19327 2547 1 8 . 1 1 30 30 PHE N N 30 123.437 123.437 120.104 3.333 19327 2548 1 8 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.142 -0.206 19327 2549 1 8 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.086 0.776 19327 2550 1 8 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.700 -0.670 19327 2551 1 8 . 1 1 30 30 PHE H H 30 8.633 8.633 8.230 0.403 19327 2552 1 8 . 1 1 31 31 ASP N N 31 117.040 117.040 119.776 -2.736 19327 2553 1 8 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.129 0.021 19327 2554 1 8 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.826 -0.751 19327 2555 1 8 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.477 -0.491 19327 2556 1 8 . 1 1 31 31 ASP H H 31 8.650 8.650 8.434 0.216 19327 2557 1 8 . 1 1 32 32 LYS N N 32 114.800 114.800 119.088 -4.288 19327 2558 1 8 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.046 0.068 19327 2559 1 8 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.470 -0.083 19327 2560 1 8 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.567 0.688 19327 2561 1 8 . 1 1 32 32 LYS H H 32 6.927 6.927 7.952 -1.025 19327 2562 1 8 . 1 1 33 33 VAL N N 33 109.380 109.380 112.176 -2.796 19327 2563 1 8 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.449 0.170 19327 2564 1 8 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.204 -0.144 19327 2565 1 8 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.469 0.965 19327 2566 1 8 . 1 1 33 33 VAL H H 33 7.404 7.404 7.424 -0.020 19327 2567 1 8 . 1 1 34 34 ALA N N 34 124.530 124.530 126.069 -1.539 19327 2568 1 8 . 1 1 34 34 ALA HA H 34 3.016 3.016 2.971 0.045 19327 2569 1 8 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.988 0.276 19327 2570 1 8 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.139 1.255 19327 2571 1 8 . 1 1 34 34 ALA H H 34 6.714 6.714 7.434 -0.720 19327 2572 1 8 . 1 1 35 35 SER N N 35 110.547 110.547 111.641 -1.094 19327 2573 1 8 . 1 1 35 35 SER HA H 35 4.324 4.324 4.207 0.117 19327 2574 1 8 . 1 1 35 35 SER CA C 35 60.456 60.456 60.797 -0.341 19327 2575 1 8 . 1 1 35 35 SER CB C 35 62.536 62.536 62.597 -0.061 19327 2576 1 8 . 1 1 35 35 SER H H 35 8.121 8.121 8.428 -0.307 19327 2577 1 8 . 1 1 36 36 GLU N N 36 119.216 119.216 118.178 1.038 19327 2578 1 8 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.338 -0.065 19327 2579 1 8 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.006 0.781 19327 2580 1 8 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.704 -0.619 19327 2581 1 8 . 1 1 36 36 GLU H H 36 8.305 8.305 7.742 0.563 19327 2582 1 8 . 1 1 37 37 TYR N N 37 117.179 117.179 118.676 -1.497 19327 2583 1 8 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.638 -0.488 19327 2584 1 8 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.684 1.272 19327 2585 1 8 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.446 1.794 19327 2586 1 8 . 1 1 37 37 TYR H H 37 7.922 7.922 7.788 0.134 19327 2587 1 8 . 1 1 38 38 THR N N 38 115.546 115.546 115.547 -0.001 19327 2588 1 8 . 1 1 38 38 THR HA H 38 4.843 4.843 4.946 -0.103 19327 2589 1 8 . 1 1 38 38 THR CA C 38 60.454 60.454 60.618 -0.164 19327 2590 1 8 . 1 1 38 38 THR CB C 38 71.300 71.300 71.024 0.276 19327 2591 1 8 . 1 1 38 38 THR H H 38 9.483 9.483 9.261 0.222 19327 2592 1 8 . 1 1 39 39 LYS N N 39 130.415 130.415 128.606 1.809 19327 2593 1 8 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.849 0.034 19327 2594 1 8 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.303 1.312 19327 2595 1 8 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.396 0.194 19327 2596 1 8 . 1 1 39 39 LYS H H 39 9.290 9.290 8.826 0.464 19327 2597 1 8 . 1 1 40 40 ILE N N 40 122.004 122.004 121.253 0.751 19327 2598 1 8 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.568 -0.010 19327 2599 1 8 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.528 0.524 19327 2600 1 8 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.675 0.682 19327 2601 1 8 . 1 1 40 40 ILE H H 40 8.819 8.819 8.470 0.349 19327 2602 1 8 . 1 1 41 41 GLY N N 41 107.582 107.582 108.589 -1.007 19327 2603 1 8 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.545 -0.339 19327 2604 1 8 . 1 1 41 41 GLY H H 41 7.136 7.136 7.238 -0.102 19327 2605 1 8 . 1 1 42 42 THR N N 42 115.052 115.052 115.305 -0.253 19327 2606 1 8 . 1 1 42 42 THR HA H 42 5.237 5.237 4.778 0.459 19327 2607 1 8 . 1 1 42 42 THR CA C 42 60.959 60.959 61.584 -0.625 19327 2608 1 8 . 1 1 42 42 THR CB C 42 72.255 72.255 70.620 1.635 19327 2609 1 8 . 1 1 42 42 THR H H 42 8.218 8.218 8.223 -0.005 19327 2610 1 8 . 1 1 43 43 ILE N N 43 118.029 118.029 122.153 -4.124 19327 2611 1 8 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.843 -0.056 19327 2612 1 8 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.081 0.470 19327 2613 1 8 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.971 1.730 19327 2614 1 8 . 1 1 43 43 ILE H H 43 9.129 9.129 8.920 0.209 19327 2615 1 8 . 1 1 44 44 SER N N 44 113.484 113.484 116.745 -3.261 19327 2616 1 8 . 1 1 44 44 SER HA H 44 5.252 5.252 5.305 -0.053 19327 2617 1 8 . 1 1 44 44 SER CA C 44 56.792 56.792 56.979 -0.187 19327 2618 1 8 . 1 1 44 44 SER CB C 44 66.063 66.063 65.147 0.916 19327 2619 1 8 . 1 1 44 44 SER H H 44 8.335 8.335 8.307 0.028 19327 2620 1 8 . 1 1 45 45 THR N N 45 113.454 113.454 118.158 -4.704 19327 2621 1 8 . 1 1 45 45 THR HA H 45 4.555 4.555 4.641 -0.086 19327 2622 1 8 . 1 1 45 45 THR CA C 45 60.871 60.871 61.058 -0.187 19327 2623 1 8 . 1 1 45 45 THR CB C 45 70.060 70.060 70.472 -0.412 19327 2624 1 8 . 1 1 45 45 THR H H 45 8.375 8.375 8.627 -0.252 19327 2625 1 8 . 1 1 46 46 THR N N 46 117.848 117.848 120.352 -2.504 19327 2626 1 8 . 1 1 46 46 THR HA H 46 4.401 4.401 4.205 0.196 19327 2627 1 8 . 1 1 46 46 THR CA C 46 62.097 62.097 64.207 -2.110 19327 2628 1 8 . 1 1 46 46 THR CB C 46 69.387 69.387 67.496 1.891 19327 2629 1 8 . 1 1 46 46 THR H H 46 8.542 8.542 8.732 -0.190 19327 2630 1 8 . 1 1 47 47 GLY N N 47 111.660 111.660 116.242 -4.582 19327 2631 1 8 . 1 1 47 47 GLY CA C 47 44.883 44.883 45.847 -0.964 19327 2632 1 8 . 1 1 47 47 GLY H H 47 8.325 8.325 7.852 0.473 19327 2633 1 8 . 1 1 48 48 GLU N N 48 120.153 120.153 122.855 -2.702 19327 2634 1 8 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.321 0.075 19327 2635 1 8 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.482 -0.778 19327 2636 1 8 . 1 1 48 48 GLU CB C 48 29.594 29.594 30.787 -1.193 19327 2637 1 8 . 1 1 48 48 GLU H H 48 8.437 8.437 8.677 -0.240 19327 2638 1 8 . 1 1 49 49 MET N N 49 120.146 120.146 117.147 2.999 19327 2639 1 8 . 1 1 49 49 MET HA H 49 4.696 4.696 3.994 0.702 19327 2640 1 8 . 1 1 49 49 MET CA C 49 55.028 55.028 57.971 -2.943 19327 2641 1 8 . 1 1 49 49 MET CB C 49 36.079 36.079 31.192 4.887 19327 2642 1 8 . 1 1 49 49 MET H H 49 8.390 8.390 8.304 0.086 19327 2643 1 8 . 1 1 50 50 SER N N 50 118.105 118.105 114.658 3.447 19327 2644 1 8 . 1 1 50 50 SER HA H 50 4.780 4.780 4.989 -0.209 19327 2645 1 8 . 1 1 50 50 SER CA C 50 56.822 56.822 55.686 1.136 19327 2646 1 8 . 1 1 50 50 SER CB C 50 62.631 62.631 64.722 -2.091 19327 2647 1 8 . 1 1 50 50 SER H H 50 9.023 9.023 7.814 1.209 19327 2648 1 8 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.158 0.083 19327 2649 1 8 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.691 0.388 19327 2650 1 8 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.796 0.211 19327 2651 1 8 . 1 1 52 52 LEU N N 52 117.624 117.624 117.670 -0.046 19327 2652 1 8 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.211 -0.099 19327 2653 1 8 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.762 0.186 19327 2654 1 8 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.610 0.982 19327 2655 1 8 . 1 1 52 52 LEU H H 52 8.169 8.169 7.988 0.181 19327 2656 1 8 . 1 1 53 53 ASP N N 53 120.042 120.042 119.893 0.149 19327 2657 1 8 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.473 -0.051 19327 2658 1 8 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.426 -0.678 19327 2659 1 8 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.821 -0.981 19327 2660 1 8 . 1 1 53 53 ASP H H 53 7.515 7.515 8.477 -0.962 19327 2661 1 8 . 1 1 54 54 ALA N N 54 123.542 123.542 122.237 1.305 19327 2662 1 8 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.916 0.294 19327 2663 1 8 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.274 -0.474 19327 2664 1 8 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.498 -0.056 19327 2665 1 8 . 1 1 54 54 ALA H H 54 8.806 8.806 8.143 0.663 19327 2666 1 8 . 1 1 55 55 ARG N N 55 117.281 117.281 118.095 -0.814 19327 2667 1 8 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.851 -0.109 19327 2668 1 8 . 1 1 55 55 ARG CA C 55 60.301 60.301 60.109 0.192 19327 2669 1 8 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.153 0.114 19327 2670 1 8 . 1 1 55 55 ARG H H 55 7.869 7.869 7.671 0.198 19327 2671 1 8 . 1 1 56 56 GLU N N 56 116.048 116.048 118.415 -2.367 19327 2672 1 8 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.987 0.022 19327 2673 1 8 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.520 -0.680 19327 2674 1 8 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.317 -0.627 19327 2675 1 8 . 1 1 56 56 GLU H H 56 7.638 7.638 8.032 -0.394 19327 2676 1 8 . 1 1 57 57 ASP N N 57 120.238 120.238 120.978 -0.740 19327 2677 1 8 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.469 -0.085 19327 2678 1 8 . 1 1 57 57 ASP CA C 57 57.474 57.474 56.851 0.623 19327 2679 1 8 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.798 1.734 19327 2680 1 8 . 1 1 57 57 ASP H H 57 8.126 8.126 7.968 0.158 19327 2681 1 8 . 1 1 58 58 LEU N N 58 117.410 117.410 120.087 -2.677 19327 2682 1 8 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.862 -0.001 19327 2683 1 8 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.320 -0.724 19327 2684 1 8 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.925 -0.311 19327 2685 1 8 . 1 1 58 58 LEU H H 58 8.172 8.172 8.123 0.049 19327 2686 1 8 . 1 1 59 59 ILE N N 59 118.841 118.841 118.731 0.110 19327 2687 1 8 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.550 -0.247 19327 2688 1 8 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.501 0.256 19327 2689 1 8 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.488 0.075 19327 2690 1 8 . 1 1 59 59 ILE H H 59 8.028 8.028 8.331 -0.303 19327 2691 1 8 . 1 1 60 60 LYS N N 60 119.525 119.525 120.556 -1.031 19327 2692 1 8 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.925 0.169 19327 2693 1 8 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.093 -0.340 19327 2694 1 8 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.239 -0.104 19327 2695 1 8 . 1 1 60 60 LYS H H 60 7.895 7.895 7.975 -0.080 19327 2696 1 8 . 1 1 61 61 LYS N N 61 119.257 119.257 118.596 0.661 19327 2697 1 8 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.032 -0.045 19327 2698 1 8 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.450 -0.176 19327 2699 1 8 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.354 1.190 19327 2700 1 8 . 1 1 61 61 LYS H H 61 8.086 8.086 7.961 0.125 19327 2701 1 8 . 1 1 62 62 ALA N N 62 122.326 122.326 122.115 0.211 19327 2702 1 8 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.035 -0.262 19327 2703 1 8 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.157 -0.120 19327 2704 1 8 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.242 0.860 19327 2705 1 8 . 1 1 62 62 ALA H H 62 8.489 8.489 8.134 0.355 19327 2706 1 8 . 1 1 63 63 ASP N N 63 120.381 120.381 118.558 1.823 19327 2707 1 8 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.523 0.072 19327 2708 1 8 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.125 -0.045 19327 2709 1 8 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.253 -2.224 19327 2710 1 8 . 1 1 63 63 ASP H H 63 8.855 8.855 8.252 0.603 19327 2711 1 8 . 1 1 64 64 GLU N N 64 121.428 121.428 119.494 1.934 19327 2712 1 8 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.079 -0.002 19327 2713 1 8 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.688 0.207 19327 2714 1 8 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.702 -0.578 19327 2715 1 8 . 1 1 64 64 GLU H H 64 8.053 8.053 7.880 0.173 19327 2716 1 8 . 1 1 65 65 LYS N N 65 115.778 115.778 115.986 -0.208 19327 2717 1 8 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.250 0.070 19327 2718 1 8 . 1 1 65 65 LYS CA C 65 54.830 54.830 56.234 -1.404 19327 2719 1 8 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.689 0.330 19327 2720 1 8 . 1 1 65 65 LYS H H 65 7.186 7.186 7.765 -0.579 19327 2721 1 8 . 1 1 66 66 GLY N N 66 107.578 107.578 106.312 1.266 19327 2722 1 8 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.130 0.692 19327 2723 1 8 . 1 1 66 66 GLY H H 66 7.873 7.873 7.707 0.166 19327 2724 1 8 . 1 1 67 67 ALA N N 67 119.025 119.025 123.486 -4.461 19327 2725 1 8 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.157 -0.135 19327 2726 1 8 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.737 -1.038 19327 2727 1 8 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.220 1.990 19327 2728 1 8 . 1 1 67 67 ALA H H 67 7.927 7.927 7.712 0.215 19327 2729 1 8 . 1 1 68 68 ASP N N 68 116.686 116.686 124.421 -7.735 19327 2730 1 8 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.710 0.361 19327 2731 1 8 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.746 -1.145 19327 2732 1 8 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.067 2.941 19327 2733 1 8 . 1 1 68 68 ASP H H 68 8.793 8.793 8.550 0.243 19327 2734 1 8 . 1 1 69 69 VAL N N 69 118.623 118.623 118.035 0.588 19327 2735 1 8 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.380 0.750 19327 2736 1 8 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.895 -0.465 19327 2737 1 8 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.444 2.159 19327 2738 1 8 . 1 1 69 69 VAL H H 69 8.076 8.076 7.970 0.106 19327 2739 1 8 . 1 1 70 70 VAL N N 70 127.358 127.358 125.891 1.467 19327 2740 1 8 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.436 0.124 19327 2741 1 8 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.105 -1.161 19327 2742 1 8 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.930 1.503 19327 2743 1 8 . 1 1 70 70 VAL H H 70 8.724 8.724 8.966 -0.242 19327 2744 1 8 . 1 1 71 71 VAL N N 71 126.739 126.739 128.107 -1.368 19327 2745 1 8 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.602 -0.046 19327 2746 1 8 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.030 0.822 19327 2747 1 8 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.141 2.921 19327 2748 1 8 . 1 1 71 71 VAL H H 71 8.891 8.891 8.707 0.184 19327 2749 1 8 . 1 1 72 72 LEU N N 72 127.581 127.581 131.217 -3.636 19327 2750 1 8 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.432 0.016 19327 2751 1 8 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.240 0.480 19327 2752 1 8 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.884 1.747 19327 2753 1 8 . 1 1 72 72 LEU H H 72 8.802 8.802 8.710 0.092 19327 2754 1 8 . 1 1 73 73 THR N N 73 114.207 114.207 116.160 -1.953 19327 2755 1 8 . 1 1 73 73 THR HA H 73 4.420 4.420 4.131 0.289 19327 2756 1 8 . 1 1 73 73 THR CA C 73 61.516 61.516 63.712 -2.196 19327 2757 1 8 . 1 1 73 73 THR CB C 73 69.462 69.462 68.899 0.563 19327 2758 1 8 . 1 1 73 73 THR H H 73 8.631 8.631 8.200 0.431 19327 2759 1 8 . 1 1 74 74 SER N N 74 116.164 116.164 119.087 -2.923 19327 2760 1 8 . 1 1 74 74 SER HA H 74 4.542 4.542 4.178 0.364 19327 2761 1 8 . 1 1 74 74 SER CA C 74 58.066 58.066 58.289 -0.223 19327 2762 1 8 . 1 1 74 74 SER CB C 74 63.962 63.962 62.616 1.346 19327 2763 1 8 . 1 1 74 74 SER H H 74 8.137 8.137 7.556 0.581 19327 2764 1 8 . 1 1 75 75 GLY N N 75 110.048 110.048 109.935 0.113 19327 2765 1 8 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.652 -0.368 19327 2766 1 8 . 1 1 75 75 GLY H H 75 8.574 8.574 8.676 -0.102 19327 2767 1 8 . 1 1 76 76 GLN N N 76 119.520 119.520 116.941 2.579 19327 2768 1 8 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.011 0.488 19327 2769 1 8 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.508 -0.538 19327 2770 1 8 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.176 2.585 19327 2771 1 8 . 1 1 76 76 GLN H H 76 8.393 8.393 8.015 0.378 19327 2772 1 8 . 1 1 77 77 THR N N 77 113.213 113.213 114.931 -1.718 19327 2773 1 8 . 1 1 77 77 THR HA H 77 4.432 4.432 4.055 0.377 19327 2774 1 8 . 1 1 77 77 THR CA C 77 61.408 61.408 63.330 -1.922 19327 2775 1 8 . 1 1 77 77 THR CB C 77 69.786 69.786 69.034 0.752 19327 2776 1 8 . 1 1 77 77 THR H H 77 8.105 8.105 7.989 0.116 19327 2777 1 8 . 1 1 78 78 GLU N N 78 120.912 120.912 119.579 1.333 19327 2778 1 8 . 1 1 78 78 GLU HA H 78 4.248 4.248 4.078 0.170 19327 2779 1 8 . 1 1 78 78 GLU CA C 78 56.990 56.990 57.085 -0.095 19327 2780 1 8 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.685 1.104 19327 2781 1 8 . 1 1 78 78 GLU H H 78 8.454 8.454 8.325 0.129 19327 2782 1 8 . 1 1 79 79 ASN N N 79 117.094 117.094 118.390 -1.296 19327 2783 1 8 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.668 -0.063 19327 2784 1 8 . 1 1 79 79 ASN CA C 79 53.760 53.760 53.964 -0.204 19327 2785 1 8 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.303 -0.572 19327 2786 1 8 . 1 1 79 79 ASN H H 79 8.329 8.329 8.671 -0.342 19327 2787 1 8 . 1 1 80 80 LYS N N 80 118.942 118.942 121.512 -2.570 19327 2788 1 8 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.539 -0.232 19327 2789 1 8 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.103 0.013 19327 2790 1 8 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.708 0.670 19327 2791 1 8 . 1 1 80 80 LYS H H 80 7.910 7.910 7.868 0.042 19327 2792 1 8 . 1 1 81 81 ILE N N 81 119.677 119.677 119.981 -0.304 19327 2793 1 8 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.580 -0.274 19327 2794 1 8 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.766 0.760 19327 2795 1 8 . 1 1 81 81 ILE CB C 81 40.050 40.050 41.038 -0.988 19327 2796 1 8 . 1 1 81 81 ILE H H 81 8.341 8.341 7.845 0.496 19327 2797 1 8 . 1 1 82 82 HIS N N 82 121.812 121.812 119.469 2.343 19327 2798 1 8 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.600 0.176 19327 2799 1 8 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.123 -1.439 19327 2800 1 8 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.248 -1.319 19327 2801 1 8 . 1 1 82 82 HIS H H 82 8.472 8.472 8.381 0.091 19327 2802 1 8 . 1 1 83 83 GLY N N 83 111.641 111.641 108.438 3.203 19327 2803 1 8 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.794 0.330 19327 2804 1 8 . 1 1 83 83 GLY H H 83 8.334 8.334 8.067 0.267 19327 2805 1 8 . 1 1 84 84 THR N N 84 112.460 112.460 113.242 -0.782 19327 2806 1 8 . 1 1 84 84 THR HA H 84 5.037 5.037 5.092 -0.055 19327 2807 1 8 . 1 1 84 84 THR CA C 84 60.301 60.301 59.977 0.324 19327 2808 1 8 . 1 1 84 84 THR CB C 84 72.048 72.048 71.053 0.995 19327 2809 1 8 . 1 1 84 84 THR H H 84 8.125 8.125 7.590 0.535 19327 2810 1 8 . 1 1 85 85 ALA N N 85 122.513 122.513 126.460 -3.947 19327 2811 1 8 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.184 -0.225 19327 2812 1 8 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.891 0.379 19327 2813 1 8 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.588 1.255 19327 2814 1 8 . 1 1 85 85 ALA H H 85 8.841 8.841 8.927 -0.086 19327 2815 1 8 . 1 1 86 86 ASP N N 86 121.651 121.651 125.551 -3.900 19327 2816 1 8 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.932 0.266 19327 2817 1 8 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.602 -1.125 19327 2818 1 8 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.523 0.805 19327 2819 1 8 . 1 1 86 86 ASP H H 86 8.506 8.506 8.431 0.075 19327 2820 1 8 . 1 1 87 87 ILE N N 87 111.376 111.376 118.611 -7.235 19327 2821 1 8 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.163 0.216 19327 2822 1 8 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.970 -1.781 19327 2823 1 8 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.165 2.224 19327 2824 1 8 . 1 1 87 87 ILE H H 87 7.966 7.966 8.320 -0.354 19327 2825 1 8 . 1 1 88 88 TYR N N 88 118.138 118.138 126.047 -7.909 19327 2826 1 8 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.115 0.328 19327 2827 1 8 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.575 0.441 19327 2828 1 8 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.911 1.263 19327 2829 1 8 . 1 1 88 88 TYR H H 88 8.754 8.754 9.051 -0.297 19327 2830 1 8 . 1 1 89 89 LYS N N 89 123.705 123.705 120.917 2.788 19327 2831 1 8 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.192 -0.015 19327 2832 1 8 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.514 0.952 19327 2833 1 8 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.329 1.809 19327 2834 1 8 . 1 1 89 89 LYS H H 89 9.595 9.595 8.942 0.653 19327 2835 1 8 . 1 1 90 90 LYS N N 90 129.328 129.328 125.135 4.193 19327 2836 1 8 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.397 -0.577 19327 2837 1 8 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.648 1.018 19327 2838 1 8 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.196 -0.369 19327 2839 1 8 . 1 1 90 90 LYS H H 90 10.195 10.195 8.829 1.366 19327 2840 1 8 . 1 1 91 91 LYS N N 91 126.034 126.034 128.134 -2.100 19327 2841 1 8 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.175 -0.065 19327 2842 1 8 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.330 0.995 19327 2843 1 8 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.365 1.960 19327 2844 1 8 . 1 1 91 91 LYS H H 91 8.459 8.459 8.318 0.141 19327 2845 1 8 . 1 1 92 92 LEU N N 92 123.360 123.360 125.556 -2.196 19327 2846 1 8 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.381 -0.096 19327 2847 1 8 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.489 0.328 19327 2848 1 8 . 1 1 92 92 LEU CB C 92 42.315 42.315 40.620 1.695 19327 2849 1 8 . 1 1 92 92 LEU H H 92 8.266 8.266 8.278 -0.012 19327 2850 1 8 . 1 1 93 93 GLU N N 93 121.993 121.993 122.839 -0.846 19327 2851 1 8 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.426 -0.202 19327 2852 1 8 . 1 1 93 93 GLU CA C 93 55.832 55.832 56.019 -0.187 19327 2853 1 8 . 1 1 93 93 GLU CB C 93 30.425 30.425 31.366 -0.941 19327 2854 1 8 . 1 1 93 93 GLU H H 93 8.311 8.311 8.038 0.273 19327 2855 1 8 . 1 1 94 94 HIS N N 94 119.802 119.802 122.565 -2.763 19327 2856 1 8 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.725 -0.089 19327 2857 1 8 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.959 -0.900 19327 2858 1 8 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.728 -1.597 19327 2859 1 8 . 1 1 94 94 HIS H H 94 8.567 8.567 8.518 0.049 19327 2860 1 8 . 1 1 95 95 HIS N N 95 119.430 119.430 119.989 -0.559 19327 2861 1 8 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.890 -0.253 19327 2862 1 8 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.734 -0.560 19327 2863 1 8 . 1 1 95 95 HIS CB C 95 29.082 29.082 30.530 -1.448 19327 2864 1 8 . 1 1 95 95 HIS H H 95 8.600 8.600 8.011 0.589 19327 2865 1 9 . 1 1 23 23 GLU N N 23 117.829 117.829 121.231 -3.402 19327 2866 1 9 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.547 0.166 19327 2867 1 9 . 1 1 23 23 GLU C C 23 174.825 174.825 174.680 0.145 19327 2868 1 9 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.070 0.293 19327 2869 1 9 . 1 1 23 23 GLU CB C 23 32.640 32.640 33.116 -0.476 19327 2870 1 9 . 1 1 23 23 GLU H H 23 7.921 7.921 8.356 -0.435 19327 2871 1 9 . 1 1 24 24 ILE N N 24 123.913 123.913 124.909 -0.996 19327 2872 1 9 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.296 0.575 19327 2873 1 9 . 1 1 24 24 ILE C C 24 176.427 176.427 175.823 0.604 19327 2874 1 9 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.915 -0.627 19327 2875 1 9 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.968 1.290 19327 2876 1 9 . 1 1 24 24 ILE H H 24 8.873 8.873 8.736 0.137 19327 2877 1 9 . 1 1 25 25 MET N N 25 127.256 127.256 127.705 -0.449 19327 2878 1 9 . 1 1 25 25 MET HA H 25 4.761 4.761 4.808 -0.047 19327 2879 1 9 . 1 1 25 25 MET C C 25 175.735 175.735 174.922 0.813 19327 2880 1 9 . 1 1 25 25 MET CA C 25 54.339 54.339 54.155 0.184 19327 2881 1 9 . 1 1 25 25 MET CB C 25 37.347 37.347 36.384 0.963 19327 2882 1 9 . 1 1 25 25 MET H H 25 8.727 8.727 8.868 -0.141 19327 2883 1 9 . 1 1 26 26 LYS N N 26 123.671 123.671 122.411 1.260 19327 2884 1 9 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.273 0.042 19327 2885 1 9 . 1 1 26 26 LYS C C 26 178.259 178.259 177.317 0.942 19327 2886 1 9 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.254 0.471 19327 2887 1 9 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.348 -0.385 19327 2888 1 9 . 1 1 26 26 LYS H H 26 9.189 9.189 8.702 0.487 19327 2889 1 9 . 1 1 27 27 LYS N N 27 126.369 126.369 122.836 3.533 19327 2890 1 9 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.045 -0.181 19327 2891 1 9 . 1 1 27 27 LYS C C 27 177.241 177.241 178.364 -1.123 19327 2892 1 9 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.589 0.998 19327 2893 1 9 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.073 0.286 19327 2894 1 9 . 1 1 27 27 LYS H H 27 8.871 8.871 8.982 -0.111 19327 2895 1 9 . 1 1 28 28 THR N N 28 107.099 107.099 114.270 -7.171 19327 2896 1 9 . 1 1 28 28 THR HA H 28 4.135 4.135 4.220 -0.085 19327 2897 1 9 . 1 1 28 28 THR CA C 28 64.757 64.757 66.923 -2.166 19327 2898 1 9 . 1 1 28 28 THR CB C 28 68.084 68.084 68.386 -0.302 19327 2899 1 9 . 1 1 28 28 THR H H 28 8.110 8.110 8.326 -0.216 19327 2900 1 9 . 1 1 29 29 ASP N N 29 119.543 119.543 120.358 -0.815 19327 2901 1 9 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.443 0.143 19327 2902 1 9 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.779 -0.123 19327 2903 1 9 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.613 0.114 19327 2904 1 9 . 1 1 29 29 ASP H H 29 6.779 6.779 8.332 -1.553 19327 2905 1 9 . 1 1 30 30 PHE N N 30 123.437 123.437 120.475 2.962 19327 2906 1 9 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.123 -0.187 19327 2907 1 9 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.935 -0.073 19327 2908 1 9 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.166 -0.137 19327 2909 1 9 . 1 1 30 30 PHE H H 30 8.633 8.633 8.104 0.529 19327 2910 1 9 . 1 1 31 31 ASP N N 31 117.040 117.040 119.221 -2.181 19327 2911 1 9 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.199 -0.049 19327 2912 1 9 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.786 -0.711 19327 2913 1 9 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.161 -0.175 19327 2914 1 9 . 1 1 31 31 ASP H H 31 8.650 8.650 8.512 0.138 19327 2915 1 9 . 1 1 32 32 LYS N N 32 114.800 114.800 117.414 -2.614 19327 2916 1 9 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.077 0.037 19327 2917 1 9 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.363 0.024 19327 2918 1 9 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.767 0.488 19327 2919 1 9 . 1 1 32 32 LYS H H 32 6.927 6.927 7.726 -0.799 19327 2920 1 9 . 1 1 33 33 VAL N N 33 109.380 109.380 110.197 -0.817 19327 2921 1 9 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.444 0.175 19327 2922 1 9 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.373 -0.313 19327 2923 1 9 . 1 1 33 33 VAL CB C 33 32.434 32.434 32.258 0.176 19327 2924 1 9 . 1 1 33 33 VAL H H 33 7.404 7.404 7.426 -0.022 19327 2925 1 9 . 1 1 34 34 ALA N N 34 124.530 124.530 125.891 -1.361 19327 2926 1 9 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.237 -0.221 19327 2927 1 9 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.135 0.130 19327 2928 1 9 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.226 1.169 19327 2929 1 9 . 1 1 34 34 ALA H H 34 6.714 6.714 7.674 -0.960 19327 2930 1 9 . 1 1 35 35 SER N N 35 110.547 110.547 112.170 -1.623 19327 2931 1 9 . 1 1 35 35 SER HA H 35 4.324 4.324 4.100 0.224 19327 2932 1 9 . 1 1 35 35 SER CA C 35 60.456 60.456 61.348 -0.892 19327 2933 1 9 . 1 1 35 35 SER CB C 35 62.536 62.536 62.820 -0.284 19327 2934 1 9 . 1 1 35 35 SER H H 35 8.121 8.121 8.410 -0.289 19327 2935 1 9 . 1 1 36 36 GLU N N 36 119.216 119.216 117.759 1.457 19327 2936 1 9 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.231 0.042 19327 2937 1 9 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.344 0.442 19327 2938 1 9 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.468 -0.383 19327 2939 1 9 . 1 1 36 36 GLU H H 36 8.305 8.305 7.543 0.762 19327 2940 1 9 . 1 1 37 37 TYR N N 37 117.179 117.179 117.924 -0.745 19327 2941 1 9 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.347 -0.197 19327 2942 1 9 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.660 1.296 19327 2943 1 9 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.687 1.553 19327 2944 1 9 . 1 1 37 37 TYR H H 37 7.922 7.922 7.731 0.191 19327 2945 1 9 . 1 1 38 38 THR N N 38 115.546 115.546 115.484 0.062 19327 2946 1 9 . 1 1 38 38 THR HA H 38 4.843 4.843 4.831 0.012 19327 2947 1 9 . 1 1 38 38 THR CA C 38 60.454 60.454 60.657 -0.203 19327 2948 1 9 . 1 1 38 38 THR CB C 38 71.300 71.300 70.766 0.534 19327 2949 1 9 . 1 1 38 38 THR H H 38 9.483 9.483 9.278 0.205 19327 2950 1 9 . 1 1 39 39 LYS N N 39 130.415 130.415 129.371 1.044 19327 2951 1 9 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.464 0.419 19327 2952 1 9 . 1 1 39 39 LYS CA C 39 57.615 57.615 55.920 1.694 19327 2953 1 9 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.254 1.336 19327 2954 1 9 . 1 1 39 39 LYS H H 39 9.290 9.290 8.928 0.362 19327 2955 1 9 . 1 1 40 40 ILE N N 40 122.004 122.004 121.485 0.519 19327 2956 1 9 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.458 0.100 19327 2957 1 9 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.664 0.388 19327 2958 1 9 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.738 0.619 19327 2959 1 9 . 1 1 40 40 ILE H H 40 8.819 8.819 8.257 0.562 19327 2960 1 9 . 1 1 41 41 GLY N N 41 107.582 107.582 108.295 -0.713 19327 2961 1 9 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.326 -0.120 19327 2962 1 9 . 1 1 41 41 GLY H H 41 7.136 7.136 7.305 -0.169 19327 2963 1 9 . 1 1 42 42 THR N N 42 115.052 115.052 115.224 -0.172 19327 2964 1 9 . 1 1 42 42 THR HA H 42 5.237 5.237 5.141 0.096 19327 2965 1 9 . 1 1 42 42 THR CA C 42 60.959 60.959 61.453 -0.494 19327 2966 1 9 . 1 1 42 42 THR CB C 42 72.255 72.255 70.627 1.628 19327 2967 1 9 . 1 1 42 42 THR H H 42 8.218 8.218 8.203 0.015 19327 2968 1 9 . 1 1 43 43 ILE N N 43 118.029 118.029 122.268 -4.239 19327 2969 1 9 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.852 -0.065 19327 2970 1 9 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.093 0.459 19327 2971 1 9 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.970 1.731 19327 2972 1 9 . 1 1 43 43 ILE H H 43 9.129 9.129 8.908 0.221 19327 2973 1 9 . 1 1 44 44 SER N N 44 113.484 113.484 114.459 -0.975 19327 2974 1 9 . 1 1 44 44 SER HA H 44 5.252 5.252 5.508 -0.256 19327 2975 1 9 . 1 1 44 44 SER CA C 44 56.792 56.792 56.757 0.035 19327 2976 1 9 . 1 1 44 44 SER CB C 44 66.063 66.063 66.228 -0.165 19327 2977 1 9 . 1 1 44 44 SER H H 44 8.335 8.335 8.258 0.077 19327 2978 1 9 . 1 1 45 45 THR N N 45 113.454 113.454 114.034 -0.580 19327 2979 1 9 . 1 1 45 45 THR HA H 45 4.555 4.555 4.740 -0.185 19327 2980 1 9 . 1 1 45 45 THR CA C 45 60.871 60.871 61.077 -0.206 19327 2981 1 9 . 1 1 45 45 THR CB C 45 70.060 70.060 69.892 0.168 19327 2982 1 9 . 1 1 45 45 THR H H 45 8.375 8.375 8.414 -0.039 19327 2983 1 9 . 1 1 46 46 THR N N 46 117.848 117.848 119.224 -1.376 19327 2984 1 9 . 1 1 46 46 THR HA H 46 4.401 4.401 4.167 0.234 19327 2985 1 9 . 1 1 46 46 THR CA C 46 62.097 62.097 63.015 -0.918 19327 2986 1 9 . 1 1 46 46 THR CB C 46 69.387 69.387 67.292 2.095 19327 2987 1 9 . 1 1 46 46 THR H H 46 8.542 8.542 8.710 -0.168 19327 2988 1 9 . 1 1 47 47 GLY N N 47 111.660 111.660 115.363 -3.703 19327 2989 1 9 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.448 0.435 19327 2990 1 9 . 1 1 47 47 GLY H H 47 8.325 8.325 7.614 0.711 19327 2991 1 9 . 1 1 48 48 GLU N N 48 120.153 120.153 121.415 -1.262 19327 2992 1 9 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.405 -0.009 19327 2993 1 9 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.673 -0.969 19327 2994 1 9 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.001 0.593 19327 2995 1 9 . 1 1 48 48 GLU H H 48 8.437 8.437 8.484 -0.047 19327 2996 1 9 . 1 1 49 49 MET N N 49 120.146 120.146 123.772 -3.626 19327 2997 1 9 . 1 1 49 49 MET HA H 49 4.696 4.696 4.680 0.016 19327 2998 1 9 . 1 1 49 49 MET CA C 49 55.028 55.028 54.519 0.509 19327 2999 1 9 . 1 1 49 49 MET CB C 49 36.079 36.079 35.684 0.395 19327 3000 1 9 . 1 1 49 49 MET H H 49 8.390 8.390 7.806 0.584 19327 3001 1 9 . 1 1 50 50 SER N N 50 118.105 118.105 116.712 1.393 19327 3002 1 9 . 1 1 50 50 SER HA H 50 4.780 4.780 4.535 0.245 19327 3003 1 9 . 1 1 50 50 SER CA C 50 56.822 56.822 56.616 0.206 19327 3004 1 9 . 1 1 50 50 SER CB C 50 62.631 62.631 62.840 -0.209 19327 3005 1 9 . 1 1 50 50 SER H H 50 9.023 9.023 8.438 0.585 19327 3006 1 9 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.158 0.083 19327 3007 1 9 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.474 0.604 19327 3008 1 9 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.714 0.293 19327 3009 1 9 . 1 1 52 52 LEU N N 52 117.624 117.624 119.117 -1.493 19327 3010 1 9 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.145 -0.033 19327 3011 1 9 . 1 1 52 52 LEU CA C 52 57.948 57.948 58.188 -0.240 19327 3012 1 9 . 1 1 52 52 LEU CB C 52 41.592 41.592 41.165 0.427 19327 3013 1 9 . 1 1 52 52 LEU H H 52 8.169 8.169 8.180 -0.011 19327 3014 1 9 . 1 1 53 53 ASP N N 53 120.042 120.042 119.850 0.192 19327 3015 1 9 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.307 0.115 19327 3016 1 9 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.525 -0.777 19327 3017 1 9 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.260 -0.420 19327 3018 1 9 . 1 1 53 53 ASP H H 53 7.515 7.515 7.869 -0.354 19327 3019 1 9 . 1 1 54 54 ALA N N 54 123.542 123.542 123.303 0.239 19327 3020 1 9 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.948 0.262 19327 3021 1 9 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.241 -0.441 19327 3022 1 9 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.586 -0.144 19327 3023 1 9 . 1 1 54 54 ALA H H 54 8.806 8.806 8.215 0.591 19327 3024 1 9 . 1 1 55 55 ARG N N 55 117.281 117.281 118.452 -1.171 19327 3025 1 9 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.913 -0.171 19327 3026 1 9 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.796 0.505 19327 3027 1 9 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.004 0.263 19327 3028 1 9 . 1 1 55 55 ARG H H 55 7.869 7.869 7.981 -0.112 19327 3029 1 9 . 1 1 56 56 GLU N N 56 116.048 116.048 118.985 -2.937 19327 3030 1 9 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.036 -0.027 19327 3031 1 9 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.476 -0.636 19327 3032 1 9 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.290 -0.600 19327 3033 1 9 . 1 1 56 56 GLU H H 56 7.638 7.638 8.012 -0.374 19327 3034 1 9 . 1 1 57 57 ASP N N 57 120.238 120.238 120.246 -0.008 19327 3035 1 9 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.410 -0.026 19327 3036 1 9 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.375 0.099 19327 3037 1 9 . 1 1 57 57 ASP CB C 57 42.532 42.532 41.029 1.503 19327 3038 1 9 . 1 1 57 57 ASP H H 57 8.126 8.126 7.750 0.376 19327 3039 1 9 . 1 1 58 58 LEU N N 58 117.410 117.410 120.150 -2.740 19327 3040 1 9 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.940 -0.079 19327 3041 1 9 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.948 -0.352 19327 3042 1 9 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.921 -0.307 19327 3043 1 9 . 1 1 58 58 LEU H H 58 8.172 8.172 8.029 0.143 19327 3044 1 9 . 1 1 59 59 ILE N N 59 118.841 118.841 119.344 -0.503 19327 3045 1 9 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.497 -0.194 19327 3046 1 9 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.618 0.139 19327 3047 1 9 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.489 0.074 19327 3048 1 9 . 1 1 59 59 ILE H H 59 8.028 8.028 8.250 -0.222 19327 3049 1 9 . 1 1 60 60 LYS N N 60 119.525 119.525 120.144 -0.619 19327 3050 1 9 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.807 0.287 19327 3051 1 9 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.242 -0.490 19327 3052 1 9 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.331 -0.196 19327 3053 1 9 . 1 1 60 60 LYS H H 60 7.895 7.895 8.097 -0.202 19327 3054 1 9 . 1 1 61 61 LYS N N 61 119.257 119.257 118.819 0.438 19327 3055 1 9 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.220 -0.233 19327 3056 1 9 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.435 -0.161 19327 3057 1 9 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.425 1.119 19327 3058 1 9 . 1 1 61 61 LYS H H 61 8.086 8.086 8.051 0.035 19327 3059 1 9 . 1 1 62 62 ALA N N 62 122.326 122.326 121.458 0.868 19327 3060 1 9 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.029 -0.256 19327 3061 1 9 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.055 -0.018 19327 3062 1 9 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.182 0.920 19327 3063 1 9 . 1 1 62 62 ALA H H 62 8.489 8.489 8.029 0.460 19327 3064 1 9 . 1 1 63 63 ASP N N 63 120.381 120.381 119.080 1.301 19327 3065 1 9 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.479 0.116 19327 3066 1 9 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.050 0.030 19327 3067 1 9 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.189 -2.160 19327 3068 1 9 . 1 1 63 63 ASP H H 63 8.855 8.855 8.281 0.574 19327 3069 1 9 . 1 1 64 64 GLU N N 64 121.428 121.428 120.368 1.060 19327 3070 1 9 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.077 -0.000 19327 3071 1 9 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.655 0.240 19327 3072 1 9 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.740 -0.616 19327 3073 1 9 . 1 1 64 64 GLU H H 64 8.053 8.053 8.071 -0.018 19327 3074 1 9 . 1 1 65 65 LYS N N 65 115.778 115.778 115.733 0.045 19327 3075 1 9 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.413 -0.093 19327 3076 1 9 . 1 1 65 65 LYS CA C 65 54.830 54.830 54.840 -0.010 19327 3077 1 9 . 1 1 65 65 LYS CB C 65 33.019 33.019 31.991 1.028 19327 3078 1 9 . 1 1 65 65 LYS H H 65 7.186 7.186 7.726 -0.540 19327 3079 1 9 . 1 1 66 66 GLY N N 66 107.578 107.578 107.192 0.386 19327 3080 1 9 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.533 0.289 19327 3081 1 9 . 1 1 66 66 GLY H H 66 7.873 7.873 7.752 0.121 19327 3082 1 9 . 1 1 67 67 ALA N N 67 119.025 119.025 122.835 -3.810 19327 3083 1 9 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.320 -0.298 19327 3084 1 9 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.091 -0.392 19327 3085 1 9 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.602 1.608 19327 3086 1 9 . 1 1 67 67 ALA H H 67 7.927 7.927 7.930 -0.003 19327 3087 1 9 . 1 1 68 68 ASP N N 68 116.686 116.686 121.856 -5.170 19327 3088 1 9 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.765 0.306 19327 3089 1 9 . 1 1 68 68 ASP CA C 68 56.601 56.601 56.286 0.315 19327 3090 1 9 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.835 2.173 19327 3091 1 9 . 1 1 68 68 ASP H H 68 8.793 8.793 8.436 0.357 19327 3092 1 9 . 1 1 69 69 VAL N N 69 118.623 118.623 119.745 -1.122 19327 3093 1 9 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.152 0.978 19327 3094 1 9 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.172 -0.742 19327 3095 1 9 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.433 2.170 19327 3096 1 9 . 1 1 69 69 VAL H H 69 8.076 8.076 8.111 -0.035 19327 3097 1 9 . 1 1 70 70 VAL N N 70 127.358 127.358 127.061 0.297 19327 3098 1 9 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.259 0.301 19327 3099 1 9 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.433 -1.490 19327 3100 1 9 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.496 1.937 19327 3101 1 9 . 1 1 70 70 VAL H H 70 8.724 8.724 8.919 -0.195 19327 3102 1 9 . 1 1 71 71 VAL N N 71 126.739 126.739 127.759 -1.020 19327 3103 1 9 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.448 0.108 19327 3104 1 9 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.828 0.024 19327 3105 1 9 . 1 1 71 71 VAL CB C 71 34.062 34.062 32.298 1.764 19327 3106 1 9 . 1 1 71 71 VAL H H 71 8.891 8.891 8.724 0.167 19327 3107 1 9 . 1 1 72 72 LEU N N 72 127.581 127.581 129.177 -1.596 19327 3108 1 9 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.229 0.219 19327 3109 1 9 . 1 1 72 72 LEU CA C 72 55.720 55.720 54.979 0.741 19327 3110 1 9 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.354 2.277 19327 3111 1 9 . 1 1 72 72 LEU H H 72 8.802 8.802 8.487 0.315 19327 3112 1 9 . 1 1 73 73 THR N N 73 114.207 114.207 116.959 -2.752 19327 3113 1 9 . 1 1 73 73 THR HA H 73 4.420 4.420 4.272 0.148 19327 3114 1 9 . 1 1 73 73 THR CA C 73 61.516 61.516 62.921 -1.405 19327 3115 1 9 . 1 1 73 73 THR CB C 73 69.462 69.462 68.735 0.727 19327 3116 1 9 . 1 1 73 73 THR H H 73 8.631 8.631 8.289 0.342 19327 3117 1 9 . 1 1 74 74 SER N N 74 116.164 116.164 118.082 -1.918 19327 3118 1 9 . 1 1 74 74 SER HA H 74 4.542 4.542 4.254 0.288 19327 3119 1 9 . 1 1 74 74 SER CA C 74 58.066 58.066 59.803 -1.737 19327 3120 1 9 . 1 1 74 74 SER CB C 74 63.962 63.962 63.541 0.421 19327 3121 1 9 . 1 1 74 74 SER H H 74 8.137 8.137 7.764 0.373 19327 3122 1 9 . 1 1 75 75 GLY N N 75 110.048 110.048 109.941 0.107 19327 3123 1 9 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.707 0.577 19327 3124 1 9 . 1 1 75 75 GLY H H 75 8.574 8.574 7.413 1.161 19327 3125 1 9 . 1 1 76 76 GLN N N 76 119.520 119.520 123.715 -4.195 19327 3126 1 9 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.252 0.247 19327 3127 1 9 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.117 -0.148 19327 3128 1 9 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.905 1.856 19327 3129 1 9 . 1 1 76 76 GLN H H 76 8.393 8.393 8.634 -0.241 19327 3130 1 9 . 1 1 77 77 THR N N 77 113.213 113.213 120.777 -7.564 19327 3131 1 9 . 1 1 77 77 THR HA H 77 4.432 4.432 4.215 0.217 19327 3132 1 9 . 1 1 77 77 THR CA C 77 61.408 61.408 61.927 -0.519 19327 3133 1 9 . 1 1 77 77 THR CB C 77 69.786 69.786 69.189 0.597 19327 3134 1 9 . 1 1 77 77 THR H H 77 8.105 8.105 8.383 -0.278 19327 3135 1 9 . 1 1 78 78 GLU N N 78 120.912 120.912 119.915 0.997 19327 3136 1 9 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.825 0.423 19327 3137 1 9 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.777 -1.787 19327 3138 1 9 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.837 1.952 19327 3139 1 9 . 1 1 78 78 GLU H H 78 8.454 8.454 8.641 -0.187 19327 3140 1 9 . 1 1 79 79 ASN N N 79 117.094 117.094 119.615 -2.521 19327 3141 1 9 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.540 0.065 19327 3142 1 9 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.986 -1.226 19327 3143 1 9 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.245 -0.514 19327 3144 1 9 . 1 1 79 79 ASN H H 79 8.329 8.329 8.200 0.129 19327 3145 1 9 . 1 1 80 80 LYS N N 80 118.942 118.942 120.595 -1.653 19327 3146 1 9 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.505 -0.198 19327 3147 1 9 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.780 0.336 19327 3148 1 9 . 1 1 80 80 LYS CB C 80 33.378 33.378 31.876 1.502 19327 3149 1 9 . 1 1 80 80 LYS H H 80 7.910 7.910 8.147 -0.237 19327 3150 1 9 . 1 1 81 81 ILE N N 81 119.677 119.677 120.597 -0.920 19327 3151 1 9 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.611 -0.305 19327 3152 1 9 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.863 0.663 19327 3153 1 9 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.658 -0.608 19327 3154 1 9 . 1 1 81 81 ILE H H 81 8.341 8.341 8.382 -0.041 19327 3155 1 9 . 1 1 82 82 HIS N N 82 121.812 121.812 115.112 6.700 19327 3156 1 9 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.818 -0.042 19327 3157 1 9 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.691 -1.008 19327 3158 1 9 . 1 1 82 82 HIS CB C 82 28.930 28.930 31.838 -2.909 19327 3159 1 9 . 1 1 82 82 HIS H H 82 8.472 8.472 8.406 0.066 19327 3160 1 9 . 1 1 83 83 GLY N N 83 111.641 111.641 110.493 1.148 19327 3161 1 9 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.667 0.457 19327 3162 1 9 . 1 1 83 83 GLY H H 83 8.334 8.334 7.325 1.009 19327 3163 1 9 . 1 1 84 84 THR N N 84 112.460 112.460 118.594 -6.134 19327 3164 1 9 . 1 1 84 84 THR HA H 84 5.037 5.037 4.865 0.172 19327 3165 1 9 . 1 1 84 84 THR CA C 84 60.301 60.301 61.190 -0.889 19327 3166 1 9 . 1 1 84 84 THR CB C 84 72.048 72.048 70.320 1.728 19327 3167 1 9 . 1 1 84 84 THR H H 84 8.125 8.125 7.876 0.249 19327 3168 1 9 . 1 1 85 85 ALA N N 85 122.513 122.513 128.372 -5.859 19327 3169 1 9 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.269 -0.310 19327 3170 1 9 . 1 1 85 85 ALA CA C 85 51.270 51.270 49.831 1.439 19327 3171 1 9 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.701 1.142 19327 3172 1 9 . 1 1 85 85 ALA H H 85 8.841 8.841 8.869 -0.028 19327 3173 1 9 . 1 1 86 86 ASP N N 86 121.651 121.651 124.652 -3.001 19327 3174 1 9 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.864 0.334 19327 3175 1 9 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.246 -0.769 19327 3176 1 9 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.449 0.880 19327 3177 1 9 . 1 1 86 86 ASP H H 86 8.506 8.506 8.269 0.237 19327 3178 1 9 . 1 1 87 87 ILE N N 87 111.376 111.376 120.317 -8.941 19327 3179 1 9 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.043 0.336 19327 3180 1 9 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.784 -1.595 19327 3181 1 9 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.356 2.033 19327 3182 1 9 . 1 1 87 87 ILE H H 87 7.966 7.966 8.312 -0.346 19327 3183 1 9 . 1 1 88 88 TYR N N 88 118.138 118.138 125.350 -7.212 19327 3184 1 9 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.549 -0.106 19327 3185 1 9 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.441 0.576 19327 3186 1 9 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.280 0.894 19327 3187 1 9 . 1 1 88 88 TYR H H 88 8.754 8.754 8.967 -0.213 19327 3188 1 9 . 1 1 89 89 LYS N N 89 123.705 123.705 121.877 1.828 19327 3189 1 9 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.098 0.079 19327 3190 1 9 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.260 0.207 19327 3191 1 9 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.921 1.217 19327 3192 1 9 . 1 1 89 89 LYS H H 89 9.595 9.595 8.987 0.608 19327 3193 1 9 . 1 1 90 90 LYS N N 90 129.328 129.328 128.623 0.705 19327 3194 1 9 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.597 -0.777 19327 3195 1 9 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.855 0.811 19327 3196 1 9 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.020 -0.194 19327 3197 1 9 . 1 1 90 90 LYS H H 90 10.195 10.195 8.774 1.421 19327 3198 1 9 . 1 1 91 91 LYS N N 91 126.034 126.034 127.917 -1.883 19327 3199 1 9 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.174 -0.064 19327 3200 1 9 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.889 0.436 19327 3201 1 9 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.846 1.479 19327 3202 1 9 . 1 1 91 91 LYS H H 91 8.459 8.459 8.395 0.064 19327 3203 1 9 . 1 1 92 92 LEU N N 92 123.360 123.360 127.167 -3.807 19327 3204 1 9 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.675 -0.390 19327 3205 1 9 . 1 1 92 92 LEU CA C 92 54.817 54.817 53.724 1.093 19327 3206 1 9 . 1 1 92 92 LEU CB C 92 42.315 42.315 41.825 0.490 19327 3207 1 9 . 1 1 92 92 LEU H H 92 8.266 8.266 8.525 -0.259 19327 3208 1 9 . 1 1 93 93 GLU N N 93 121.993 121.993 124.284 -2.291 19327 3209 1 9 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.056 0.168 19327 3210 1 9 . 1 1 93 93 GLU CA C 93 55.832 55.832 58.089 -2.257 19327 3211 1 9 . 1 1 93 93 GLU CB C 93 30.425 30.425 29.918 0.507 19327 3212 1 9 . 1 1 93 93 GLU H H 93 8.311 8.311 8.857 -0.546 19327 3213 1 9 . 1 1 94 94 HIS N N 94 119.802 119.802 119.200 0.602 19327 3214 1 9 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.831 -0.195 19327 3215 1 9 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.290 -0.231 19327 3216 1 9 . 1 1 94 94 HIS CB C 94 29.131 29.131 28.775 0.356 19327 3217 1 9 . 1 1 94 94 HIS H H 94 8.567 8.567 8.424 0.143 19327 3218 1 9 . 1 1 95 95 HIS N N 95 119.430 119.430 126.272 -6.842 19327 3219 1 9 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.748 -0.111 19327 3220 1 9 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.509 -0.335 19327 3221 1 9 . 1 1 95 95 HIS CB C 95 29.082 29.082 28.635 0.447 19327 3222 1 9 . 1 1 95 95 HIS H H 95 8.600 8.600 8.937 -0.337 19327 3223 1 10 . 1 1 23 23 GLU N N 23 117.829 117.829 117.276 0.553 19327 3224 1 10 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.617 0.096 19327 3225 1 10 . 1 1 23 23 GLU C C 23 174.825 174.825 174.422 0.403 19327 3226 1 10 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.696 -0.333 19327 3227 1 10 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.844 -0.204 19327 3228 1 10 . 1 1 23 23 GLU H H 23 7.921 7.921 8.462 -0.541 19327 3229 1 10 . 1 1 24 24 ILE N N 24 123.913 123.913 123.116 0.797 19327 3230 1 10 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.607 0.264 19327 3231 1 10 . 1 1 24 24 ILE C C 24 176.427 176.427 175.959 0.468 19327 3232 1 10 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.385 -0.097 19327 3233 1 10 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.758 0.499 19327 3234 1 10 . 1 1 24 24 ILE H H 24 8.873 8.873 8.616 0.257 19327 3235 1 10 . 1 1 25 25 MET N N 25 127.256 127.256 127.663 -0.407 19327 3236 1 10 . 1 1 25 25 MET HA H 25 4.761 4.761 4.832 -0.071 19327 3237 1 10 . 1 1 25 25 MET C C 25 175.735 175.735 174.851 0.884 19327 3238 1 10 . 1 1 25 25 MET CA C 25 54.339 54.339 54.268 0.071 19327 3239 1 10 . 1 1 25 25 MET CB C 25 37.347 37.347 36.711 0.636 19327 3240 1 10 . 1 1 25 25 MET H H 25 8.727 8.727 9.021 -0.294 19327 3241 1 10 . 1 1 26 26 LYS N N 26 123.671 123.671 121.645 2.026 19327 3242 1 10 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.368 -0.053 19327 3243 1 10 . 1 1 26 26 LYS C C 26 178.259 178.259 177.372 0.887 19327 3244 1 10 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.112 0.613 19327 3245 1 10 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.386 -0.423 19327 3246 1 10 . 1 1 26 26 LYS H H 26 9.189 9.189 8.692 0.497 19327 3247 1 10 . 1 1 27 27 LYS N N 27 126.369 126.369 122.998 3.371 19327 3248 1 10 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.077 -0.213 19327 3249 1 10 . 1 1 27 27 LYS C C 27 177.241 177.241 178.398 -1.157 19327 3250 1 10 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.844 0.743 19327 3251 1 10 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.167 0.192 19327 3252 1 10 . 1 1 27 27 LYS H H 27 8.871 8.871 9.006 -0.135 19327 3253 1 10 . 1 1 28 28 THR N N 28 107.099 107.099 113.953 -6.854 19327 3254 1 10 . 1 1 28 28 THR HA H 28 4.135 4.135 4.297 -0.162 19327 3255 1 10 . 1 1 28 28 THR CA C 28 64.757 64.757 66.995 -2.238 19327 3256 1 10 . 1 1 28 28 THR CB C 28 68.084 68.084 68.274 -0.190 19327 3257 1 10 . 1 1 28 28 THR H H 28 8.110 8.110 8.447 -0.337 19327 3258 1 10 . 1 1 29 29 ASP N N 29 119.543 119.543 120.715 -1.172 19327 3259 1 10 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.454 0.132 19327 3260 1 10 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.196 -0.540 19327 3261 1 10 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.453 0.274 19327 3262 1 10 . 1 1 29 29 ASP H H 29 6.779 6.779 8.464 -1.685 19327 3263 1 10 . 1 1 30 30 PHE N N 30 123.437 123.437 121.042 2.395 19327 3264 1 10 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.153 -0.217 19327 3265 1 10 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.574 0.288 19327 3266 1 10 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.362 -0.332 19327 3267 1 10 . 1 1 30 30 PHE H H 30 8.633 8.633 8.066 0.567 19327 3268 1 10 . 1 1 31 31 ASP N N 31 117.040 117.040 119.474 -2.434 19327 3269 1 10 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.044 0.106 19327 3270 1 10 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.343 -0.268 19327 3271 1 10 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.077 -0.091 19327 3272 1 10 . 1 1 31 31 ASP H H 31 8.650 8.650 8.304 0.346 19327 3273 1 10 . 1 1 32 32 LYS N N 32 114.800 114.800 119.397 -4.597 19327 3274 1 10 . 1 1 32 32 LYS HA H 32 4.114 4.114 3.984 0.130 19327 3275 1 10 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.834 -0.447 19327 3276 1 10 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.654 0.601 19327 3277 1 10 . 1 1 32 32 LYS H H 32 6.927 6.927 7.567 -0.640 19327 3278 1 10 . 1 1 33 33 VAL N N 33 109.380 109.380 111.367 -1.987 19327 3279 1 10 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.380 0.239 19327 3280 1 10 . 1 1 33 33 VAL CA C 33 60.060 60.060 59.936 0.124 19327 3281 1 10 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.261 1.173 19327 3282 1 10 . 1 1 33 33 VAL H H 33 7.404 7.404 7.436 -0.032 19327 3283 1 10 . 1 1 34 34 ALA N N 34 124.530 124.530 125.790 -1.260 19327 3284 1 10 . 1 1 34 34 ALA HA H 34 3.016 3.016 2.896 0.120 19327 3285 1 10 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.895 0.369 19327 3286 1 10 . 1 1 34 34 ALA CB C 34 19.394 19.394 17.869 1.525 19327 3287 1 10 . 1 1 34 34 ALA H H 34 6.714 6.714 7.425 -0.711 19327 3288 1 10 . 1 1 35 35 SER N N 35 110.547 110.547 112.243 -1.696 19327 3289 1 10 . 1 1 35 35 SER HA H 35 4.324 4.324 4.125 0.199 19327 3290 1 10 . 1 1 35 35 SER CA C 35 60.456 60.456 61.234 -0.778 19327 3291 1 10 . 1 1 35 35 SER CB C 35 62.536 62.536 62.754 -0.218 19327 3292 1 10 . 1 1 35 35 SER H H 35 8.121 8.121 8.340 -0.219 19327 3293 1 10 . 1 1 36 36 GLU N N 36 119.216 119.216 118.462 0.754 19327 3294 1 10 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.172 0.101 19327 3295 1 10 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.682 0.105 19327 3296 1 10 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.560 -0.475 19327 3297 1 10 . 1 1 36 36 GLU H H 36 8.305 8.305 7.616 0.689 19327 3298 1 10 . 1 1 37 37 TYR N N 37 117.179 117.179 117.290 -0.111 19327 3299 1 10 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.574 -0.424 19327 3300 1 10 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.782 1.174 19327 3301 1 10 . 1 1 37 37 TYR CB C 37 44.240 44.240 41.899 2.341 19327 3302 1 10 . 1 1 37 37 TYR H H 37 7.922 7.922 7.754 0.168 19327 3303 1 10 . 1 1 38 38 THR N N 38 115.546 115.546 118.381 -2.835 19327 3304 1 10 . 1 1 38 38 THR HA H 38 4.843 4.843 4.855 -0.012 19327 3305 1 10 . 1 1 38 38 THR CA C 38 60.454 60.454 60.236 0.218 19327 3306 1 10 . 1 1 38 38 THR CB C 38 71.300 71.300 71.036 0.264 19327 3307 1 10 . 1 1 38 38 THR H H 38 9.483 9.483 9.187 0.296 19327 3308 1 10 . 1 1 39 39 LYS N N 39 130.415 130.415 130.293 0.122 19327 3309 1 10 . 1 1 39 39 LYS HA H 39 3.883 3.883 4.150 -0.267 19327 3310 1 10 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.839 0.776 19327 3311 1 10 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.496 0.094 19327 3312 1 10 . 1 1 39 39 LYS H H 39 9.290 9.290 9.000 0.290 19327 3313 1 10 . 1 1 40 40 ILE N N 40 122.004 122.004 122.195 -0.191 19327 3314 1 10 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.491 0.067 19327 3315 1 10 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.484 0.568 19327 3316 1 10 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.816 0.541 19327 3317 1 10 . 1 1 40 40 ILE H H 40 8.819 8.819 8.464 0.355 19327 3318 1 10 . 1 1 41 41 GLY N N 41 107.582 107.582 108.534 -0.952 19327 3319 1 10 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.372 -0.166 19327 3320 1 10 . 1 1 41 41 GLY H H 41 7.136 7.136 7.342 -0.206 19327 3321 1 10 . 1 1 42 42 THR N N 42 115.052 115.052 115.724 -0.672 19327 3322 1 10 . 1 1 42 42 THR HA H 42 5.237 5.237 4.877 0.360 19327 3323 1 10 . 1 1 42 42 THR CA C 42 60.959 60.959 61.734 -0.776 19327 3324 1 10 . 1 1 42 42 THR CB C 42 72.255 72.255 70.778 1.477 19327 3325 1 10 . 1 1 42 42 THR H H 42 8.218 8.218 8.207 0.011 19327 3326 1 10 . 1 1 43 43 ILE N N 43 118.029 118.029 122.408 -4.379 19327 3327 1 10 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.637 0.150 19327 3328 1 10 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.496 0.056 19327 3329 1 10 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.813 1.888 19327 3330 1 10 . 1 1 43 43 ILE H H 43 9.129 9.129 8.877 0.252 19327 3331 1 10 . 1 1 44 44 SER N N 44 113.484 113.484 119.125 -5.641 19327 3332 1 10 . 1 1 44 44 SER HA H 44 5.252 5.252 4.915 0.337 19327 3333 1 10 . 1 1 44 44 SER CA C 44 56.792 56.792 56.336 0.456 19327 3334 1 10 . 1 1 44 44 SER CB C 44 66.063 66.063 65.117 0.946 19327 3335 1 10 . 1 1 44 44 SER H H 44 8.335 8.335 8.538 -0.203 19327 3336 1 10 . 1 1 45 45 THR N N 45 113.454 113.454 118.188 -4.734 19327 3337 1 10 . 1 1 45 45 THR HA H 45 4.555 4.555 4.628 -0.073 19327 3338 1 10 . 1 1 45 45 THR CA C 45 60.871 60.871 61.534 -0.663 19327 3339 1 10 . 1 1 45 45 THR CB C 45 70.060 70.060 69.954 0.106 19327 3340 1 10 . 1 1 45 45 THR H H 45 8.375 8.375 8.242 0.133 19327 3341 1 10 . 1 1 46 46 THR N N 46 117.848 117.848 111.107 6.741 19327 3342 1 10 . 1 1 46 46 THR HA H 46 4.401 4.401 4.168 0.233 19327 3343 1 10 . 1 1 46 46 THR CA C 46 62.097 62.097 63.236 -1.139 19327 3344 1 10 . 1 1 46 46 THR CB C 46 69.387 69.387 68.933 0.454 19327 3345 1 10 . 1 1 46 46 THR H H 46 8.542 8.542 8.570 -0.028 19327 3346 1 10 . 1 1 47 47 GLY N N 47 111.660 111.660 109.599 2.061 19327 3347 1 10 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.691 0.192 19327 3348 1 10 . 1 1 47 47 GLY H H 47 8.325 8.325 7.364 0.961 19327 3349 1 10 . 1 1 48 48 GLU N N 48 120.153 120.153 121.185 -1.032 19327 3350 1 10 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.189 0.207 19327 3351 1 10 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.676 -0.972 19327 3352 1 10 . 1 1 48 48 GLU CB C 48 29.594 29.594 27.612 1.982 19327 3353 1 10 . 1 1 48 48 GLU H H 48 8.437 8.437 8.594 -0.157 19327 3354 1 10 . 1 1 49 49 MET N N 49 120.146 120.146 123.358 -3.212 19327 3355 1 10 . 1 1 49 49 MET HA H 49 4.696 4.696 4.640 0.056 19327 3356 1 10 . 1 1 49 49 MET CA C 49 55.028 55.028 54.637 0.391 19327 3357 1 10 . 1 1 49 49 MET CB C 49 36.079 36.079 34.697 1.381 19327 3358 1 10 . 1 1 49 49 MET H H 49 8.390 8.390 7.721 0.669 19327 3359 1 10 . 1 1 50 50 SER N N 50 118.105 118.105 116.996 1.109 19327 3360 1 10 . 1 1 50 50 SER HA H 50 4.780 4.780 4.563 0.217 19327 3361 1 10 . 1 1 50 50 SER CA C 50 56.822 56.822 57.442 -0.620 19327 3362 1 10 . 1 1 50 50 SER CB C 50 62.631 62.631 63.113 -0.482 19327 3363 1 10 . 1 1 50 50 SER H H 50 9.023 9.023 8.685 0.338 19327 3364 1 10 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.266 -0.025 19327 3365 1 10 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.489 0.589 19327 3366 1 10 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.969 0.038 19327 3367 1 10 . 1 1 52 52 LEU N N 52 117.624 117.624 119.071 -1.447 19327 3368 1 10 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.097 0.015 19327 3369 1 10 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.840 0.108 19327 3370 1 10 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.718 0.874 19327 3371 1 10 . 1 1 52 52 LEU H H 52 8.169 8.169 8.219 -0.050 19327 3372 1 10 . 1 1 53 53 ASP N N 53 120.042 120.042 118.652 1.390 19327 3373 1 10 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.301 0.121 19327 3374 1 10 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.272 -0.524 19327 3375 1 10 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.673 -0.833 19327 3376 1 10 . 1 1 53 53 ASP H H 53 7.515 7.515 8.116 -0.601 19327 3377 1 10 . 1 1 54 54 ALA N N 54 123.542 123.542 122.950 0.592 19327 3378 1 10 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.975 0.235 19327 3379 1 10 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.976 -0.176 19327 3380 1 10 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.566 -0.124 19327 3381 1 10 . 1 1 54 54 ALA H H 54 8.806 8.806 8.110 0.696 19327 3382 1 10 . 1 1 55 55 ARG N N 55 117.281 117.281 119.091 -1.810 19327 3383 1 10 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.854 -0.112 19327 3384 1 10 . 1 1 55 55 ARG CA C 55 60.301 60.301 60.123 0.178 19327 3385 1 10 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.109 0.158 19327 3386 1 10 . 1 1 55 55 ARG H H 55 7.869 7.869 8.129 -0.260 19327 3387 1 10 . 1 1 56 56 GLU N N 56 116.048 116.048 117.602 -1.554 19327 3388 1 10 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.953 0.056 19327 3389 1 10 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.371 -0.531 19327 3390 1 10 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.250 -0.560 19327 3391 1 10 . 1 1 56 56 GLU H H 56 7.638 7.638 8.076 -0.438 19327 3392 1 10 . 1 1 57 57 ASP N N 57 120.238 120.238 121.013 -0.775 19327 3393 1 10 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.436 -0.052 19327 3394 1 10 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.096 0.378 19327 3395 1 10 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.849 1.683 19327 3396 1 10 . 1 1 57 57 ASP H H 57 8.126 8.126 7.625 0.501 19327 3397 1 10 . 1 1 58 58 LEU N N 58 117.410 117.410 119.929 -2.519 19327 3398 1 10 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.899 -0.038 19327 3399 1 10 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.075 -0.479 19327 3400 1 10 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.937 -0.323 19327 3401 1 10 . 1 1 58 58 LEU H H 58 8.172 8.172 7.907 0.265 19327 3402 1 10 . 1 1 59 59 ILE N N 59 118.841 118.841 119.135 -0.294 19327 3403 1 10 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.460 -0.157 19327 3404 1 10 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.634 0.123 19327 3405 1 10 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.328 0.235 19327 3406 1 10 . 1 1 59 59 ILE H H 59 8.028 8.028 8.566 -0.538 19327 3407 1 10 . 1 1 60 60 LYS N N 60 119.525 119.525 120.438 -0.913 19327 3408 1 10 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.801 0.293 19327 3409 1 10 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.076 -0.323 19327 3410 1 10 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.245 -0.111 19327 3411 1 10 . 1 1 60 60 LYS H H 60 7.895 7.895 7.993 -0.098 19327 3412 1 10 . 1 1 61 61 LYS N N 61 119.257 119.257 118.406 0.851 19327 3413 1 10 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.020 -0.033 19327 3414 1 10 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.047 0.227 19327 3415 1 10 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.305 1.239 19327 3416 1 10 . 1 1 61 61 LYS H H 61 8.086 8.086 7.859 0.227 19327 3417 1 10 . 1 1 62 62 ALA N N 62 122.326 122.326 122.959 -0.633 19327 3418 1 10 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.880 -0.107 19327 3419 1 10 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.441 -0.404 19327 3420 1 10 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.168 0.934 19327 3421 1 10 . 1 1 62 62 ALA H H 62 8.489 8.489 8.051 0.438 19327 3422 1 10 . 1 1 63 63 ASP N N 63 120.381 120.381 118.022 2.359 19327 3423 1 10 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.363 0.232 19327 3424 1 10 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.537 -0.457 19327 3425 1 10 . 1 1 63 63 ASP CB C 63 39.029 39.029 40.695 -1.666 19327 3426 1 10 . 1 1 63 63 ASP H H 63 8.855 8.855 8.193 0.662 19327 3427 1 10 . 1 1 64 64 GLU N N 64 121.428 121.428 119.375 2.053 19327 3428 1 10 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.102 -0.025 19327 3429 1 10 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.403 0.492 19327 3430 1 10 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.369 -0.245 19327 3431 1 10 . 1 1 64 64 GLU H H 64 8.053 8.053 7.852 0.201 19327 3432 1 10 . 1 1 65 65 LYS N N 65 115.778 115.778 116.240 -0.462 19327 3433 1 10 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.383 -0.063 19327 3434 1 10 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.542 -0.712 19327 3435 1 10 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.280 0.739 19327 3436 1 10 . 1 1 65 65 LYS H H 65 7.186 7.186 7.917 -0.731 19327 3437 1 10 . 1 1 66 66 GLY N N 66 107.578 107.578 105.930 1.648 19327 3438 1 10 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.260 0.562 19327 3439 1 10 . 1 1 66 66 GLY H H 66 7.873 7.873 7.651 0.222 19327 3440 1 10 . 1 1 67 67 ALA N N 67 119.025 119.025 123.192 -4.167 19327 3441 1 10 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.151 -0.129 19327 3442 1 10 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.718 -1.019 19327 3443 1 10 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.371 1.839 19327 3444 1 10 . 1 1 67 67 ALA H H 67 7.927 7.927 7.829 0.098 19327 3445 1 10 . 1 1 68 68 ASP N N 68 116.686 116.686 121.260 -4.574 19327 3446 1 10 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.856 0.215 19327 3447 1 10 . 1 1 68 68 ASP CA C 68 56.601 56.601 56.321 0.280 19327 3448 1 10 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.800 2.208 19327 3449 1 10 . 1 1 68 68 ASP H H 68 8.793 8.793 8.400 0.393 19327 3450 1 10 . 1 1 69 69 VAL N N 69 118.623 118.623 119.166 -0.543 19327 3451 1 10 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.234 0.896 19327 3452 1 10 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.325 -0.895 19327 3453 1 10 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.840 2.763 19327 3454 1 10 . 1 1 69 69 VAL H H 69 8.076 8.076 8.003 0.073 19327 3455 1 10 . 1 1 70 70 VAL N N 70 127.358 127.358 127.100 0.258 19327 3456 1 10 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.498 0.062 19327 3457 1 10 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.085 -1.142 19327 3458 1 10 . 1 1 70 70 VAL CB C 70 34.433 34.433 33.108 1.325 19327 3459 1 10 . 1 1 70 70 VAL H H 70 8.724 8.724 8.871 -0.147 19327 3460 1 10 . 1 1 71 71 VAL N N 71 126.739 126.739 128.588 -1.849 19327 3461 1 10 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.574 -0.018 19327 3462 1 10 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.984 -0.132 19327 3463 1 10 . 1 1 71 71 VAL CB C 71 34.062 34.062 32.284 1.778 19327 3464 1 10 . 1 1 71 71 VAL H H 71 8.891 8.891 8.886 0.005 19327 3465 1 10 . 1 1 72 72 LEU N N 72 127.581 127.581 129.860 -2.279 19327 3466 1 10 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.261 0.187 19327 3467 1 10 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.383 0.337 19327 3468 1 10 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.395 1.236 19327 3469 1 10 . 1 1 72 72 LEU H H 72 8.802 8.802 8.268 0.534 19327 3470 1 10 . 1 1 73 73 THR N N 73 114.207 114.207 118.313 -4.106 19327 3471 1 10 . 1 1 73 73 THR HA H 73 4.420 4.420 4.306 0.114 19327 3472 1 10 . 1 1 73 73 THR CA C 73 61.516 61.516 63.488 -1.972 19327 3473 1 10 . 1 1 73 73 THR CB C 73 69.462 69.462 69.592 -0.130 19327 3474 1 10 . 1 1 73 73 THR H H 73 8.631 8.631 8.413 0.218 19327 3475 1 10 . 1 1 74 74 SER N N 74 116.164 116.164 114.790 1.374 19327 3476 1 10 . 1 1 74 74 SER HA H 74 4.542 4.542 4.566 -0.024 19327 3477 1 10 . 1 1 74 74 SER CA C 74 58.066 58.066 58.319 -0.253 19327 3478 1 10 . 1 1 74 74 SER CB C 74 63.962 63.962 63.927 0.035 19327 3479 1 10 . 1 1 74 74 SER H H 74 8.137 8.137 7.837 0.300 19327 3480 1 10 . 1 1 75 75 GLY N N 75 110.048 110.048 113.460 -3.412 19327 3481 1 10 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.931 -0.647 19327 3482 1 10 . 1 1 75 75 GLY H H 75 8.574 8.574 8.609 -0.035 19327 3483 1 10 . 1 1 76 76 GLN N N 76 119.520 119.520 120.743 -1.223 19327 3484 1 10 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.302 0.197 19327 3485 1 10 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.648 -0.679 19327 3486 1 10 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.199 2.562 19327 3487 1 10 . 1 1 76 76 GLN H H 76 8.393 8.393 8.163 0.230 19327 3488 1 10 . 1 1 77 77 THR N N 77 113.213 113.213 115.122 -1.909 19327 3489 1 10 . 1 1 77 77 THR HA H 77 4.432 4.432 4.235 0.197 19327 3490 1 10 . 1 1 77 77 THR CA C 77 61.408 61.408 62.485 -1.077 19327 3491 1 10 . 1 1 77 77 THR CB C 77 69.786 69.786 69.311 0.475 19327 3492 1 10 . 1 1 77 77 THR H H 77 8.105 8.105 8.447 -0.342 19327 3493 1 10 . 1 1 78 78 GLU N N 78 120.912 120.912 120.589 0.323 19327 3494 1 10 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.787 0.461 19327 3495 1 10 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.225 -2.235 19327 3496 1 10 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.092 1.697 19327 3497 1 10 . 1 1 78 78 GLU H H 78 8.454 8.454 8.229 0.225 19327 3498 1 10 . 1 1 79 79 ASN N N 79 117.094 117.094 118.990 -1.896 19327 3499 1 10 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.540 0.065 19327 3500 1 10 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.156 -1.396 19327 3501 1 10 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.029 -0.298 19327 3502 1 10 . 1 1 79 79 ASN H H 79 8.329 8.329 8.135 0.194 19327 3503 1 10 . 1 1 80 80 LYS N N 80 118.942 118.942 119.995 -1.053 19327 3504 1 10 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.475 -0.168 19327 3505 1 10 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.675 0.441 19327 3506 1 10 . 1 1 80 80 LYS CB C 80 33.378 33.378 30.722 2.656 19327 3507 1 10 . 1 1 80 80 LYS H H 80 7.910 7.910 8.533 -0.623 19327 3508 1 10 . 1 1 81 81 ILE N N 81 119.677 119.677 115.204 4.473 19327 3509 1 10 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.521 -0.215 19327 3510 1 10 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.453 1.073 19327 3511 1 10 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.962 -0.911 19327 3512 1 10 . 1 1 81 81 ILE H H 81 8.341 8.341 7.549 0.792 19327 3513 1 10 . 1 1 82 82 HIS N N 82 121.812 121.812 116.356 5.456 19327 3514 1 10 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.855 -0.079 19327 3515 1 10 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.235 -0.551 19327 3516 1 10 . 1 1 82 82 HIS CB C 82 28.930 28.930 31.530 -2.600 19327 3517 1 10 . 1 1 82 82 HIS H H 82 8.472 8.472 8.286 0.186 19327 3518 1 10 . 1 1 83 83 GLY N N 83 111.641 111.641 110.308 1.333 19327 3519 1 10 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.230 -0.106 19327 3520 1 10 . 1 1 83 83 GLY H H 83 8.334 8.334 7.695 0.639 19327 3521 1 10 . 1 1 84 84 THR N N 84 112.460 112.460 120.146 -7.686 19327 3522 1 10 . 1 1 84 84 THR HA H 84 5.037 5.037 5.104 -0.067 19327 3523 1 10 . 1 1 84 84 THR CA C 84 60.301 60.301 61.880 -1.579 19327 3524 1 10 . 1 1 84 84 THR CB C 84 72.048 72.048 72.617 -0.569 19327 3525 1 10 . 1 1 84 84 THR H H 84 8.125 8.125 8.322 -0.197 19327 3526 1 10 . 1 1 85 85 ALA N N 85 122.513 122.513 124.748 -2.235 19327 3527 1 10 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.127 -0.168 19327 3528 1 10 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.253 0.017 19327 3529 1 10 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.601 1.242 19327 3530 1 10 . 1 1 85 85 ALA H H 85 8.841 8.841 9.036 -0.195 19327 3531 1 10 . 1 1 86 86 ASP N N 86 121.651 121.651 124.129 -2.478 19327 3532 1 10 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.972 0.226 19327 3533 1 10 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.736 -1.259 19327 3534 1 10 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.433 0.896 19327 3535 1 10 . 1 1 86 86 ASP H H 86 8.506 8.506 8.270 0.236 19327 3536 1 10 . 1 1 87 87 ILE N N 87 111.376 111.376 117.501 -6.125 19327 3537 1 10 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.127 0.252 19327 3538 1 10 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.576 -1.387 19327 3539 1 10 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.347 2.042 19327 3540 1 10 . 1 1 87 87 ILE H H 87 7.966 7.966 8.111 -0.145 19327 3541 1 10 . 1 1 88 88 TYR N N 88 118.138 118.138 124.888 -6.750 19327 3542 1 10 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.476 -0.033 19327 3543 1 10 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.229 0.788 19327 3544 1 10 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.678 1.496 19327 3545 1 10 . 1 1 88 88 TYR H H 88 8.754 8.754 8.885 -0.131 19327 3546 1 10 . 1 1 89 89 LYS N N 89 123.705 123.705 120.174 3.531 19327 3547 1 10 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.114 0.063 19327 3548 1 10 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.742 0.724 19327 3549 1 10 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.684 1.454 19327 3550 1 10 . 1 1 89 89 LYS H H 89 9.595 9.595 9.079 0.516 19327 3551 1 10 . 1 1 90 90 LYS N N 90 129.328 129.328 125.438 3.890 19327 3552 1 10 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.605 -0.785 19327 3553 1 10 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.442 1.224 19327 3554 1 10 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.180 -0.353 19327 3555 1 10 . 1 1 90 90 LYS H H 90 10.195 10.195 8.836 1.359 19327 3556 1 10 . 1 1 91 91 LYS N N 91 126.034 126.034 127.245 -1.211 19327 3557 1 10 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.178 -0.068 19327 3558 1 10 . 1 1 91 91 LYS CA C 91 57.325 57.325 57.117 0.208 19327 3559 1 10 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.779 0.546 19327 3560 1 10 . 1 1 91 91 LYS H H 91 8.459 8.459 8.193 0.266 19327 3561 1 10 . 1 1 92 92 LEU N N 92 123.360 123.360 118.859 4.501 19327 3562 1 10 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.084 0.201 19327 3563 1 10 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.285 -0.468 19327 3564 1 10 . 1 1 92 92 LEU CB C 92 42.315 42.315 40.275 2.040 19327 3565 1 10 . 1 1 92 92 LEU H H 92 8.266 8.266 8.528 -0.262 19327 3566 1 10 . 1 1 93 93 GLU N N 93 121.993 121.993 119.379 2.614 19327 3567 1 10 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.077 0.147 19327 3568 1 10 . 1 1 93 93 GLU CA C 93 55.832 55.832 57.382 -1.550 19327 3569 1 10 . 1 1 93 93 GLU CB C 93 30.425 30.425 29.944 0.481 19327 3570 1 10 . 1 1 93 93 GLU H H 93 8.311 8.311 8.024 0.287 19327 3571 1 10 . 1 1 94 94 HIS N N 94 119.802 119.802 124.818 -5.016 19327 3572 1 10 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.535 0.101 19327 3573 1 10 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.540 -1.481 19327 3574 1 10 . 1 1 94 94 HIS CB C 94 29.131 29.131 31.107 -1.976 19327 3575 1 10 . 1 1 94 94 HIS H H 94 8.567 8.567 8.344 0.223 19327 3576 1 10 . 1 1 95 95 HIS N N 95 119.430 119.430 120.496 -1.066 19327 3577 1 10 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.434 0.203 19327 3578 1 10 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.140 0.034 19327 3579 1 10 . 1 1 95 95 HIS CB C 95 29.082 29.082 28.898 0.184 19327 3580 1 10 . 1 1 95 95 HIS H H 95 8.600 8.600 8.224 0.376 19327 3581 1 11 . 1 1 23 23 GLU N N 23 117.829 117.829 122.257 -4.428 19327 3582 1 11 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.658 0.055 19327 3583 1 11 . 1 1 23 23 GLU C C 23 174.825 174.825 175.851 -1.026 19327 3584 1 11 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.620 -0.257 19327 3585 1 11 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.186 1.454 19327 3586 1 11 . 1 1 23 23 GLU H H 23 7.921 7.921 8.396 -0.475 19327 3587 1 11 . 1 1 24 24 ILE N N 24 123.913 123.913 124.500 -0.587 19327 3588 1 11 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.221 0.650 19327 3589 1 11 . 1 1 24 24 ILE C C 24 176.427 176.427 176.109 0.318 19327 3590 1 11 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.937 -0.649 19327 3591 1 11 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.456 0.802 19327 3592 1 11 . 1 1 24 24 ILE H H 24 8.873 8.873 8.717 0.156 19327 3593 1 11 . 1 1 25 25 MET N N 25 127.256 127.256 127.471 -0.215 19327 3594 1 11 . 1 1 25 25 MET HA H 25 4.761 4.761 4.803 -0.042 19327 3595 1 11 . 1 1 25 25 MET C C 25 175.735 175.735 174.962 0.773 19327 3596 1 11 . 1 1 25 25 MET CA C 25 54.339 54.339 54.090 0.249 19327 3597 1 11 . 1 1 25 25 MET CB C 25 37.347 37.347 37.326 0.021 19327 3598 1 11 . 1 1 25 25 MET H H 25 8.727 8.727 8.838 -0.111 19327 3599 1 11 . 1 1 26 26 LYS N N 26 123.671 123.671 121.830 1.841 19327 3600 1 11 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.293 0.022 19327 3601 1 11 . 1 1 26 26 LYS C C 26 178.259 178.259 177.866 0.393 19327 3602 1 11 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.956 -0.231 19327 3603 1 11 . 1 1 26 26 LYS CB C 26 32.963 32.963 32.989 -0.026 19327 3604 1 11 . 1 1 26 26 LYS H H 26 9.189 9.189 8.609 0.580 19327 3605 1 11 . 1 1 27 27 LYS N N 27 126.369 126.369 122.043 4.326 19327 3606 1 11 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.985 -0.121 19327 3607 1 11 . 1 1 27 27 LYS C C 27 177.241 177.241 178.562 -1.321 19327 3608 1 11 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.710 0.877 19327 3609 1 11 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.120 0.239 19327 3610 1 11 . 1 1 27 27 LYS H H 27 8.871 8.871 8.238 0.633 19327 3611 1 11 . 1 1 28 28 THR N N 28 107.099 107.099 111.533 -4.434 19327 3612 1 11 . 1 1 28 28 THR HA H 28 4.135 4.135 4.046 0.089 19327 3613 1 11 . 1 1 28 28 THR CA C 28 64.757 64.757 66.134 -1.377 19327 3614 1 11 . 1 1 28 28 THR CB C 28 68.084 68.084 67.709 0.375 19327 3615 1 11 . 1 1 28 28 THR H H 28 8.110 8.110 8.403 -0.293 19327 3616 1 11 . 1 1 29 29 ASP N N 29 119.543 119.543 121.571 -2.028 19327 3617 1 11 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.384 0.202 19327 3618 1 11 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.712 -0.056 19327 3619 1 11 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.637 0.090 19327 3620 1 11 . 1 1 29 29 ASP H H 29 6.779 6.779 8.014 -1.235 19327 3621 1 11 . 1 1 30 30 PHE N N 30 123.437 123.437 120.378 3.059 19327 3622 1 11 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.125 -0.189 19327 3623 1 11 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.298 0.564 19327 3624 1 11 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.638 -0.608 19327 3625 1 11 . 1 1 30 30 PHE H H 30 8.633 8.633 8.160 0.473 19327 3626 1 11 . 1 1 31 31 ASP N N 31 117.040 117.040 119.543 -2.503 19327 3627 1 11 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.093 0.057 19327 3628 1 11 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.798 -0.723 19327 3629 1 11 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.440 -0.454 19327 3630 1 11 . 1 1 31 31 ASP H H 31 8.650 8.650 8.342 0.308 19327 3631 1 11 . 1 1 32 32 LYS N N 32 114.800 114.800 119.263 -4.463 19327 3632 1 11 . 1 1 32 32 LYS HA H 32 4.114 4.114 3.999 0.115 19327 3633 1 11 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.548 -0.161 19327 3634 1 11 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.520 0.735 19327 3635 1 11 . 1 1 32 32 LYS H H 32 6.927 6.927 8.062 -1.135 19327 3636 1 11 . 1 1 33 33 VAL N N 33 109.380 109.380 110.222 -0.842 19327 3637 1 11 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.452 0.167 19327 3638 1 11 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.534 -0.474 19327 3639 1 11 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.813 0.621 19327 3640 1 11 . 1 1 33 33 VAL H H 33 7.404 7.404 7.433 -0.029 19327 3641 1 11 . 1 1 34 34 ALA N N 34 124.530 124.530 125.355 -0.825 19327 3642 1 11 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.310 -0.294 19327 3643 1 11 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.080 0.184 19327 3644 1 11 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.094 1.300 19327 3645 1 11 . 1 1 34 34 ALA H H 34 6.714 6.714 7.611 -0.897 19327 3646 1 11 . 1 1 35 35 SER N N 35 110.547 110.547 113.079 -2.532 19327 3647 1 11 . 1 1 35 35 SER HA H 35 4.324 4.324 4.135 0.189 19327 3648 1 11 . 1 1 35 35 SER CA C 35 60.456 60.456 61.423 -0.967 19327 3649 1 11 . 1 1 35 35 SER CB C 35 62.536 62.536 63.056 -0.520 19327 3650 1 11 . 1 1 35 35 SER H H 35 8.121 8.121 8.397 -0.276 19327 3651 1 11 . 1 1 36 36 GLU N N 36 119.216 119.216 117.197 2.019 19327 3652 1 11 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.459 -0.186 19327 3653 1 11 . 1 1 36 36 GLU CA C 36 55.787 55.787 54.862 0.925 19327 3654 1 11 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.229 -0.144 19327 3655 1 11 . 1 1 36 36 GLU H H 36 8.305 8.305 7.896 0.409 19327 3656 1 11 . 1 1 37 37 TYR N N 37 117.179 117.179 118.598 -1.419 19327 3657 1 11 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.384 -0.234 19327 3658 1 11 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.433 0.523 19327 3659 1 11 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.194 2.046 19327 3660 1 11 . 1 1 37 37 TYR H H 37 7.922 7.922 7.950 -0.028 19327 3661 1 11 . 1 1 38 38 THR N N 38 115.546 115.546 118.862 -3.316 19327 3662 1 11 . 1 1 38 38 THR HA H 38 4.843 4.843 4.754 0.089 19327 3663 1 11 . 1 1 38 38 THR CA C 38 60.454 60.454 60.192 0.262 19327 3664 1 11 . 1 1 38 38 THR CB C 38 71.300 71.300 70.740 0.560 19327 3665 1 11 . 1 1 38 38 THR H H 38 9.483 9.483 9.296 0.187 19327 3666 1 11 . 1 1 39 39 LYS N N 39 130.415 130.415 129.881 0.534 19327 3667 1 11 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.448 0.435 19327 3668 1 11 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.428 1.187 19327 3669 1 11 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.155 0.435 19327 3670 1 11 . 1 1 39 39 LYS H H 39 9.290 9.290 8.716 0.574 19327 3671 1 11 . 1 1 40 40 ILE N N 40 122.004 122.004 121.938 0.066 19327 3672 1 11 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.461 0.097 19327 3673 1 11 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.327 0.725 19327 3674 1 11 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.794 0.563 19327 3675 1 11 . 1 1 40 40 ILE H H 40 8.819 8.819 8.349 0.470 19327 3676 1 11 . 1 1 41 41 GLY N N 41 107.582 107.582 107.616 -0.034 19327 3677 1 11 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.136 0.070 19327 3678 1 11 . 1 1 41 41 GLY H H 41 7.136 7.136 7.308 -0.172 19327 3679 1 11 . 1 1 42 42 THR N N 42 115.052 115.052 115.933 -0.881 19327 3680 1 11 . 1 1 42 42 THR HA H 42 5.237 5.237 4.850 0.387 19327 3681 1 11 . 1 1 42 42 THR CA C 42 60.959 60.959 61.691 -0.732 19327 3682 1 11 . 1 1 42 42 THR CB C 42 72.255 72.255 70.820 1.435 19327 3683 1 11 . 1 1 42 42 THR H H 42 8.218 8.218 8.228 -0.010 19327 3684 1 11 . 1 1 43 43 ILE N N 43 118.029 118.029 123.302 -5.273 19327 3685 1 11 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.705 0.082 19327 3686 1 11 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.393 0.159 19327 3687 1 11 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.796 1.905 19327 3688 1 11 . 1 1 43 43 ILE H H 43 9.129 9.129 8.838 0.291 19327 3689 1 11 . 1 1 44 44 SER N N 44 113.484 113.484 119.620 -6.136 19327 3690 1 11 . 1 1 44 44 SER HA H 44 5.252 5.252 5.138 0.114 19327 3691 1 11 . 1 1 44 44 SER CA C 44 56.792 56.792 57.637 -0.845 19327 3692 1 11 . 1 1 44 44 SER CB C 44 66.063 66.063 64.794 1.268 19327 3693 1 11 . 1 1 44 44 SER H H 44 8.335 8.335 8.559 -0.224 19327 3694 1 11 . 1 1 45 45 THR N N 45 113.454 113.454 113.277 0.177 19327 3695 1 11 . 1 1 45 45 THR HA H 45 4.555 4.555 4.989 -0.434 19327 3696 1 11 . 1 1 45 45 THR CA C 45 60.871 60.871 61.044 -0.173 19327 3697 1 11 . 1 1 45 45 THR CB C 45 70.060 70.060 69.845 0.215 19327 3698 1 11 . 1 1 45 45 THR H H 45 8.375 8.375 8.479 -0.104 19327 3699 1 11 . 1 1 46 46 THR N N 46 117.848 117.848 114.953 2.895 19327 3700 1 11 . 1 1 46 46 THR HA H 46 4.401 4.401 4.252 0.149 19327 3701 1 11 . 1 1 46 46 THR CA C 46 62.097 62.097 63.869 -1.772 19327 3702 1 11 . 1 1 46 46 THR CB C 46 69.387 69.387 68.898 0.489 19327 3703 1 11 . 1 1 46 46 THR H H 46 8.542 8.542 8.539 0.003 19327 3704 1 11 . 1 1 47 47 GLY N N 47 111.660 111.660 108.824 2.836 19327 3705 1 11 . 1 1 47 47 GLY CA C 47 44.883 44.883 45.163 -0.280 19327 3706 1 11 . 1 1 47 47 GLY H H 47 8.325 8.325 7.280 1.045 19327 3707 1 11 . 1 1 48 48 GLU N N 48 120.153 120.153 121.631 -1.478 19327 3708 1 11 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.351 0.045 19327 3709 1 11 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.228 -0.525 19327 3710 1 11 . 1 1 48 48 GLU CB C 48 29.594 29.594 28.207 1.387 19327 3711 1 11 . 1 1 48 48 GLU H H 48 8.437 8.437 8.482 -0.045 19327 3712 1 11 . 1 1 49 49 MET N N 49 120.146 120.146 121.805 -1.659 19327 3713 1 11 . 1 1 49 49 MET HA H 49 4.696 4.696 4.667 0.029 19327 3714 1 11 . 1 1 49 49 MET CA C 49 55.028 55.028 54.625 0.403 19327 3715 1 11 . 1 1 49 49 MET CB C 49 36.079 36.079 34.188 1.891 19327 3716 1 11 . 1 1 49 49 MET H H 49 8.390 8.390 7.642 0.748 19327 3717 1 11 . 1 1 50 50 SER N N 50 118.105 118.105 118.071 0.034 19327 3718 1 11 . 1 1 50 50 SER HA H 50 4.780 4.780 4.565 0.215 19327 3719 1 11 . 1 1 50 50 SER CA C 50 56.822 56.822 56.691 0.131 19327 3720 1 11 . 1 1 50 50 SER CB C 50 62.631 62.631 62.725 -0.094 19327 3721 1 11 . 1 1 50 50 SER H H 50 9.023 9.023 8.653 0.370 19327 3722 1 11 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.194 0.047 19327 3723 1 11 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.416 0.662 19327 3724 1 11 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.840 0.167 19327 3725 1 11 . 1 1 52 52 LEU N N 52 117.624 117.624 117.867 -0.243 19327 3726 1 11 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.206 -0.094 19327 3727 1 11 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.217 0.731 19327 3728 1 11 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.783 0.808 19327 3729 1 11 . 1 1 52 52 LEU H H 52 8.169 8.169 7.966 0.203 19327 3730 1 11 . 1 1 53 53 ASP N N 53 120.042 120.042 120.230 -0.188 19327 3731 1 11 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.353 0.069 19327 3732 1 11 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.281 -0.533 19327 3733 1 11 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.869 -1.029 19327 3734 1 11 . 1 1 53 53 ASP H H 53 7.515 7.515 7.752 -0.237 19327 3735 1 11 . 1 1 54 54 ALA N N 54 123.542 123.542 122.714 0.828 19327 3736 1 11 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.090 0.120 19327 3737 1 11 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.811 -0.011 19327 3738 1 11 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.579 -0.137 19327 3739 1 11 . 1 1 54 54 ALA H H 54 8.806 8.806 8.265 0.541 19327 3740 1 11 . 1 1 55 55 ARG N N 55 117.281 117.281 118.859 -1.578 19327 3741 1 11 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.916 -0.174 19327 3742 1 11 . 1 1 55 55 ARG CA C 55 60.301 60.301 60.119 0.182 19327 3743 1 11 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.305 -0.038 19327 3744 1 11 . 1 1 55 55 ARG H H 55 7.869 7.869 7.889 -0.020 19327 3745 1 11 . 1 1 56 56 GLU N N 56 116.048 116.048 117.686 -1.638 19327 3746 1 11 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.049 -0.040 19327 3747 1 11 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.084 -0.244 19327 3748 1 11 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.297 -0.607 19327 3749 1 11 . 1 1 56 56 GLU H H 56 7.638 7.638 8.240 -0.602 19327 3750 1 11 . 1 1 57 57 ASP N N 57 120.238 120.238 121.910 -1.672 19327 3751 1 11 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.366 0.018 19327 3752 1 11 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.328 0.146 19327 3753 1 11 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.737 1.795 19327 3754 1 11 . 1 1 57 57 ASP H H 57 8.126 8.126 7.758 0.368 19327 3755 1 11 . 1 1 58 58 LEU N N 58 117.410 117.410 119.261 -1.851 19327 3756 1 11 . 1 1 58 58 LEU HA H 58 3.861 3.861 4.021 -0.160 19327 3757 1 11 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.718 -0.122 19327 3758 1 11 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.932 -0.318 19327 3759 1 11 . 1 1 58 58 LEU H H 58 8.172 8.172 7.898 0.274 19327 3760 1 11 . 1 1 59 59 ILE N N 59 118.841 118.841 120.230 -1.389 19327 3761 1 11 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.589 -0.286 19327 3762 1 11 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.404 0.353 19327 3763 1 11 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.642 -0.079 19327 3764 1 11 . 1 1 59 59 ILE H H 59 8.028 8.028 8.333 -0.305 19327 3765 1 11 . 1 1 60 60 LYS N N 60 119.525 119.525 120.201 -0.676 19327 3766 1 11 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.905 0.189 19327 3767 1 11 . 1 1 60 60 LYS CA C 60 59.753 59.753 59.341 0.412 19327 3768 1 11 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.017 0.118 19327 3769 1 11 . 1 1 60 60 LYS H H 60 7.895 7.895 7.938 -0.043 19327 3770 1 11 . 1 1 61 61 LYS N N 61 119.257 119.257 118.851 0.406 19327 3771 1 11 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.106 -0.119 19327 3772 1 11 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.630 -0.356 19327 3773 1 11 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.486 1.058 19327 3774 1 11 . 1 1 61 61 LYS H H 61 8.086 8.086 7.937 0.149 19327 3775 1 11 . 1 1 62 62 ALA N N 62 122.326 122.326 121.550 0.776 19327 3776 1 11 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.067 -0.294 19327 3777 1 11 . 1 1 62 62 ALA CA C 62 55.037 55.037 54.850 0.187 19327 3778 1 11 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.135 0.967 19327 3779 1 11 . 1 1 62 62 ALA H H 62 8.489 8.489 7.991 0.498 19327 3780 1 11 . 1 1 63 63 ASP N N 63 120.381 120.381 119.646 0.735 19327 3781 1 11 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.412 0.183 19327 3782 1 11 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.144 -0.064 19327 3783 1 11 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.083 -2.054 19327 3784 1 11 . 1 1 63 63 ASP H H 63 8.855 8.855 8.305 0.550 19327 3785 1 11 . 1 1 64 64 GLU N N 64 121.428 121.428 119.843 1.585 19327 3786 1 11 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.090 -0.013 19327 3787 1 11 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.529 0.366 19327 3788 1 11 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.680 -0.556 19327 3789 1 11 . 1 1 64 64 GLU H H 64 8.053 8.053 7.978 0.075 19327 3790 1 11 . 1 1 65 65 LYS N N 65 115.778 115.778 116.392 -0.614 19327 3791 1 11 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.323 -0.003 19327 3792 1 11 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.767 -0.937 19327 3793 1 11 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.324 0.695 19327 3794 1 11 . 1 1 65 65 LYS H H 65 7.186 7.186 7.857 -0.671 19327 3795 1 11 . 1 1 66 66 GLY N N 66 107.578 107.578 106.787 0.791 19327 3796 1 11 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.153 0.669 19327 3797 1 11 . 1 1 66 66 GLY H H 66 7.873 7.873 7.726 0.147 19327 3798 1 11 . 1 1 67 67 ALA N N 67 119.025 119.025 122.496 -3.471 19327 3799 1 11 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.246 -0.224 19327 3800 1 11 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.120 -0.421 19327 3801 1 11 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.689 1.521 19327 3802 1 11 . 1 1 67 67 ALA H H 67 7.927 7.927 7.803 0.124 19327 3803 1 11 . 1 1 68 68 ASP N N 68 116.686 116.686 122.716 -6.030 19327 3804 1 11 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.683 0.388 19327 3805 1 11 . 1 1 68 68 ASP CA C 68 56.601 56.601 58.076 -1.475 19327 3806 1 11 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.130 2.878 19327 3807 1 11 . 1 1 68 68 ASP H H 68 8.793 8.793 8.391 0.402 19327 3808 1 11 . 1 1 69 69 VAL N N 69 118.623 118.623 117.744 0.879 19327 3809 1 11 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.764 0.366 19327 3810 1 11 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.879 -0.449 19327 3811 1 11 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.886 1.717 19327 3812 1 11 . 1 1 69 69 VAL H H 69 8.076 8.076 8.163 -0.087 19327 3813 1 11 . 1 1 70 70 VAL N N 70 127.358 127.358 125.484 1.874 19327 3814 1 11 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.172 0.388 19327 3815 1 11 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.538 -1.595 19327 3816 1 11 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.356 2.077 19327 3817 1 11 . 1 1 70 70 VAL H H 70 8.724 8.724 8.912 -0.188 19327 3818 1 11 . 1 1 71 71 VAL N N 71 126.739 126.739 128.332 -1.593 19327 3819 1 11 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.245 0.311 19327 3820 1 11 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.336 0.517 19327 3821 1 11 . 1 1 71 71 VAL CB C 71 34.062 34.062 30.362 3.700 19327 3822 1 11 . 1 1 71 71 VAL H H 71 8.891 8.891 8.637 0.254 19327 3823 1 11 . 1 1 72 72 LEU N N 72 127.581 127.581 129.958 -2.377 19327 3824 1 11 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.310 0.138 19327 3825 1 11 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.479 0.241 19327 3826 1 11 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.962 1.669 19327 3827 1 11 . 1 1 72 72 LEU H H 72 8.802 8.802 8.582 0.220 19327 3828 1 11 . 1 1 73 73 THR N N 73 114.207 114.207 118.209 -4.002 19327 3829 1 11 . 1 1 73 73 THR HA H 73 4.420 4.420 4.347 0.073 19327 3830 1 11 . 1 1 73 73 THR CA C 73 61.516 61.516 63.657 -2.141 19327 3831 1 11 . 1 1 73 73 THR CB C 73 69.462 69.462 69.427 0.035 19327 3832 1 11 . 1 1 73 73 THR H H 73 8.631 8.631 8.383 0.248 19327 3833 1 11 . 1 1 74 74 SER N N 74 116.164 116.164 116.076 0.088 19327 3834 1 11 . 1 1 74 74 SER HA H 74 4.542 4.542 4.587 -0.045 19327 3835 1 11 . 1 1 74 74 SER CA C 74 58.066 58.066 58.062 0.004 19327 3836 1 11 . 1 1 74 74 SER CB C 74 63.962 63.962 64.488 -0.526 19327 3837 1 11 . 1 1 74 74 SER H H 74 8.137 8.137 8.125 0.012 19327 3838 1 11 . 1 1 75 75 GLY N N 75 110.048 110.048 107.364 2.684 19327 3839 1 11 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.092 0.193 19327 3840 1 11 . 1 1 75 75 GLY H H 75 8.574 8.574 8.051 0.523 19327 3841 1 11 . 1 1 76 76 GLN N N 76 119.520 119.520 118.694 0.826 19327 3842 1 11 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.295 0.204 19327 3843 1 11 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.517 -0.548 19327 3844 1 11 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.854 0.907 19327 3845 1 11 . 1 1 76 76 GLN H H 76 8.393 8.393 8.063 0.330 19327 3846 1 11 . 1 1 77 77 THR N N 77 113.213 113.213 111.836 1.377 19327 3847 1 11 . 1 1 77 77 THR HA H 77 4.432 4.432 4.257 0.175 19327 3848 1 11 . 1 1 77 77 THR CA C 77 61.408 61.408 62.397 -0.989 19327 3849 1 11 . 1 1 77 77 THR CB C 77 69.786 69.786 69.829 -0.043 19327 3850 1 11 . 1 1 77 77 THR H H 77 8.105 8.105 7.897 0.208 19327 3851 1 11 . 1 1 78 78 GLU N N 78 120.912 120.912 118.091 2.821 19327 3852 1 11 . 1 1 78 78 GLU HA H 78 4.248 4.248 4.181 0.067 19327 3853 1 11 . 1 1 78 78 GLU CA C 78 56.990 56.990 57.256 -0.266 19327 3854 1 11 . 1 1 78 78 GLU CB C 78 29.789 29.789 29.918 -0.129 19327 3855 1 11 . 1 1 78 78 GLU H H 78 8.454 8.454 8.405 0.049 19327 3856 1 11 . 1 1 79 79 ASN N N 79 117.094 117.094 119.171 -2.077 19327 3857 1 11 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.512 0.093 19327 3858 1 11 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.051 -1.291 19327 3859 1 11 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.633 0.098 19327 3860 1 11 . 1 1 79 79 ASN H H 79 8.329 8.329 8.463 -0.134 19327 3861 1 11 . 1 1 80 80 LYS N N 80 118.942 118.942 120.231 -1.289 19327 3862 1 11 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.451 -0.144 19327 3863 1 11 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.999 0.117 19327 3864 1 11 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.404 0.974 19327 3865 1 11 . 1 1 80 80 LYS H H 80 7.910 7.910 8.270 -0.360 19327 3866 1 11 . 1 1 81 81 ILE N N 81 119.677 119.677 121.810 -2.133 19327 3867 1 11 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.513 -0.207 19327 3868 1 11 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.048 0.478 19327 3869 1 11 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.645 -0.595 19327 3870 1 11 . 1 1 81 81 ILE H H 81 8.341 8.341 8.427 -0.086 19327 3871 1 11 . 1 1 82 82 HIS N N 82 121.812 121.812 122.497 -0.685 19327 3872 1 11 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.555 0.221 19327 3873 1 11 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.918 -1.234 19327 3874 1 11 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.248 -1.318 19327 3875 1 11 . 1 1 82 82 HIS H H 82 8.472 8.472 8.668 -0.196 19327 3876 1 11 . 1 1 83 83 GLY N N 83 111.641 111.641 110.382 1.259 19327 3877 1 11 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.188 -0.064 19327 3878 1 11 . 1 1 83 83 GLY H H 83 8.334 8.334 8.014 0.320 19327 3879 1 11 . 1 1 84 84 THR N N 84 112.460 112.460 114.069 -1.609 19327 3880 1 11 . 1 1 84 84 THR HA H 84 5.037 5.037 5.222 -0.185 19327 3881 1 11 . 1 1 84 84 THR CA C 84 60.301 60.301 59.901 0.400 19327 3882 1 11 . 1 1 84 84 THR CB C 84 72.048 72.048 72.215 -0.167 19327 3883 1 11 . 1 1 84 84 THR H H 84 8.125 8.125 7.116 1.009 19327 3884 1 11 . 1 1 85 85 ALA N N 85 122.513 122.513 123.970 -1.457 19327 3885 1 11 . 1 1 85 85 ALA HA H 85 4.959 4.959 4.945 0.014 19327 3886 1 11 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.252 0.018 19327 3887 1 11 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.659 1.184 19327 3888 1 11 . 1 1 85 85 ALA H H 85 8.841 8.841 8.969 -0.128 19327 3889 1 11 . 1 1 86 86 ASP N N 86 121.651 121.651 125.177 -3.526 19327 3890 1 11 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.995 0.203 19327 3891 1 11 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.500 -1.023 19327 3892 1 11 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.021 1.308 19327 3893 1 11 . 1 1 86 86 ASP H H 86 8.506 8.506 8.264 0.242 19327 3894 1 11 . 1 1 87 87 ILE N N 87 111.376 111.376 118.571 -7.195 19327 3895 1 11 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.755 0.624 19327 3896 1 11 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.579 -2.390 19327 3897 1 11 . 1 1 87 87 ILE CB C 87 41.389 41.389 38.796 2.593 19327 3898 1 11 . 1 1 87 87 ILE H H 87 7.966 7.966 8.179 -0.213 19327 3899 1 11 . 1 1 88 88 TYR N N 88 118.138 118.138 126.609 -8.471 19327 3900 1 11 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.414 0.029 19327 3901 1 11 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.568 0.449 19327 3902 1 11 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.169 1.005 19327 3903 1 11 . 1 1 88 88 TYR H H 88 8.754 8.754 8.995 -0.241 19327 3904 1 11 . 1 1 89 89 LYS N N 89 123.705 123.705 120.313 3.392 19327 3905 1 11 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.157 0.020 19327 3906 1 11 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.358 0.109 19327 3907 1 11 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.225 0.913 19327 3908 1 11 . 1 1 89 89 LYS H H 89 9.595 9.595 9.069 0.526 19327 3909 1 11 . 1 1 90 90 LYS N N 90 129.328 129.328 123.721 5.607 19327 3910 1 11 . 1 1 90 90 LYS HA H 90 3.820 3.820 3.740 0.080 19327 3911 1 11 . 1 1 90 90 LYS CA C 90 57.666 57.666 55.526 2.140 19327 3912 1 11 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.640 0.187 19327 3913 1 11 . 1 1 90 90 LYS H H 90 10.195 10.195 8.535 1.660 19327 3914 1 11 . 1 1 91 91 LYS N N 91 126.034 126.034 127.115 -1.081 19327 3915 1 11 . 1 1 91 91 LYS HA H 91 4.110 4.110 3.928 0.182 19327 3916 1 11 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.942 0.383 19327 3917 1 11 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.664 1.661 19327 3918 1 11 . 1 1 91 91 LYS H H 91 8.459 8.459 7.990 0.469 19327 3919 1 11 . 1 1 92 92 LEU N N 92 123.360 123.360 126.068 -2.708 19327 3920 1 11 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.222 0.063 19327 3921 1 11 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.712 0.105 19327 3922 1 11 . 1 1 92 92 LEU CB C 92 42.315 42.315 43.024 -0.709 19327 3923 1 11 . 1 1 92 92 LEU H H 92 8.266 8.266 8.149 0.117 19327 3924 1 11 . 1 1 93 93 GLU N N 93 121.993 121.993 125.637 -3.644 19327 3925 1 11 . 1 1 93 93 GLU HA H 93 4.224 4.224 3.906 0.318 19327 3926 1 11 . 1 1 93 93 GLU CA C 93 55.832 55.832 58.551 -2.719 19327 3927 1 11 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.035 0.390 19327 3928 1 11 . 1 1 93 93 GLU H H 93 8.311 8.311 8.885 -0.574 19327 3929 1 11 . 1 1 94 94 HIS N N 94 119.802 119.802 113.045 6.757 19327 3930 1 11 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.789 -0.153 19327 3931 1 11 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.450 -1.391 19327 3932 1 11 . 1 1 94 94 HIS CB C 94 29.131 29.131 32.038 -2.907 19327 3933 1 11 . 1 1 94 94 HIS H H 94 8.567 8.567 8.257 0.310 19327 3934 1 11 . 1 1 95 95 HIS N N 95 119.430 119.430 120.442 -1.012 19327 3935 1 11 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.678 -0.041 19327 3936 1 11 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.351 -0.177 19327 3937 1 11 . 1 1 95 95 HIS CB C 95 29.082 29.082 29.790 -0.708 19327 3938 1 11 . 1 1 95 95 HIS H H 95 8.600 8.600 8.512 0.088 19327 3939 1 12 . 1 1 23 23 GLU N N 23 117.829 117.829 118.903 -1.074 19327 3940 1 12 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.642 0.071 19327 3941 1 12 . 1 1 23 23 GLU C C 23 174.825 174.825 175.009 -0.184 19327 3942 1 12 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.670 -0.307 19327 3943 1 12 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.624 0.016 19327 3944 1 12 . 1 1 23 23 GLU H H 23 7.921 7.921 8.576 -0.655 19327 3945 1 12 . 1 1 24 24 ILE N N 24 123.913 123.913 124.045 -0.132 19327 3946 1 12 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.604 0.267 19327 3947 1 12 . 1 1 24 24 ILE C C 24 176.427 176.427 176.176 0.251 19327 3948 1 12 . 1 1 24 24 ILE CA C 24 60.288 60.288 61.102 -0.814 19327 3949 1 12 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.758 0.500 19327 3950 1 12 . 1 1 24 24 ILE H H 24 8.873 8.873 8.840 0.033 19327 3951 1 12 . 1 1 25 25 MET N N 25 127.256 127.256 127.343 -0.087 19327 3952 1 12 . 1 1 25 25 MET HA H 25 4.761 4.761 4.793 -0.032 19327 3953 1 12 . 1 1 25 25 MET C C 25 175.735 175.735 174.829 0.906 19327 3954 1 12 . 1 1 25 25 MET CA C 25 54.339 54.339 53.951 0.388 19327 3955 1 12 . 1 1 25 25 MET CB C 25 37.347 37.347 36.746 0.601 19327 3956 1 12 . 1 1 25 25 MET H H 25 8.727 8.727 8.947 -0.220 19327 3957 1 12 . 1 1 26 26 LYS N N 26 123.671 123.671 120.399 3.272 19327 3958 1 12 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.451 -0.136 19327 3959 1 12 . 1 1 26 26 LYS C C 26 178.259 178.259 178.137 0.122 19327 3960 1 12 . 1 1 26 26 LYS CA C 26 56.725 56.725 55.708 1.017 19327 3961 1 12 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.108 -0.145 19327 3962 1 12 . 1 1 26 26 LYS H H 26 9.189 9.189 8.738 0.451 19327 3963 1 12 . 1 1 27 27 LYS N N 27 126.369 126.369 122.572 3.797 19327 3964 1 12 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.181 -0.317 19327 3965 1 12 . 1 1 27 27 LYS C C 27 177.241 177.241 178.583 -1.342 19327 3966 1 12 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.200 1.387 19327 3967 1 12 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.287 0.072 19327 3968 1 12 . 1 1 27 27 LYS H H 27 8.871 8.871 8.808 0.063 19327 3969 1 12 . 1 1 28 28 THR N N 28 107.099 107.099 115.921 -8.822 19327 3970 1 12 . 1 1 28 28 THR HA H 28 4.135 4.135 4.063 0.072 19327 3971 1 12 . 1 1 28 28 THR CA C 28 64.757 64.757 67.742 -2.985 19327 3972 1 12 . 1 1 28 28 THR CB C 28 68.084 68.084 68.195 -0.111 19327 3973 1 12 . 1 1 28 28 THR H H 28 8.110 8.110 8.395 -0.285 19327 3974 1 12 . 1 1 29 29 ASP N N 29 119.543 119.543 120.742 -1.199 19327 3975 1 12 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.446 0.140 19327 3976 1 12 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.205 -0.549 19327 3977 1 12 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.453 0.274 19327 3978 1 12 . 1 1 29 29 ASP H H 29 6.779 6.779 8.461 -1.682 19327 3979 1 12 . 1 1 30 30 PHE N N 30 123.437 123.437 120.924 2.513 19327 3980 1 12 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.170 -0.234 19327 3981 1 12 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.449 0.413 19327 3982 1 12 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.117 -0.087 19327 3983 1 12 . 1 1 30 30 PHE H H 30 8.633 8.633 8.169 0.464 19327 3984 1 12 . 1 1 31 31 ASP N N 31 117.040 117.040 119.538 -2.498 19327 3985 1 12 . 1 1 31 31 ASP HA H 31 4.150 4.150 3.859 0.291 19327 3986 1 12 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.180 -0.105 19327 3987 1 12 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.751 -0.765 19327 3988 1 12 . 1 1 31 31 ASP H H 31 8.650 8.650 8.184 0.466 19327 3989 1 12 . 1 1 32 32 LYS N N 32 114.800 114.800 117.807 -3.007 19327 3990 1 12 . 1 1 32 32 LYS HA H 32 4.114 4.114 3.990 0.124 19327 3991 1 12 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.824 -0.437 19327 3992 1 12 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.718 0.537 19327 3993 1 12 . 1 1 32 32 LYS H H 32 6.927 6.927 7.659 -0.732 19327 3994 1 12 . 1 1 33 33 VAL N N 33 109.380 109.380 110.122 -0.742 19327 3995 1 12 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.458 0.161 19327 3996 1 12 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.048 0.012 19327 3997 1 12 . 1 1 33 33 VAL CB C 33 32.434 32.434 32.039 0.395 19327 3998 1 12 . 1 1 33 33 VAL H H 33 7.404 7.404 7.427 -0.023 19327 3999 1 12 . 1 1 34 34 ALA N N 34 124.530 124.530 125.873 -1.343 19327 4000 1 12 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.253 -0.237 19327 4001 1 12 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.011 0.253 19327 4002 1 12 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.097 1.297 19327 4003 1 12 . 1 1 34 34 ALA H H 34 6.714 6.714 7.566 -0.852 19327 4004 1 12 . 1 1 35 35 SER N N 35 110.547 110.547 111.312 -0.765 19327 4005 1 12 . 1 1 35 35 SER HA H 35 4.324 4.324 4.113 0.211 19327 4006 1 12 . 1 1 35 35 SER CA C 35 60.456 60.456 61.055 -0.599 19327 4007 1 12 . 1 1 35 35 SER CB C 35 62.536 62.536 62.700 -0.164 19327 4008 1 12 . 1 1 35 35 SER H H 35 8.121 8.121 8.348 -0.227 19327 4009 1 12 . 1 1 36 36 GLU N N 36 119.216 119.216 117.783 1.433 19327 4010 1 12 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.177 0.096 19327 4011 1 12 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.464 -0.677 19327 4012 1 12 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.935 -0.850 19327 4013 1 12 . 1 1 36 36 GLU H H 36 8.305 8.305 7.526 0.779 19327 4014 1 12 . 1 1 37 37 TYR N N 37 117.179 117.179 117.526 -0.347 19327 4015 1 12 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.388 -0.238 19327 4016 1 12 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.522 1.434 19327 4017 1 12 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.935 1.305 19327 4018 1 12 . 1 1 37 37 TYR H H 37 7.922 7.922 7.707 0.215 19327 4019 1 12 . 1 1 38 38 THR N N 38 115.546 115.546 113.206 2.340 19327 4020 1 12 . 1 1 38 38 THR HA H 38 4.843 4.843 4.987 -0.144 19327 4021 1 12 . 1 1 38 38 THR CA C 38 60.454 60.454 60.883 -0.429 19327 4022 1 12 . 1 1 38 38 THR CB C 38 71.300 71.300 71.027 0.273 19327 4023 1 12 . 1 1 38 38 THR H H 38 9.483 9.483 9.065 0.418 19327 4024 1 12 . 1 1 39 39 LYS N N 39 130.415 130.415 128.488 1.927 19327 4025 1 12 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.885 -0.002 19327 4026 1 12 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.749 0.866 19327 4027 1 12 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.252 0.338 19327 4028 1 12 . 1 1 39 39 LYS H H 39 9.290 9.290 8.933 0.357 19327 4029 1 12 . 1 1 40 40 ILE N N 40 122.004 122.004 122.388 -0.384 19327 4030 1 12 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.426 0.132 19327 4031 1 12 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.359 0.693 19327 4032 1 12 . 1 1 40 40 ILE CB C 40 39.357 39.357 37.996 1.361 19327 4033 1 12 . 1 1 40 40 ILE H H 40 8.819 8.819 8.319 0.500 19327 4034 1 12 . 1 1 41 41 GLY N N 41 107.582 107.582 107.201 0.381 19327 4035 1 12 . 1 1 41 41 GLY CA C 41 45.206 45.206 44.928 0.278 19327 4036 1 12 . 1 1 41 41 GLY H H 41 7.136 7.136 7.299 -0.163 19327 4037 1 12 . 1 1 42 42 THR N N 42 115.052 115.052 113.060 1.992 19327 4038 1 12 . 1 1 42 42 THR HA H 42 5.237 5.237 5.104 0.133 19327 4039 1 12 . 1 1 42 42 THR CA C 42 60.959 60.959 60.343 0.616 19327 4040 1 12 . 1 1 42 42 THR CB C 42 72.255 72.255 70.678 1.577 19327 4041 1 12 . 1 1 42 42 THR H H 42 8.218 8.218 8.192 0.026 19327 4042 1 12 . 1 1 43 43 ILE N N 43 118.029 118.029 120.406 -2.377 19327 4043 1 12 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.843 -0.056 19327 4044 1 12 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.144 0.408 19327 4045 1 12 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.678 2.023 19327 4046 1 12 . 1 1 43 43 ILE H H 43 9.129 9.129 8.725 0.404 19327 4047 1 12 . 1 1 44 44 SER N N 44 113.484 113.484 114.889 -1.405 19327 4048 1 12 . 1 1 44 44 SER HA H 44 5.252 5.252 5.294 -0.042 19327 4049 1 12 . 1 1 44 44 SER CA C 44 56.792 56.792 56.614 0.178 19327 4050 1 12 . 1 1 44 44 SER CB C 44 66.063 66.063 65.350 0.713 19327 4051 1 12 . 1 1 44 44 SER H H 44 8.335 8.335 8.262 0.073 19327 4052 1 12 . 1 1 45 45 THR N N 45 113.454 113.454 116.479 -3.025 19327 4053 1 12 . 1 1 45 45 THR HA H 45 4.555 4.555 4.655 -0.100 19327 4054 1 12 . 1 1 45 45 THR CA C 45 60.871 60.871 61.877 -1.006 19327 4055 1 12 . 1 1 45 45 THR CB C 45 70.060 70.060 69.820 0.240 19327 4056 1 12 . 1 1 45 45 THR H H 45 8.375 8.375 8.362 0.013 19327 4057 1 12 . 1 1 46 46 THR N N 46 117.848 117.848 115.833 2.015 19327 4058 1 12 . 1 1 46 46 THR HA H 46 4.401 4.401 4.049 0.352 19327 4059 1 12 . 1 1 46 46 THR CA C 46 62.097 62.097 64.827 -2.730 19327 4060 1 12 . 1 1 46 46 THR CB C 46 69.387 69.387 68.945 0.442 19327 4061 1 12 . 1 1 46 46 THR H H 46 8.542 8.542 8.796 -0.254 19327 4062 1 12 . 1 1 47 47 GLY N N 47 111.660 111.660 108.794 2.866 19327 4063 1 12 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.930 -0.047 19327 4064 1 12 . 1 1 47 47 GLY H H 47 8.325 8.325 7.693 0.632 19327 4065 1 12 . 1 1 48 48 GLU N N 48 120.153 120.153 120.661 -0.508 19327 4066 1 12 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.389 0.007 19327 4067 1 12 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.595 -0.891 19327 4068 1 12 . 1 1 48 48 GLU CB C 48 29.594 29.594 27.425 2.169 19327 4069 1 12 . 1 1 48 48 GLU H H 48 8.437 8.437 8.492 -0.055 19327 4070 1 12 . 1 1 49 49 MET N N 49 120.146 120.146 123.731 -3.585 19327 4071 1 12 . 1 1 49 49 MET HA H 49 4.696 4.696 4.408 0.288 19327 4072 1 12 . 1 1 49 49 MET CA C 49 55.028 55.028 56.871 -1.843 19327 4073 1 12 . 1 1 49 49 MET CB C 49 36.079 36.079 33.345 2.734 19327 4074 1 12 . 1 1 49 49 MET H H 49 8.390 8.390 8.186 0.204 19327 4075 1 12 . 1 1 50 50 SER N N 50 118.105 118.105 112.450 5.655 19327 4076 1 12 . 1 1 50 50 SER HA H 50 4.780 4.780 4.960 -0.180 19327 4077 1 12 . 1 1 50 50 SER CA C 50 56.822 56.822 54.309 2.514 19327 4078 1 12 . 1 1 50 50 SER CB C 50 62.631 62.631 65.128 -2.497 19327 4079 1 12 . 1 1 50 50 SER H H 50 9.023 9.023 7.756 1.267 19327 4080 1 12 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.247 -0.006 19327 4081 1 12 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.399 0.679 19327 4082 1 12 . 1 1 51 51 PRO CB C 51 32.007 32.007 32.045 -0.038 19327 4083 1 12 . 1 1 52 52 LEU N N 52 117.624 117.624 117.181 0.443 19327 4084 1 12 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.104 0.008 19327 4085 1 12 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.609 0.339 19327 4086 1 12 . 1 1 52 52 LEU CB C 52 41.592 41.592 41.766 -0.174 19327 4087 1 12 . 1 1 52 52 LEU H H 52 8.169 8.169 8.260 -0.091 19327 4088 1 12 . 1 1 53 53 ASP N N 53 120.042 120.042 118.961 1.081 19327 4089 1 12 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.289 0.133 19327 4090 1 12 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.365 -0.617 19327 4091 1 12 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.818 -0.978 19327 4092 1 12 . 1 1 53 53 ASP H H 53 7.515 7.515 8.098 -0.583 19327 4093 1 12 . 1 1 54 54 ALA N N 54 123.542 123.542 122.424 1.118 19327 4094 1 12 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.984 0.226 19327 4095 1 12 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.062 -0.262 19327 4096 1 12 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.487 -0.045 19327 4097 1 12 . 1 1 54 54 ALA H H 54 8.806 8.806 8.095 0.711 19327 4098 1 12 . 1 1 55 55 ARG N N 55 117.281 117.281 118.890 -1.609 19327 4099 1 12 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.911 -0.169 19327 4100 1 12 . 1 1 55 55 ARG CA C 55 60.301 60.301 60.096 0.205 19327 4101 1 12 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.111 0.156 19327 4102 1 12 . 1 1 55 55 ARG H H 55 7.869 7.869 7.722 0.147 19327 4103 1 12 . 1 1 56 56 GLU N N 56 116.048 116.048 117.936 -1.888 19327 4104 1 12 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.112 -0.103 19327 4105 1 12 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.735 0.105 19327 4106 1 12 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.274 -0.584 19327 4107 1 12 . 1 1 56 56 GLU H H 56 7.638 7.638 7.746 -0.108 19327 4108 1 12 . 1 1 57 57 ASP N N 57 120.238 120.238 121.766 -1.528 19327 4109 1 12 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.434 -0.050 19327 4110 1 12 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.067 0.407 19327 4111 1 12 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.798 1.734 19327 4112 1 12 . 1 1 57 57 ASP H H 57 8.126 8.126 8.112 0.014 19327 4113 1 12 . 1 1 58 58 LEU N N 58 117.410 117.410 120.029 -2.619 19327 4114 1 12 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.893 -0.032 19327 4115 1 12 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.088 -0.492 19327 4116 1 12 . 1 1 58 58 LEU CB C 58 41.614 41.614 42.008 -0.394 19327 4117 1 12 . 1 1 58 58 LEU H H 58 8.172 8.172 7.905 0.267 19327 4118 1 12 . 1 1 59 59 ILE N N 59 118.841 118.841 119.479 -0.638 19327 4119 1 12 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.536 -0.233 19327 4120 1 12 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.422 0.335 19327 4121 1 12 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.593 -0.029 19327 4122 1 12 . 1 1 59 59 ILE H H 59 8.028 8.028 8.373 -0.345 19327 4123 1 12 . 1 1 60 60 LYS N N 60 119.525 119.525 119.915 -0.390 19327 4124 1 12 . 1 1 60 60 LYS HA H 60 4.094 4.094 4.026 0.068 19327 4125 1 12 . 1 1 60 60 LYS CA C 60 59.753 59.753 58.914 0.839 19327 4126 1 12 . 1 1 60 60 LYS CB C 60 32.135 32.135 31.913 0.222 19327 4127 1 12 . 1 1 60 60 LYS H H 60 7.895 7.895 7.820 0.075 19327 4128 1 12 . 1 1 61 61 LYS N N 61 119.257 119.257 119.423 -0.166 19327 4129 1 12 . 1 1 61 61 LYS HA H 61 3.987 3.987 3.948 0.039 19327 4130 1 12 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.463 -0.189 19327 4131 1 12 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.302 1.242 19327 4132 1 12 . 1 1 61 61 LYS H H 61 8.086 8.086 7.983 0.103 19327 4133 1 12 . 1 1 62 62 ALA N N 62 122.326 122.326 121.205 1.121 19327 4134 1 12 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.917 -0.144 19327 4135 1 12 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.257 -0.220 19327 4136 1 12 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.203 0.899 19327 4137 1 12 . 1 1 62 62 ALA H H 62 8.489 8.489 8.041 0.448 19327 4138 1 12 . 1 1 63 63 ASP N N 63 120.381 120.381 119.053 1.328 19327 4139 1 12 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.414 0.181 19327 4140 1 12 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.303 -0.223 19327 4141 1 12 . 1 1 63 63 ASP CB C 63 39.029 39.029 40.946 -1.917 19327 4142 1 12 . 1 1 63 63 ASP H H 63 8.855 8.855 8.107 0.748 19327 4143 1 12 . 1 1 64 64 GLU N N 64 121.428 121.428 120.023 1.405 19327 4144 1 12 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.135 -0.058 19327 4145 1 12 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.151 0.744 19327 4146 1 12 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.226 -0.102 19327 4147 1 12 . 1 1 64 64 GLU H H 64 8.053 8.053 7.989 0.064 19327 4148 1 12 . 1 1 65 65 LYS N N 65 115.778 115.778 117.705 -1.927 19327 4149 1 12 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.266 0.054 19327 4150 1 12 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.858 -1.028 19327 4151 1 12 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.872 0.147 19327 4152 1 12 . 1 1 65 65 LYS H H 65 7.186 7.186 7.865 -0.679 19327 4153 1 12 . 1 1 66 66 GLY N N 66 107.578 107.578 105.592 1.986 19327 4154 1 12 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.006 0.816 19327 4155 1 12 . 1 1 66 66 GLY H H 66 7.873 7.873 7.587 0.286 19327 4156 1 12 . 1 1 67 67 ALA N N 67 119.025 119.025 122.558 -3.533 19327 4157 1 12 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.210 -0.188 19327 4158 1 12 . 1 1 67 67 ALA CA C 67 51.699 51.699 51.779 -0.080 19327 4159 1 12 . 1 1 67 67 ALA CB C 67 21.210 21.210 20.058 1.152 19327 4160 1 12 . 1 1 67 67 ALA H H 67 7.927 7.927 7.743 0.184 19327 4161 1 12 . 1 1 68 68 ASP N N 68 116.686 116.686 122.059 -5.373 19327 4162 1 12 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.885 0.186 19327 4163 1 12 . 1 1 68 68 ASP CA C 68 56.601 56.601 56.189 0.412 19327 4164 1 12 . 1 1 68 68 ASP CB C 68 45.008 45.008 43.233 1.774 19327 4165 1 12 . 1 1 68 68 ASP H H 68 8.793 8.793 8.375 0.418 19327 4166 1 12 . 1 1 69 69 VAL N N 69 118.623 118.623 120.293 -1.670 19327 4167 1 12 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.571 0.559 19327 4168 1 12 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.088 -0.658 19327 4169 1 12 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.446 2.157 19327 4170 1 12 . 1 1 69 69 VAL H H 69 8.076 8.076 8.176 -0.100 19327 4171 1 12 . 1 1 70 70 VAL N N 70 127.358 127.358 128.359 -1.001 19327 4172 1 12 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.206 0.354 19327 4173 1 12 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.596 -1.653 19327 4174 1 12 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.058 2.375 19327 4175 1 12 . 1 1 70 70 VAL H H 70 8.724 8.724 9.028 -0.304 19327 4176 1 12 . 1 1 71 71 VAL N N 71 126.739 126.739 129.011 -2.272 19327 4177 1 12 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.474 0.082 19327 4178 1 12 . 1 1 71 71 VAL CA C 71 60.852 60.852 61.573 -0.721 19327 4179 1 12 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.811 2.251 19327 4180 1 12 . 1 1 71 71 VAL H H 71 8.891 8.891 8.907 -0.016 19327 4181 1 12 . 1 1 72 72 LEU N N 72 127.581 127.581 129.669 -2.088 19327 4182 1 12 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.511 -0.063 19327 4183 1 12 . 1 1 72 72 LEU CA C 72 55.720 55.720 54.474 1.246 19327 4184 1 12 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.476 2.155 19327 4185 1 12 . 1 1 72 72 LEU H H 72 8.802 8.802 8.490 0.312 19327 4186 1 12 . 1 1 73 73 THR N N 73 114.207 114.207 115.273 -1.066 19327 4187 1 12 . 1 1 73 73 THR HA H 73 4.420 4.420 4.133 0.287 19327 4188 1 12 . 1 1 73 73 THR CA C 73 61.516 61.516 63.764 -2.248 19327 4189 1 12 . 1 1 73 73 THR CB C 73 69.462 69.462 69.168 0.294 19327 4190 1 12 . 1 1 73 73 THR H H 73 8.631 8.631 7.979 0.652 19327 4191 1 12 . 1 1 74 74 SER N N 74 116.164 116.164 118.472 -2.308 19327 4192 1 12 . 1 1 74 74 SER HA H 74 4.542 4.542 4.522 0.020 19327 4193 1 12 . 1 1 74 74 SER CA C 74 58.066 58.066 59.041 -0.975 19327 4194 1 12 . 1 1 74 74 SER CB C 74 63.962 63.962 63.879 0.083 19327 4195 1 12 . 1 1 74 74 SER H H 74 8.137 8.137 8.143 -0.006 19327 4196 1 12 . 1 1 75 75 GLY N N 75 110.048 110.048 110.230 -0.182 19327 4197 1 12 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.671 0.613 19327 4198 1 12 . 1 1 75 75 GLY H H 75 8.574 8.574 8.568 0.006 19327 4199 1 12 . 1 1 76 76 GLN N N 76 119.520 119.520 126.868 -7.348 19327 4200 1 12 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.143 0.356 19327 4201 1 12 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.652 -0.683 19327 4202 1 12 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.925 1.836 19327 4203 1 12 . 1 1 76 76 GLN H H 76 8.393 8.393 8.302 0.091 19327 4204 1 12 . 1 1 77 77 THR N N 77 113.213 113.213 120.582 -7.369 19327 4205 1 12 . 1 1 77 77 THR HA H 77 4.432 4.432 4.459 -0.027 19327 4206 1 12 . 1 1 77 77 THR CA C 77 61.408 61.408 62.023 -0.615 19327 4207 1 12 . 1 1 77 77 THR CB C 77 69.786 69.786 69.737 0.049 19327 4208 1 12 . 1 1 77 77 THR H H 77 8.105 8.105 8.242 -0.137 19327 4209 1 12 . 1 1 78 78 GLU N N 78 120.912 120.912 118.136 2.776 19327 4210 1 12 . 1 1 78 78 GLU HA H 78 4.248 4.248 4.036 0.212 19327 4211 1 12 . 1 1 78 78 GLU CA C 78 56.990 56.990 57.444 -0.454 19327 4212 1 12 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.524 2.265 19327 4213 1 12 . 1 1 78 78 GLU H H 78 8.454 8.454 8.614 -0.160 19327 4214 1 12 . 1 1 79 79 ASN N N 79 117.094 117.094 119.530 -2.436 19327 4215 1 12 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.704 -0.099 19327 4216 1 12 . 1 1 79 79 ASN CA C 79 53.760 53.760 52.675 1.085 19327 4217 1 12 . 1 1 79 79 ASN CB C 79 38.731 38.731 37.445 1.286 19327 4218 1 12 . 1 1 79 79 ASN H H 79 8.329 8.329 8.229 0.100 19327 4219 1 12 . 1 1 80 80 LYS N N 80 118.942 118.942 116.661 2.281 19327 4220 1 12 . 1 1 80 80 LYS HA H 80 4.307 4.307 3.767 0.540 19327 4221 1 12 . 1 1 80 80 LYS CA C 80 56.116 56.116 57.198 -1.082 19327 4222 1 12 . 1 1 80 80 LYS CB C 80 33.378 33.378 30.262 3.116 19327 4223 1 12 . 1 1 80 80 LYS H H 80 7.910 7.910 8.122 -0.212 19327 4224 1 12 . 1 1 81 81 ILE N N 81 119.677 119.677 113.942 5.735 19327 4225 1 12 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.018 0.288 19327 4226 1 12 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.944 -0.418 19327 4227 1 12 . 1 1 81 81 ILE CB C 81 40.050 40.050 38.503 1.547 19327 4228 1 12 . 1 1 81 81 ILE H H 81 8.341 8.341 7.507 0.834 19327 4229 1 12 . 1 1 82 82 HIS N N 82 121.812 121.812 120.298 1.514 19327 4230 1 12 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.873 -0.097 19327 4231 1 12 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.589 -0.905 19327 4232 1 12 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.852 -1.922 19327 4233 1 12 . 1 1 82 82 HIS H H 82 8.472 8.472 8.807 -0.335 19327 4234 1 12 . 1 1 83 83 GLY N N 83 111.641 111.641 108.462 3.179 19327 4235 1 12 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.587 -0.463 19327 4236 1 12 . 1 1 83 83 GLY H H 83 8.334 8.334 8.444 -0.110 19327 4237 1 12 . 1 1 84 84 THR N N 84 112.460 112.460 111.343 1.117 19327 4238 1 12 . 1 1 84 84 THR HA H 84 5.037 5.037 5.144 -0.107 19327 4239 1 12 . 1 1 84 84 THR CA C 84 60.301 60.301 59.980 0.321 19327 4240 1 12 . 1 1 84 84 THR CB C 84 72.048 72.048 70.872 1.176 19327 4241 1 12 . 1 1 84 84 THR H H 84 8.125 8.125 7.505 0.620 19327 4242 1 12 . 1 1 85 85 ALA N N 85 122.513 122.513 125.354 -2.841 19327 4243 1 12 . 1 1 85 85 ALA HA H 85 4.959 4.959 4.900 0.059 19327 4244 1 12 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.908 0.362 19327 4245 1 12 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.829 1.014 19327 4246 1 12 . 1 1 85 85 ALA H H 85 8.841 8.841 8.731 0.110 19327 4247 1 12 . 1 1 86 86 ASP N N 86 121.651 121.651 123.672 -2.021 19327 4248 1 12 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.871 0.327 19327 4249 1 12 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.621 -1.144 19327 4250 1 12 . 1 1 86 86 ASP CB C 86 43.329 43.329 41.955 1.375 19327 4251 1 12 . 1 1 86 86 ASP H H 86 8.506 8.506 8.258 0.248 19327 4252 1 12 . 1 1 87 87 ILE N N 87 111.376 111.376 118.092 -6.716 19327 4253 1 12 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.122 0.257 19327 4254 1 12 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.573 -1.384 19327 4255 1 12 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.792 1.597 19327 4256 1 12 . 1 1 87 87 ILE H H 87 7.966 7.966 8.278 -0.312 19327 4257 1 12 . 1 1 88 88 TYR N N 88 118.138 118.138 125.514 -7.376 19327 4258 1 12 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.114 0.329 19327 4259 1 12 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.478 0.539 19327 4260 1 12 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.710 1.464 19327 4261 1 12 . 1 1 88 88 TYR H H 88 8.754 8.754 9.009 -0.255 19327 4262 1 12 . 1 1 89 89 LYS N N 89 123.705 123.705 121.941 1.764 19327 4263 1 12 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.005 0.172 19327 4264 1 12 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.252 0.214 19327 4265 1 12 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.704 1.434 19327 4266 1 12 . 1 1 89 89 LYS H H 89 9.595 9.595 8.905 0.690 19327 4267 1 12 . 1 1 90 90 LYS N N 90 129.328 129.328 128.618 0.710 19327 4268 1 12 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.622 -0.802 19327 4269 1 12 . 1 1 90 90 LYS CA C 90 57.666 57.666 57.733 -0.066 19327 4270 1 12 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.104 -0.277 19327 4271 1 12 . 1 1 90 90 LYS H H 90 10.195 10.195 8.880 1.315 19327 4272 1 12 . 1 1 91 91 LYS N N 91 126.034 126.034 125.505 0.529 19327 4273 1 12 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.177 -0.067 19327 4274 1 12 . 1 1 91 91 LYS CA C 91 57.325 57.325 58.361 -1.036 19327 4275 1 12 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.717 0.608 19327 4276 1 12 . 1 1 91 91 LYS H H 91 8.459 8.459 8.444 0.015 19327 4277 1 12 . 1 1 92 92 LEU N N 92 123.360 123.360 119.494 3.866 19327 4278 1 12 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.484 -0.199 19327 4279 1 12 . 1 1 92 92 LEU CA C 92 54.817 54.817 53.631 1.186 19327 4280 1 12 . 1 1 92 92 LEU CB C 92 42.315 42.315 43.154 -0.839 19327 4281 1 12 . 1 1 92 92 LEU H H 92 8.266 8.266 7.711 0.555 19327 4282 1 12 . 1 1 93 93 GLU N N 93 121.993 121.993 117.625 4.368 19327 4283 1 12 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.487 -0.263 19327 4284 1 12 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.794 0.038 19327 4285 1 12 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.657 -0.232 19327 4286 1 12 . 1 1 93 93 GLU H H 93 8.311 8.311 8.364 -0.053 19327 4287 1 12 . 1 1 94 94 HIS N N 94 119.802 119.802 120.297 -0.495 19327 4288 1 12 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.792 -0.156 19327 4289 1 12 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.826 -0.767 19327 4290 1 12 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.284 -0.152 19327 4291 1 12 . 1 1 94 94 HIS H H 94 8.567 8.567 8.777 -0.210 19327 4292 1 12 . 1 1 95 95 HIS N N 95 119.430 119.430 122.393 -2.963 19327 4293 1 12 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.636 0.001 19327 4294 1 12 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.525 -0.351 19327 4295 1 12 . 1 1 95 95 HIS CB C 95 29.082 29.082 30.669 -1.587 19327 4296 1 12 . 1 1 95 95 HIS H H 95 8.600 8.600 8.739 -0.139 19327 4297 1 13 . 1 1 23 23 GLU N N 23 117.829 117.829 122.995 -5.166 19327 4298 1 13 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.644 0.069 19327 4299 1 13 . 1 1 23 23 GLU C C 23 174.825 174.825 175.795 -0.970 19327 4300 1 13 . 1 1 23 23 GLU CA C 23 54.363 54.363 53.840 0.523 19327 4301 1 13 . 1 1 23 23 GLU CB C 23 32.640 32.640 30.321 2.319 19327 4302 1 13 . 1 1 23 23 GLU H H 23 7.921 7.921 8.362 -0.441 19327 4303 1 13 . 1 1 24 24 ILE N N 24 123.913 123.913 126.550 -2.637 19327 4304 1 13 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.278 0.593 19327 4305 1 13 . 1 1 24 24 ILE C C 24 176.427 176.427 176.063 0.364 19327 4306 1 13 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.756 -0.468 19327 4307 1 13 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.558 1.700 19327 4308 1 13 . 1 1 24 24 ILE H H 24 8.873 8.873 8.734 0.139 19327 4309 1 13 . 1 1 25 25 MET N N 25 127.256 127.256 128.332 -1.076 19327 4310 1 13 . 1 1 25 25 MET HA H 25 4.761 4.761 4.700 0.061 19327 4311 1 13 . 1 1 25 25 MET C C 25 175.735 175.735 175.112 0.623 19327 4312 1 13 . 1 1 25 25 MET CA C 25 54.339 54.339 54.180 0.159 19327 4313 1 13 . 1 1 25 25 MET CB C 25 37.347 37.347 36.574 0.773 19327 4314 1 13 . 1 1 25 25 MET H H 25 8.727 8.727 8.701 0.026 19327 4315 1 13 . 1 1 26 26 LYS N N 26 123.671 123.671 123.045 0.626 19327 4316 1 13 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.205 0.110 19327 4317 1 13 . 1 1 26 26 LYS C C 26 178.259 178.259 177.722 0.537 19327 4318 1 13 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.391 0.334 19327 4319 1 13 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.320 -0.357 19327 4320 1 13 . 1 1 26 26 LYS H H 26 9.189 9.189 8.844 0.345 19327 4321 1 13 . 1 1 27 27 LYS N N 27 126.369 126.369 124.578 1.791 19327 4322 1 13 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.031 -0.167 19327 4323 1 13 . 1 1 27 27 LYS C C 27 177.241 177.241 178.630 -1.389 19327 4324 1 13 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.544 1.043 19327 4325 1 13 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.082 0.277 19327 4326 1 13 . 1 1 27 27 LYS H H 27 8.871 8.871 8.235 0.636 19327 4327 1 13 . 1 1 28 28 THR N N 28 107.099 107.099 111.726 -4.627 19327 4328 1 13 . 1 1 28 28 THR HA H 28 4.135 4.135 4.023 0.112 19327 4329 1 13 . 1 1 28 28 THR CA C 28 64.757 64.757 66.271 -1.514 19327 4330 1 13 . 1 1 28 28 THR CB C 28 68.084 68.084 67.933 0.151 19327 4331 1 13 . 1 1 28 28 THR H H 28 8.110 8.110 8.233 -0.123 19327 4332 1 13 . 1 1 29 29 ASP N N 29 119.543 119.543 121.890 -2.347 19327 4333 1 13 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.394 0.192 19327 4334 1 13 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.878 -0.222 19327 4335 1 13 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.763 -0.036 19327 4336 1 13 . 1 1 29 29 ASP H H 29 6.779 6.779 7.649 -0.870 19327 4337 1 13 . 1 1 30 30 PHE N N 30 123.437 123.437 120.336 3.101 19327 4338 1 13 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.149 -0.213 19327 4339 1 13 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.977 -0.115 19327 4340 1 13 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.026 0.004 19327 4341 1 13 . 1 1 30 30 PHE H H 30 8.633 8.633 8.469 0.164 19327 4342 1 13 . 1 1 31 31 ASP N N 31 117.040 117.040 119.784 -2.744 19327 4343 1 13 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.132 0.018 19327 4344 1 13 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.780 -0.705 19327 4345 1 13 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.645 -0.659 19327 4346 1 13 . 1 1 31 31 ASP H H 31 8.650 8.650 8.260 0.390 19327 4347 1 13 . 1 1 32 32 LYS N N 32 114.800 114.800 118.650 -3.850 19327 4348 1 13 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.028 0.086 19327 4349 1 13 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.614 -0.227 19327 4350 1 13 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.604 0.651 19327 4351 1 13 . 1 1 32 32 LYS H H 32 6.927 6.927 8.028 -1.101 19327 4352 1 13 . 1 1 33 33 VAL N N 33 109.380 109.380 111.027 -1.647 19327 4353 1 13 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.434 0.185 19327 4354 1 13 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.048 0.012 19327 4355 1 13 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.596 0.838 19327 4356 1 13 . 1 1 33 33 VAL H H 33 7.404 7.404 7.338 0.066 19327 4357 1 13 . 1 1 34 34 ALA N N 34 124.530 124.530 126.057 -1.527 19327 4358 1 13 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.117 -0.101 19327 4359 1 13 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.057 0.207 19327 4360 1 13 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.226 1.168 19327 4361 1 13 . 1 1 34 34 ALA H H 34 6.714 6.714 7.535 -0.821 19327 4362 1 13 . 1 1 35 35 SER N N 35 110.547 110.547 110.569 -0.022 19327 4363 1 13 . 1 1 35 35 SER HA H 35 4.324 4.324 4.196 0.128 19327 4364 1 13 . 1 1 35 35 SER CA C 35 60.456 60.456 59.811 0.645 19327 4365 1 13 . 1 1 35 35 SER CB C 35 62.536 62.536 62.349 0.187 19327 4366 1 13 . 1 1 35 35 SER H H 35 8.121 8.121 8.348 -0.227 19327 4367 1 13 . 1 1 36 36 GLU N N 36 119.216 119.216 119.532 -0.316 19327 4368 1 13 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.283 -0.010 19327 4369 1 13 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.923 -0.136 19327 4370 1 13 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.942 -0.857 19327 4371 1 13 . 1 1 36 36 GLU H H 36 8.305 8.305 7.670 0.635 19327 4372 1 13 . 1 1 37 37 TYR N N 37 117.179 117.179 117.527 -0.348 19327 4373 1 13 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.575 -0.425 19327 4374 1 13 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.885 1.071 19327 4375 1 13 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.328 1.911 19327 4376 1 13 . 1 1 37 37 TYR H H 37 7.922 7.922 7.662 0.260 19327 4377 1 13 . 1 1 38 38 THR N N 38 115.546 115.546 116.251 -0.705 19327 4378 1 13 . 1 1 38 38 THR HA H 38 4.843 4.843 4.832 0.011 19327 4379 1 13 . 1 1 38 38 THR CA C 38 60.454 60.454 60.303 0.151 19327 4380 1 13 . 1 1 38 38 THR CB C 38 71.300 71.300 71.088 0.212 19327 4381 1 13 . 1 1 38 38 THR H H 38 9.483 9.483 9.096 0.387 19327 4382 1 13 . 1 1 39 39 LYS N N 39 130.415 130.415 130.184 0.231 19327 4383 1 13 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.562 0.321 19327 4384 1 13 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.314 1.301 19327 4385 1 13 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.958 0.632 19327 4386 1 13 . 1 1 39 39 LYS H H 39 9.290 9.290 8.690 0.600 19327 4387 1 13 . 1 1 40 40 ILE N N 40 122.004 122.004 122.685 -0.681 19327 4388 1 13 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.428 0.130 19327 4389 1 13 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.490 0.562 19327 4390 1 13 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.828 0.529 19327 4391 1 13 . 1 1 40 40 ILE H H 40 8.819 8.819 8.408 0.411 19327 4392 1 13 . 1 1 41 41 GLY N N 41 107.582 107.582 108.251 -0.669 19327 4393 1 13 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.605 -0.399 19327 4394 1 13 . 1 1 41 41 GLY H H 41 7.136 7.136 7.314 -0.178 19327 4395 1 13 . 1 1 42 42 THR N N 42 115.052 115.052 115.205 -0.153 19327 4396 1 13 . 1 1 42 42 THR HA H 42 5.237 5.237 4.763 0.474 19327 4397 1 13 . 1 1 42 42 THR CA C 42 60.959 60.959 61.740 -0.781 19327 4398 1 13 . 1 1 42 42 THR CB C 42 72.255 72.255 70.894 1.361 19327 4399 1 13 . 1 1 42 42 THR H H 42 8.218 8.218 8.232 -0.014 19327 4400 1 13 . 1 1 43 43 ILE N N 43 118.029 118.029 121.959 -3.930 19327 4401 1 13 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.818 -0.031 19327 4402 1 13 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.106 0.446 19327 4403 1 13 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.249 1.452 19327 4404 1 13 . 1 1 43 43 ILE H H 43 9.129 9.129 8.958 0.171 19327 4405 1 13 . 1 1 44 44 SER N N 44 113.484 113.484 117.053 -3.569 19327 4406 1 13 . 1 1 44 44 SER HA H 44 5.252 5.252 5.234 0.018 19327 4407 1 13 . 1 1 44 44 SER CA C 44 56.792 56.792 57.058 -0.266 19327 4408 1 13 . 1 1 44 44 SER CB C 44 66.063 66.063 65.297 0.766 19327 4409 1 13 . 1 1 44 44 SER H H 44 8.335 8.335 8.271 0.064 19327 4410 1 13 . 1 1 45 45 THR N N 45 113.454 113.454 118.071 -4.617 19327 4411 1 13 . 1 1 45 45 THR HA H 45 4.555 4.555 4.625 -0.070 19327 4412 1 13 . 1 1 45 45 THR CA C 45 60.871 60.871 61.149 -0.278 19327 4413 1 13 . 1 1 45 45 THR CB C 45 70.060 70.060 70.058 0.001 19327 4414 1 13 . 1 1 45 45 THR H H 45 8.375 8.375 8.336 0.039 19327 4415 1 13 . 1 1 46 46 THR N N 46 117.848 117.848 116.514 1.334 19327 4416 1 13 . 1 1 46 46 THR HA H 46 4.401 4.401 4.166 0.235 19327 4417 1 13 . 1 1 46 46 THR CA C 46 62.097 62.097 65.115 -3.018 19327 4418 1 13 . 1 1 46 46 THR CB C 46 69.387 69.387 69.147 0.240 19327 4419 1 13 . 1 1 46 46 THR H H 46 8.542 8.542 8.599 -0.057 19327 4420 1 13 . 1 1 47 47 GLY N N 47 111.660 111.660 107.718 3.942 19327 4421 1 13 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.943 -0.060 19327 4422 1 13 . 1 1 47 47 GLY H H 47 8.325 8.325 7.562 0.763 19327 4423 1 13 . 1 1 48 48 GLU N N 48 120.153 120.153 122.834 -2.681 19327 4424 1 13 . 1 1 48 48 GLU HA H 48 4.396 4.396 3.923 0.473 19327 4425 1 13 . 1 1 48 48 GLU CA C 48 55.704 55.704 57.251 -1.547 19327 4426 1 13 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.486 0.108 19327 4427 1 13 . 1 1 48 48 GLU H H 48 8.437 8.437 8.412 0.025 19327 4428 1 13 . 1 1 49 49 MET N N 49 120.146 120.146 123.485 -3.339 19327 4429 1 13 . 1 1 49 49 MET HA H 49 4.696 4.696 4.769 -0.073 19327 4430 1 13 . 1 1 49 49 MET CA C 49 55.028 55.028 53.522 1.506 19327 4431 1 13 . 1 1 49 49 MET CB C 49 36.079 36.079 37.656 -1.577 19327 4432 1 13 . 1 1 49 49 MET H H 49 8.390 8.390 8.313 0.077 19327 4433 1 13 . 1 1 50 50 SER N N 50 118.105 118.105 116.525 1.580 19327 4434 1 13 . 1 1 50 50 SER HA H 50 4.780 4.780 4.547 0.233 19327 4435 1 13 . 1 1 50 50 SER CA C 50 56.822 56.822 56.795 0.027 19327 4436 1 13 . 1 1 50 50 SER CB C 50 62.631 62.631 62.809 -0.178 19327 4437 1 13 . 1 1 50 50 SER H H 50 9.023 9.023 8.466 0.557 19327 4438 1 13 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.156 0.085 19327 4439 1 13 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.145 0.933 19327 4440 1 13 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.605 0.403 19327 4441 1 13 . 1 1 52 52 LEU N N 52 117.624 117.624 117.564 0.060 19327 4442 1 13 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.016 0.096 19327 4443 1 13 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.808 0.140 19327 4444 1 13 . 1 1 52 52 LEU CB C 52 41.592 41.592 41.176 0.416 19327 4445 1 13 . 1 1 52 52 LEU H H 52 8.169 8.169 8.030 0.139 19327 4446 1 13 . 1 1 53 53 ASP N N 53 120.042 120.042 119.119 0.923 19327 4447 1 13 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.439 -0.017 19327 4448 1 13 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.620 -0.872 19327 4449 1 13 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.438 -0.598 19327 4450 1 13 . 1 1 53 53 ASP H H 53 7.515 7.515 7.950 -0.435 19327 4451 1 13 . 1 1 54 54 ALA N N 54 123.542 123.542 123.674 -0.132 19327 4452 1 13 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.068 0.142 19327 4453 1 13 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.857 -0.057 19327 4454 1 13 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.542 -0.100 19327 4455 1 13 . 1 1 54 54 ALA H H 54 8.806 8.806 8.011 0.795 19327 4456 1 13 . 1 1 55 55 ARG N N 55 117.281 117.281 118.541 -1.260 19327 4457 1 13 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.941 -0.199 19327 4458 1 13 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.761 0.540 19327 4459 1 13 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.029 0.238 19327 4460 1 13 . 1 1 55 55 ARG H H 55 7.869 7.869 7.995 -0.126 19327 4461 1 13 . 1 1 56 56 GLU N N 56 116.048 116.048 118.549 -2.501 19327 4462 1 13 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.007 0.002 19327 4463 1 13 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.119 -0.279 19327 4464 1 13 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.943 -0.253 19327 4465 1 13 . 1 1 56 56 GLU H H 56 7.638 7.638 7.684 -0.046 19327 4466 1 13 . 1 1 57 57 ASP N N 57 120.238 120.238 120.665 -0.427 19327 4467 1 13 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.457 -0.073 19327 4468 1 13 . 1 1 57 57 ASP CA C 57 57.474 57.474 56.870 0.604 19327 4469 1 13 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.812 1.720 19327 4470 1 13 . 1 1 57 57 ASP H H 57 8.126 8.126 7.800 0.326 19327 4471 1 13 . 1 1 58 58 LEU N N 58 117.410 117.410 119.601 -2.191 19327 4472 1 13 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.944 -0.083 19327 4473 1 13 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.797 -0.201 19327 4474 1 13 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.924 -0.310 19327 4475 1 13 . 1 1 58 58 LEU H H 58 8.172 8.172 7.840 0.332 19327 4476 1 13 . 1 1 59 59 ILE N N 59 118.841 118.841 120.038 -1.197 19327 4477 1 13 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.551 -0.248 19327 4478 1 13 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.564 0.193 19327 4479 1 13 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.644 -0.081 19327 4480 1 13 . 1 1 59 59 ILE H H 59 8.028 8.028 8.356 -0.328 19327 4481 1 13 . 1 1 60 60 LYS N N 60 119.525 119.525 120.649 -1.124 19327 4482 1 13 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.864 0.230 19327 4483 1 13 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.108 -0.355 19327 4484 1 13 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.259 -0.124 19327 4485 1 13 . 1 1 60 60 LYS H H 60 7.895 7.895 8.105 -0.210 19327 4486 1 13 . 1 1 61 61 LYS N N 61 119.257 119.257 118.756 0.501 19327 4487 1 13 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.006 -0.019 19327 4488 1 13 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.285 -0.011 19327 4489 1 13 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.380 1.164 19327 4490 1 13 . 1 1 61 61 LYS H H 61 8.086 8.086 8.003 0.083 19327 4491 1 13 . 1 1 62 62 ALA N N 62 122.326 122.326 120.924 1.402 19327 4492 1 13 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.024 -0.251 19327 4493 1 13 . 1 1 62 62 ALA CA C 62 55.037 55.037 54.708 0.329 19327 4494 1 13 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.401 0.702 19327 4495 1 13 . 1 1 62 62 ALA H H 62 8.489 8.489 8.065 0.424 19327 4496 1 13 . 1 1 63 63 ASP N N 63 120.381 120.381 118.937 1.444 19327 4497 1 13 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.375 0.220 19327 4498 1 13 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.083 -0.003 19327 4499 1 13 . 1 1 63 63 ASP CB C 63 39.029 39.029 40.920 -1.891 19327 4500 1 13 . 1 1 63 63 ASP H H 63 8.855 8.855 8.083 0.772 19327 4501 1 13 . 1 1 64 64 GLU N N 64 121.428 121.428 120.507 0.921 19327 4502 1 13 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.066 0.011 19327 4503 1 13 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.848 0.047 19327 4504 1 13 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.473 -0.349 19327 4505 1 13 . 1 1 64 64 GLU H H 64 8.053 8.053 8.097 -0.044 19327 4506 1 13 . 1 1 65 65 LYS N N 65 115.778 115.778 115.511 0.267 19327 4507 1 13 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.372 -0.052 19327 4508 1 13 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.274 -0.444 19327 4509 1 13 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.681 0.338 19327 4510 1 13 . 1 1 65 65 LYS H H 65 7.186 7.186 7.761 -0.575 19327 4511 1 13 . 1 1 66 66 GLY N N 66 107.578 107.578 107.707 -0.129 19327 4512 1 13 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.579 0.243 19327 4513 1 13 . 1 1 66 66 GLY H H 66 7.873 7.873 7.626 0.247 19327 4514 1 13 . 1 1 67 67 ALA N N 67 119.025 119.025 121.497 -2.472 19327 4515 1 13 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.145 -0.123 19327 4516 1 13 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.306 -0.607 19327 4517 1 13 . 1 1 67 67 ALA CB C 67 21.210 21.210 20.052 1.157 19327 4518 1 13 . 1 1 67 67 ALA H H 67 7.927 7.927 7.564 0.363 19327 4519 1 13 . 1 1 68 68 ASP N N 68 116.686 116.686 123.814 -7.128 19327 4520 1 13 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.618 0.453 19327 4521 1 13 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.866 -1.265 19327 4522 1 13 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.027 2.981 19327 4523 1 13 . 1 1 68 68 ASP H H 68 8.793 8.793 8.438 0.355 19327 4524 1 13 . 1 1 69 69 VAL N N 69 118.623 118.623 116.957 1.666 19327 4525 1 13 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.594 0.536 19327 4526 1 13 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.672 -0.242 19327 4527 1 13 . 1 1 69 69 VAL CB C 69 37.603 37.603 36.234 1.369 19327 4528 1 13 . 1 1 69 69 VAL H H 69 8.076 8.076 8.137 -0.061 19327 4529 1 13 . 1 1 70 70 VAL N N 70 127.358 127.358 125.842 1.516 19327 4530 1 13 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.287 0.273 19327 4531 1 13 . 1 1 70 70 VAL CA C 70 59.943 59.943 60.283 -0.340 19327 4532 1 13 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.442 1.991 19327 4533 1 13 . 1 1 70 70 VAL H H 70 8.724 8.724 8.642 0.082 19327 4534 1 13 . 1 1 71 71 VAL N N 71 126.739 126.739 128.726 -1.987 19327 4535 1 13 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.520 0.036 19327 4536 1 13 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.624 0.228 19327 4537 1 13 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.347 2.715 19327 4538 1 13 . 1 1 71 71 VAL H H 71 8.891 8.891 8.573 0.318 19327 4539 1 13 . 1 1 72 72 LEU N N 72 127.581 127.581 130.118 -2.537 19327 4540 1 13 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.269 0.179 19327 4541 1 13 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.465 0.255 19327 4542 1 13 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.437 1.194 19327 4543 1 13 . 1 1 72 72 LEU H H 72 8.802 8.802 8.450 0.352 19327 4544 1 13 . 1 1 73 73 THR N N 73 114.207 114.207 114.734 -0.527 19327 4545 1 13 . 1 1 73 73 THR HA H 73 4.420 4.420 4.335 0.085 19327 4546 1 13 . 1 1 73 73 THR CA C 73 61.516 61.516 61.268 0.248 19327 4547 1 13 . 1 1 73 73 THR CB C 73 69.462 69.462 69.094 0.368 19327 4548 1 13 . 1 1 73 73 THR H H 73 8.631 8.631 8.071 0.560 19327 4549 1 13 . 1 1 74 74 SER N N 74 116.164 116.164 118.809 -2.645 19327 4550 1 13 . 1 1 74 74 SER HA H 74 4.542 4.542 4.347 0.195 19327 4551 1 13 . 1 1 74 74 SER CA C 74 58.066 58.066 58.485 -0.419 19327 4552 1 13 . 1 1 74 74 SER CB C 74 63.962 63.962 63.431 0.531 19327 4553 1 13 . 1 1 74 74 SER H H 74 8.137 8.137 7.538 0.599 19327 4554 1 13 . 1 1 75 75 GLY N N 75 110.048 110.048 111.254 -1.206 19327 4555 1 13 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.859 0.425 19327 4556 1 13 . 1 1 75 75 GLY H H 75 8.574 8.574 8.549 0.025 19327 4557 1 13 . 1 1 76 76 GLN N N 76 119.520 119.520 125.285 -5.765 19327 4558 1 13 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.283 0.216 19327 4559 1 13 . 1 1 76 76 GLN CA C 76 55.969 55.969 55.862 0.107 19327 4560 1 13 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.110 1.651 19327 4561 1 13 . 1 1 76 76 GLN H H 76 8.393 8.393 8.503 -0.110 19327 4562 1 13 . 1 1 77 77 THR N N 77 113.213 113.213 120.604 -7.391 19327 4563 1 13 . 1 1 77 77 THR HA H 77 4.432 4.432 4.357 0.075 19327 4564 1 13 . 1 1 77 77 THR CA C 77 61.408 61.408 61.468 -0.060 19327 4565 1 13 . 1 1 77 77 THR CB C 77 69.786 69.786 69.239 0.547 19327 4566 1 13 . 1 1 77 77 THR H H 77 8.105 8.105 8.301 -0.196 19327 4567 1 13 . 1 1 78 78 GLU N N 78 120.912 120.912 120.722 0.190 19327 4568 1 13 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.738 0.510 19327 4569 1 13 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.327 -2.337 19327 4570 1 13 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.987 1.802 19327 4571 1 13 . 1 1 78 78 GLU H H 78 8.454 8.454 8.615 -0.161 19327 4572 1 13 . 1 1 79 79 ASN N N 79 117.094 117.094 118.136 -1.042 19327 4573 1 13 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.479 0.126 19327 4574 1 13 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.449 -1.689 19327 4575 1 13 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.213 -0.482 19327 4576 1 13 . 1 1 79 79 ASN H H 79 8.329 8.329 8.045 0.284 19327 4577 1 13 . 1 1 80 80 LYS N N 80 118.942 118.942 120.132 -1.190 19327 4578 1 13 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.406 -0.099 19327 4579 1 13 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.602 0.514 19327 4580 1 13 . 1 1 80 80 LYS CB C 80 33.378 33.378 31.049 2.329 19327 4581 1 13 . 1 1 80 80 LYS H H 80 7.910 7.910 8.168 -0.258 19327 4582 1 13 . 1 1 81 81 ILE N N 81 119.677 119.677 120.334 -0.657 19327 4583 1 13 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.563 -0.257 19327 4584 1 13 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.611 0.915 19327 4585 1 13 . 1 1 81 81 ILE CB C 81 40.050 40.050 41.369 -1.319 19327 4586 1 13 . 1 1 81 81 ILE H H 81 8.341 8.341 7.671 0.670 19327 4587 1 13 . 1 1 82 82 HIS N N 82 121.812 121.812 121.798 0.014 19327 4588 1 13 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.721 0.055 19327 4589 1 13 . 1 1 82 82 HIS CA C 82 54.684 54.684 55.339 -0.655 19327 4590 1 13 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.112 -1.182 19327 4591 1 13 . 1 1 82 82 HIS H H 82 8.472 8.472 8.530 -0.058 19327 4592 1 13 . 1 1 83 83 GLY N N 83 111.641 111.641 110.668 0.973 19327 4593 1 13 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.280 -0.156 19327 4594 1 13 . 1 1 83 83 GLY H H 83 8.334 8.334 8.314 0.020 19327 4595 1 13 . 1 1 84 84 THR N N 84 112.460 112.460 117.035 -4.575 19327 4596 1 13 . 1 1 84 84 THR HA H 84 5.037 5.037 4.898 0.139 19327 4597 1 13 . 1 1 84 84 THR CA C 84 60.301 60.301 61.717 -1.416 19327 4598 1 13 . 1 1 84 84 THR CB C 84 72.048 72.048 70.177 1.871 19327 4599 1 13 . 1 1 84 84 THR H H 84 8.125 8.125 7.230 0.895 19327 4600 1 13 . 1 1 85 85 ALA N N 85 122.513 122.513 130.206 -7.693 19327 4601 1 13 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.157 -0.198 19327 4602 1 13 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.319 0.951 19327 4603 1 13 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.766 1.077 19327 4604 1 13 . 1 1 85 85 ALA H H 85 8.841 8.841 8.959 -0.118 19327 4605 1 13 . 1 1 86 86 ASP N N 86 121.651 121.651 124.973 -3.322 19327 4606 1 13 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.918 0.280 19327 4607 1 13 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.561 -1.084 19327 4608 1 13 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.172 1.157 19327 4609 1 13 . 1 1 86 86 ASP H H 86 8.506 8.506 8.206 0.300 19327 4610 1 13 . 1 1 87 87 ILE N N 87 111.376 111.376 118.572 -7.196 19327 4611 1 13 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.958 0.421 19327 4612 1 13 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.187 -1.998 19327 4613 1 13 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.059 2.330 19327 4614 1 13 . 1 1 87 87 ILE H H 87 7.966 7.966 8.179 -0.213 19327 4615 1 13 . 1 1 88 88 TYR N N 88 118.138 118.138 125.861 -7.723 19327 4616 1 13 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.458 -0.015 19327 4617 1 13 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.194 0.823 19327 4618 1 13 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.194 0.980 19327 4619 1 13 . 1 1 88 88 TYR H H 88 8.754 8.754 9.028 -0.274 19327 4620 1 13 . 1 1 89 89 LYS N N 89 123.705 123.705 119.802 3.903 19327 4621 1 13 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.063 0.114 19327 4622 1 13 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.400 0.066 19327 4623 1 13 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.367 0.771 19327 4624 1 13 . 1 1 89 89 LYS H H 89 9.595 9.595 8.935 0.660 19327 4625 1 13 . 1 1 90 90 LYS N N 90 129.328 129.328 124.451 4.877 19327 4626 1 13 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.532 -0.712 19327 4627 1 13 . 1 1 90 90 LYS CA C 90 57.666 57.666 55.674 1.992 19327 4628 1 13 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.681 0.146 19327 4629 1 13 . 1 1 90 90 LYS H H 90 10.195 10.195 8.789 1.406 19327 4630 1 13 . 1 1 91 91 LYS N N 91 126.034 126.034 127.922 -1.888 19327 4631 1 13 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.087 0.023 19327 4632 1 13 . 1 1 91 91 LYS CA C 91 57.325 57.325 57.830 -0.505 19327 4633 1 13 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.321 1.004 19327 4634 1 13 . 1 1 91 91 LYS H H 91 8.459 8.459 8.126 0.333 19327 4635 1 13 . 1 1 92 92 LEU N N 92 123.360 123.360 119.368 3.992 19327 4636 1 13 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.034 0.251 19327 4637 1 13 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.468 -0.651 19327 4638 1 13 . 1 1 92 92 LEU CB C 92 42.315 42.315 40.429 1.886 19327 4639 1 13 . 1 1 92 92 LEU H H 92 8.266 8.266 8.563 -0.297 19327 4640 1 13 . 1 1 93 93 GLU N N 93 121.993 121.993 119.722 2.271 19327 4641 1 13 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.166 0.058 19327 4642 1 13 . 1 1 93 93 GLU CA C 93 55.832 55.832 56.891 -1.059 19327 4643 1 13 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.391 0.034 19327 4644 1 13 . 1 1 93 93 GLU H H 93 8.311 8.311 7.495 0.816 19327 4645 1 13 . 1 1 94 94 HIS N N 94 119.802 119.802 126.986 -7.184 19327 4646 1 13 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.705 -0.069 19327 4647 1 13 . 1 1 94 94 HIS CA C 94 55.059 55.059 57.139 -2.080 19327 4648 1 13 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.501 -1.370 19327 4649 1 13 . 1 1 94 94 HIS H H 94 8.567 8.567 8.971 -0.404 19327 4650 1 13 . 1 1 95 95 HIS N N 95 119.430 119.430 121.569 -2.139 19327 4651 1 13 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.094 0.543 19327 4652 1 13 . 1 1 95 95 HIS CA C 95 55.174 55.174 57.166 -1.992 19327 4653 1 13 . 1 1 95 95 HIS CB C 95 29.082 29.082 28.521 0.561 19327 4654 1 13 . 1 1 95 95 HIS H H 95 8.600 8.600 8.698 -0.098 19327 4655 1 14 . 1 1 23 23 GLU N N 23 117.829 117.829 122.243 -4.414 19327 4656 1 14 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.528 0.185 19327 4657 1 14 . 1 1 23 23 GLU C C 23 174.825 174.825 176.017 -1.192 19327 4658 1 14 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.882 -0.519 19327 4659 1 14 . 1 1 23 23 GLU CB C 23 32.640 32.640 30.816 1.824 19327 4660 1 14 . 1 1 23 23 GLU H H 23 7.921 7.921 8.342 -0.421 19327 4661 1 14 . 1 1 24 24 ILE N N 24 123.913 123.913 126.376 -2.463 19327 4662 1 14 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.209 0.662 19327 4663 1 14 . 1 1 24 24 ILE C C 24 176.427 176.427 175.898 0.529 19327 4664 1 14 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.903 -0.615 19327 4665 1 14 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.630 1.628 19327 4666 1 14 . 1 1 24 24 ILE H H 24 8.873 8.873 8.773 0.100 19327 4667 1 14 . 1 1 25 25 MET N N 25 127.256 127.256 127.895 -0.639 19327 4668 1 14 . 1 1 25 25 MET HA H 25 4.761 4.761 4.853 -0.092 19327 4669 1 14 . 1 1 25 25 MET C C 25 175.735 175.735 174.726 1.009 19327 4670 1 14 . 1 1 25 25 MET CA C 25 54.339 54.339 54.084 0.255 19327 4671 1 14 . 1 1 25 25 MET CB C 25 37.347 37.347 36.944 0.404 19327 4672 1 14 . 1 1 25 25 MET H H 25 8.727 8.727 8.864 -0.137 19327 4673 1 14 . 1 1 26 26 LYS N N 26 123.671 123.671 121.432 2.239 19327 4674 1 14 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.572 -0.257 19327 4675 1 14 . 1 1 26 26 LYS C C 26 178.259 178.259 177.469 0.790 19327 4676 1 14 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.012 0.713 19327 4677 1 14 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.232 -0.269 19327 4678 1 14 . 1 1 26 26 LYS H H 26 9.189 9.189 8.683 0.506 19327 4679 1 14 . 1 1 27 27 LYS N N 27 126.369 126.369 121.720 4.649 19327 4680 1 14 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.045 -0.181 19327 4681 1 14 . 1 1 27 27 LYS C C 27 177.241 177.241 178.659 -1.418 19327 4682 1 14 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.520 1.067 19327 4683 1 14 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.025 0.334 19327 4684 1 14 . 1 1 27 27 LYS H H 27 8.871 8.871 8.170 0.701 19327 4685 1 14 . 1 1 28 28 THR N N 28 107.099 107.099 114.266 -7.167 19327 4686 1 14 . 1 1 28 28 THR HA H 28 4.135 4.135 3.997 0.138 19327 4687 1 14 . 1 1 28 28 THR CA C 28 64.757 64.757 67.287 -2.530 19327 4688 1 14 . 1 1 28 28 THR CB C 28 68.084 68.084 68.192 -0.108 19327 4689 1 14 . 1 1 28 28 THR H H 28 8.110 8.110 8.574 -0.464 19327 4690 1 14 . 1 1 29 29 ASP N N 29 119.543 119.543 121.120 -1.577 19327 4691 1 14 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.475 0.111 19327 4692 1 14 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.057 -0.401 19327 4693 1 14 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.649 0.078 19327 4694 1 14 . 1 1 29 29 ASP H H 29 6.779 6.779 7.648 -0.869 19327 4695 1 14 . 1 1 30 30 PHE N N 30 123.437 123.437 121.790 1.647 19327 4696 1 14 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.086 -0.150 19327 4697 1 14 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.276 0.586 19327 4698 1 14 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.266 -0.236 19327 4699 1 14 . 1 1 30 30 PHE H H 30 8.633 8.633 8.335 0.298 19327 4700 1 14 . 1 1 31 31 ASP N N 31 117.040 117.040 119.559 -2.519 19327 4701 1 14 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.109 0.041 19327 4702 1 14 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.611 -0.536 19327 4703 1 14 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.713 -0.727 19327 4704 1 14 . 1 1 31 31 ASP H H 31 8.650 8.650 8.425 0.225 19327 4705 1 14 . 1 1 32 32 LYS N N 32 114.800 114.800 117.223 -2.423 19327 4706 1 14 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.041 0.073 19327 4707 1 14 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.613 -0.226 19327 4708 1 14 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.577 0.678 19327 4709 1 14 . 1 1 32 32 LYS H H 32 6.927 6.927 7.653 -0.726 19327 4710 1 14 . 1 1 33 33 VAL N N 33 109.380 109.380 111.823 -2.443 19327 4711 1 14 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.445 0.174 19327 4712 1 14 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.633 -0.573 19327 4713 1 14 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.561 0.873 19327 4714 1 14 . 1 1 33 33 VAL H H 33 7.404 7.404 7.480 -0.076 19327 4715 1 14 . 1 1 34 34 ALA N N 34 124.530 124.530 125.040 -0.510 19327 4716 1 14 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.350 -0.334 19327 4717 1 14 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.760 0.505 19327 4718 1 14 . 1 1 34 34 ALA CB C 34 19.394 19.394 17.748 1.645 19327 4719 1 14 . 1 1 34 34 ALA H H 34 6.714 6.714 7.475 -0.761 19327 4720 1 14 . 1 1 35 35 SER N N 35 110.547 110.547 112.602 -2.055 19327 4721 1 14 . 1 1 35 35 SER HA H 35 4.324 4.324 4.174 0.150 19327 4722 1 14 . 1 1 35 35 SER CA C 35 60.456 60.456 61.398 -0.942 19327 4723 1 14 . 1 1 35 35 SER CB C 35 62.536 62.536 62.754 -0.218 19327 4724 1 14 . 1 1 35 35 SER H H 35 8.121 8.121 8.435 -0.314 19327 4725 1 14 . 1 1 36 36 GLU N N 36 119.216 119.216 117.780 1.436 19327 4726 1 14 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.425 -0.152 19327 4727 1 14 . 1 1 36 36 GLU CA C 36 55.787 55.787 54.624 1.163 19327 4728 1 14 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.317 -0.232 19327 4729 1 14 . 1 1 36 36 GLU H H 36 8.305 8.305 7.914 0.391 19327 4730 1 14 . 1 1 37 37 TYR N N 37 117.179 117.179 118.837 -1.658 19327 4731 1 14 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.542 -0.392 19327 4732 1 14 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.693 1.263 19327 4733 1 14 . 1 1 37 37 TYR CB C 37 44.240 44.240 43.084 1.157 19327 4734 1 14 . 1 1 37 37 TYR H H 37 7.922 7.922 7.874 0.048 19327 4735 1 14 . 1 1 38 38 THR N N 38 115.546 115.546 115.535 0.011 19327 4736 1 14 . 1 1 38 38 THR HA H 38 4.843 4.843 4.763 0.080 19327 4737 1 14 . 1 1 38 38 THR CA C 38 60.454 60.454 60.779 -0.325 19327 4738 1 14 . 1 1 38 38 THR CB C 38 71.300 71.300 70.885 0.415 19327 4739 1 14 . 1 1 38 38 THR H H 38 9.483 9.483 9.258 0.225 19327 4740 1 14 . 1 1 39 39 LYS N N 39 130.415 130.415 129.475 0.940 19327 4741 1 14 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.486 0.397 19327 4742 1 14 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.036 1.579 19327 4743 1 14 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.286 1.304 19327 4744 1 14 . 1 1 39 39 LYS H H 39 9.290 9.290 8.801 0.489 19327 4745 1 14 . 1 1 40 40 ILE N N 40 122.004 122.004 122.051 -0.047 19327 4746 1 14 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.388 0.170 19327 4747 1 14 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.550 0.502 19327 4748 1 14 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.396 0.961 19327 4749 1 14 . 1 1 40 40 ILE H H 40 8.819 8.819 8.321 0.498 19327 4750 1 14 . 1 1 41 41 GLY N N 41 107.582 107.582 107.515 0.067 19327 4751 1 14 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.001 0.205 19327 4752 1 14 . 1 1 41 41 GLY H H 41 7.136 7.136 7.255 -0.119 19327 4753 1 14 . 1 1 42 42 THR N N 42 115.052 115.052 115.723 -0.671 19327 4754 1 14 . 1 1 42 42 THR HA H 42 5.237 5.237 4.979 0.258 19327 4755 1 14 . 1 1 42 42 THR CA C 42 60.959 60.959 61.362 -0.403 19327 4756 1 14 . 1 1 42 42 THR CB C 42 72.255 72.255 71.019 1.236 19327 4757 1 14 . 1 1 42 42 THR H H 42 8.218 8.218 8.258 -0.040 19327 4758 1 14 . 1 1 43 43 ILE N N 43 118.029 118.029 121.104 -3.075 19327 4759 1 14 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.744 0.043 19327 4760 1 14 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.075 0.477 19327 4761 1 14 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.111 1.590 19327 4762 1 14 . 1 1 43 43 ILE H H 43 9.129 9.129 8.990 0.139 19327 4763 1 14 . 1 1 44 44 SER N N 44 113.484 113.484 115.577 -2.093 19327 4764 1 14 . 1 1 44 44 SER HA H 44 5.252 5.252 5.202 0.050 19327 4765 1 14 . 1 1 44 44 SER CA C 44 56.792 56.792 56.688 0.104 19327 4766 1 14 . 1 1 44 44 SER CB C 44 66.063 66.063 66.545 -0.482 19327 4767 1 14 . 1 1 44 44 SER H H 44 8.335 8.335 8.122 0.213 19327 4768 1 14 . 1 1 45 45 THR N N 45 113.454 113.454 115.524 -2.070 19327 4769 1 14 . 1 1 45 45 THR HA H 45 4.555 4.555 4.754 -0.199 19327 4770 1 14 . 1 1 45 45 THR CA C 45 60.871 60.871 61.770 -0.899 19327 4771 1 14 . 1 1 45 45 THR CB C 45 70.060 70.060 69.453 0.607 19327 4772 1 14 . 1 1 45 45 THR H H 45 8.375 8.375 8.235 0.140 19327 4773 1 14 . 1 1 46 46 THR N N 46 117.848 117.848 123.367 -5.519 19327 4774 1 14 . 1 1 46 46 THR HA H 46 4.401 4.401 4.136 0.265 19327 4775 1 14 . 1 1 46 46 THR CA C 46 62.097 62.097 64.655 -2.558 19327 4776 1 14 . 1 1 46 46 THR CB C 46 69.387 69.387 68.710 0.677 19327 4777 1 14 . 1 1 46 46 THR H H 46 8.542 8.542 8.506 0.036 19327 4778 1 14 . 1 1 47 47 GLY N N 47 111.660 111.660 116.656 -4.996 19327 4779 1 14 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.978 -0.095 19327 4780 1 14 . 1 1 47 47 GLY H H 47 8.325 8.325 8.457 -0.132 19327 4781 1 14 . 1 1 48 48 GLU N N 48 120.153 120.153 119.215 0.938 19327 4782 1 14 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.520 -0.124 19327 4783 1 14 . 1 1 48 48 GLU CA C 48 55.704 55.704 55.702 0.002 19327 4784 1 14 . 1 1 48 48 GLU CB C 48 29.594 29.594 30.918 -1.324 19327 4785 1 14 . 1 1 48 48 GLU H H 48 8.437 8.437 8.324 0.113 19327 4786 1 14 . 1 1 49 49 MET N N 49 120.146 120.146 121.717 -1.571 19327 4787 1 14 . 1 1 49 49 MET HA H 49 4.696 4.696 4.670 0.026 19327 4788 1 14 . 1 1 49 49 MET CA C 49 55.028 55.028 53.639 1.389 19327 4789 1 14 . 1 1 49 49 MET CB C 49 36.079 36.079 33.645 2.434 19327 4790 1 14 . 1 1 49 49 MET H H 49 8.390 8.390 7.979 0.411 19327 4791 1 14 . 1 1 50 50 SER N N 50 118.105 118.105 115.562 2.543 19327 4792 1 14 . 1 1 50 50 SER HA H 50 4.780 4.780 4.569 0.211 19327 4793 1 14 . 1 1 50 50 SER CA C 50 56.822 56.822 57.153 -0.331 19327 4794 1 14 . 1 1 50 50 SER CB C 50 62.631 62.631 63.048 -0.417 19327 4795 1 14 . 1 1 50 50 SER H H 50 9.023 9.023 8.355 0.668 19327 4796 1 14 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.141 0.100 19327 4797 1 14 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.254 0.824 19327 4798 1 14 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.680 0.327 19327 4799 1 14 . 1 1 52 52 LEU N N 52 117.624 117.624 116.754 0.870 19327 4800 1 14 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.024 0.088 19327 4801 1 14 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.730 0.218 19327 4802 1 14 . 1 1 52 52 LEU CB C 52 41.592 41.592 41.208 0.384 19327 4803 1 14 . 1 1 52 52 LEU H H 52 8.169 8.169 8.024 0.145 19327 4804 1 14 . 1 1 53 53 ASP N N 53 120.042 120.042 118.945 1.097 19327 4805 1 14 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.411 0.011 19327 4806 1 14 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.032 -0.284 19327 4807 1 14 . 1 1 53 53 ASP CB C 53 39.840 39.840 41.169 -1.329 19327 4808 1 14 . 1 1 53 53 ASP H H 53 7.515 7.515 7.606 -0.091 19327 4809 1 14 . 1 1 54 54 ALA N N 54 123.542 123.542 122.803 0.739 19327 4810 1 14 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.057 0.153 19327 4811 1 14 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.770 0.030 19327 4812 1 14 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.491 -0.049 19327 4813 1 14 . 1 1 54 54 ALA H H 54 8.806 8.806 8.052 0.754 19327 4814 1 14 . 1 1 55 55 ARG N N 55 117.281 117.281 118.289 -1.008 19327 4815 1 14 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.910 -0.168 19327 4816 1 14 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.938 0.363 19327 4817 1 14 . 1 1 55 55 ARG CB C 55 30.267 30.267 29.893 0.374 19327 4818 1 14 . 1 1 55 55 ARG H H 55 7.869 7.869 8.065 -0.196 19327 4819 1 14 . 1 1 56 56 GLU N N 56 116.048 116.048 117.993 -1.945 19327 4820 1 14 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.061 -0.052 19327 4821 1 14 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.711 0.129 19327 4822 1 14 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.883 -0.193 19327 4823 1 14 . 1 1 56 56 GLU H H 56 7.638 7.638 7.730 -0.092 19327 4824 1 14 . 1 1 57 57 ASP N N 57 120.238 120.238 121.061 -0.823 19327 4825 1 14 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.458 -0.074 19327 4826 1 14 . 1 1 57 57 ASP CA C 57 57.474 57.474 56.887 0.587 19327 4827 1 14 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.804 1.728 19327 4828 1 14 . 1 1 57 57 ASP H H 57 8.126 8.126 7.609 0.517 19327 4829 1 14 . 1 1 58 58 LEU N N 58 117.410 117.410 119.656 -2.246 19327 4830 1 14 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.919 -0.058 19327 4831 1 14 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.998 -0.402 19327 4832 1 14 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.868 -0.254 19327 4833 1 14 . 1 1 58 58 LEU H H 58 8.172 8.172 7.941 0.231 19327 4834 1 14 . 1 1 59 59 ILE N N 59 118.841 118.841 119.784 -0.943 19327 4835 1 14 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.558 -0.255 19327 4836 1 14 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.729 0.028 19327 4837 1 14 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.576 -0.013 19327 4838 1 14 . 1 1 59 59 ILE H H 59 8.028 8.028 8.485 -0.457 19327 4839 1 14 . 1 1 60 60 LYS N N 60 119.525 119.525 120.448 -0.923 19327 4840 1 14 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.922 0.172 19327 4841 1 14 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.045 -0.292 19327 4842 1 14 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.256 -0.121 19327 4843 1 14 . 1 1 60 60 LYS H H 60 7.895 7.895 8.054 -0.159 19327 4844 1 14 . 1 1 61 61 LYS N N 61 119.257 119.257 118.536 0.721 19327 4845 1 14 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.027 -0.040 19327 4846 1 14 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.446 -0.172 19327 4847 1 14 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.353 1.191 19327 4848 1 14 . 1 1 61 61 LYS H H 61 8.086 8.086 8.002 0.084 19327 4849 1 14 . 1 1 62 62 ALA N N 62 122.326 122.326 121.381 0.945 19327 4850 1 14 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.963 -0.190 19327 4851 1 14 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.203 -0.166 19327 4852 1 14 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.412 0.690 19327 4853 1 14 . 1 1 62 62 ALA H H 62 8.489 8.489 8.094 0.395 19327 4854 1 14 . 1 1 63 63 ASP N N 63 120.381 120.381 118.853 1.528 19327 4855 1 14 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.338 0.257 19327 4856 1 14 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.384 -0.304 19327 4857 1 14 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.124 -2.095 19327 4858 1 14 . 1 1 63 63 ASP H H 63 8.855 8.855 8.205 0.650 19327 4859 1 14 . 1 1 64 64 GLU N N 64 121.428 121.428 118.819 2.609 19327 4860 1 14 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.090 -0.013 19327 4861 1 14 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.581 0.314 19327 4862 1 14 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.753 -0.629 19327 4863 1 14 . 1 1 64 64 GLU H H 64 8.053 8.053 7.878 0.175 19327 4864 1 14 . 1 1 65 65 LYS N N 65 115.778 115.778 115.255 0.523 19327 4865 1 14 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.365 -0.045 19327 4866 1 14 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.405 -0.575 19327 4867 1 14 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.668 0.351 19327 4868 1 14 . 1 1 65 65 LYS H H 65 7.186 7.186 7.750 -0.565 19327 4869 1 14 . 1 1 66 66 GLY N N 66 107.578 107.578 107.390 0.188 19327 4870 1 14 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.394 0.428 19327 4871 1 14 . 1 1 66 66 GLY H H 66 7.873 7.873 7.675 0.198 19327 4872 1 14 . 1 1 67 67 ALA N N 67 119.025 119.025 122.785 -3.760 19327 4873 1 14 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.194 -0.172 19327 4874 1 14 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.214 -0.515 19327 4875 1 14 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.380 1.830 19327 4876 1 14 . 1 1 67 67 ALA H H 67 7.927 7.927 7.961 -0.034 19327 4877 1 14 . 1 1 68 68 ASP N N 68 116.686 116.686 123.540 -6.854 19327 4878 1 14 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.629 0.442 19327 4879 1 14 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.237 -0.636 19327 4880 1 14 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.334 2.674 19327 4881 1 14 . 1 1 68 68 ASP H H 68 8.793 8.793 8.400 0.393 19327 4882 1 14 . 1 1 69 69 VAL N N 69 118.623 118.623 118.496 0.127 19327 4883 1 14 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.424 0.706 19327 4884 1 14 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.141 -0.711 19327 4885 1 14 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.267 2.336 19327 4886 1 14 . 1 1 69 69 VAL H H 69 8.076 8.076 8.132 -0.056 19327 4887 1 14 . 1 1 70 70 VAL N N 70 127.358 127.358 127.575 -0.217 19327 4888 1 14 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.123 0.437 19327 4889 1 14 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.849 -1.906 19327 4890 1 14 . 1 1 70 70 VAL CB C 70 34.433 34.433 31.972 2.461 19327 4891 1 14 . 1 1 70 70 VAL H H 70 8.724 8.724 8.689 0.035 19327 4892 1 14 . 1 1 71 71 VAL N N 71 126.739 126.739 128.846 -2.107 19327 4893 1 14 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.497 0.059 19327 4894 1 14 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.704 0.148 19327 4895 1 14 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.379 2.683 19327 4896 1 14 . 1 1 71 71 VAL H H 71 8.891 8.891 8.672 0.219 19327 4897 1 14 . 1 1 72 72 LEU N N 72 127.581 127.581 129.460 -1.879 19327 4898 1 14 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.341 0.107 19327 4899 1 14 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.258 0.462 19327 4900 1 14 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.842 1.789 19327 4901 1 14 . 1 1 72 72 LEU H H 72 8.802 8.802 8.755 0.047 19327 4902 1 14 . 1 1 73 73 THR N N 73 114.207 114.207 114.855 -0.648 19327 4903 1 14 . 1 1 73 73 THR HA H 73 4.420 4.420 4.223 0.197 19327 4904 1 14 . 1 1 73 73 THR CA C 73 61.516 61.516 62.358 -0.842 19327 4905 1 14 . 1 1 73 73 THR CB C 73 69.462 69.462 68.965 0.497 19327 4906 1 14 . 1 1 73 73 THR H H 73 8.631 8.631 8.225 0.406 19327 4907 1 14 . 1 1 74 74 SER N N 74 116.164 116.164 118.851 -2.687 19327 4908 1 14 . 1 1 74 74 SER HA H 74 4.542 4.542 4.412 0.130 19327 4909 1 14 . 1 1 74 74 SER CA C 74 58.066 58.066 59.044 -0.978 19327 4910 1 14 . 1 1 74 74 SER CB C 74 63.962 63.962 63.983 -0.021 19327 4911 1 14 . 1 1 74 74 SER H H 74 8.137 8.137 7.573 0.564 19327 4912 1 14 . 1 1 75 75 GLY N N 75 110.048 110.048 111.423 -1.375 19327 4913 1 14 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.750 -0.466 19327 4914 1 14 . 1 1 75 75 GLY H H 75 8.574 8.574 8.823 -0.249 19327 4915 1 14 . 1 1 76 76 GLN N N 76 119.520 119.520 115.710 3.810 19327 4916 1 14 . 1 1 76 76 GLN HA H 76 4.499 4.499 3.959 0.540 19327 4917 1 14 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.532 -0.563 19327 4918 1 14 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.211 2.550 19327 4919 1 14 . 1 1 76 76 GLN H H 76 8.393 8.393 7.679 0.714 19327 4920 1 14 . 1 1 77 77 THR N N 77 113.213 113.213 113.916 -0.703 19327 4921 1 14 . 1 1 77 77 THR HA H 77 4.432 4.432 4.051 0.381 19327 4922 1 14 . 1 1 77 77 THR CA C 77 61.408 61.408 63.724 -2.316 19327 4923 1 14 . 1 1 77 77 THR CB C 77 69.786 69.786 68.911 0.875 19327 4924 1 14 . 1 1 77 77 THR H H 77 8.105 8.105 7.989 0.116 19327 4925 1 14 . 1 1 78 78 GLU N N 78 120.912 120.912 118.480 2.432 19327 4926 1 14 . 1 1 78 78 GLU HA H 78 4.248 4.248 4.012 0.236 19327 4927 1 14 . 1 1 78 78 GLU CA C 78 56.990 56.990 56.963 0.027 19327 4928 1 14 . 1 1 78 78 GLU CB C 78 29.789 29.789 29.094 0.695 19327 4929 1 14 . 1 1 78 78 GLU H H 78 8.454 8.454 8.269 0.185 19327 4930 1 14 . 1 1 79 79 ASN N N 79 117.094 117.094 119.038 -1.944 19327 4931 1 14 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.676 -0.071 19327 4932 1 14 . 1 1 79 79 ASN CA C 79 53.760 53.760 53.662 0.098 19327 4933 1 14 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.561 -0.830 19327 4934 1 14 . 1 1 79 79 ASN H H 79 8.329 8.329 8.255 0.074 19327 4935 1 14 . 1 1 80 80 LYS N N 80 118.942 118.942 121.155 -2.213 19327 4936 1 14 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.535 -0.228 19327 4937 1 14 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.903 0.213 19327 4938 1 14 . 1 1 80 80 LYS CB C 80 33.378 33.378 33.202 0.176 19327 4939 1 14 . 1 1 80 80 LYS H H 80 7.910 7.910 8.009 -0.099 19327 4940 1 14 . 1 1 81 81 ILE N N 81 119.677 119.677 120.159 -0.482 19327 4941 1 14 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.364 -0.058 19327 4942 1 14 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.207 0.319 19327 4943 1 14 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.793 -0.743 19327 4944 1 14 . 1 1 81 81 ILE H H 81 8.341 8.341 8.120 0.221 19327 4945 1 14 . 1 1 82 82 HIS N N 82 121.812 121.812 120.038 1.774 19327 4946 1 14 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.709 0.067 19327 4947 1 14 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.181 -1.497 19327 4948 1 14 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.870 -1.940 19327 4949 1 14 . 1 1 82 82 HIS H H 82 8.472 8.472 8.465 0.007 19327 4950 1 14 . 1 1 83 83 GLY N N 83 111.641 111.641 109.351 2.290 19327 4951 1 14 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.001 0.123 19327 4952 1 14 . 1 1 83 83 GLY H H 83 8.334 8.334 8.460 -0.126 19327 4953 1 14 . 1 1 84 84 THR N N 84 112.460 112.460 112.350 0.110 19327 4954 1 14 . 1 1 84 84 THR HA H 84 5.037 5.037 5.208 -0.171 19327 4955 1 14 . 1 1 84 84 THR CA C 84 60.301 60.301 60.116 0.185 19327 4956 1 14 . 1 1 84 84 THR CB C 84 72.048 72.048 70.997 1.051 19327 4957 1 14 . 1 1 84 84 THR H H 84 8.125 8.125 7.785 0.340 19327 4958 1 14 . 1 1 85 85 ALA N N 85 122.513 122.513 124.838 -2.325 19327 4959 1 14 . 1 1 85 85 ALA HA H 85 4.959 4.959 4.896 0.063 19327 4960 1 14 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.254 0.016 19327 4961 1 14 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.582 1.261 19327 4962 1 14 . 1 1 85 85 ALA H H 85 8.841 8.841 8.793 0.048 19327 4963 1 14 . 1 1 86 86 ASP N N 86 121.651 121.651 125.512 -3.861 19327 4964 1 14 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.944 0.254 19327 4965 1 14 . 1 1 86 86 ASP CA C 86 53.477 53.477 55.292 -1.815 19327 4966 1 14 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.180 1.149 19327 4967 1 14 . 1 1 86 86 ASP H H 86 8.506 8.506 8.309 0.197 19327 4968 1 14 . 1 1 87 87 ILE N N 87 111.376 111.376 118.683 -7.307 19327 4969 1 14 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.056 0.323 19327 4970 1 14 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.947 -1.758 19327 4971 1 14 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.196 2.193 19327 4972 1 14 . 1 1 87 87 ILE H H 87 7.966 7.966 8.172 -0.206 19327 4973 1 14 . 1 1 88 88 TYR N N 88 118.138 118.138 125.901 -7.763 19327 4974 1 14 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.451 -0.008 19327 4975 1 14 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.174 0.843 19327 4976 1 14 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.044 1.130 19327 4977 1 14 . 1 1 88 88 TYR H H 88 8.754 8.754 8.948 -0.194 19327 4978 1 14 . 1 1 89 89 LYS N N 89 123.705 123.705 120.515 3.190 19327 4979 1 14 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.070 0.107 19327 4980 1 14 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.543 -0.077 19327 4981 1 14 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.872 1.266 19327 4982 1 14 . 1 1 89 89 LYS H H 89 9.595 9.595 8.888 0.707 19327 4983 1 14 . 1 1 90 90 LYS N N 90 129.328 129.328 124.571 4.757 19327 4984 1 14 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.133 -0.313 19327 4985 1 14 . 1 1 90 90 LYS CA C 90 57.666 57.666 55.092 2.574 19327 4986 1 14 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.279 0.548 19327 4987 1 14 . 1 1 90 90 LYS H H 90 10.195 10.195 8.614 1.581 19327 4988 1 14 . 1 1 91 91 LYS N N 91 126.034 126.034 126.851 -0.817 19327 4989 1 14 . 1 1 91 91 LYS HA H 91 4.110 4.110 3.952 0.158 19327 4990 1 14 . 1 1 91 91 LYS CA C 91 57.325 57.325 57.038 0.287 19327 4991 1 14 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.462 1.863 19327 4992 1 14 . 1 1 91 91 LYS H H 91 8.459 8.459 8.013 0.446 19327 4993 1 14 . 1 1 92 92 LEU N N 92 123.360 123.360 125.014 -1.654 19327 4994 1 14 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.175 0.110 19327 4995 1 14 . 1 1 92 92 LEU CA C 92 54.817 54.817 55.753 -0.936 19327 4996 1 14 . 1 1 92 92 LEU CB C 92 42.315 42.315 42.221 0.094 19327 4997 1 14 . 1 1 92 92 LEU H H 92 8.266 8.266 8.319 -0.053 19327 4998 1 14 . 1 1 93 93 GLU N N 93 121.993 121.993 124.222 -2.229 19327 4999 1 14 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.299 -0.075 19327 5000 1 14 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.367 0.465 19327 5001 1 14 . 1 1 93 93 GLU CB C 93 30.425 30.425 32.343 -1.918 19327 5002 1 14 . 1 1 93 93 GLU H H 93 8.311 8.311 8.287 0.024 19327 5003 1 14 . 1 1 94 94 HIS N N 94 119.802 119.802 124.673 -4.871 19327 5004 1 14 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.705 -0.069 19327 5005 1 14 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.511 -1.452 19327 5006 1 14 . 1 1 94 94 HIS CB C 94 29.131 29.131 28.221 0.910 19327 5007 1 14 . 1 1 94 94 HIS H H 94 8.567 8.567 8.630 -0.063 19327 5008 1 14 . 1 1 95 95 HIS N N 95 119.430 119.430 121.251 -1.821 19327 5009 1 14 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.515 0.122 19327 5010 1 14 . 1 1 95 95 HIS CA C 95 55.174 55.174 57.470 -2.296 19327 5011 1 14 . 1 1 95 95 HIS CB C 95 29.082 29.082 30.930 -1.848 19327 5012 1 14 . 1 1 95 95 HIS H H 95 8.600 8.600 8.195 0.405 19327 5013 1 15 . 1 1 23 23 GLU N N 23 117.829 117.829 122.647 -4.818 19327 5014 1 15 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.712 0.001 19327 5015 1 15 . 1 1 23 23 GLU C C 23 174.825 174.825 175.436 -0.611 19327 5016 1 15 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.345 0.018 19327 5017 1 15 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.900 0.740 19327 5018 1 15 . 1 1 23 23 GLU H H 23 7.921 7.921 8.399 -0.478 19327 5019 1 15 . 1 1 24 24 ILE N N 24 123.913 123.913 123.241 0.672 19327 5020 1 15 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.427 0.444 19327 5021 1 15 . 1 1 24 24 ILE C C 24 176.427 176.427 175.756 0.671 19327 5022 1 15 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.009 0.279 19327 5023 1 15 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.322 0.937 19327 5024 1 15 . 1 1 24 24 ILE H H 24 8.873 8.873 8.598 0.275 19327 5025 1 15 . 1 1 25 25 MET N N 25 127.256 127.256 126.317 0.939 19327 5026 1 15 . 1 1 25 25 MET HA H 25 4.761 4.761 4.718 0.043 19327 5027 1 15 . 1 1 25 25 MET C C 25 175.735 175.735 174.755 0.980 19327 5028 1 15 . 1 1 25 25 MET CA C 25 54.339 54.339 53.979 0.360 19327 5029 1 15 . 1 1 25 25 MET CB C 25 37.347 37.347 36.733 0.615 19327 5030 1 15 . 1 1 25 25 MET H H 25 8.727 8.727 8.785 -0.058 19327 5031 1 15 . 1 1 26 26 LYS N N 26 123.671 123.671 121.288 2.383 19327 5032 1 15 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.340 -0.025 19327 5033 1 15 . 1 1 26 26 LYS C C 26 178.259 178.259 177.514 0.745 19327 5034 1 15 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.259 0.466 19327 5035 1 15 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.541 -0.578 19327 5036 1 15 . 1 1 26 26 LYS H H 26 9.189 9.189 8.572 0.617 19327 5037 1 15 . 1 1 27 27 LYS N N 27 126.369 126.369 124.463 1.906 19327 5038 1 15 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.948 -0.084 19327 5039 1 15 . 1 1 27 27 LYS C C 27 177.241 177.241 178.429 -1.188 19327 5040 1 15 . 1 1 27 27 LYS CA C 27 60.587 60.587 60.056 0.531 19327 5041 1 15 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.073 0.286 19327 5042 1 15 . 1 1 27 27 LYS H H 27 8.871 8.871 8.795 0.076 19327 5043 1 15 . 1 1 28 28 THR N N 28 107.099 107.099 111.370 -4.271 19327 5044 1 15 . 1 1 28 28 THR HA H 28 4.135 4.135 4.140 -0.005 19327 5045 1 15 . 1 1 28 28 THR CA C 28 64.757 64.757 65.695 -0.938 19327 5046 1 15 . 1 1 28 28 THR CB C 28 68.084 68.084 68.284 -0.200 19327 5047 1 15 . 1 1 28 28 THR H H 28 8.110 8.110 8.393 -0.283 19327 5048 1 15 . 1 1 29 29 ASP N N 29 119.543 119.543 121.111 -1.568 19327 5049 1 15 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.429 0.157 19327 5050 1 15 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.319 -0.663 19327 5051 1 15 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.753 -0.026 19327 5052 1 15 . 1 1 29 29 ASP H H 29 6.779 6.779 7.647 -0.868 19327 5053 1 15 . 1 1 30 30 PHE N N 30 123.437 123.437 120.600 2.837 19327 5054 1 15 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.126 -0.190 19327 5055 1 15 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.214 0.648 19327 5056 1 15 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.530 -0.500 19327 5057 1 15 . 1 1 30 30 PHE H H 30 8.633 8.633 8.215 0.418 19327 5058 1 15 . 1 1 31 31 ASP N N 31 117.040 117.040 119.717 -2.677 19327 5059 1 15 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.140 0.010 19327 5060 1 15 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.789 -0.714 19327 5061 1 15 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.546 -0.560 19327 5062 1 15 . 1 1 31 31 ASP H H 31 8.650 8.650 8.285 0.365 19327 5063 1 15 . 1 1 32 32 LYS N N 32 114.800 114.800 116.905 -2.105 19327 5064 1 15 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.018 0.096 19327 5065 1 15 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.787 -0.400 19327 5066 1 15 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.429 0.826 19327 5067 1 15 . 1 1 32 32 LYS H H 32 6.927 6.927 8.058 -1.131 19327 5068 1 15 . 1 1 33 33 VAL N N 33 109.380 109.380 111.798 -2.418 19327 5069 1 15 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.370 0.249 19327 5070 1 15 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.254 -0.194 19327 5071 1 15 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.532 0.901 19327 5072 1 15 . 1 1 33 33 VAL H H 33 7.404 7.404 7.353 0.051 19327 5073 1 15 . 1 1 34 34 ALA N N 34 124.530 124.530 125.906 -1.376 19327 5074 1 15 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.084 -0.068 19327 5075 1 15 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.092 0.172 19327 5076 1 15 . 1 1 34 34 ALA CB C 34 19.394 19.394 17.973 1.421 19327 5077 1 15 . 1 1 34 34 ALA H H 34 6.714 6.714 7.385 -0.671 19327 5078 1 15 . 1 1 35 35 SER N N 35 110.547 110.547 112.936 -2.389 19327 5079 1 15 . 1 1 35 35 SER HA H 35 4.324 4.324 4.161 0.163 19327 5080 1 15 . 1 1 35 35 SER CA C 35 60.456 60.456 61.788 -1.332 19327 5081 1 15 . 1 1 35 35 SER CB C 35 62.536 62.536 62.799 -0.263 19327 5082 1 15 . 1 1 35 35 SER H H 35 8.121 8.121 8.418 -0.297 19327 5083 1 15 . 1 1 36 36 GLU N N 36 119.216 119.216 119.900 -0.684 19327 5084 1 15 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.198 0.075 19327 5085 1 15 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.497 -0.710 19327 5086 1 15 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.626 -0.541 19327 5087 1 15 . 1 1 36 36 GLU H H 36 8.305 8.305 7.803 0.502 19327 5088 1 15 . 1 1 37 37 TYR N N 37 117.179 117.179 118.260 -1.081 19327 5089 1 15 . 1 1 37 37 TYR HA H 37 5.150 5.150 4.996 0.154 19327 5090 1 15 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.286 0.670 19327 5091 1 15 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.712 1.528 19327 5092 1 15 . 1 1 37 37 TYR H H 37 7.922 7.922 7.842 0.080 19327 5093 1 15 . 1 1 38 38 THR N N 38 115.546 115.546 117.013 -1.467 19327 5094 1 15 . 1 1 38 38 THR HA H 38 4.843 4.843 4.822 0.021 19327 5095 1 15 . 1 1 38 38 THR CA C 38 60.454 60.454 61.375 -0.921 19327 5096 1 15 . 1 1 38 38 THR CB C 38 71.300 71.300 70.787 0.513 19327 5097 1 15 . 1 1 38 38 THR H H 38 9.483 9.483 8.852 0.631 19327 5098 1 15 . 1 1 39 39 LYS N N 39 130.415 130.415 129.903 0.512 19327 5099 1 15 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.719 0.164 19327 5100 1 15 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.780 0.835 19327 5101 1 15 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.131 0.459 19327 5102 1 15 . 1 1 39 39 LYS H H 39 9.290 9.290 8.773 0.517 19327 5103 1 15 . 1 1 40 40 ILE N N 40 122.004 122.004 121.465 0.539 19327 5104 1 15 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.460 0.098 19327 5105 1 15 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.043 1.009 19327 5106 1 15 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.382 0.975 19327 5107 1 15 . 1 1 40 40 ILE H H 40 8.819 8.819 8.333 0.486 19327 5108 1 15 . 1 1 41 41 GLY N N 41 107.582 107.582 107.779 -0.197 19327 5109 1 15 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.019 0.187 19327 5110 1 15 . 1 1 41 41 GLY H H 41 7.136 7.136 7.258 -0.122 19327 5111 1 15 . 1 1 42 42 THR N N 42 115.052 115.052 115.442 -0.390 19327 5112 1 15 . 1 1 42 42 THR HA H 42 5.237 5.237 4.953 0.284 19327 5113 1 15 . 1 1 42 42 THR CA C 42 60.959 60.959 61.356 -0.397 19327 5114 1 15 . 1 1 42 42 THR CB C 42 72.255 72.255 70.459 1.796 19327 5115 1 15 . 1 1 42 42 THR H H 42 8.218 8.218 8.198 0.020 19327 5116 1 15 . 1 1 43 43 ILE N N 43 118.029 118.029 120.938 -2.909 19327 5117 1 15 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.697 0.090 19327 5118 1 15 . 1 1 43 43 ILE CA C 43 59.552 59.552 58.889 0.663 19327 5119 1 15 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.653 2.048 19327 5120 1 15 . 1 1 43 43 ILE H H 43 9.129 9.129 8.851 0.278 19327 5121 1 15 . 1 1 44 44 SER N N 44 113.484 113.484 116.192 -2.708 19327 5122 1 15 . 1 1 44 44 SER HA H 44 5.252 5.252 5.039 0.213 19327 5123 1 15 . 1 1 44 44 SER CA C 44 56.792 56.792 56.556 0.236 19327 5124 1 15 . 1 1 44 44 SER CB C 44 66.063 66.063 65.234 0.829 19327 5125 1 15 . 1 1 44 44 SER H H 44 8.335 8.335 8.254 0.081 19327 5126 1 15 . 1 1 45 45 THR N N 45 113.454 113.454 116.833 -3.379 19327 5127 1 15 . 1 1 45 45 THR HA H 45 4.555 4.555 4.614 -0.059 19327 5128 1 15 . 1 1 45 45 THR CA C 45 60.871 60.871 61.823 -0.952 19327 5129 1 15 . 1 1 45 45 THR CB C 45 70.060 70.060 69.743 0.317 19327 5130 1 15 . 1 1 45 45 THR H H 45 8.375 8.375 8.573 -0.198 19327 5131 1 15 . 1 1 46 46 THR N N 46 117.848 117.848 120.734 -2.886 19327 5132 1 15 . 1 1 46 46 THR HA H 46 4.401 4.401 4.188 0.213 19327 5133 1 15 . 1 1 46 46 THR CA C 46 62.097 62.097 63.520 -1.423 19327 5134 1 15 . 1 1 46 46 THR CB C 46 69.387 69.387 67.650 1.737 19327 5135 1 15 . 1 1 46 46 THR H H 46 8.542 8.542 8.595 -0.053 19327 5136 1 15 . 1 1 47 47 GLY N N 47 111.660 111.660 115.542 -3.882 19327 5137 1 15 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.253 0.630 19327 5138 1 15 . 1 1 47 47 GLY H H 47 8.325 8.325 7.684 0.641 19327 5139 1 15 . 1 1 48 48 GLU N N 48 120.153 120.153 120.219 -0.066 19327 5140 1 15 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.413 -0.017 19327 5141 1 15 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.205 -0.501 19327 5142 1 15 . 1 1 48 48 GLU CB C 48 29.594 29.594 30.336 -0.742 19327 5143 1 15 . 1 1 48 48 GLU H H 48 8.437 8.437 8.278 0.159 19327 5144 1 15 . 1 1 49 49 MET N N 49 120.146 120.146 121.576 -1.430 19327 5145 1 15 . 1 1 49 49 MET HA H 49 4.696 4.696 4.802 -0.106 19327 5146 1 15 . 1 1 49 49 MET CA C 49 55.028 55.028 53.854 1.174 19327 5147 1 15 . 1 1 49 49 MET CB C 49 36.079 36.079 35.965 0.113 19327 5148 1 15 . 1 1 49 49 MET H H 49 8.390 8.390 7.996 0.394 19327 5149 1 15 . 1 1 50 50 SER N N 50 118.105 118.105 116.623 1.482 19327 5150 1 15 . 1 1 50 50 SER HA H 50 4.780 4.780 4.567 0.213 19327 5151 1 15 . 1 1 50 50 SER CA C 50 56.822 56.822 57.707 -0.885 19327 5152 1 15 . 1 1 50 50 SER CB C 50 62.631 62.631 63.235 -0.604 19327 5153 1 15 . 1 1 50 50 SER H H 50 9.023 9.023 8.749 0.274 19327 5154 1 15 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.247 -0.006 19327 5155 1 15 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.467 0.611 19327 5156 1 15 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.853 0.154 19327 5157 1 15 . 1 1 52 52 LEU N N 52 117.624 117.624 117.146 0.478 19327 5158 1 15 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.139 -0.027 19327 5159 1 15 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.724 0.224 19327 5160 1 15 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.575 1.017 19327 5161 1 15 . 1 1 52 52 LEU H H 52 8.169 8.169 8.035 0.134 19327 5162 1 15 . 1 1 53 53 ASP N N 53 120.042 120.042 119.635 0.407 19327 5163 1 15 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.408 0.014 19327 5164 1 15 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.072 -0.324 19327 5165 1 15 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.922 -1.081 19327 5166 1 15 . 1 1 53 53 ASP H H 53 7.515 7.515 7.694 -0.179 19327 5167 1 15 . 1 1 54 54 ALA N N 54 123.542 123.542 123.084 0.458 19327 5168 1 15 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.052 0.158 19327 5169 1 15 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.857 -0.057 19327 5170 1 15 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.485 -0.043 19327 5171 1 15 . 1 1 54 54 ALA H H 54 8.806 8.806 8.087 0.719 19327 5172 1 15 . 1 1 55 55 ARG N N 55 117.281 117.281 118.635 -1.354 19327 5173 1 15 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.900 -0.158 19327 5174 1 15 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.855 0.446 19327 5175 1 15 . 1 1 55 55 ARG CB C 55 30.267 30.267 29.992 0.275 19327 5176 1 15 . 1 1 55 55 ARG H H 55 7.869 7.869 7.913 -0.044 19327 5177 1 15 . 1 1 56 56 GLU N N 56 116.048 116.048 118.218 -2.170 19327 5178 1 15 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.022 -0.013 19327 5179 1 15 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.750 0.090 19327 5180 1 15 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.904 -0.214 19327 5181 1 15 . 1 1 56 56 GLU H H 56 7.638 7.638 7.707 -0.069 19327 5182 1 15 . 1 1 57 57 ASP N N 57 120.238 120.238 120.729 -0.491 19327 5183 1 15 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.368 0.016 19327 5184 1 15 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.348 0.126 19327 5185 1 15 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.666 1.866 19327 5186 1 15 . 1 1 57 57 ASP H H 57 8.126 8.126 7.755 0.371 19327 5187 1 15 . 1 1 58 58 LEU N N 58 117.410 117.410 119.290 -1.880 19327 5188 1 15 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.994 -0.133 19327 5189 1 15 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.695 -0.099 19327 5190 1 15 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.949 -0.335 19327 5191 1 15 . 1 1 58 58 LEU H H 58 8.172 8.172 7.879 0.293 19327 5192 1 15 . 1 1 59 59 ILE N N 59 118.841 118.841 120.295 -1.454 19327 5193 1 15 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.525 -0.222 19327 5194 1 15 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.704 0.053 19327 5195 1 15 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.507 0.056 19327 5196 1 15 . 1 1 59 59 ILE H H 59 8.028 8.028 8.181 -0.152 19327 5197 1 15 . 1 1 60 60 LYS N N 60 119.525 119.525 120.367 -0.842 19327 5198 1 15 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.888 0.206 19327 5199 1 15 . 1 1 60 60 LYS CA C 60 59.753 59.753 59.998 -0.245 19327 5200 1 15 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.341 -0.206 19327 5201 1 15 . 1 1 60 60 LYS H H 60 7.895 7.895 8.057 -0.162 19327 5202 1 15 . 1 1 61 61 LYS N N 61 119.257 119.257 118.446 0.811 19327 5203 1 15 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.008 -0.021 19327 5204 1 15 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.554 -0.280 19327 5205 1 15 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.375 1.169 19327 5206 1 15 . 1 1 61 61 LYS H H 61 8.086 8.086 7.995 0.091 19327 5207 1 15 . 1 1 62 62 ALA N N 62 122.326 122.326 120.863 1.463 19327 5208 1 15 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.975 -0.202 19327 5209 1 15 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.020 0.016 19327 5210 1 15 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.307 0.795 19327 5211 1 15 . 1 1 62 62 ALA H H 62 8.489 8.489 8.039 0.450 19327 5212 1 15 . 1 1 63 63 ASP N N 63 120.381 120.381 119.641 0.740 19327 5213 1 15 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.420 0.175 19327 5214 1 15 . 1 1 63 63 ASP CA C 63 57.080 57.080 56.917 0.163 19327 5215 1 15 . 1 1 63 63 ASP CB C 63 39.029 39.029 40.935 -1.907 19327 5216 1 15 . 1 1 63 63 ASP H H 63 8.855 8.855 8.129 0.726 19327 5217 1 15 . 1 1 64 64 GLU N N 64 121.428 121.428 120.323 1.105 19327 5218 1 15 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.091 -0.014 19327 5219 1 15 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.725 0.170 19327 5220 1 15 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.565 -0.441 19327 5221 1 15 . 1 1 64 64 GLU H H 64 8.053 8.053 7.988 0.065 19327 5222 1 15 . 1 1 65 65 LYS N N 65 115.778 115.778 115.223 0.555 19327 5223 1 15 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.360 -0.040 19327 5224 1 15 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.612 -0.782 19327 5225 1 15 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.541 0.478 19327 5226 1 15 . 1 1 65 65 LYS H H 65 7.186 7.186 7.748 -0.562 19327 5227 1 15 . 1 1 66 66 GLY N N 66 107.578 107.578 108.409 -0.831 19327 5228 1 15 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.591 0.231 19327 5229 1 15 . 1 1 66 66 GLY H H 66 7.873 7.873 7.630 0.243 19327 5230 1 15 . 1 1 67 67 ALA N N 67 119.025 119.025 121.484 -2.459 19327 5231 1 15 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.457 -0.435 19327 5232 1 15 . 1 1 67 67 ALA CA C 67 51.699 51.699 51.096 0.603 19327 5233 1 15 . 1 1 67 67 ALA CB C 67 21.210 21.210 21.002 0.208 19327 5234 1 15 . 1 1 67 67 ALA H H 67 7.927 7.927 8.063 -0.136 19327 5235 1 15 . 1 1 68 68 ASP N N 68 116.686 116.686 121.653 -4.967 19327 5236 1 15 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.724 0.347 19327 5237 1 15 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.138 -0.537 19327 5238 1 15 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.857 2.151 19327 5239 1 15 . 1 1 68 68 ASP H H 68 8.793 8.793 8.424 0.369 19327 5240 1 15 . 1 1 69 69 VAL N N 69 118.623 118.623 118.725 -0.102 19327 5241 1 15 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.518 0.612 19327 5242 1 15 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.212 -0.782 19327 5243 1 15 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.961 2.642 19327 5244 1 15 . 1 1 69 69 VAL H H 69 8.076 8.076 8.076 -0.000 19327 5245 1 15 . 1 1 70 70 VAL N N 70 127.358 127.358 126.882 0.476 19327 5246 1 15 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.233 0.327 19327 5247 1 15 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.480 -1.537 19327 5248 1 15 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.220 2.213 19327 5249 1 15 . 1 1 70 70 VAL H H 70 8.724 8.724 8.946 -0.222 19327 5250 1 15 . 1 1 71 71 VAL N N 71 126.739 126.739 128.209 -1.470 19327 5251 1 15 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.477 0.079 19327 5252 1 15 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.098 0.754 19327 5253 1 15 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.221 2.841 19327 5254 1 15 . 1 1 71 71 VAL H H 71 8.891 8.891 8.848 0.043 19327 5255 1 15 . 1 1 72 72 LEU N N 72 127.581 127.581 130.066 -2.485 19327 5256 1 15 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.162 0.286 19327 5257 1 15 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.941 -0.221 19327 5258 1 15 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.699 1.932 19327 5259 1 15 . 1 1 72 72 LEU H H 72 8.802 8.802 8.476 0.326 19327 5260 1 15 . 1 1 73 73 THR N N 73 114.207 114.207 120.791 -6.584 19327 5261 1 15 . 1 1 73 73 THR HA H 73 4.420 4.420 4.228 0.192 19327 5262 1 15 . 1 1 73 73 THR CA C 73 61.516 61.516 65.206 -3.690 19327 5263 1 15 . 1 1 73 73 THR CB C 73 69.462 69.462 69.162 0.300 19327 5264 1 15 . 1 1 73 73 THR H H 73 8.631 8.631 8.326 0.305 19327 5265 1 15 . 1 1 74 74 SER N N 74 116.164 116.164 115.429 0.735 19327 5266 1 15 . 1 1 74 74 SER HA H 74 4.542 4.542 4.382 0.160 19327 5267 1 15 . 1 1 74 74 SER CA C 74 58.066 58.066 59.571 -1.505 19327 5268 1 15 . 1 1 74 74 SER CB C 74 63.962 63.962 63.690 0.272 19327 5269 1 15 . 1 1 74 74 SER H H 74 8.137 8.137 7.907 0.230 19327 5270 1 15 . 1 1 75 75 GLY N N 75 110.048 110.048 111.009 -0.961 19327 5271 1 15 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.051 0.233 19327 5272 1 15 . 1 1 75 75 GLY H H 75 8.574 8.574 8.209 0.365 19327 5273 1 15 . 1 1 76 76 GLN N N 76 119.520 119.520 119.400 0.120 19327 5274 1 15 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.404 0.095 19327 5275 1 15 . 1 1 76 76 GLN CA C 76 55.969 55.969 54.886 1.083 19327 5276 1 15 . 1 1 76 76 GLN CB C 76 29.761 29.761 31.352 -1.591 19327 5277 1 15 . 1 1 76 76 GLN H H 76 8.393 8.393 8.195 0.198 19327 5278 1 15 . 1 1 77 77 THR N N 77 113.213 113.213 112.812 0.401 19327 5279 1 15 . 1 1 77 77 THR HA H 77 4.432 4.432 4.117 0.315 19327 5280 1 15 . 1 1 77 77 THR CA C 77 61.408 61.408 63.102 -1.694 19327 5281 1 15 . 1 1 77 77 THR CB C 77 69.786 69.786 69.228 0.558 19327 5282 1 15 . 1 1 77 77 THR H H 77 8.105 8.105 8.438 -0.333 19327 5283 1 15 . 1 1 78 78 GLU N N 78 120.912 120.912 124.545 -3.633 19327 5284 1 15 . 1 1 78 78 GLU HA H 78 4.248 4.248 4.092 0.156 19327 5285 1 15 . 1 1 78 78 GLU CA C 78 56.990 56.990 57.251 -0.261 19327 5286 1 15 . 1 1 78 78 GLU CB C 78 29.789 29.789 29.058 0.731 19327 5287 1 15 . 1 1 78 78 GLU H H 78 8.454 8.454 8.733 -0.279 19327 5288 1 15 . 1 1 79 79 ASN N N 79 117.094 117.094 121.363 -4.269 19327 5289 1 15 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.717 -0.112 19327 5290 1 15 . 1 1 79 79 ASN CA C 79 53.760 53.760 52.507 1.253 19327 5291 1 15 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.760 -0.029 19327 5292 1 15 . 1 1 79 79 ASN H H 79 8.329 8.329 8.111 0.218 19327 5293 1 15 . 1 1 80 80 LYS N N 80 118.942 118.942 119.570 -0.628 19327 5294 1 15 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.001 0.306 19327 5295 1 15 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.999 -0.883 19327 5296 1 15 . 1 1 80 80 LYS CB C 80 33.378 33.378 31.408 1.970 19327 5297 1 15 . 1 1 80 80 LYS H H 80 7.910 7.910 8.058 -0.148 19327 5298 1 15 . 1 1 81 81 ILE N N 81 119.677 119.677 115.120 4.557 19327 5299 1 15 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.461 -0.155 19327 5300 1 15 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.904 0.622 19327 5301 1 15 . 1 1 81 81 ILE CB C 81 40.050 40.050 39.188 0.862 19327 5302 1 15 . 1 1 81 81 ILE H H 81 8.341 8.341 7.753 0.588 19327 5303 1 15 . 1 1 82 82 HIS N N 82 121.812 121.812 123.375 -1.563 19327 5304 1 15 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.540 0.236 19327 5305 1 15 . 1 1 82 82 HIS CA C 82 54.684 54.684 57.165 -2.481 19327 5306 1 15 . 1 1 82 82 HIS CB C 82 28.930 28.930 31.681 -2.752 19327 5307 1 15 . 1 1 82 82 HIS H H 82 8.472 8.472 8.628 -0.156 19327 5308 1 15 . 1 1 83 83 GLY N N 83 111.641 111.641 106.660 4.981 19327 5309 1 15 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.811 0.313 19327 5310 1 15 . 1 1 83 83 GLY H H 83 8.334 8.334 7.761 0.573 19327 5311 1 15 . 1 1 84 84 THR N N 84 112.460 112.460 117.906 -5.446 19327 5312 1 15 . 1 1 84 84 THR HA H 84 5.037 5.037 4.826 0.211 19327 5313 1 15 . 1 1 84 84 THR CA C 84 60.301 60.301 62.042 -1.741 19327 5314 1 15 . 1 1 84 84 THR CB C 84 72.048 72.048 70.409 1.639 19327 5315 1 15 . 1 1 84 84 THR H H 84 8.125 8.125 8.002 0.123 19327 5316 1 15 . 1 1 85 85 ALA N N 85 122.513 122.513 128.087 -5.574 19327 5317 1 15 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.070 -0.111 19327 5318 1 15 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.708 0.562 19327 5319 1 15 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.722 1.121 19327 5320 1 15 . 1 1 85 85 ALA H H 85 8.841 8.841 9.005 -0.164 19327 5321 1 15 . 1 1 86 86 ASP N N 86 121.651 121.651 124.372 -2.721 19327 5322 1 15 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.854 0.344 19327 5323 1 15 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.651 -1.174 19327 5324 1 15 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.038 1.292 19327 5325 1 15 . 1 1 86 86 ASP H H 86 8.506 8.506 8.331 0.175 19327 5326 1 15 . 1 1 87 87 ILE N N 87 111.376 111.376 117.841 -6.465 19327 5327 1 15 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.929 0.450 19327 5328 1 15 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.945 -1.756 19327 5329 1 15 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.180 2.209 19327 5330 1 15 . 1 1 87 87 ILE H H 87 7.966 7.966 8.258 -0.292 19327 5331 1 15 . 1 1 88 88 TYR N N 88 118.138 118.138 126.153 -8.015 19327 5332 1 15 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.020 0.423 19327 5333 1 15 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.779 0.238 19327 5334 1 15 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.382 1.792 19327 5335 1 15 . 1 1 88 88 TYR H H 88 8.754 8.754 8.951 -0.197 19327 5336 1 15 . 1 1 89 89 LYS N N 89 123.705 123.705 123.451 0.254 19327 5337 1 15 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.153 0.024 19327 5338 1 15 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.709 0.756 19327 5339 1 15 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.259 1.879 19327 5340 1 15 . 1 1 89 89 LYS H H 89 9.595 9.595 8.854 0.741 19327 5341 1 15 . 1 1 90 90 LYS N N 90 129.328 129.328 128.190 1.138 19327 5342 1 15 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.180 -0.360 19327 5343 1 15 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.735 0.931 19327 5344 1 15 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.984 -0.158 19327 5345 1 15 . 1 1 90 90 LYS H H 90 10.195 10.195 8.764 1.431 19327 5346 1 15 . 1 1 91 91 LYS N N 91 126.034 126.034 125.829 0.205 19327 5347 1 15 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.135 -0.025 19327 5348 1 15 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.735 0.590 19327 5349 1 15 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.959 0.366 19327 5350 1 15 . 1 1 91 91 LYS H H 91 8.459 8.459 8.195 0.264 19327 5351 1 15 . 1 1 92 92 LEU N N 92 123.360 123.360 124.312 -0.952 19327 5352 1 15 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.398 -0.113 19327 5353 1 15 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.114 0.703 19327 5354 1 15 . 1 1 92 92 LEU CB C 92 42.315 42.315 41.397 0.918 19327 5355 1 15 . 1 1 92 92 LEU H H 92 8.266 8.266 8.385 -0.119 19327 5356 1 15 . 1 1 93 93 GLU N N 93 121.993 121.993 121.431 0.562 19327 5357 1 15 . 1 1 93 93 GLU HA H 93 4.224 4.224 3.914 0.310 19327 5358 1 15 . 1 1 93 93 GLU CA C 93 55.832 55.832 56.786 -0.954 19327 5359 1 15 . 1 1 93 93 GLU CB C 93 30.425 30.425 29.346 1.079 19327 5360 1 15 . 1 1 93 93 GLU H H 93 8.311 8.311 8.674 -0.363 19327 5361 1 15 . 1 1 94 94 HIS N N 94 119.802 119.802 124.291 -4.489 19327 5362 1 15 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.545 0.091 19327 5363 1 15 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.123 -1.064 19327 5364 1 15 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.695 -0.564 19327 5365 1 15 . 1 1 94 94 HIS H H 94 8.567 8.567 8.352 0.215 19327 5366 1 15 . 1 1 95 95 HIS N N 95 119.430 119.430 124.367 -4.937 19327 5367 1 15 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.400 0.237 19327 5368 1 15 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.078 -0.904 19327 5369 1 15 . 1 1 95 95 HIS CB C 95 29.082 29.082 30.837 -1.755 19327 5370 1 15 . 1 1 95 95 HIS H H 95 8.600 8.600 8.494 0.106 19327 5371 1 16 . 1 1 23 23 GLU N N 23 117.829 117.829 121.669 -3.840 19327 5372 1 16 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.614 0.099 19327 5373 1 16 . 1 1 23 23 GLU C C 23 174.825 174.825 175.696 -0.871 19327 5374 1 16 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.761 -0.399 19327 5375 1 16 . 1 1 23 23 GLU CB C 23 32.640 32.640 30.906 1.734 19327 5376 1 16 . 1 1 23 23 GLU H H 23 7.921 7.921 8.250 -0.329 19327 5377 1 16 . 1 1 24 24 ILE N N 24 123.913 123.913 125.380 -1.467 19327 5378 1 16 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.352 0.519 19327 5379 1 16 . 1 1 24 24 ILE C C 24 176.427 176.427 176.024 0.403 19327 5380 1 16 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.304 -0.016 19327 5381 1 16 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.890 1.368 19327 5382 1 16 . 1 1 24 24 ILE H H 24 8.873 8.873 8.743 0.130 19327 5383 1 16 . 1 1 25 25 MET N N 25 127.256 127.256 126.992 0.264 19327 5384 1 16 . 1 1 25 25 MET HA H 25 4.761 4.761 4.811 -0.050 19327 5385 1 16 . 1 1 25 25 MET C C 25 175.735 175.735 174.990 0.745 19327 5386 1 16 . 1 1 25 25 MET CA C 25 54.339 54.339 54.099 0.240 19327 5387 1 16 . 1 1 25 25 MET CB C 25 37.347 37.347 36.870 0.477 19327 5388 1 16 . 1 1 25 25 MET H H 25 8.727 8.727 8.799 -0.072 19327 5389 1 16 . 1 1 26 26 LYS N N 26 123.671 123.671 121.489 2.182 19327 5390 1 16 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.295 0.020 19327 5391 1 16 . 1 1 26 26 LYS C C 26 178.259 178.259 177.499 0.760 19327 5392 1 16 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.143 0.582 19327 5393 1 16 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.356 -0.393 19327 5394 1 16 . 1 1 26 26 LYS H H 26 9.189 9.189 8.663 0.526 19327 5395 1 16 . 1 1 27 27 LYS N N 27 126.369 126.369 121.574 4.795 19327 5396 1 16 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.986 -0.122 19327 5397 1 16 . 1 1 27 27 LYS C C 27 177.241 177.241 178.560 -1.319 19327 5398 1 16 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.890 0.697 19327 5399 1 16 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.060 0.299 19327 5400 1 16 . 1 1 27 27 LYS H H 27 8.871 8.871 8.383 0.488 19327 5401 1 16 . 1 1 28 28 THR N N 28 107.099 107.099 111.817 -4.718 19327 5402 1 16 . 1 1 28 28 THR HA H 28 4.135 4.135 4.140 -0.005 19327 5403 1 16 . 1 1 28 28 THR CA C 28 64.757 64.757 65.628 -0.871 19327 5404 1 16 . 1 1 28 28 THR CB C 28 68.084 68.084 68.606 -0.522 19327 5405 1 16 . 1 1 28 28 THR H H 28 8.110 8.110 8.421 -0.311 19327 5406 1 16 . 1 1 29 29 ASP N N 29 119.543 119.543 121.624 -2.081 19327 5407 1 16 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.431 0.155 19327 5408 1 16 . 1 1 29 29 ASP CA C 29 56.656 56.656 57.662 -1.006 19327 5409 1 16 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.742 -0.014 19327 5410 1 16 . 1 1 29 29 ASP H H 29 6.779 6.779 7.691 -0.912 19327 5411 1 16 . 1 1 30 30 PHE N N 30 123.437 123.437 120.312 3.125 19327 5412 1 16 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.151 -0.215 19327 5413 1 16 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.207 0.655 19327 5414 1 16 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.703 -0.673 19327 5415 1 16 . 1 1 30 30 PHE H H 30 8.633 8.633 8.202 0.431 19327 5416 1 16 . 1 1 31 31 ASP N N 31 117.040 117.040 119.595 -2.555 19327 5417 1 16 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.161 -0.011 19327 5418 1 16 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.756 -0.681 19327 5419 1 16 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.491 -0.505 19327 5420 1 16 . 1 1 31 31 ASP H H 31 8.650 8.650 8.388 0.262 19327 5421 1 16 . 1 1 32 32 LYS N N 32 114.800 114.800 117.351 -2.551 19327 5422 1 16 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.057 0.057 19327 5423 1 16 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.519 -0.132 19327 5424 1 16 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.516 0.739 19327 5425 1 16 . 1 1 32 32 LYS H H 32 6.927 6.927 7.850 -0.923 19327 5426 1 16 . 1 1 33 33 VAL N N 33 109.380 109.380 110.835 -1.455 19327 5427 1 16 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.424 0.195 19327 5428 1 16 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.130 -0.070 19327 5429 1 16 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.555 0.879 19327 5430 1 16 . 1 1 33 33 VAL H H 33 7.404 7.404 7.458 -0.054 19327 5431 1 16 . 1 1 34 34 ALA N N 34 124.530 124.530 126.271 -1.741 19327 5432 1 16 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.189 -0.173 19327 5433 1 16 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.113 0.151 19327 5434 1 16 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.282 1.112 19327 5435 1 16 . 1 1 34 34 ALA H H 34 6.714 6.714 7.511 -0.797 19327 5436 1 16 . 1 1 35 35 SER N N 35 110.547 110.547 112.073 -1.526 19327 5437 1 16 . 1 1 35 35 SER HA H 35 4.324 4.324 4.287 0.036 19327 5438 1 16 . 1 1 35 35 SER CA C 35 60.456 60.456 60.398 0.058 19327 5439 1 16 . 1 1 35 35 SER CB C 35 62.536 62.536 62.938 -0.402 19327 5440 1 16 . 1 1 35 35 SER H H 35 8.121 8.121 8.423 -0.302 19327 5441 1 16 . 1 1 36 36 GLU N N 36 119.216 119.216 118.862 0.354 19327 5442 1 16 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.384 -0.111 19327 5443 1 16 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.182 -0.396 19327 5444 1 16 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.968 -0.883 19327 5445 1 16 . 1 1 36 36 GLU H H 36 8.305 8.305 7.682 0.623 19327 5446 1 16 . 1 1 37 37 TYR N N 37 117.179 117.179 118.459 -1.280 19327 5447 1 16 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.389 -0.239 19327 5448 1 16 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.053 0.903 19327 5449 1 16 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.824 1.416 19327 5450 1 16 . 1 1 37 37 TYR H H 37 7.922 7.922 7.891 0.031 19327 5451 1 16 . 1 1 38 38 THR N N 38 115.546 115.546 115.790 -0.244 19327 5452 1 16 . 1 1 38 38 THR HA H 38 4.843 4.843 4.826 0.017 19327 5453 1 16 . 1 1 38 38 THR CA C 38 60.454 60.454 60.033 0.421 19327 5454 1 16 . 1 1 38 38 THR CB C 38 71.300 71.300 70.639 0.661 19327 5455 1 16 . 1 1 38 38 THR H H 38 9.483 9.483 9.117 0.366 19327 5456 1 16 . 1 1 39 39 LYS N N 39 130.415 130.415 130.492 -0.077 19327 5457 1 16 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.458 0.425 19327 5458 1 16 . 1 1 39 39 LYS CA C 39 57.615 57.615 55.962 1.653 19327 5459 1 16 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.212 1.378 19327 5460 1 16 . 1 1 39 39 LYS H H 39 9.290 9.290 8.852 0.438 19327 5461 1 16 . 1 1 40 40 ILE N N 40 122.004 122.004 122.063 -0.059 19327 5462 1 16 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.366 0.192 19327 5463 1 16 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.479 0.573 19327 5464 1 16 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.740 0.617 19327 5465 1 16 . 1 1 40 40 ILE H H 40 8.819 8.819 8.360 0.460 19327 5466 1 16 . 1 1 41 41 GLY N N 41 107.582 107.582 108.161 -0.579 19327 5467 1 16 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.410 -0.204 19327 5468 1 16 . 1 1 41 41 GLY H H 41 7.136 7.136 7.280 -0.144 19327 5469 1 16 . 1 1 42 42 THR N N 42 115.052 115.052 115.230 -0.178 19327 5470 1 16 . 1 1 42 42 THR HA H 42 5.237 5.237 4.962 0.275 19327 5471 1 16 . 1 1 42 42 THR CA C 42 60.959 60.959 61.602 -0.643 19327 5472 1 16 . 1 1 42 42 THR CB C 42 72.255 72.255 70.796 1.459 19327 5473 1 16 . 1 1 42 42 THR H H 42 8.218 8.218 8.231 -0.013 19327 5474 1 16 . 1 1 43 43 ILE N N 43 118.029 118.029 121.896 -3.867 19327 5475 1 16 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.867 -0.080 19327 5476 1 16 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.121 0.431 19327 5477 1 16 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.560 1.141 19327 5478 1 16 . 1 1 43 43 ILE H H 43 9.129 9.129 8.853 0.276 19327 5479 1 16 . 1 1 44 44 SER N N 44 113.484 113.484 115.864 -2.380 19327 5480 1 16 . 1 1 44 44 SER HA H 44 5.252 5.252 5.520 -0.268 19327 5481 1 16 . 1 1 44 44 SER CA C 44 56.792 56.792 56.775 0.017 19327 5482 1 16 . 1 1 44 44 SER CB C 44 66.063 66.063 66.458 -0.395 19327 5483 1 16 . 1 1 44 44 SER H H 44 8.335 8.335 8.294 0.041 19327 5484 1 16 . 1 1 45 45 THR N N 45 113.454 113.454 112.919 0.535 19327 5485 1 16 . 1 1 45 45 THR HA H 45 4.555 4.555 4.784 -0.229 19327 5486 1 16 . 1 1 45 45 THR CA C 45 60.871 60.871 61.001 -0.130 19327 5487 1 16 . 1 1 45 45 THR CB C 45 70.060 70.060 70.184 -0.124 19327 5488 1 16 . 1 1 45 45 THR H H 45 8.375 8.375 8.123 0.252 19327 5489 1 16 . 1 1 46 46 THR N N 46 117.848 117.848 112.621 5.227 19327 5490 1 16 . 1 1 46 46 THR HA H 46 4.401 4.401 4.036 0.365 19327 5491 1 16 . 1 1 46 46 THR CA C 46 62.097 62.097 63.972 -1.875 19327 5492 1 16 . 1 1 46 46 THR CB C 46 69.387 69.387 68.956 0.431 19327 5493 1 16 . 1 1 46 46 THR H H 46 8.542 8.542 8.605 -0.063 19327 5494 1 16 . 1 1 47 47 GLY N N 47 111.660 111.660 108.012 3.648 19327 5495 1 16 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.615 0.268 19327 5496 1 16 . 1 1 47 47 GLY H H 47 8.325 8.325 7.378 0.947 19327 5497 1 16 . 1 1 48 48 GLU N N 48 120.153 120.153 122.405 -2.252 19327 5498 1 16 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.441 -0.045 19327 5499 1 16 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.688 -0.984 19327 5500 1 16 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.086 0.508 19327 5501 1 16 . 1 1 48 48 GLU H H 48 8.437 8.437 8.534 -0.097 19327 5502 1 16 . 1 1 49 49 MET N N 49 120.146 120.146 121.993 -1.847 19327 5503 1 16 . 1 1 49 49 MET HA H 49 4.696 4.696 4.719 -0.023 19327 5504 1 16 . 1 1 49 49 MET CA C 49 55.028 55.028 53.409 1.619 19327 5505 1 16 . 1 1 49 49 MET CB C 49 36.079 36.079 34.063 2.015 19327 5506 1 16 . 1 1 49 49 MET H H 49 8.390 8.390 7.767 0.623 19327 5507 1 16 . 1 1 50 50 SER N N 50 118.105 118.105 116.456 1.649 19327 5508 1 16 . 1 1 50 50 SER HA H 50 4.780 4.780 4.611 0.169 19327 5509 1 16 . 1 1 50 50 SER CA C 50 56.822 56.822 56.892 -0.070 19327 5510 1 16 . 1 1 50 50 SER CB C 50 62.631 62.631 62.165 0.466 19327 5511 1 16 . 1 1 50 50 SER H H 50 9.023 9.023 8.721 0.302 19327 5512 1 16 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.266 -0.025 19327 5513 1 16 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.647 0.431 19327 5514 1 16 . 1 1 51 51 PRO CB C 51 32.007 32.007 32.030 -0.023 19327 5515 1 16 . 1 1 52 52 LEU N N 52 117.624 117.624 118.381 -0.757 19327 5516 1 16 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.263 -0.151 19327 5517 1 16 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.839 0.110 19327 5518 1 16 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.737 0.855 19327 5519 1 16 . 1 1 52 52 LEU H H 52 8.169 8.169 8.104 0.065 19327 5520 1 16 . 1 1 53 53 ASP N N 53 120.042 120.042 119.559 0.483 19327 5521 1 16 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.589 -0.167 19327 5522 1 16 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.355 -0.607 19327 5523 1 16 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.836 -0.996 19327 5524 1 16 . 1 1 53 53 ASP H H 53 7.515 7.515 8.585 -1.070 19327 5525 1 16 . 1 1 54 54 ALA N N 54 123.542 123.542 122.591 0.951 19327 5526 1 16 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.910 0.300 19327 5527 1 16 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.212 -0.412 19327 5528 1 16 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.590 -0.148 19327 5529 1 16 . 1 1 54 54 ALA H H 54 8.806 8.806 8.281 0.525 19327 5530 1 16 . 1 1 55 55 ARG N N 55 117.281 117.281 118.971 -1.690 19327 5531 1 16 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.882 -0.140 19327 5532 1 16 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.921 0.380 19327 5533 1 16 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.081 0.186 19327 5534 1 16 . 1 1 55 55 ARG H H 55 7.869 7.869 7.779 0.090 19327 5535 1 16 . 1 1 56 56 GLU N N 56 116.048 116.048 118.616 -2.568 19327 5536 1 16 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.950 0.059 19327 5537 1 16 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.623 -0.783 19327 5538 1 16 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.300 -0.610 19327 5539 1 16 . 1 1 56 56 GLU H H 56 7.638 7.638 7.893 -0.255 19327 5540 1 16 . 1 1 57 57 ASP N N 57 120.238 120.238 120.716 -0.478 19327 5541 1 16 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.420 -0.036 19327 5542 1 16 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.249 0.225 19327 5543 1 16 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.868 1.664 19327 5544 1 16 . 1 1 57 57 ASP H H 57 8.126 8.126 7.705 0.421 19327 5545 1 16 . 1 1 58 58 LEU N N 58 117.410 117.410 119.354 -1.944 19327 5546 1 16 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.966 -0.105 19327 5547 1 16 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.748 -0.152 19327 5548 1 16 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.920 -0.306 19327 5549 1 16 . 1 1 58 58 LEU H H 58 8.172 8.172 7.952 0.220 19327 5550 1 16 . 1 1 59 59 ILE N N 59 118.841 118.841 120.932 -2.091 19327 5551 1 16 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.715 -0.412 19327 5552 1 16 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.559 0.198 19327 5553 1 16 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.760 -0.197 19327 5554 1 16 . 1 1 59 59 ILE H H 59 8.028 8.028 8.256 -0.228 19327 5555 1 16 . 1 1 60 60 LYS N N 60 119.525 119.525 120.169 -0.644 19327 5556 1 16 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.909 0.185 19327 5557 1 16 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.021 -0.268 19327 5558 1 16 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.403 -0.268 19327 5559 1 16 . 1 1 60 60 LYS H H 60 7.895 7.895 8.017 -0.122 19327 5560 1 16 . 1 1 61 61 LYS N N 61 119.257 119.257 118.788 0.469 19327 5561 1 16 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.029 -0.042 19327 5562 1 16 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.279 -0.005 19327 5563 1 16 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.422 1.122 19327 5564 1 16 . 1 1 61 61 LYS H H 61 8.086 8.086 7.974 0.112 19327 5565 1 16 . 1 1 62 62 ALA N N 62 122.326 122.326 121.866 0.460 19327 5566 1 16 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.100 -0.327 19327 5567 1 16 . 1 1 62 62 ALA CA C 62 55.037 55.037 54.922 0.115 19327 5568 1 16 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.206 0.896 19327 5569 1 16 . 1 1 62 62 ALA H H 62 8.489 8.489 8.036 0.453 19327 5570 1 16 . 1 1 63 63 ASP N N 63 120.381 120.381 118.783 1.598 19327 5571 1 16 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.368 0.227 19327 5572 1 16 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.104 -0.024 19327 5573 1 16 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.080 -2.051 19327 5574 1 16 . 1 1 63 63 ASP H H 63 8.855 8.855 8.078 0.777 19327 5575 1 16 . 1 1 64 64 GLU N N 64 121.428 121.428 119.016 2.412 19327 5576 1 16 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.089 -0.012 19327 5577 1 16 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.364 0.531 19327 5578 1 16 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.349 -0.225 19327 5579 1 16 . 1 1 64 64 GLU H H 64 8.053 8.053 7.904 0.149 19327 5580 1 16 . 1 1 65 65 LYS N N 65 115.778 115.778 116.143 -0.365 19327 5581 1 16 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.283 0.037 19327 5582 1 16 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.960 -1.130 19327 5583 1 16 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.282 0.737 19327 5584 1 16 . 1 1 65 65 LYS H H 65 7.186 7.186 7.814 -0.628 19327 5585 1 16 . 1 1 66 66 GLY N N 66 107.578 107.578 106.670 0.908 19327 5586 1 16 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.068 0.754 19327 5587 1 16 . 1 1 66 66 GLY H H 66 7.873 7.873 7.654 0.219 19327 5588 1 16 . 1 1 67 67 ALA N N 67 119.025 119.025 122.622 -3.597 19327 5589 1 16 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.211 -0.189 19327 5590 1 16 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.258 -0.559 19327 5591 1 16 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.489 1.721 19327 5592 1 16 . 1 1 67 67 ALA H H 67 7.927 7.927 7.791 0.136 19327 5593 1 16 . 1 1 68 68 ASP N N 68 116.686 116.686 123.559 -6.873 19327 5594 1 16 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.728 0.343 19327 5595 1 16 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.606 -1.005 19327 5596 1 16 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.233 2.775 19327 5597 1 16 . 1 1 68 68 ASP H H 68 8.793 8.793 8.325 0.468 19327 5598 1 16 . 1 1 69 69 VAL N N 69 118.623 118.623 116.965 1.658 19327 5599 1 16 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.659 0.471 19327 5600 1 16 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.724 -0.294 19327 5601 1 16 . 1 1 69 69 VAL CB C 69 37.603 37.603 36.035 1.568 19327 5602 1 16 . 1 1 69 69 VAL H H 69 8.076 8.076 8.023 0.053 19327 5603 1 16 . 1 1 70 70 VAL N N 70 127.358 127.358 124.770 2.588 19327 5604 1 16 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.365 0.195 19327 5605 1 16 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.130 -1.187 19327 5606 1 16 . 1 1 70 70 VAL CB C 70 34.433 34.433 33.520 0.913 19327 5607 1 16 . 1 1 70 70 VAL H H 70 8.724 8.724 8.871 -0.147 19327 5608 1 16 . 1 1 71 71 VAL N N 71 126.739 126.739 127.028 -0.289 19327 5609 1 16 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.778 -0.222 19327 5610 1 16 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.060 0.792 19327 5611 1 16 . 1 1 71 71 VAL CB C 71 34.062 34.062 32.571 1.491 19327 5612 1 16 . 1 1 71 71 VAL H H 71 8.891 8.891 8.620 0.271 19327 5613 1 16 . 1 1 72 72 LEU N N 72 127.581 127.581 129.091 -1.510 19327 5614 1 16 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.221 0.227 19327 5615 1 16 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.478 0.242 19327 5616 1 16 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.841 1.790 19327 5617 1 16 . 1 1 72 72 LEU H H 72 8.802 8.802 8.519 0.283 19327 5618 1 16 . 1 1 73 73 THR N N 73 114.207 114.207 120.763 -6.556 19327 5619 1 16 . 1 1 73 73 THR HA H 73 4.420 4.420 4.214 0.206 19327 5620 1 16 . 1 1 73 73 THR CA C 73 61.516 61.516 64.286 -2.770 19327 5621 1 16 . 1 1 73 73 THR CB C 73 69.462 69.462 68.949 0.513 19327 5622 1 16 . 1 1 73 73 THR H H 73 8.631 8.631 8.288 0.343 19327 5623 1 16 . 1 1 74 74 SER N N 74 116.164 116.164 115.591 0.573 19327 5624 1 16 . 1 1 74 74 SER HA H 74 4.542 4.542 4.413 0.129 19327 5625 1 16 . 1 1 74 74 SER CA C 74 58.066 58.066 58.831 -0.765 19327 5626 1 16 . 1 1 74 74 SER CB C 74 63.962 63.962 63.540 0.422 19327 5627 1 16 . 1 1 74 74 SER H H 74 8.137 8.137 7.648 0.489 19327 5628 1 16 . 1 1 75 75 GLY N N 75 110.048 110.048 108.751 1.297 19327 5629 1 16 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.292 -0.008 19327 5630 1 16 . 1 1 75 75 GLY H H 75 8.574 8.574 8.086 0.488 19327 5631 1 16 . 1 1 76 76 GLN N N 76 119.520 119.520 122.196 -2.676 19327 5632 1 16 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.442 0.057 19327 5633 1 16 . 1 1 76 76 GLN CA C 76 55.969 55.969 55.883 0.086 19327 5634 1 16 . 1 1 76 76 GLN CB C 76 29.761 29.761 30.353 -0.592 19327 5635 1 16 . 1 1 76 76 GLN H H 76 8.393 8.393 8.518 -0.125 19327 5636 1 16 . 1 1 77 77 THR N N 77 113.213 113.213 118.892 -5.679 19327 5637 1 16 . 1 1 77 77 THR HA H 77 4.432 4.432 4.077 0.355 19327 5638 1 16 . 1 1 77 77 THR CA C 77 61.408 61.408 64.028 -2.619 19327 5639 1 16 . 1 1 77 77 THR CB C 77 69.786 69.786 68.519 1.267 19327 5640 1 16 . 1 1 77 77 THR H H 77 8.105 8.105 8.052 0.053 19327 5641 1 16 . 1 1 78 78 GLU N N 78 120.912 120.912 126.162 -5.250 19327 5642 1 16 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.968 0.280 19327 5643 1 16 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.647 -1.657 19327 5644 1 16 . 1 1 78 78 GLU CB C 78 29.789 29.789 29.314 0.475 19327 5645 1 16 . 1 1 78 78 GLU H H 78 8.454 8.454 8.577 -0.123 19327 5646 1 16 . 1 1 79 79 ASN N N 79 117.094 117.094 116.916 0.178 19327 5647 1 16 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.682 -0.077 19327 5648 1 16 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.228 -0.468 19327 5649 1 16 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.370 0.361 19327 5650 1 16 . 1 1 79 79 ASN H H 79 8.329 8.329 8.257 0.072 19327 5651 1 16 . 1 1 80 80 LYS N N 80 118.942 118.942 117.352 1.590 19327 5652 1 16 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.436 -0.129 19327 5653 1 16 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.145 -0.029 19327 5654 1 16 . 1 1 80 80 LYS CB C 80 33.378 33.378 34.691 -1.313 19327 5655 1 16 . 1 1 80 80 LYS H H 80 7.910 7.910 7.833 0.077 19327 5656 1 16 . 1 1 81 81 ILE N N 81 119.677 119.677 118.046 1.631 19327 5657 1 16 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.318 -0.012 19327 5658 1 16 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.913 0.614 19327 5659 1 16 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.154 -0.104 19327 5660 1 16 . 1 1 81 81 ILE H H 81 8.341 8.341 7.771 0.570 19327 5661 1 16 . 1 1 82 82 HIS N N 82 121.812 121.812 121.326 0.486 19327 5662 1 16 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.836 -0.060 19327 5663 1 16 . 1 1 82 82 HIS CA C 82 54.684 54.684 54.755 -0.071 19327 5664 1 16 . 1 1 82 82 HIS CB C 82 28.930 28.930 29.388 -0.458 19327 5665 1 16 . 1 1 82 82 HIS H H 82 8.472 8.472 8.462 0.010 19327 5666 1 16 . 1 1 83 83 GLY N N 83 111.641 111.641 109.074 2.567 19327 5667 1 16 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.296 -0.172 19327 5668 1 16 . 1 1 83 83 GLY H H 83 8.334 8.334 8.384 -0.050 19327 5669 1 16 . 1 1 84 84 THR N N 84 112.460 112.460 116.320 -3.860 19327 5670 1 16 . 1 1 84 84 THR HA H 84 5.037 5.037 4.985 0.052 19327 5671 1 16 . 1 1 84 84 THR CA C 84 60.301 60.301 62.246 -1.945 19327 5672 1 16 . 1 1 84 84 THR CB C 84 72.048 72.048 70.043 2.005 19327 5673 1 16 . 1 1 84 84 THR H H 84 8.125 8.125 7.223 0.902 19327 5674 1 16 . 1 1 85 85 ALA N N 85 122.513 122.513 128.910 -6.397 19327 5675 1 16 . 1 1 85 85 ALA HA H 85 4.959 4.959 4.908 0.051 19327 5676 1 16 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.991 0.279 19327 5677 1 16 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.656 1.187 19327 5678 1 16 . 1 1 85 85 ALA H H 85 8.841 8.841 9.027 -0.186 19327 5679 1 16 . 1 1 86 86 ASP N N 86 121.651 121.651 124.501 -2.850 19327 5680 1 16 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.980 0.218 19327 5681 1 16 . 1 1 86 86 ASP CA C 86 53.477 53.477 55.116 -1.639 19327 5682 1 16 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.171 1.158 19327 5683 1 16 . 1 1 86 86 ASP H H 86 8.506 8.506 8.344 0.162 19327 5684 1 16 . 1 1 87 87 ILE N N 87 111.376 111.376 118.147 -6.771 19327 5685 1 16 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.696 0.683 19327 5686 1 16 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.333 -2.144 19327 5687 1 16 . 1 1 87 87 ILE CB C 87 41.389 41.389 38.744 2.645 19327 5688 1 16 . 1 1 87 87 ILE H H 87 7.966 7.966 8.240 -0.274 19327 5689 1 16 . 1 1 88 88 TYR N N 88 118.138 118.138 125.715 -7.577 19327 5690 1 16 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.571 -0.128 19327 5691 1 16 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.231 0.786 19327 5692 1 16 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.989 1.185 19327 5693 1 16 . 1 1 88 88 TYR H H 88 8.754 8.754 8.996 -0.242 19327 5694 1 16 . 1 1 89 89 LYS N N 89 123.705 123.705 120.336 3.369 19327 5695 1 16 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.186 -0.009 19327 5696 1 16 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.399 0.067 19327 5697 1 16 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.370 0.768 19327 5698 1 16 . 1 1 89 89 LYS H H 89 9.595 9.595 8.848 0.747 19327 5699 1 16 . 1 1 90 90 LYS N N 90 129.328 129.328 122.819 6.509 19327 5700 1 16 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.191 -0.371 19327 5701 1 16 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.507 1.159 19327 5702 1 16 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.471 -0.644 19327 5703 1 16 . 1 1 90 90 LYS H H 90 10.195 10.195 8.775 1.420 19327 5704 1 16 . 1 1 91 91 LYS N N 91 126.034 126.034 126.504 -0.470 19327 5705 1 16 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.160 -0.050 19327 5706 1 16 . 1 1 91 91 LYS CA C 91 57.325 57.325 57.251 0.074 19327 5707 1 16 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.053 2.272 19327 5708 1 16 . 1 1 91 91 LYS H H 91 8.459 8.459 7.988 0.471 19327 5709 1 16 . 1 1 92 92 LEU N N 92 123.360 123.360 122.527 0.833 19327 5710 1 16 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.756 -0.471 19327 5711 1 16 . 1 1 92 92 LEU CA C 92 54.817 54.817 53.632 1.185 19327 5712 1 16 . 1 1 92 92 LEU CB C 92 42.315 42.315 44.032 -1.717 19327 5713 1 16 . 1 1 92 92 LEU H H 92 8.266 8.266 7.830 0.436 19327 5714 1 16 . 1 1 93 93 GLU N N 93 121.993 121.993 119.221 2.772 19327 5715 1 16 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.716 -0.492 19327 5716 1 16 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.331 0.501 19327 5717 1 16 . 1 1 93 93 GLU CB C 93 30.425 30.425 31.359 -0.934 19327 5718 1 16 . 1 1 93 93 GLU H H 93 8.311 8.311 8.289 0.022 19327 5719 1 16 . 1 1 94 94 HIS N N 94 119.802 119.802 119.519 0.283 19327 5720 1 16 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.634 0.002 19327 5721 1 16 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.284 -1.225 19327 5722 1 16 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.624 -1.493 19327 5723 1 16 . 1 1 94 94 HIS H H 94 8.567 8.567 8.604 -0.037 19327 5724 1 16 . 1 1 95 95 HIS N N 95 119.430 119.430 119.558 -0.128 19327 5725 1 16 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.372 0.265 19327 5726 1 16 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.504 -1.330 19327 5727 1 16 . 1 1 95 95 HIS CB C 95 29.082 29.082 29.653 -0.571 19327 5728 1 16 . 1 1 95 95 HIS H H 95 8.600 8.600 8.771 -0.171 19327 5729 1 17 . 1 1 23 23 GLU N N 23 117.829 117.829 122.894 -5.065 19327 5730 1 17 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.754 -0.041 19327 5731 1 17 . 1 1 23 23 GLU C C 23 174.825 174.825 175.832 -1.007 19327 5732 1 17 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.307 0.056 19327 5733 1 17 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.470 1.170 19327 5734 1 17 . 1 1 23 23 GLU H H 23 7.921 7.921 8.545 -0.624 19327 5735 1 17 . 1 1 24 24 ILE N N 24 123.913 123.913 126.081 -2.168 19327 5736 1 17 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.645 0.226 19327 5737 1 17 . 1 1 24 24 ILE C C 24 176.427 176.427 176.112 0.315 19327 5738 1 17 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.924 -0.636 19327 5739 1 17 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.336 0.922 19327 5740 1 17 . 1 1 24 24 ILE H H 24 8.873 8.873 8.805 0.068 19327 5741 1 17 . 1 1 25 25 MET N N 25 127.256 127.256 127.867 -0.611 19327 5742 1 17 . 1 1 25 25 MET HA H 25 4.761 4.761 4.848 -0.087 19327 5743 1 17 . 1 1 25 25 MET C C 25 175.735 175.735 173.977 1.758 19327 5744 1 17 . 1 1 25 25 MET CA C 25 54.339 54.339 52.799 1.540 19327 5745 1 17 . 1 1 25 25 MET CB C 25 37.347 37.347 36.684 0.664 19327 5746 1 17 . 1 1 25 25 MET H H 25 8.727 8.727 8.818 -0.090 19327 5747 1 17 . 1 1 26 26 LYS N N 26 123.671 123.671 121.055 2.616 19327 5748 1 17 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.533 -0.218 19327 5749 1 17 . 1 1 26 26 LYS C C 26 178.259 178.259 177.366 0.893 19327 5750 1 17 . 1 1 26 26 LYS CA C 26 56.725 56.725 54.917 1.808 19327 5751 1 17 . 1 1 26 26 LYS CB C 26 32.963 32.963 34.743 -1.780 19327 5752 1 17 . 1 1 26 26 LYS H H 26 9.189 9.189 8.546 0.643 19327 5753 1 17 . 1 1 27 27 LYS N N 27 126.369 126.369 125.620 0.749 19327 5754 1 17 . 1 1 27 27 LYS HA H 27 3.864 3.864 3.967 -0.103 19327 5755 1 17 . 1 1 27 27 LYS C C 27 177.241 177.241 178.463 -1.222 19327 5756 1 17 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.736 0.851 19327 5757 1 17 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.252 0.107 19327 5758 1 17 . 1 1 27 27 LYS H H 27 8.871 8.871 8.437 0.434 19327 5759 1 17 . 1 1 28 28 THR N N 28 107.099 107.099 113.521 -6.422 19327 5760 1 17 . 1 1 28 28 THR HA H 28 4.135 4.135 4.048 0.087 19327 5761 1 17 . 1 1 28 28 THR CA C 28 64.757 64.757 67.112 -2.355 19327 5762 1 17 . 1 1 28 28 THR CB C 28 68.084 68.084 68.490 -0.406 19327 5763 1 17 . 1 1 28 28 THR H H 28 8.110 8.110 8.416 -0.306 19327 5764 1 17 . 1 1 29 29 ASP N N 29 119.543 119.543 121.491 -1.948 19327 5765 1 17 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.393 0.193 19327 5766 1 17 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.496 0.160 19327 5767 1 17 . 1 1 29 29 ASP CB C 29 40.727 40.727 39.965 0.762 19327 5768 1 17 . 1 1 29 29 ASP H H 29 6.779 6.779 7.713 -0.934 19327 5769 1 17 . 1 1 30 30 PHE N N 30 123.437 123.437 120.602 2.835 19327 5770 1 17 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.032 -0.096 19327 5771 1 17 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.967 -0.105 19327 5772 1 17 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.468 -0.438 19327 5773 1 17 . 1 1 30 30 PHE H H 30 8.633 8.633 8.077 0.556 19327 5774 1 17 . 1 1 31 31 ASP N N 31 117.040 117.040 119.358 -2.318 19327 5775 1 17 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.192 -0.042 19327 5776 1 17 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.584 -0.509 19327 5777 1 17 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.661 -0.675 19327 5778 1 17 . 1 1 31 31 ASP H H 31 8.650 8.650 8.359 0.291 19327 5779 1 17 . 1 1 32 32 LYS N N 32 114.800 114.800 119.067 -4.267 19327 5780 1 17 . 1 1 32 32 LYS HA H 32 4.114 4.114 3.998 0.116 19327 5781 1 17 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.752 -0.365 19327 5782 1 17 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.560 0.695 19327 5783 1 17 . 1 1 32 32 LYS H H 32 6.927 6.927 7.825 -0.898 19327 5784 1 17 . 1 1 33 33 VAL N N 33 109.380 109.380 111.669 -2.289 19327 5785 1 17 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.361 0.258 19327 5786 1 17 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.572 -0.512 19327 5787 1 17 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.452 0.982 19327 5788 1 17 . 1 1 33 33 VAL H H 33 7.404 7.404 7.357 0.047 19327 5789 1 17 . 1 1 34 34 ALA N N 34 124.530 124.530 124.812 -0.282 19327 5790 1 17 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.527 -0.511 19327 5791 1 17 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.771 0.493 19327 5792 1 17 . 1 1 34 34 ALA CB C 34 19.394 19.394 17.755 1.639 19327 5793 1 17 . 1 1 34 34 ALA H H 34 6.714 6.714 7.577 -0.863 19327 5794 1 17 . 1 1 35 35 SER N N 35 110.547 110.547 113.285 -2.738 19327 5795 1 17 . 1 1 35 35 SER HA H 35 4.324 4.324 4.191 0.133 19327 5796 1 17 . 1 1 35 35 SER CA C 35 60.456 60.456 61.444 -0.988 19327 5797 1 17 . 1 1 35 35 SER CB C 35 62.536 62.536 62.715 -0.179 19327 5798 1 17 . 1 1 35 35 SER H H 35 8.121 8.121 8.427 -0.306 19327 5799 1 17 . 1 1 36 36 GLU N N 36 119.216 119.216 117.989 1.227 19327 5800 1 17 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.380 -0.107 19327 5801 1 17 . 1 1 36 36 GLU CA C 36 55.787 55.787 54.902 0.885 19327 5802 1 17 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.025 0.060 19327 5803 1 17 . 1 1 36 36 GLU H H 36 8.305 8.305 7.830 0.475 19327 5804 1 17 . 1 1 37 37 TYR N N 37 117.179 117.179 117.825 -0.646 19327 5805 1 17 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.370 -0.220 19327 5806 1 17 . 1 1 37 37 TYR CA C 37 57.956 57.956 57.126 0.830 19327 5807 1 17 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.858 1.382 19327 5808 1 17 . 1 1 37 37 TYR H H 37 7.922 7.922 7.776 0.146 19327 5809 1 17 . 1 1 38 38 THR N N 38 115.546 115.546 117.321 -1.775 19327 5810 1 17 . 1 1 38 38 THR HA H 38 4.843 4.843 4.825 0.018 19327 5811 1 17 . 1 1 38 38 THR CA C 38 60.454 60.454 60.519 -0.065 19327 5812 1 17 . 1 1 38 38 THR CB C 38 71.300 71.300 70.949 0.351 19327 5813 1 17 . 1 1 38 38 THR H H 38 9.483 9.483 9.262 0.221 19327 5814 1 17 . 1 1 39 39 LYS N N 39 130.415 130.415 130.452 -0.037 19327 5815 1 17 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.796 0.087 19327 5816 1 17 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.587 1.028 19327 5817 1 17 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.267 0.323 19327 5818 1 17 . 1 1 39 39 LYS H H 39 9.290 9.290 8.804 0.486 19327 5819 1 17 . 1 1 40 40 ILE N N 40 122.004 122.004 121.839 0.165 19327 5820 1 17 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.462 0.096 19327 5821 1 17 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.430 0.622 19327 5822 1 17 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.752 0.605 19327 5823 1 17 . 1 1 40 40 ILE H H 40 8.819 8.819 8.436 0.383 19327 5824 1 17 . 1 1 41 41 GLY N N 41 107.582 107.582 108.516 -0.934 19327 5825 1 17 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.462 -0.256 19327 5826 1 17 . 1 1 41 41 GLY H H 41 7.136 7.136 7.263 -0.127 19327 5827 1 17 . 1 1 42 42 THR N N 42 115.052 115.052 115.845 -0.793 19327 5828 1 17 . 1 1 42 42 THR HA H 42 5.237 5.237 4.984 0.253 19327 5829 1 17 . 1 1 42 42 THR CA C 42 60.959 60.959 61.593 -0.634 19327 5830 1 17 . 1 1 42 42 THR CB C 42 72.255 72.255 70.248 2.007 19327 5831 1 17 . 1 1 42 42 THR H H 42 8.218 8.218 8.216 0.002 19327 5832 1 17 . 1 1 43 43 ILE N N 43 118.029 118.029 122.260 -4.231 19327 5833 1 17 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.791 -0.004 19327 5834 1 17 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.146 0.406 19327 5835 1 17 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.975 1.726 19327 5836 1 17 . 1 1 43 43 ILE H H 43 9.129 9.129 8.817 0.312 19327 5837 1 17 . 1 1 44 44 SER N N 44 113.484 113.484 116.976 -3.492 19327 5838 1 17 . 1 1 44 44 SER HA H 44 5.252 5.252 5.197 0.055 19327 5839 1 17 . 1 1 44 44 SER CA C 44 56.792 56.792 56.250 0.542 19327 5840 1 17 . 1 1 44 44 SER CB C 44 66.063 66.063 65.850 0.213 19327 5841 1 17 . 1 1 44 44 SER H H 44 8.335 8.335 8.320 0.015 19327 5842 1 17 . 1 1 45 45 THR N N 45 113.454 113.454 113.808 -0.354 19327 5843 1 17 . 1 1 45 45 THR HA H 45 4.555 4.555 4.867 -0.312 19327 5844 1 17 . 1 1 45 45 THR CA C 45 60.871 60.871 61.687 -0.816 19327 5845 1 17 . 1 1 45 45 THR CB C 45 70.060 70.060 69.648 0.412 19327 5846 1 17 . 1 1 45 45 THR H H 45 8.375 8.375 8.239 0.136 19327 5847 1 17 . 1 1 46 46 THR N N 46 117.848 117.848 114.817 3.031 19327 5848 1 17 . 1 1 46 46 THR HA H 46 4.401 4.401 4.149 0.252 19327 5849 1 17 . 1 1 46 46 THR CA C 46 62.097 62.097 64.383 -2.286 19327 5850 1 17 . 1 1 46 46 THR CB C 46 69.387 69.387 68.993 0.394 19327 5851 1 17 . 1 1 46 46 THR H H 46 8.542 8.542 8.640 -0.098 19327 5852 1 17 . 1 1 47 47 GLY N N 47 111.660 111.660 107.522 4.138 19327 5853 1 17 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.792 0.091 19327 5854 1 17 . 1 1 47 47 GLY H H 47 8.325 8.325 7.423 0.902 19327 5855 1 17 . 1 1 48 48 GLU N N 48 120.153 120.153 120.880 -0.727 19327 5856 1 17 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.250 0.146 19327 5857 1 17 . 1 1 48 48 GLU CA C 48 55.704 55.704 57.026 -1.322 19327 5858 1 17 . 1 1 48 48 GLU CB C 48 29.594 29.594 28.660 0.934 19327 5859 1 17 . 1 1 48 48 GLU H H 48 8.437 8.437 8.451 -0.014 19327 5860 1 17 . 1 1 49 49 MET N N 49 120.146 120.146 125.014 -4.868 19327 5861 1 17 . 1 1 49 49 MET HA H 49 4.696 4.696 4.668 0.028 19327 5862 1 17 . 1 1 49 49 MET CA C 49 55.028 55.028 53.852 1.177 19327 5863 1 17 . 1 1 49 49 MET CB C 49 36.079 36.079 35.922 0.157 19327 5864 1 17 . 1 1 49 49 MET H H 49 8.390 8.390 8.245 0.145 19327 5865 1 17 . 1 1 50 50 SER N N 50 118.105 118.105 116.511 1.594 19327 5866 1 17 . 1 1 50 50 SER HA H 50 4.780 4.780 4.518 0.262 19327 5867 1 17 . 1 1 50 50 SER CA C 50 56.822 56.822 57.258 -0.436 19327 5868 1 17 . 1 1 50 50 SER CB C 50 62.631 62.631 62.785 -0.154 19327 5869 1 17 . 1 1 50 50 SER H H 50 9.023 9.023 8.409 0.614 19327 5870 1 17 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.153 0.088 19327 5871 1 17 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.418 0.660 19327 5872 1 17 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.638 0.369 19327 5873 1 17 . 1 1 52 52 LEU N N 52 117.624 117.624 117.314 0.310 19327 5874 1 17 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.125 -0.013 19327 5875 1 17 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.744 0.204 19327 5876 1 17 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.517 1.075 19327 5877 1 17 . 1 1 52 52 LEU H H 52 8.169 8.169 8.133 0.036 19327 5878 1 17 . 1 1 53 53 ASP N N 53 120.042 120.042 119.927 0.115 19327 5879 1 17 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.376 0.046 19327 5880 1 17 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.716 -0.968 19327 5881 1 17 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.266 -0.426 19327 5882 1 17 . 1 1 53 53 ASP H H 53 7.515 7.515 7.910 -0.395 19327 5883 1 17 . 1 1 54 54 ALA N N 54 123.542 123.542 123.344 0.198 19327 5884 1 17 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.973 0.237 19327 5885 1 17 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.141 -0.341 19327 5886 1 17 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.540 -0.098 19327 5887 1 17 . 1 1 54 54 ALA H H 54 8.806 8.806 8.078 0.728 19327 5888 1 17 . 1 1 55 55 ARG N N 55 117.281 117.281 118.784 -1.503 19327 5889 1 17 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.940 -0.198 19327 5890 1 17 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.862 0.439 19327 5891 1 17 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.101 0.166 19327 5892 1 17 . 1 1 55 55 ARG H H 55 7.869 7.869 8.188 -0.319 19327 5893 1 17 . 1 1 56 56 GLU N N 56 116.048 116.048 118.122 -2.074 19327 5894 1 17 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.023 -0.014 19327 5895 1 17 . 1 1 56 56 GLU CA C 56 58.840 58.840 58.893 -0.053 19327 5896 1 17 . 1 1 56 56 GLU CB C 56 28.690 28.690 28.901 -0.211 19327 5897 1 17 . 1 1 56 56 GLU H H 56 7.638 7.638 8.112 -0.474 19327 5898 1 17 . 1 1 57 57 ASP N N 57 120.238 120.238 121.032 -0.794 19327 5899 1 17 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.418 -0.034 19327 5900 1 17 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.277 0.197 19327 5901 1 17 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.881 1.651 19327 5902 1 17 . 1 1 57 57 ASP H H 57 8.126 8.126 7.785 0.341 19327 5903 1 17 . 1 1 58 58 LEU N N 58 117.410 117.410 119.250 -1.840 19327 5904 1 17 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.951 -0.090 19327 5905 1 17 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.027 -0.431 19327 5906 1 17 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.917 -0.303 19327 5907 1 17 . 1 1 58 58 LEU H H 58 8.172 8.172 7.837 0.335 19327 5908 1 17 . 1 1 59 59 ILE N N 59 118.841 118.841 119.968 -1.127 19327 5909 1 17 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.487 -0.184 19327 5910 1 17 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.880 -0.123 19327 5911 1 17 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.593 -0.030 19327 5912 1 17 . 1 1 59 59 ILE H H 59 8.028 8.028 8.594 -0.566 19327 5913 1 17 . 1 1 60 60 LYS N N 60 119.525 119.525 120.239 -0.714 19327 5914 1 17 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.912 0.182 19327 5915 1 17 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.066 -0.313 19327 5916 1 17 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.314 -0.179 19327 5917 1 17 . 1 1 60 60 LYS H H 60 7.895 7.895 8.064 -0.169 19327 5918 1 17 . 1 1 61 61 LYS N N 61 119.257 119.257 117.861 1.396 19327 5919 1 17 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.169 -0.182 19327 5920 1 17 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.180 0.094 19327 5921 1 17 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.470 1.074 19327 5922 1 17 . 1 1 61 61 LYS H H 61 8.086 8.086 7.993 0.093 19327 5923 1 17 . 1 1 62 62 ALA N N 62 122.326 122.326 122.751 -0.425 19327 5924 1 17 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.087 -0.314 19327 5925 1 17 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.035 0.002 19327 5926 1 17 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.207 0.895 19327 5927 1 17 . 1 1 62 62 ALA H H 62 8.489 8.489 8.089 0.400 19327 5928 1 17 . 1 1 63 63 ASP N N 63 120.381 120.381 119.457 0.924 19327 5929 1 17 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.327 0.268 19327 5930 1 17 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.508 -0.428 19327 5931 1 17 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.091 -2.062 19327 5932 1 17 . 1 1 63 63 ASP H H 63 8.855 8.855 8.215 0.640 19327 5933 1 17 . 1 1 64 64 GLU N N 64 121.428 121.428 118.688 2.740 19327 5934 1 17 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.090 -0.013 19327 5935 1 17 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.612 0.283 19327 5936 1 17 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.800 -0.676 19327 5937 1 17 . 1 1 64 64 GLU H H 64 8.053 8.053 7.854 0.199 19327 5938 1 17 . 1 1 65 65 LYS N N 65 115.778 115.778 116.484 -0.706 19327 5939 1 17 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.293 0.027 19327 5940 1 17 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.546 -0.716 19327 5941 1 17 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.195 0.824 19327 5942 1 17 . 1 1 65 65 LYS H H 65 7.186 7.186 7.627 -0.441 19327 5943 1 17 . 1 1 66 66 GLY N N 66 107.578 107.578 108.525 -0.947 19327 5944 1 17 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.305 0.517 19327 5945 1 17 . 1 1 66 66 GLY H H 66 7.873 7.873 7.587 0.286 19327 5946 1 17 . 1 1 67 67 ALA N N 67 119.025 119.025 122.655 -3.630 19327 5947 1 17 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.636 -0.614 19327 5948 1 17 . 1 1 67 67 ALA CA C 67 51.699 51.699 50.529 1.170 19327 5949 1 17 . 1 1 67 67 ALA CB C 67 21.210 21.210 21.644 -0.434 19327 5950 1 17 . 1 1 67 67 ALA H H 67 7.927 7.927 7.846 0.081 19327 5951 1 17 . 1 1 68 68 ASP N N 68 116.686 116.686 123.410 -6.724 19327 5952 1 17 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.644 0.427 19327 5953 1 17 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.330 -0.729 19327 5954 1 17 . 1 1 68 68 ASP CB C 68 45.008 45.008 41.975 3.033 19327 5955 1 17 . 1 1 68 68 ASP H H 68 8.793 8.793 8.384 0.409 19327 5956 1 17 . 1 1 69 69 VAL N N 69 118.623 118.623 117.641 0.982 19327 5957 1 17 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.559 0.571 19327 5958 1 17 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.251 0.179 19327 5959 1 17 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.074 3.529 19327 5960 1 17 . 1 1 69 69 VAL H H 69 8.076 8.076 8.010 0.066 19327 5961 1 17 . 1 1 70 70 VAL N N 70 127.358 127.358 127.579 -0.221 19327 5962 1 17 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.220 0.340 19327 5963 1 17 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.456 -1.514 19327 5964 1 17 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.228 2.205 19327 5965 1 17 . 1 1 70 70 VAL H H 70 8.724 8.724 8.837 -0.113 19327 5966 1 17 . 1 1 71 71 VAL N N 71 126.739 126.739 128.535 -1.796 19327 5967 1 17 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.556 -0.000 19327 5968 1 17 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.601 0.251 19327 5969 1 17 . 1 1 71 71 VAL CB C 71 34.062 34.062 32.124 1.938 19327 5970 1 17 . 1 1 71 71 VAL H H 71 8.891 8.891 8.709 0.182 19327 5971 1 17 . 1 1 72 72 LEU N N 72 127.581 127.581 129.256 -1.675 19327 5972 1 17 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.248 0.200 19327 5973 1 17 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.546 0.174 19327 5974 1 17 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.061 1.570 19327 5975 1 17 . 1 1 72 72 LEU H H 72 8.802 8.802 8.534 0.268 19327 5976 1 17 . 1 1 73 73 THR N N 73 114.207 114.207 119.752 -5.545 19327 5977 1 17 . 1 1 73 73 THR HA H 73 4.420 4.420 4.257 0.163 19327 5978 1 17 . 1 1 73 73 THR CA C 73 61.516 61.516 63.193 -1.677 19327 5979 1 17 . 1 1 73 73 THR CB C 73 69.462 69.462 69.267 0.195 19327 5980 1 17 . 1 1 73 73 THR H H 73 8.631 8.631 8.242 0.389 19327 5981 1 17 . 1 1 74 74 SER N N 74 116.164 116.164 119.745 -3.581 19327 5982 1 17 . 1 1 74 74 SER HA H 74 4.542 4.542 4.440 0.102 19327 5983 1 17 . 1 1 74 74 SER CA C 74 58.066 58.066 59.125 -1.059 19327 5984 1 17 . 1 1 74 74 SER CB C 74 63.962 63.962 62.858 1.104 19327 5985 1 17 . 1 1 74 74 SER H H 74 8.137 8.137 7.572 0.565 19327 5986 1 17 . 1 1 75 75 GLY N N 75 110.048 110.048 113.831 -3.783 19327 5987 1 17 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.919 0.365 19327 5988 1 17 . 1 1 75 75 GLY H H 75 8.574 8.574 8.480 0.094 19327 5989 1 17 . 1 1 76 76 GLN N N 76 119.520 119.520 123.914 -4.394 19327 5990 1 17 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.101 0.398 19327 5991 1 17 . 1 1 76 76 GLN CA C 76 55.969 55.969 55.693 0.276 19327 5992 1 17 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.452 1.309 19327 5993 1 17 . 1 1 76 76 GLN H H 76 8.393 8.393 7.883 0.510 19327 5994 1 17 . 1 1 77 77 THR N N 77 113.213 113.213 121.863 -8.650 19327 5995 1 17 . 1 1 77 77 THR HA H 77 4.432 4.432 4.318 0.114 19327 5996 1 17 . 1 1 77 77 THR CA C 77 61.408 61.408 61.643 -0.235 19327 5997 1 17 . 1 1 77 77 THR CB C 77 69.786 69.786 69.247 0.539 19327 5998 1 17 . 1 1 77 77 THR H H 77 8.105 8.105 8.349 -0.244 19327 5999 1 17 . 1 1 78 78 GLU N N 78 120.912 120.912 120.758 0.154 19327 6000 1 17 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.917 0.331 19327 6001 1 17 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.035 -2.045 19327 6002 1 17 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.831 1.958 19327 6003 1 17 . 1 1 78 78 GLU H H 78 8.454 8.454 8.487 -0.033 19327 6004 1 17 . 1 1 79 79 ASN N N 79 117.094 117.094 119.318 -2.224 19327 6005 1 17 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.487 0.118 19327 6006 1 17 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.235 -1.475 19327 6007 1 17 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.196 -0.465 19327 6008 1 17 . 1 1 79 79 ASN H H 79 8.329 8.329 8.039 0.290 19327 6009 1 17 . 1 1 80 80 LYS N N 80 118.942 118.942 119.417 -0.475 19327 6010 1 17 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.412 -0.105 19327 6011 1 17 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.057 0.059 19327 6012 1 17 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.878 0.500 19327 6013 1 17 . 1 1 80 80 LYS H H 80 7.910 7.910 7.914 -0.004 19327 6014 1 17 . 1 1 81 81 ILE N N 81 119.677 119.677 120.770 -1.093 19327 6015 1 17 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.561 -0.255 19327 6016 1 17 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.864 0.662 19327 6017 1 17 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.147 -0.097 19327 6018 1 17 . 1 1 81 81 ILE H H 81 8.341 8.341 8.175 0.166 19327 6019 1 17 . 1 1 82 82 HIS N N 82 121.812 121.812 119.817 1.995 19327 6020 1 17 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.694 0.082 19327 6021 1 17 . 1 1 82 82 HIS CA C 82 54.684 54.684 57.021 -2.337 19327 6022 1 17 . 1 1 82 82 HIS CB C 82 28.930 28.930 31.613 -2.683 19327 6023 1 17 . 1 1 82 82 HIS H H 82 8.472 8.472 9.031 -0.559 19327 6024 1 17 . 1 1 83 83 GLY N N 83 111.641 111.641 107.965 3.676 19327 6025 1 17 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.824 0.300 19327 6026 1 17 . 1 1 83 83 GLY H H 83 8.334 8.334 7.885 0.449 19327 6027 1 17 . 1 1 84 84 THR N N 84 112.460 112.460 113.324 -0.864 19327 6028 1 17 . 1 1 84 84 THR HA H 84 5.037 5.037 5.353 -0.316 19327 6029 1 17 . 1 1 84 84 THR CA C 84 60.301 60.301 59.817 0.484 19327 6030 1 17 . 1 1 84 84 THR CB C 84 72.048 72.048 71.026 1.022 19327 6031 1 17 . 1 1 84 84 THR H H 84 8.125 8.125 8.108 0.017 19327 6032 1 17 . 1 1 85 85 ALA N N 85 122.513 122.513 124.670 -2.157 19327 6033 1 17 . 1 1 85 85 ALA HA H 85 4.959 4.959 4.936 0.023 19327 6034 1 17 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.156 0.114 19327 6035 1 17 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.661 1.182 19327 6036 1 17 . 1 1 85 85 ALA H H 85 8.841 8.841 8.859 -0.018 19327 6037 1 17 . 1 1 86 86 ASP N N 86 121.651 121.651 125.379 -3.728 19327 6038 1 17 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.949 0.249 19327 6039 1 17 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.480 -1.004 19327 6040 1 17 . 1 1 86 86 ASP CB C 86 43.329 43.329 41.495 1.834 19327 6041 1 17 . 1 1 86 86 ASP H H 86 8.506 8.506 8.370 0.136 19327 6042 1 17 . 1 1 87 87 ILE N N 87 111.376 111.376 118.653 -7.277 19327 6043 1 17 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.221 0.158 19327 6044 1 17 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.782 -1.593 19327 6045 1 17 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.685 1.704 19327 6046 1 17 . 1 1 87 87 ILE H H 87 7.966 7.966 8.483 -0.517 19327 6047 1 17 . 1 1 88 88 TYR N N 88 118.138 118.138 125.310 -7.172 19327 6048 1 17 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.262 0.181 19327 6049 1 17 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.326 0.691 19327 6050 1 17 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.069 1.105 19327 6051 1 17 . 1 1 88 88 TYR H H 88 8.754 8.754 9.006 -0.252 19327 6052 1 17 . 1 1 89 89 LYS N N 89 123.705 123.705 121.252 2.453 19327 6053 1 17 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.006 0.171 19327 6054 1 17 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.413 0.053 19327 6055 1 17 . 1 1 89 89 LYS CB C 89 37.138 37.138 34.759 2.379 19327 6056 1 17 . 1 1 89 89 LYS H H 89 9.595 9.595 8.940 0.655 19327 6057 1 17 . 1 1 90 90 LYS N N 90 129.328 129.328 127.116 2.212 19327 6058 1 17 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.164 -0.344 19327 6059 1 17 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.612 1.054 19327 6060 1 17 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.832 -0.005 19327 6061 1 17 . 1 1 90 90 LYS H H 90 10.195 10.195 8.822 1.373 19327 6062 1 17 . 1 1 91 91 LYS N N 91 126.034 126.034 127.985 -1.951 19327 6063 1 17 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.116 -0.006 19327 6064 1 17 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.223 1.102 19327 6065 1 17 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.415 0.910 19327 6066 1 17 . 1 1 91 91 LYS H H 91 8.459 8.459 7.973 0.486 19327 6067 1 17 . 1 1 92 92 LEU N N 92 123.360 123.360 125.728 -2.368 19327 6068 1 17 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.304 -0.019 19327 6069 1 17 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.718 0.099 19327 6070 1 17 . 1 1 92 92 LEU CB C 92 42.315 42.315 42.264 0.051 19327 6071 1 17 . 1 1 92 92 LEU H H 92 8.266 8.266 8.338 -0.072 19327 6072 1 17 . 1 1 93 93 GLU N N 93 121.993 121.993 125.848 -3.855 19327 6073 1 17 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.414 -0.190 19327 6074 1 17 . 1 1 93 93 GLU CA C 93 55.832 55.832 56.082 -0.250 19327 6075 1 17 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.530 -0.105 19327 6076 1 17 . 1 1 93 93 GLU H H 93 8.311 8.311 8.802 -0.491 19327 6077 1 17 . 1 1 94 94 HIS N N 94 119.802 119.802 115.067 4.735 19327 6078 1 17 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.859 -0.223 19327 6079 1 17 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.572 -0.513 19327 6080 1 17 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.662 -0.531 19327 6081 1 17 . 1 1 94 94 HIS H H 94 8.567 8.567 8.659 -0.092 19327 6082 1 17 . 1 1 95 95 HIS N N 95 119.430 119.430 118.542 0.888 19327 6083 1 17 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.489 0.148 19327 6084 1 17 . 1 1 95 95 HIS CA C 95 55.174 55.174 55.763 -0.589 19327 6085 1 17 . 1 1 95 95 HIS CB C 95 29.082 29.082 32.509 -3.427 19327 6086 1 17 . 1 1 95 95 HIS H H 95 8.600 8.600 8.021 0.579 19327 6087 1 18 . 1 1 23 23 GLU N N 23 117.829 117.829 118.271 -0.442 19327 6088 1 18 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.590 0.123 19327 6089 1 18 . 1 1 23 23 GLU C C 23 174.825 174.825 174.857 -0.032 19327 6090 1 18 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.867 -0.504 19327 6091 1 18 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.628 0.012 19327 6092 1 18 . 1 1 23 23 GLU H H 23 7.921 7.921 8.608 -0.687 19327 6093 1 18 . 1 1 24 24 ILE N N 24 123.913 123.913 124.112 -0.199 19327 6094 1 18 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.750 0.121 19327 6095 1 18 . 1 1 24 24 ILE C C 24 176.427 176.427 175.838 0.589 19327 6096 1 18 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.724 -0.436 19327 6097 1 18 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.908 0.350 19327 6098 1 18 . 1 1 24 24 ILE H H 24 8.873 8.873 8.669 0.204 19327 6099 1 18 . 1 1 25 25 MET N N 25 127.256 127.256 125.098 2.158 19327 6100 1 18 . 1 1 25 25 MET HA H 25 4.761 4.761 4.799 -0.038 19327 6101 1 18 . 1 1 25 25 MET C C 25 175.735 175.735 174.575 1.160 19327 6102 1 18 . 1 1 25 25 MET CA C 25 54.339 54.339 53.941 0.398 19327 6103 1 18 . 1 1 25 25 MET CB C 25 37.347 37.347 37.524 -0.177 19327 6104 1 18 . 1 1 25 25 MET H H 25 8.727 8.727 8.756 -0.029 19327 6105 1 18 . 1 1 26 26 LYS N N 26 123.671 123.671 120.026 3.645 19327 6106 1 18 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.336 -0.021 19327 6107 1 18 . 1 1 26 26 LYS C C 26 178.259 178.259 177.709 0.550 19327 6108 1 18 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.431 0.294 19327 6109 1 18 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.050 -0.087 19327 6110 1 18 . 1 1 26 26 LYS H H 26 9.189 9.189 8.501 0.688 19327 6111 1 18 . 1 1 27 27 LYS N N 27 126.369 126.369 123.417 2.952 19327 6112 1 18 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.009 -0.145 19327 6113 1 18 . 1 1 27 27 LYS C C 27 177.241 177.241 178.407 -1.166 19327 6114 1 18 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.782 0.805 19327 6115 1 18 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.072 0.287 19327 6116 1 18 . 1 1 27 27 LYS H H 27 8.871 8.871 8.344 0.527 19327 6117 1 18 . 1 1 28 28 THR N N 28 107.099 107.099 113.141 -6.042 19327 6118 1 18 . 1 1 28 28 THR HA H 28 4.135 4.135 3.980 0.155 19327 6119 1 18 . 1 1 28 28 THR CA C 28 64.757 64.757 67.229 -2.472 19327 6120 1 18 . 1 1 28 28 THR CB C 28 68.084 68.084 68.215 -0.131 19327 6121 1 18 . 1 1 28 28 THR H H 28 8.110 8.110 8.374 -0.264 19327 6122 1 18 . 1 1 29 29 ASP N N 29 119.543 119.543 119.976 -0.433 19327 6123 1 18 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.442 0.144 19327 6124 1 18 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.660 -0.004 19327 6125 1 18 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.616 0.111 19327 6126 1 18 . 1 1 29 29 ASP H H 29 6.779 6.779 8.200 -1.421 19327 6127 1 18 . 1 1 30 30 PHE N N 30 123.437 123.437 121.149 2.288 19327 6128 1 18 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.013 -0.077 19327 6129 1 18 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.640 0.222 19327 6130 1 18 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.034 -0.004 19327 6131 1 18 . 1 1 30 30 PHE H H 30 8.633 8.633 8.130 0.503 19327 6132 1 18 . 1 1 31 31 ASP N N 31 117.040 117.040 118.332 -1.292 19327 6133 1 18 . 1 1 31 31 ASP HA H 31 4.150 4.150 3.986 0.164 19327 6134 1 18 . 1 1 31 31 ASP CA C 31 57.075 57.075 56.915 0.160 19327 6135 1 18 . 1 1 31 31 ASP CB C 31 39.986 39.986 39.806 0.180 19327 6136 1 18 . 1 1 31 31 ASP H H 31 8.650 8.650 8.356 0.294 19327 6137 1 18 . 1 1 32 32 LYS N N 32 114.800 114.800 118.082 -3.282 19327 6138 1 18 . 1 1 32 32 LYS HA H 32 4.114 4.114 3.920 0.194 19327 6139 1 18 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.719 -0.332 19327 6140 1 18 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.489 0.766 19327 6141 1 18 . 1 1 32 32 LYS H H 32 6.927 6.927 7.430 -0.503 19327 6142 1 18 . 1 1 33 33 VAL N N 33 109.380 109.380 110.747 -1.367 19327 6143 1 18 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.319 0.300 19327 6144 1 18 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.912 -0.852 19327 6145 1 18 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.469 0.965 19327 6146 1 18 . 1 1 33 33 VAL H H 33 7.404 7.404 7.393 0.011 19327 6147 1 18 . 1 1 34 34 ALA N N 34 124.530 124.530 124.728 -0.198 19327 6148 1 18 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.561 -0.545 19327 6149 1 18 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.587 0.677 19327 6150 1 18 . 1 1 34 34 ALA CB C 34 19.394 19.394 17.692 1.702 19327 6151 1 18 . 1 1 34 34 ALA H H 34 6.714 6.714 7.312 -0.598 19327 6152 1 18 . 1 1 35 35 SER N N 35 110.547 110.547 113.093 -2.546 19327 6153 1 18 . 1 1 35 35 SER HA H 35 4.324 4.324 4.189 0.135 19327 6154 1 18 . 1 1 35 35 SER CA C 35 60.456 60.456 60.968 -0.512 19327 6155 1 18 . 1 1 35 35 SER CB C 35 62.536 62.536 63.214 -0.678 19327 6156 1 18 . 1 1 35 35 SER H H 35 8.121 8.121 8.224 -0.103 19327 6157 1 18 . 1 1 36 36 GLU N N 36 119.216 119.216 117.748 1.468 19327 6158 1 18 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.771 -0.498 19327 6159 1 18 . 1 1 36 36 GLU CA C 36 55.787 55.787 54.773 1.014 19327 6160 1 18 . 1 1 36 36 GLU CB C 36 29.085 29.085 30.109 -1.024 19327 6161 1 18 . 1 1 36 36 GLU H H 36 8.305 8.305 7.768 0.537 19327 6162 1 18 . 1 1 37 37 TYR N N 37 117.179 117.179 119.419 -2.240 19327 6163 1 18 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.285 -0.135 19327 6164 1 18 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.940 1.016 19327 6165 1 18 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.629 1.611 19327 6166 1 18 . 1 1 37 37 TYR H H 37 7.922 7.922 8.014 -0.092 19327 6167 1 18 . 1 1 38 38 THR N N 38 115.546 115.546 115.653 -0.107 19327 6168 1 18 . 1 1 38 38 THR HA H 38 4.843 4.843 4.814 0.029 19327 6169 1 18 . 1 1 38 38 THR CA C 38 60.454 60.454 60.823 -0.369 19327 6170 1 18 . 1 1 38 38 THR CB C 38 71.300 71.300 70.460 0.840 19327 6171 1 18 . 1 1 38 38 THR H H 38 9.483 9.483 9.159 0.324 19327 6172 1 18 . 1 1 39 39 LYS N N 39 130.415 130.415 129.951 0.464 19327 6173 1 18 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.646 0.237 19327 6174 1 18 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.589 1.026 19327 6175 1 18 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.813 0.777 19327 6176 1 18 . 1 1 39 39 LYS H H 39 9.290 9.290 8.953 0.337 19327 6177 1 18 . 1 1 40 40 ILE N N 40 122.004 122.004 122.079 -0.075 19327 6178 1 18 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.420 0.138 19327 6179 1 18 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.570 0.482 19327 6180 1 18 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.565 0.792 19327 6181 1 18 . 1 1 40 40 ILE H H 40 8.819 8.819 8.327 0.492 19327 6182 1 18 . 1 1 41 41 GLY N N 41 107.582 107.582 106.949 0.633 19327 6183 1 18 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.309 -0.103 19327 6184 1 18 . 1 1 41 41 GLY H H 41 7.136 7.136 7.358 -0.222 19327 6185 1 18 . 1 1 42 42 THR N N 42 115.052 115.052 115.322 -0.270 19327 6186 1 18 . 1 1 42 42 THR HA H 42 5.237 5.237 4.910 0.327 19327 6187 1 18 . 1 1 42 42 THR CA C 42 60.959 60.959 61.568 -0.609 19327 6188 1 18 . 1 1 42 42 THR CB C 42 72.255 72.255 70.520 1.735 19327 6189 1 18 . 1 1 42 42 THR H H 42 8.218 8.218 8.233 -0.015 19327 6190 1 18 . 1 1 43 43 ILE N N 43 118.029 118.029 122.174 -4.145 19327 6191 1 18 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.869 -0.082 19327 6192 1 18 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.171 0.381 19327 6193 1 18 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.025 1.676 19327 6194 1 18 . 1 1 43 43 ILE H H 43 9.129 9.129 8.876 0.253 19327 6195 1 18 . 1 1 44 44 SER N N 44 113.484 113.484 116.525 -3.041 19327 6196 1 18 . 1 1 44 44 SER HA H 44 5.252 5.252 5.428 -0.176 19327 6197 1 18 . 1 1 44 44 SER CA C 44 56.792 56.792 56.953 -0.161 19327 6198 1 18 . 1 1 44 44 SER CB C 44 66.063 66.063 65.302 0.761 19327 6199 1 18 . 1 1 44 44 SER H H 44 8.335 8.335 8.325 0.010 19327 6200 1 18 . 1 1 45 45 THR N N 45 113.454 113.454 117.932 -4.478 19327 6201 1 18 . 1 1 45 45 THR HA H 45 4.555 4.555 4.490 0.065 19327 6202 1 18 . 1 1 45 45 THR CA C 45 60.871 60.871 61.766 -0.895 19327 6203 1 18 . 1 1 45 45 THR CB C 45 70.060 70.060 69.740 0.320 19327 6204 1 18 . 1 1 45 45 THR H H 45 8.375 8.375 8.305 0.070 19327 6205 1 18 . 1 1 46 46 THR N N 46 117.848 117.848 121.719 -3.871 19327 6206 1 18 . 1 1 46 46 THR HA H 46 4.401 4.401 4.162 0.239 19327 6207 1 18 . 1 1 46 46 THR CA C 46 62.097 62.097 63.628 -1.531 19327 6208 1 18 . 1 1 46 46 THR CB C 46 69.387 69.387 67.748 1.639 19327 6209 1 18 . 1 1 46 46 THR H H 46 8.542 8.542 8.601 -0.059 19327 6210 1 18 . 1 1 47 47 GLY N N 47 111.660 111.660 115.837 -4.177 19327 6211 1 18 . 1 1 47 47 GLY CA C 47 44.883 44.883 45.435 -0.552 19327 6212 1 18 . 1 1 47 47 GLY H H 47 8.325 8.325 8.139 0.186 19327 6213 1 18 . 1 1 48 48 GLU N N 48 120.153 120.153 122.965 -2.812 19327 6214 1 18 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.542 -0.146 19327 6215 1 18 . 1 1 48 48 GLU CA C 48 55.704 55.704 55.732 -0.028 19327 6216 1 18 . 1 1 48 48 GLU CB C 48 29.594 29.594 30.915 -1.321 19327 6217 1 18 . 1 1 48 48 GLU H H 48 8.437 8.437 8.281 0.156 19327 6218 1 18 . 1 1 49 49 MET N N 49 120.146 120.146 119.757 0.389 19327 6219 1 18 . 1 1 49 49 MET HA H 49 4.696 4.696 4.616 0.080 19327 6220 1 18 . 1 1 49 49 MET CA C 49 55.028 55.028 54.669 0.360 19327 6221 1 18 . 1 1 49 49 MET CB C 49 36.079 36.079 34.589 1.490 19327 6222 1 18 . 1 1 49 49 MET H H 49 8.390 8.390 8.191 0.199 19327 6223 1 18 . 1 1 50 50 SER N N 50 118.105 118.105 115.472 2.633 19327 6224 1 18 . 1 1 50 50 SER HA H 50 4.780 4.780 4.759 0.021 19327 6225 1 18 . 1 1 50 50 SER CA C 50 56.822 56.822 56.431 0.391 19327 6226 1 18 . 1 1 50 50 SER CB C 50 62.631 62.631 63.109 -0.478 19327 6227 1 18 . 1 1 50 50 SER H H 50 9.023 9.023 8.382 0.641 19327 6228 1 18 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.265 -0.024 19327 6229 1 18 . 1 1 51 51 PRO CA C 51 66.078 66.078 64.796 1.282 19327 6230 1 18 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.804 0.203 19327 6231 1 18 . 1 1 52 52 LEU N N 52 117.624 117.624 119.794 -2.170 19327 6232 1 18 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.165 -0.053 19327 6233 1 18 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.960 -0.012 19327 6234 1 18 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.497 1.095 19327 6235 1 18 . 1 1 52 52 LEU H H 52 8.169 8.169 8.168 0.001 19327 6236 1 18 . 1 1 53 53 ASP N N 53 120.042 120.042 119.546 0.496 19327 6237 1 18 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.487 -0.065 19327 6238 1 18 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.874 -1.126 19327 6239 1 18 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.248 -0.408 19327 6240 1 18 . 1 1 53 53 ASP H H 53 7.515 7.515 7.912 -0.397 19327 6241 1 18 . 1 1 54 54 ALA N N 54 123.542 123.542 123.388 0.154 19327 6242 1 18 . 1 1 54 54 ALA HA H 54 4.210 4.210 4.055 0.155 19327 6243 1 18 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.985 -0.185 19327 6244 1 18 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.504 -0.062 19327 6245 1 18 . 1 1 54 54 ALA H H 54 8.806 8.806 8.265 0.541 19327 6246 1 18 . 1 1 55 55 ARG N N 55 117.281 117.281 118.599 -1.318 19327 6247 1 18 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.962 -0.220 19327 6248 1 18 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.880 0.421 19327 6249 1 18 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.240 0.027 19327 6250 1 18 . 1 1 55 55 ARG H H 55 7.869 7.869 8.040 -0.171 19327 6251 1 18 . 1 1 56 56 GLU N N 56 116.048 116.048 119.031 -2.983 19327 6252 1 18 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.031 -0.022 19327 6253 1 18 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.257 -0.416 19327 6254 1 18 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.334 -0.644 19327 6255 1 18 . 1 1 56 56 GLU H H 56 7.638 7.638 8.178 -0.540 19327 6256 1 18 . 1 1 57 57 ASP N N 57 120.238 120.238 121.207 -0.969 19327 6257 1 18 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.430 -0.046 19327 6258 1 18 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.309 0.165 19327 6259 1 18 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.873 1.659 19327 6260 1 18 . 1 1 57 57 ASP H H 57 8.126 8.126 8.014 0.112 19327 6261 1 18 . 1 1 58 58 LEU N N 58 117.410 117.410 119.456 -2.046 19327 6262 1 18 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.926 -0.065 19327 6263 1 18 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.956 -0.360 19327 6264 1 18 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.946 -0.332 19327 6265 1 18 . 1 1 58 58 LEU H H 58 8.172 8.172 8.006 0.166 19327 6266 1 18 . 1 1 59 59 ILE N N 59 118.841 118.841 119.537 -0.696 19327 6267 1 18 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.484 -0.181 19327 6268 1 18 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.701 0.056 19327 6269 1 18 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.623 -0.060 19327 6270 1 18 . 1 1 59 59 ILE H H 59 8.028 8.028 8.343 -0.315 19327 6271 1 18 . 1 1 60 60 LYS N N 60 119.525 119.525 119.946 -0.421 19327 6272 1 18 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.887 0.207 19327 6273 1 18 . 1 1 60 60 LYS CA C 60 59.753 59.753 59.903 -0.150 19327 6274 1 18 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.334 -0.199 19327 6275 1 18 . 1 1 60 60 LYS H H 60 7.895 7.895 8.068 -0.173 19327 6276 1 18 . 1 1 61 61 LYS N N 61 119.257 119.257 118.592 0.665 19327 6277 1 18 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.027 -0.040 19327 6278 1 18 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.297 -0.023 19327 6279 1 18 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.369 1.175 19327 6280 1 18 . 1 1 61 61 LYS H H 61 8.086 8.086 8.019 0.067 19327 6281 1 18 . 1 1 62 62 ALA N N 62 122.326 122.326 121.775 0.551 19327 6282 1 18 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.076 -0.303 19327 6283 1 18 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.005 0.032 19327 6284 1 18 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.145 0.957 19327 6285 1 18 . 1 1 62 62 ALA H H 62 8.489 8.489 8.081 0.408 19327 6286 1 18 . 1 1 63 63 ASP N N 63 120.381 120.381 118.814 1.567 19327 6287 1 18 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.404 0.191 19327 6288 1 18 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.028 0.052 19327 6289 1 18 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.164 -2.135 19327 6290 1 18 . 1 1 63 63 ASP H H 63 8.855 8.855 8.122 0.733 19327 6291 1 18 . 1 1 64 64 GLU N N 64 121.428 121.428 119.159 2.269 19327 6292 1 18 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.059 0.018 19327 6293 1 18 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.551 0.344 19327 6294 1 18 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.484 -0.360 19327 6295 1 18 . 1 1 64 64 GLU H H 64 8.053 8.053 7.938 0.115 19327 6296 1 18 . 1 1 65 65 LYS N N 65 115.778 115.778 115.805 -0.027 19327 6297 1 18 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.321 -0.001 19327 6298 1 18 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.662 -0.832 19327 6299 1 18 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.620 0.399 19327 6300 1 18 . 1 1 65 65 LYS H H 65 7.186 7.186 7.833 -0.647 19327 6301 1 18 . 1 1 66 66 GLY N N 66 107.578 107.578 106.276 1.302 19327 6302 1 18 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.175 0.647 19327 6303 1 18 . 1 1 66 66 GLY H H 66 7.873 7.873 7.619 0.254 19327 6304 1 18 . 1 1 67 67 ALA N N 67 119.025 119.025 122.323 -3.298 19327 6305 1 18 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.330 -0.308 19327 6306 1 18 . 1 1 67 67 ALA CA C 67 51.699 51.699 51.158 0.541 19327 6307 1 18 . 1 1 67 67 ALA CB C 67 21.210 21.210 20.187 1.023 19327 6308 1 18 . 1 1 67 67 ALA H H 67 7.927 7.927 7.759 0.168 19327 6309 1 18 . 1 1 68 68 ASP N N 68 116.686 116.686 124.011 -7.325 19327 6310 1 18 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.633 0.438 19327 6311 1 18 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.751 -1.150 19327 6312 1 18 . 1 1 68 68 ASP CB C 68 45.008 45.008 41.708 3.300 19327 6313 1 18 . 1 1 68 68 ASP H H 68 8.793 8.793 8.364 0.429 19327 6314 1 18 . 1 1 69 69 VAL N N 69 118.623 118.623 117.569 1.054 19327 6315 1 18 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.669 0.461 19327 6316 1 18 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.312 0.118 19327 6317 1 18 . 1 1 69 69 VAL CB C 69 37.603 37.603 34.097 3.506 19327 6318 1 18 . 1 1 69 69 VAL H H 69 8.076 8.076 8.130 -0.054 19327 6319 1 18 . 1 1 70 70 VAL N N 70 127.358 127.358 127.590 -0.232 19327 6320 1 18 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.146 0.414 19327 6321 1 18 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.717 -1.774 19327 6322 1 18 . 1 1 70 70 VAL CB C 70 34.433 34.433 31.872 2.561 19327 6323 1 18 . 1 1 70 70 VAL H H 70 8.724 8.724 8.953 -0.229 19327 6324 1 18 . 1 1 71 71 VAL N N 71 126.739 126.739 128.225 -1.486 19327 6325 1 18 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.511 0.045 19327 6326 1 18 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.212 0.640 19327 6327 1 18 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.551 2.511 19327 6328 1 18 . 1 1 71 71 VAL H H 71 8.891 8.891 8.608 0.283 19327 6329 1 18 . 1 1 72 72 LEU N N 72 127.581 127.581 129.683 -2.102 19327 6330 1 18 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.283 0.165 19327 6331 1 18 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.519 0.201 19327 6332 1 18 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.433 1.198 19327 6333 1 18 . 1 1 72 72 LEU H H 72 8.802 8.802 8.530 0.272 19327 6334 1 18 . 1 1 73 73 THR N N 73 114.207 114.207 115.589 -1.382 19327 6335 1 18 . 1 1 73 73 THR HA H 73 4.420 4.420 4.373 0.047 19327 6336 1 18 . 1 1 73 73 THR CA C 73 61.516 61.516 62.259 -0.743 19327 6337 1 18 . 1 1 73 73 THR CB C 73 69.462 69.462 69.409 0.053 19327 6338 1 18 . 1 1 73 73 THR H H 73 8.631 8.631 8.223 0.408 19327 6339 1 18 . 1 1 74 74 SER N N 74 116.164 116.164 120.295 -4.131 19327 6340 1 18 . 1 1 74 74 SER HA H 74 4.542 4.542 4.336 0.206 19327 6341 1 18 . 1 1 74 74 SER CA C 74 58.066 58.066 58.792 -0.726 19327 6342 1 18 . 1 1 74 74 SER CB C 74 63.962 63.962 62.385 1.577 19327 6343 1 18 . 1 1 74 74 SER H H 74 8.137 8.137 7.492 0.645 19327 6344 1 18 . 1 1 75 75 GLY N N 75 110.048 110.048 112.473 -2.425 19327 6345 1 18 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.189 0.095 19327 6346 1 18 . 1 1 75 75 GLY H H 75 8.574 8.574 8.278 0.296 19327 6347 1 18 . 1 1 76 76 GLN N N 76 119.520 119.520 123.932 -4.412 19327 6348 1 18 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.100 0.399 19327 6349 1 18 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.496 -0.527 19327 6350 1 18 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.407 1.354 19327 6351 1 18 . 1 1 76 76 GLN H H 76 8.393 8.393 8.284 0.109 19327 6352 1 18 . 1 1 77 77 THR N N 77 113.213 113.213 122.174 -8.961 19327 6353 1 18 . 1 1 77 77 THR HA H 77 4.432 4.432 4.211 0.221 19327 6354 1 18 . 1 1 77 77 THR CA C 77 61.408 61.408 62.293 -0.885 19327 6355 1 18 . 1 1 77 77 THR CB C 77 69.786 69.786 69.051 0.735 19327 6356 1 18 . 1 1 77 77 THR H H 77 8.105 8.105 8.482 -0.377 19327 6357 1 18 . 1 1 78 78 GLU N N 78 120.912 120.912 121.098 -0.186 19327 6358 1 18 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.843 0.405 19327 6359 1 18 . 1 1 78 78 GLU CA C 78 56.990 56.990 59.220 -2.230 19327 6360 1 18 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.928 1.861 19327 6361 1 18 . 1 1 78 78 GLU H H 78 8.454 8.454 8.466 -0.012 19327 6362 1 18 . 1 1 79 79 ASN N N 79 117.094 117.094 119.542 -2.448 19327 6363 1 18 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.434 0.171 19327 6364 1 18 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.289 -1.530 19327 6365 1 18 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.790 -0.059 19327 6366 1 18 . 1 1 79 79 ASN H H 79 8.329 8.329 8.149 0.180 19327 6367 1 18 . 1 1 80 80 LYS N N 80 118.942 118.942 119.888 -0.946 19327 6368 1 18 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.394 -0.087 19327 6369 1 18 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.931 0.185 19327 6370 1 18 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.531 0.847 19327 6371 1 18 . 1 1 80 80 LYS H H 80 7.910 7.910 7.794 0.116 19327 6372 1 18 . 1 1 81 81 ILE N N 81 119.677 119.677 121.774 -2.097 19327 6373 1 18 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.478 -0.172 19327 6374 1 18 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.409 1.117 19327 6375 1 18 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.819 -0.769 19327 6376 1 18 . 1 1 81 81 ILE H H 81 8.341 8.341 8.447 -0.106 19327 6377 1 18 . 1 1 82 82 HIS N N 82 121.812 121.812 121.771 0.041 19327 6378 1 18 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.671 0.105 19327 6379 1 18 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.011 -1.327 19327 6380 1 18 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.206 -1.276 19327 6381 1 18 . 1 1 82 82 HIS H H 82 8.472 8.472 8.386 0.086 19327 6382 1 18 . 1 1 83 83 GLY N N 83 111.641 111.641 109.747 1.894 19327 6383 1 18 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.121 0.003 19327 6384 1 18 . 1 1 83 83 GLY H H 83 8.334 8.334 7.939 0.395 19327 6385 1 18 . 1 1 84 84 THR N N 84 112.460 112.460 114.141 -1.681 19327 6386 1 18 . 1 1 84 84 THR HA H 84 5.037 5.037 5.169 -0.132 19327 6387 1 18 . 1 1 84 84 THR CA C 84 60.301 60.301 60.165 0.136 19327 6388 1 18 . 1 1 84 84 THR CB C 84 72.048 72.048 70.380 1.668 19327 6389 1 18 . 1 1 84 84 THR H H 84 8.125 8.125 8.074 0.051 19327 6390 1 18 . 1 1 85 85 ALA N N 85 122.513 122.513 127.486 -4.973 19327 6391 1 18 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.168 -0.209 19327 6392 1 18 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.653 0.617 19327 6393 1 18 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.564 1.279 19327 6394 1 18 . 1 1 85 85 ALA H H 85 8.841 8.841 8.914 -0.073 19327 6395 1 18 . 1 1 86 86 ASP N N 86 121.651 121.651 125.275 -3.624 19327 6396 1 18 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.984 0.214 19327 6397 1 18 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.671 -1.194 19327 6398 1 18 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.746 0.583 19327 6399 1 18 . 1 1 86 86 ASP H H 86 8.506 8.506 8.373 0.133 19327 6400 1 18 . 1 1 87 87 ILE N N 87 111.376 111.376 117.853 -6.477 19327 6401 1 18 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.209 0.170 19327 6402 1 18 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.709 -1.520 19327 6403 1 18 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.877 1.512 19327 6404 1 18 . 1 1 87 87 ILE H H 87 7.966 7.966 8.378 -0.412 19327 6405 1 18 . 1 1 88 88 TYR N N 88 118.138 118.138 124.960 -6.822 19327 6406 1 18 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.500 -0.057 19327 6407 1 18 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.336 0.681 19327 6408 1 18 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.021 1.153 19327 6409 1 18 . 1 1 88 88 TYR H H 88 8.754 8.754 9.015 -0.261 19327 6410 1 18 . 1 1 89 89 LYS N N 89 123.705 123.705 121.948 1.757 19327 6411 1 18 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.142 0.035 19327 6412 1 18 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.806 0.660 19327 6413 1 18 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.278 0.860 19327 6414 1 18 . 1 1 89 89 LYS H H 89 9.595 9.595 8.955 0.640 19327 6415 1 18 . 1 1 90 90 LYS N N 90 129.328 129.328 127.091 2.237 19327 6416 1 18 . 1 1 90 90 LYS HA H 90 3.820 3.820 3.699 0.121 19327 6417 1 18 . 1 1 90 90 LYS CA C 90 57.666 57.666 55.936 1.730 19327 6418 1 18 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.050 -0.223 19327 6419 1 18 . 1 1 90 90 LYS H H 90 10.195 10.195 8.626 1.569 19327 6420 1 18 . 1 1 91 91 LYS N N 91 126.034 126.034 127.783 -1.749 19327 6421 1 18 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.190 -0.080 19327 6422 1 18 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.505 0.820 19327 6423 1 18 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.061 2.264 19327 6424 1 18 . 1 1 91 91 LYS H H 91 8.459 8.459 8.156 0.303 19327 6425 1 18 . 1 1 92 92 LEU N N 92 123.360 123.360 120.434 2.926 19327 6426 1 18 . 1 1 92 92 LEU HA H 92 4.285 4.285 3.925 0.360 19327 6427 1 18 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.802 0.015 19327 6428 1 18 . 1 1 92 92 LEU CB C 92 42.315 42.315 41.753 0.562 19327 6429 1 18 . 1 1 92 92 LEU H H 92 8.266 8.266 7.711 0.555 19327 6430 1 18 . 1 1 93 93 GLU N N 93 121.993 121.993 121.691 0.302 19327 6431 1 18 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.456 -0.232 19327 6432 1 18 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.864 -0.032 19327 6433 1 18 . 1 1 93 93 GLU CB C 93 30.425 30.425 28.662 1.763 19327 6434 1 18 . 1 1 93 93 GLU H H 93 8.311 8.311 8.582 -0.271 19327 6435 1 18 . 1 1 94 94 HIS N N 94 119.802 119.802 122.941 -3.139 19327 6436 1 18 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.466 0.170 19327 6437 1 18 . 1 1 94 94 HIS CA C 94 55.059 55.059 55.459 -0.400 19327 6438 1 18 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.427 -0.296 19327 6439 1 18 . 1 1 94 94 HIS H H 94 8.567 8.567 7.933 0.634 19327 6440 1 18 . 1 1 95 95 HIS N N 95 119.430 119.430 126.281 -6.851 19327 6441 1 18 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.453 0.184 19327 6442 1 18 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.975 -1.801 19327 6443 1 18 . 1 1 95 95 HIS CB C 95 29.082 29.082 29.392 -0.310 19327 6444 1 18 . 1 1 95 95 HIS H H 95 8.600 8.600 8.952 -0.352 19327 6445 1 19 . 1 1 23 23 GLU N N 23 117.829 117.829 123.018 -5.189 19327 6446 1 19 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.635 0.078 19327 6447 1 19 . 1 1 23 23 GLU C C 23 174.825 174.825 175.630 -0.805 19327 6448 1 19 . 1 1 23 23 GLU CA C 23 54.363 54.363 53.948 0.415 19327 6449 1 19 . 1 1 23 23 GLU CB C 23 32.640 32.640 30.645 1.994 19327 6450 1 19 . 1 1 23 23 GLU H H 23 7.921 7.921 8.368 -0.447 19327 6451 1 19 . 1 1 24 24 ILE N N 24 123.913 123.913 127.343 -3.430 19327 6452 1 19 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.736 0.135 19327 6453 1 19 . 1 1 24 24 ILE C C 24 176.427 176.427 176.077 0.350 19327 6454 1 19 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.314 -0.026 19327 6455 1 19 . 1 1 24 24 ILE CB C 24 38.258 38.258 36.565 1.693 19327 6456 1 19 . 1 1 24 24 ILE H H 24 8.873 8.873 8.836 0.037 19327 6457 1 19 . 1 1 25 25 MET N N 25 127.256 127.256 127.064 0.192 19327 6458 1 19 . 1 1 25 25 MET HA H 25 4.761 4.761 4.817 -0.056 19327 6459 1 19 . 1 1 25 25 MET C C 25 175.735 175.735 174.771 0.964 19327 6460 1 19 . 1 1 25 25 MET CA C 25 54.339 54.339 54.177 0.162 19327 6461 1 19 . 1 1 25 25 MET CB C 25 37.347 37.347 36.109 1.238 19327 6462 1 19 . 1 1 25 25 MET H H 25 8.727 8.727 8.711 0.016 19327 6463 1 19 . 1 1 26 26 LYS N N 26 123.671 123.671 119.403 4.268 19327 6464 1 19 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.571 -0.256 19327 6465 1 19 . 1 1 26 26 LYS C C 26 178.259 178.259 177.762 0.497 19327 6466 1 19 . 1 1 26 26 LYS CA C 26 56.725 56.725 55.083 1.643 19327 6467 1 19 . 1 1 26 26 LYS CB C 26 32.963 32.963 34.639 -1.676 19327 6468 1 19 . 1 1 26 26 LYS H H 26 9.189 9.189 8.491 0.698 19327 6469 1 19 . 1 1 27 27 LYS N N 27 126.369 126.369 121.575 4.794 19327 6470 1 19 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.101 -0.237 19327 6471 1 19 . 1 1 27 27 LYS C C 27 177.241 177.241 178.762 -1.521 19327 6472 1 19 . 1 1 27 27 LYS CA C 27 60.587 60.587 60.059 0.528 19327 6473 1 19 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.154 0.205 19327 6474 1 19 . 1 1 27 27 LYS H H 27 8.871 8.871 8.284 0.587 19327 6475 1 19 . 1 1 28 28 THR N N 28 107.099 107.099 113.194 -6.095 19327 6476 1 19 . 1 1 28 28 THR HA H 28 4.135 4.135 4.106 0.029 19327 6477 1 19 . 1 1 28 28 THR CA C 28 64.757 64.757 66.260 -1.502 19327 6478 1 19 . 1 1 28 28 THR CB C 28 68.084 68.084 68.030 0.054 19327 6479 1 19 . 1 1 28 28 THR H H 28 8.110 8.110 8.463 -0.353 19327 6480 1 19 . 1 1 29 29 ASP N N 29 119.543 119.543 120.060 -0.517 19327 6481 1 19 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.581 0.005 19327 6482 1 19 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.564 0.092 19327 6483 1 19 . 1 1 29 29 ASP CB C 29 40.727 40.727 41.116 -0.389 19327 6484 1 19 . 1 1 29 29 ASP H H 29 6.779 6.779 7.672 -0.893 19327 6485 1 19 . 1 1 30 30 PHE N N 30 123.437 123.437 122.263 1.174 19327 6486 1 19 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.171 -0.235 19327 6487 1 19 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.656 0.206 19327 6488 1 19 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.223 -0.193 19327 6489 1 19 . 1 1 30 30 PHE H H 30 8.633 8.633 8.156 0.477 19327 6490 1 19 . 1 1 31 31 ASP N N 31 117.040 117.040 118.957 -1.917 19327 6491 1 19 . 1 1 31 31 ASP HA H 31 4.150 4.150 3.964 0.186 19327 6492 1 19 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.928 -0.853 19327 6493 1 19 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.319 -0.333 19327 6494 1 19 . 1 1 31 31 ASP H H 31 8.650 8.650 8.385 0.265 19327 6495 1 19 . 1 1 32 32 LYS N N 32 114.800 114.800 117.603 -2.803 19327 6496 1 19 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.025 0.089 19327 6497 1 19 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.260 0.128 19327 6498 1 19 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.361 0.894 19327 6499 1 19 . 1 1 32 32 LYS H H 32 6.927 6.927 8.343 -1.416 19327 6500 1 19 . 1 1 33 33 VAL N N 33 109.380 109.380 110.187 -0.807 19327 6501 1 19 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.449 0.170 19327 6502 1 19 . 1 1 33 33 VAL CA C 33 60.060 60.060 59.927 0.133 19327 6503 1 19 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.885 0.549 19327 6504 1 19 . 1 1 33 33 VAL H H 33 7.404 7.404 7.454 -0.050 19327 6505 1 19 . 1 1 34 34 ALA N N 34 124.530 124.530 125.755 -1.225 19327 6506 1 19 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.005 0.011 19327 6507 1 19 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.957 0.307 19327 6508 1 19 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.040 1.354 19327 6509 1 19 . 1 1 34 34 ALA H H 34 6.714 6.714 7.462 -0.748 19327 6510 1 19 . 1 1 35 35 SER N N 35 110.547 110.547 112.022 -1.475 19327 6511 1 19 . 1 1 35 35 SER HA H 35 4.324 4.324 4.065 0.259 19327 6512 1 19 . 1 1 35 35 SER CA C 35 60.456 60.456 60.884 -0.428 19327 6513 1 19 . 1 1 35 35 SER CB C 35 62.536 62.536 62.740 -0.204 19327 6514 1 19 . 1 1 35 35 SER H H 35 8.121 8.121 8.289 -0.168 19327 6515 1 19 . 1 1 36 36 GLU N N 36 119.216 119.216 118.002 1.214 19327 6516 1 19 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.079 0.194 19327 6517 1 19 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.262 -0.475 19327 6518 1 19 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.647 -0.562 19327 6519 1 19 . 1 1 36 36 GLU H H 36 8.305 8.305 7.502 0.803 19327 6520 1 19 . 1 1 37 37 TYR N N 37 117.179 117.179 117.111 0.068 19327 6521 1 19 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.586 -0.436 19327 6522 1 19 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.497 1.459 19327 6523 1 19 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.149 2.091 19327 6524 1 19 . 1 1 37 37 TYR H H 37 7.922 7.922 7.655 0.267 19327 6525 1 19 . 1 1 38 38 THR N N 38 115.546 115.546 117.679 -2.133 19327 6526 1 19 . 1 1 38 38 THR HA H 38 4.843 4.843 4.870 -0.027 19327 6527 1 19 . 1 1 38 38 THR CA C 38 60.454 60.454 60.041 0.413 19327 6528 1 19 . 1 1 38 38 THR CB C 38 71.300 71.300 70.665 0.635 19327 6529 1 19 . 1 1 38 38 THR H H 38 9.483 9.483 9.179 0.304 19327 6530 1 19 . 1 1 39 39 LYS N N 39 130.415 130.415 130.948 -0.533 19327 6531 1 19 . 1 1 39 39 LYS HA H 39 3.883 3.883 4.172 -0.289 19327 6532 1 19 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.686 0.929 19327 6533 1 19 . 1 1 39 39 LYS CB C 39 32.590 32.590 32.156 0.434 19327 6534 1 19 . 1 1 39 39 LYS H H 39 9.290 9.290 9.032 0.258 19327 6535 1 19 . 1 1 40 40 ILE N N 40 122.004 122.004 122.220 -0.216 19327 6536 1 19 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.447 0.111 19327 6537 1 19 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.532 0.520 19327 6538 1 19 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.383 0.974 19327 6539 1 19 . 1 1 40 40 ILE H H 40 8.819 8.819 8.372 0.447 19327 6540 1 19 . 1 1 41 41 GLY N N 41 107.582 107.582 108.424 -0.842 19327 6541 1 19 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.263 -0.057 19327 6542 1 19 . 1 1 41 41 GLY H H 41 7.136 7.136 7.215 -0.079 19327 6543 1 19 . 1 1 42 42 THR N N 42 115.052 115.052 115.745 -0.693 19327 6544 1 19 . 1 1 42 42 THR HA H 42 5.237 5.237 4.523 0.714 19327 6545 1 19 . 1 1 42 42 THR CA C 42 60.959 60.959 61.542 -0.583 19327 6546 1 19 . 1 1 42 42 THR CB C 42 72.255 72.255 70.823 1.432 19327 6547 1 19 . 1 1 42 42 THR H H 42 8.218 8.218 8.202 0.016 19327 6548 1 19 . 1 1 43 43 ILE N N 43 118.029 118.029 122.448 -4.419 19327 6549 1 19 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.698 0.089 19327 6550 1 19 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.224 0.328 19327 6551 1 19 . 1 1 43 43 ILE CB C 43 42.701 42.701 41.394 1.307 19327 6552 1 19 . 1 1 43 43 ILE H H 43 9.129 9.129 8.771 0.358 19327 6553 1 19 . 1 1 44 44 SER N N 44 113.484 113.484 117.122 -3.638 19327 6554 1 19 . 1 1 44 44 SER HA H 44 5.252 5.252 4.911 0.341 19327 6555 1 19 . 1 1 44 44 SER CA C 44 56.792 56.792 56.583 0.209 19327 6556 1 19 . 1 1 44 44 SER CB C 44 66.063 66.063 66.288 -0.225 19327 6557 1 19 . 1 1 44 44 SER H H 44 8.335 8.335 8.373 -0.038 19327 6558 1 19 . 1 1 45 45 THR N N 45 113.454 113.454 115.201 -1.747 19327 6559 1 19 . 1 1 45 45 THR HA H 45 4.555 4.555 4.649 -0.094 19327 6560 1 19 . 1 1 45 45 THR CA C 45 60.871 60.871 61.464 -0.593 19327 6561 1 19 . 1 1 45 45 THR CB C 45 70.060 70.060 69.442 0.618 19327 6562 1 19 . 1 1 45 45 THR H H 45 8.375 8.375 8.311 0.064 19327 6563 1 19 . 1 1 46 46 THR N N 46 117.848 117.848 117.717 0.131 19327 6564 1 19 . 1 1 46 46 THR HA H 46 4.401 4.401 4.158 0.243 19327 6565 1 19 . 1 1 46 46 THR CA C 46 62.097 62.097 62.027 0.070 19327 6566 1 19 . 1 1 46 46 THR CB C 46 69.387 69.387 67.717 1.670 19327 6567 1 19 . 1 1 46 46 THR H H 46 8.542 8.542 8.386 0.156 19327 6568 1 19 . 1 1 47 47 GLY N N 47 111.660 111.660 114.279 -2.619 19327 6569 1 19 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.218 0.665 19327 6570 1 19 . 1 1 47 47 GLY H H 47 8.325 8.325 7.816 0.509 19327 6571 1 19 . 1 1 48 48 GLU N N 48 120.153 120.153 121.936 -1.783 19327 6572 1 19 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.250 0.146 19327 6573 1 19 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.674 -0.970 19327 6574 1 19 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.855 -0.261 19327 6575 1 19 . 1 1 48 48 GLU H H 48 8.437 8.437 8.485 -0.048 19327 6576 1 19 . 1 1 49 49 MET N N 49 120.146 120.146 123.623 -3.477 19327 6577 1 19 . 1 1 49 49 MET HA H 49 4.696 4.696 4.640 0.056 19327 6578 1 19 . 1 1 49 49 MET CA C 49 55.028 55.028 54.152 0.876 19327 6579 1 19 . 1 1 49 49 MET CB C 49 36.079 36.079 36.220 -0.141 19327 6580 1 19 . 1 1 49 49 MET H H 49 8.390 8.390 8.141 0.249 19327 6581 1 19 . 1 1 50 50 SER N N 50 118.105 118.105 119.024 -0.919 19327 6582 1 19 . 1 1 50 50 SER HA H 50 4.780 4.780 4.449 0.331 19327 6583 1 19 . 1 1 50 50 SER CA C 50 56.822 56.822 57.372 -0.550 19327 6584 1 19 . 1 1 50 50 SER CB C 50 62.631 62.631 63.158 -0.527 19327 6585 1 19 . 1 1 50 50 SER H H 50 9.023 9.023 8.519 0.504 19327 6586 1 19 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.078 0.163 19327 6587 1 19 . 1 1 51 51 PRO CA C 51 66.078 66.078 66.105 -0.027 19327 6588 1 19 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.668 0.340 19327 6589 1 19 . 1 1 52 52 LEU N N 52 117.624 117.624 115.366 2.258 19327 6590 1 19 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.172 -0.060 19327 6591 1 19 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.838 0.110 19327 6592 1 19 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.812 0.780 19327 6593 1 19 . 1 1 52 52 LEU H H 52 8.169 8.169 7.989 0.180 19327 6594 1 19 . 1 1 53 53 ASP N N 53 120.042 120.042 119.810 0.232 19327 6595 1 19 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.596 -0.174 19327 6596 1 19 . 1 1 53 53 ASP CA C 53 56.748 56.748 56.934 -0.186 19327 6597 1 19 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.904 -1.065 19327 6598 1 19 . 1 1 53 53 ASP H H 53 7.515 7.515 7.920 -0.405 19327 6599 1 19 . 1 1 54 54 ALA N N 54 123.542 123.542 122.685 0.857 19327 6600 1 19 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.997 0.213 19327 6601 1 19 . 1 1 54 54 ALA CA C 54 54.800 54.800 54.970 -0.170 19327 6602 1 19 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.522 -0.080 19327 6603 1 19 . 1 1 54 54 ALA H H 54 8.806 8.806 8.094 0.712 19327 6604 1 19 . 1 1 55 55 ARG N N 55 117.281 117.281 118.560 -1.279 19327 6605 1 19 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.912 -0.170 19327 6606 1 19 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.893 0.408 19327 6607 1 19 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.059 0.208 19327 6608 1 19 . 1 1 55 55 ARG H H 55 7.869 7.869 7.870 -0.001 19327 6609 1 19 . 1 1 56 56 GLU N N 56 116.048 116.048 118.352 -2.304 19327 6610 1 19 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.060 -0.051 19327 6611 1 19 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.190 -0.350 19327 6612 1 19 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.288 -0.598 19327 6613 1 19 . 1 1 56 56 GLU H H 56 7.638 7.638 7.689 -0.051 19327 6614 1 19 . 1 1 57 57 ASP N N 57 120.238 120.238 121.339 -1.101 19327 6615 1 19 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.463 -0.079 19327 6616 1 19 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.105 0.369 19327 6617 1 19 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.873 1.659 19327 6618 1 19 . 1 1 57 57 ASP H H 57 8.126 8.126 7.648 0.478 19327 6619 1 19 . 1 1 58 58 LEU N N 58 117.410 117.410 119.868 -2.458 19327 6620 1 19 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.890 -0.029 19327 6621 1 19 . 1 1 58 58 LEU CA C 58 57.596 57.596 58.140 -0.544 19327 6622 1 19 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.877 -0.263 19327 6623 1 19 . 1 1 58 58 LEU H H 58 8.172 8.172 7.869 0.303 19327 6624 1 19 . 1 1 59 59 ILE N N 59 118.841 118.841 119.468 -0.627 19327 6625 1 19 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.456 -0.153 19327 6626 1 19 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.623 0.135 19327 6627 1 19 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.506 0.057 19327 6628 1 19 . 1 1 59 59 ILE H H 59 8.028 8.028 8.250 -0.222 19327 6629 1 19 . 1 1 60 60 LYS N N 60 119.525 119.525 120.267 -0.742 19327 6630 1 19 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.839 0.255 19327 6631 1 19 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.148 -0.395 19327 6632 1 19 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.303 -0.168 19327 6633 1 19 . 1 1 60 60 LYS H H 60 7.895 7.895 7.861 0.034 19327 6634 1 19 . 1 1 61 61 LYS N N 61 119.257 119.257 118.101 1.156 19327 6635 1 19 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.273 -0.286 19327 6636 1 19 . 1 1 61 61 LYS CA C 61 59.274 59.274 58.860 0.414 19327 6637 1 19 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.078 1.466 19327 6638 1 19 . 1 1 61 61 LYS H H 61 8.086 8.086 7.901 0.185 19327 6639 1 19 . 1 1 62 62 ALA N N 62 122.326 122.326 121.972 0.354 19327 6640 1 19 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.058 -0.285 19327 6641 1 19 . 1 1 62 62 ALA CA C 62 55.037 55.037 54.928 0.109 19327 6642 1 19 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.277 0.825 19327 6643 1 19 . 1 1 62 62 ALA H H 62 8.489 8.489 7.962 0.527 19327 6644 1 19 . 1 1 63 63 ASP N N 63 120.381 120.381 118.795 1.586 19327 6645 1 19 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.348 0.247 19327 6646 1 19 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.208 -0.128 19327 6647 1 19 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.140 -2.111 19327 6648 1 19 . 1 1 63 63 ASP H H 63 8.855 8.855 8.311 0.544 19327 6649 1 19 . 1 1 64 64 GLU N N 64 121.428 121.428 119.118 2.310 19327 6650 1 19 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.056 0.021 19327 6651 1 19 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.558 0.337 19327 6652 1 19 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.737 -0.613 19327 6653 1 19 . 1 1 64 64 GLU H H 64 8.053 8.053 7.905 0.148 19327 6654 1 19 . 1 1 65 65 LYS N N 65 115.778 115.778 115.868 -0.090 19327 6655 1 19 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.296 0.024 19327 6656 1 19 . 1 1 65 65 LYS CA C 65 54.830 54.830 56.477 -1.647 19327 6657 1 19 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.994 0.025 19327 6658 1 19 . 1 1 65 65 LYS H H 65 7.186 7.186 7.784 -0.598 19327 6659 1 19 . 1 1 66 66 GLY N N 66 107.578 107.578 106.164 1.414 19327 6660 1 19 . 1 1 66 66 GLY CA C 66 45.822 45.822 44.924 0.898 19327 6661 1 19 . 1 1 66 66 GLY H H 66 7.873 7.873 7.515 0.358 19327 6662 1 19 . 1 1 67 67 ALA N N 67 119.025 119.025 123.134 -4.109 19327 6663 1 19 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.140 -0.118 19327 6664 1 19 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.319 -0.619 19327 6665 1 19 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.433 1.777 19327 6666 1 19 . 1 1 67 67 ALA H H 67 7.927 7.927 7.762 0.165 19327 6667 1 19 . 1 1 68 68 ASP N N 68 116.686 116.686 124.329 -7.643 19327 6668 1 19 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.529 0.542 19327 6669 1 19 . 1 1 68 68 ASP CA C 68 56.601 56.601 58.051 -1.450 19327 6670 1 19 . 1 1 68 68 ASP CB C 68 45.008 45.008 41.905 3.103 19327 6671 1 19 . 1 1 68 68 ASP H H 68 8.793 8.793 8.394 0.399 19327 6672 1 19 . 1 1 69 69 VAL N N 69 118.623 118.623 117.408 1.215 19327 6673 1 19 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.473 0.657 19327 6674 1 19 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.976 -0.546 19327 6675 1 19 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.483 2.120 19327 6676 1 19 . 1 1 69 69 VAL H H 69 8.076 8.076 8.009 0.067 19327 6677 1 19 . 1 1 70 70 VAL N N 70 127.358 127.358 125.681 1.677 19327 6678 1 19 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.990 -0.430 19327 6679 1 19 . 1 1 70 70 VAL CA C 70 59.943 59.943 60.076 -0.133 19327 6680 1 19 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.796 1.637 19327 6681 1 19 . 1 1 70 70 VAL H H 70 8.724 8.724 8.580 0.144 19327 6682 1 19 . 1 1 71 71 VAL N N 71 126.739 126.739 127.573 -0.834 19327 6683 1 19 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.643 -0.087 19327 6684 1 19 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.244 0.608 19327 6685 1 19 . 1 1 71 71 VAL CB C 71 34.062 34.062 33.621 0.441 19327 6686 1 19 . 1 1 71 71 VAL H H 71 8.891 8.891 8.865 0.026 19327 6687 1 19 . 1 1 72 72 LEU N N 72 127.581 127.581 129.192 -1.611 19327 6688 1 19 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.367 0.081 19327 6689 1 19 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.598 0.122 19327 6690 1 19 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.833 1.798 19327 6691 1 19 . 1 1 72 72 LEU H H 72 8.802 8.802 8.748 0.054 19327 6692 1 19 . 1 1 73 73 THR N N 73 114.207 114.207 117.832 -3.625 19327 6693 1 19 . 1 1 73 73 THR HA H 73 4.420 4.420 4.196 0.224 19327 6694 1 19 . 1 1 73 73 THR CA C 73 61.516 61.516 63.721 -2.205 19327 6695 1 19 . 1 1 73 73 THR CB C 73 69.462 69.462 69.149 0.313 19327 6696 1 19 . 1 1 73 73 THR H H 73 8.631 8.631 8.293 0.338 19327 6697 1 19 . 1 1 74 74 SER N N 74 116.164 116.164 118.353 -2.189 19327 6698 1 19 . 1 1 74 74 SER HA H 74 4.542 4.542 4.408 0.134 19327 6699 1 19 . 1 1 74 74 SER CA C 74 58.066 58.066 59.066 -1.000 19327 6700 1 19 . 1 1 74 74 SER CB C 74 63.962 63.962 63.910 0.052 19327 6701 1 19 . 1 1 74 74 SER H H 74 8.137 8.137 7.597 0.540 19327 6702 1 19 . 1 1 75 75 GLY N N 75 110.048 110.048 112.850 -2.802 19327 6703 1 19 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.572 0.713 19327 6704 1 19 . 1 1 75 75 GLY H H 75 8.574 8.574 8.501 0.073 19327 6705 1 19 . 1 1 76 76 GLN N N 76 119.520 119.520 122.959 -3.439 19327 6706 1 19 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.280 0.219 19327 6707 1 19 . 1 1 76 76 GLN CA C 76 55.969 55.969 55.757 0.212 19327 6708 1 19 . 1 1 76 76 GLN CB C 76 29.761 29.761 27.055 2.706 19327 6709 1 19 . 1 1 76 76 GLN H H 76 8.393 8.393 8.762 -0.369 19327 6710 1 19 . 1 1 77 77 THR N N 77 113.213 113.213 116.173 -2.960 19327 6711 1 19 . 1 1 77 77 THR HA H 77 4.432 4.432 4.301 0.131 19327 6712 1 19 . 1 1 77 77 THR CA C 77 61.408 61.408 63.745 -2.337 19327 6713 1 19 . 1 1 77 77 THR CB C 77 69.786 69.786 69.255 0.531 19327 6714 1 19 . 1 1 77 77 THR H H 77 8.105 8.105 7.939 0.166 19327 6715 1 19 . 1 1 78 78 GLU N N 78 120.912 120.912 118.773 2.139 19327 6716 1 19 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.911 0.337 19327 6717 1 19 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.978 -1.988 19327 6718 1 19 . 1 1 78 78 GLU CB C 78 29.789 29.789 27.824 1.965 19327 6719 1 19 . 1 1 78 78 GLU H H 78 8.454 8.454 8.764 -0.310 19327 6720 1 19 . 1 1 79 79 ASN N N 79 117.094 117.094 118.886 -1.792 19327 6721 1 19 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.538 0.067 19327 6722 1 19 . 1 1 79 79 ASN CA C 79 53.760 53.760 55.059 -1.299 19327 6723 1 19 . 1 1 79 79 ASN CB C 79 38.731 38.731 39.050 -0.320 19327 6724 1 19 . 1 1 79 79 ASN H H 79 8.329 8.329 8.133 0.196 19327 6725 1 19 . 1 1 80 80 LYS N N 80 118.942 118.942 120.310 -1.368 19327 6726 1 19 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.493 -0.186 19327 6727 1 19 . 1 1 80 80 LYS CA C 80 56.116 56.116 55.899 0.217 19327 6728 1 19 . 1 1 80 80 LYS CB C 80 33.378 33.378 32.194 1.184 19327 6729 1 19 . 1 1 80 80 LYS H H 80 7.910 7.910 7.925 -0.015 19327 6730 1 19 . 1 1 81 81 ILE N N 81 119.677 119.677 122.082 -2.405 19327 6731 1 19 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.550 -0.244 19327 6732 1 19 . 1 1 81 81 ILE CA C 81 60.526 60.526 60.037 0.489 19327 6733 1 19 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.489 -0.439 19327 6734 1 19 . 1 1 81 81 ILE H H 81 8.341 8.341 8.273 0.068 19327 6735 1 19 . 1 1 82 82 HIS N N 82 121.812 121.812 120.687 1.125 19327 6736 1 19 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.583 0.193 19327 6737 1 19 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.136 -1.452 19327 6738 1 19 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.528 -1.598 19327 6739 1 19 . 1 1 82 82 HIS H H 82 8.472 8.472 8.726 -0.254 19327 6740 1 19 . 1 1 83 83 GLY N N 83 111.641 111.641 108.980 2.661 19327 6741 1 19 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.597 0.527 19327 6742 1 19 . 1 1 83 83 GLY H H 83 8.334 8.334 7.382 0.952 19327 6743 1 19 . 1 1 84 84 THR N N 84 112.460 112.460 119.033 -6.573 19327 6744 1 19 . 1 1 84 84 THR HA H 84 5.037 5.037 4.920 0.117 19327 6745 1 19 . 1 1 84 84 THR CA C 84 60.301 60.301 61.955 -1.654 19327 6746 1 19 . 1 1 84 84 THR CB C 84 72.048 72.048 71.863 0.185 19327 6747 1 19 . 1 1 84 84 THR H H 84 8.125 8.125 8.004 0.121 19327 6748 1 19 . 1 1 85 85 ALA N N 85 122.513 122.513 126.895 -4.382 19327 6749 1 19 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.021 -0.062 19327 6750 1 19 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.800 0.470 19327 6751 1 19 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.636 1.207 19327 6752 1 19 . 1 1 85 85 ALA H H 85 8.841 8.841 8.994 -0.153 19327 6753 1 19 . 1 1 86 86 ASP N N 86 121.651 121.651 122.829 -1.178 19327 6754 1 19 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.678 0.520 19327 6755 1 19 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.829 -1.352 19327 6756 1 19 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.108 1.221 19327 6757 1 19 . 1 1 86 86 ASP H H 86 8.506 8.506 8.259 0.247 19327 6758 1 19 . 1 1 87 87 ILE N N 87 111.376 111.376 115.045 -3.669 19327 6759 1 19 . 1 1 87 87 ILE HA H 87 5.379 5.379 4.818 0.561 19327 6760 1 19 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.919 -1.730 19327 6761 1 19 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.514 1.875 19327 6762 1 19 . 1 1 87 87 ILE H H 87 7.966 7.966 7.861 0.105 19327 6763 1 19 . 1 1 88 88 TYR N N 88 118.138 118.138 124.571 -6.433 19327 6764 1 19 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.571 -0.128 19327 6765 1 19 . 1 1 88 88 TYR CA C 88 57.017 57.017 55.989 1.028 19327 6766 1 19 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.741 1.433 19327 6767 1 19 . 1 1 88 88 TYR H H 88 8.754 8.754 8.886 -0.132 19327 6768 1 19 . 1 1 89 89 LYS N N 89 123.705 123.705 120.781 2.924 19327 6769 1 19 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.057 0.120 19327 6770 1 19 . 1 1 89 89 LYS CA C 89 54.466 54.466 53.657 0.809 19327 6771 1 19 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.032 2.106 19327 6772 1 19 . 1 1 89 89 LYS H H 89 9.595 9.595 8.904 0.691 19327 6773 1 19 . 1 1 90 90 LYS N N 90 129.328 129.328 125.844 3.484 19327 6774 1 19 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.616 -0.796 19327 6775 1 19 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.471 1.195 19327 6776 1 19 . 1 1 90 90 LYS CB C 90 32.827 32.827 32.809 0.018 19327 6777 1 19 . 1 1 90 90 LYS H H 90 10.195 10.195 8.843 1.352 19327 6778 1 19 . 1 1 91 91 LYS N N 91 126.034 126.034 128.476 -2.442 19327 6779 1 19 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.146 -0.036 19327 6780 1 19 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.342 0.983 19327 6781 1 19 . 1 1 91 91 LYS CB C 91 33.325 33.325 31.129 2.196 19327 6782 1 19 . 1 1 91 91 LYS H H 91 8.459 8.459 8.364 0.095 19327 6783 1 19 . 1 1 92 92 LEU N N 92 123.360 123.360 123.347 0.013 19327 6784 1 19 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.450 -0.165 19327 6785 1 19 . 1 1 92 92 LEU CA C 92 54.817 54.817 53.659 1.158 19327 6786 1 19 . 1 1 92 92 LEU CB C 92 42.315 42.315 39.451 2.864 19327 6787 1 19 . 1 1 92 92 LEU H H 92 8.266 8.266 8.220 0.046 19327 6788 1 19 . 1 1 93 93 GLU N N 93 121.993 121.993 123.666 -1.673 19327 6789 1 19 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.170 0.054 19327 6790 1 19 . 1 1 93 93 GLU CA C 93 55.832 55.832 58.061 -2.229 19327 6791 1 19 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.346 0.079 19327 6792 1 19 . 1 1 93 93 GLU H H 93 8.311 8.311 8.136 0.175 19327 6793 1 19 . 1 1 94 94 HIS N N 94 119.802 119.802 116.415 3.387 19327 6794 1 19 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.696 -0.060 19327 6795 1 19 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.274 -1.215 19327 6796 1 19 . 1 1 94 94 HIS CB C 94 29.131 29.131 29.527 -0.396 19327 6797 1 19 . 1 1 94 94 HIS H H 94 8.567 8.567 8.128 0.439 19327 6798 1 19 . 1 1 95 95 HIS N N 95 119.430 119.430 123.436 -4.006 19327 6799 1 19 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.706 -0.069 19327 6800 1 19 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.568 -1.394 19327 6801 1 19 . 1 1 95 95 HIS CB C 95 29.082 29.082 31.188 -2.106 19327 6802 1 19 . 1 1 95 95 HIS H H 95 8.600 8.600 8.219 0.381 19327 6803 1 20 . 1 1 23 23 GLU N N 23 117.829 117.829 119.594 -1.765 19327 6804 1 20 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.721 -0.008 19327 6805 1 20 . 1 1 23 23 GLU C C 23 174.825 174.825 175.220 -0.395 19327 6806 1 20 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.482 -0.119 19327 6807 1 20 . 1 1 23 23 GLU CB C 23 32.640 32.640 32.494 0.146 19327 6808 1 20 . 1 1 23 23 GLU H H 23 7.921 7.921 8.448 -0.527 19327 6809 1 20 . 1 1 24 24 ILE N N 24 123.913 123.913 122.745 1.168 19327 6810 1 20 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.368 0.503 19327 6811 1 20 . 1 1 24 24 ILE C C 24 176.427 176.427 175.811 0.616 19327 6812 1 20 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.530 -0.242 19327 6813 1 20 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.766 0.492 19327 6814 1 20 . 1 1 24 24 ILE H H 24 8.873 8.873 8.571 0.302 19327 6815 1 20 . 1 1 25 25 MET N N 25 127.256 127.256 127.551 -0.295 19327 6816 1 20 . 1 1 25 25 MET HA H 25 4.761 4.761 4.765 -0.004 19327 6817 1 20 . 1 1 25 25 MET C C 25 175.735 175.735 174.892 0.843 19327 6818 1 20 . 1 1 25 25 MET CA C 25 54.339 54.339 53.390 0.949 19327 6819 1 20 . 1 1 25 25 MET CB C 25 37.347 37.347 35.927 1.420 19327 6820 1 20 . 1 1 25 25 MET H H 25 8.727 8.727 8.981 -0.254 19327 6821 1 20 . 1 1 26 26 LYS N N 26 123.671 123.671 124.435 -0.764 19327 6822 1 20 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.151 0.164 19327 6823 1 20 . 1 1 26 26 LYS C C 26 178.259 178.259 177.432 0.827 19327 6824 1 20 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.757 -0.032 19327 6825 1 20 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.165 -0.202 19327 6826 1 20 . 1 1 26 26 LYS H H 26 9.189 9.189 8.820 0.369 19327 6827 1 20 . 1 1 27 27 LYS N N 27 126.369 126.369 123.530 2.839 19327 6828 1 20 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.035 -0.171 19327 6829 1 20 . 1 1 27 27 LYS C C 27 177.241 177.241 178.660 -1.419 19327 6830 1 20 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.549 1.038 19327 6831 1 20 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.131 0.228 19327 6832 1 20 . 1 1 27 27 LYS H H 27 8.871 8.871 8.354 0.517 19327 6833 1 20 . 1 1 28 28 THR N N 28 107.099 107.099 114.346 -7.247 19327 6834 1 20 . 1 1 28 28 THR HA H 28 4.135 4.135 4.027 0.108 19327 6835 1 20 . 1 1 28 28 THR CA C 28 64.757 64.757 66.869 -2.112 19327 6836 1 20 . 1 1 28 28 THR CB C 28 68.084 68.084 68.326 -0.242 19327 6837 1 20 . 1 1 28 28 THR H H 28 8.110 8.110 8.364 -0.254 19327 6838 1 20 . 1 1 29 29 ASP N N 29 119.543 119.543 121.376 -1.833 19327 6839 1 20 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.439 0.147 19327 6840 1 20 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.862 -0.206 19327 6841 1 20 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.872 -0.145 19327 6842 1 20 . 1 1 29 29 ASP H H 29 6.779 6.779 7.635 -0.856 19327 6843 1 20 . 1 1 30 30 PHE N N 30 123.437 123.437 120.108 3.329 19327 6844 1 20 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.096 -0.160 19327 6845 1 20 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.579 0.283 19327 6846 1 20 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.215 -0.185 19327 6847 1 20 . 1 1 30 30 PHE H H 30 8.633 8.633 8.269 0.364 19327 6848 1 20 . 1 1 31 31 ASP N N 31 117.040 117.040 119.219 -2.179 19327 6849 1 20 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.101 0.049 19327 6850 1 20 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.823 -0.748 19327 6851 1 20 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.678 -0.692 19327 6852 1 20 . 1 1 31 31 ASP H H 31 8.650 8.650 8.311 0.339 19327 6853 1 20 . 1 1 32 32 LYS N N 32 114.800 114.800 119.369 -4.569 19327 6854 1 20 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.026 0.088 19327 6855 1 20 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.545 -0.158 19327 6856 1 20 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.194 1.061 19327 6857 1 20 . 1 1 32 32 LYS H H 32 6.927 6.927 8.086 -1.159 19327 6858 1 20 . 1 1 33 33 VAL N N 33 109.380 109.380 112.473 -3.093 19327 6859 1 20 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.441 0.178 19327 6860 1 20 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.155 -0.095 19327 6861 1 20 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.147 1.287 19327 6862 1 20 . 1 1 33 33 VAL H H 33 7.404 7.404 7.515 -0.111 19327 6863 1 20 . 1 1 34 34 ALA N N 34 124.530 124.530 126.111 -1.581 19327 6864 1 20 . 1 1 34 34 ALA HA H 34 3.016 3.016 2.662 0.354 19327 6865 1 20 . 1 1 34 34 ALA CA C 34 55.264 55.264 54.981 0.283 19327 6866 1 20 . 1 1 34 34 ALA CB C 34 19.394 19.394 17.771 1.623 19327 6867 1 20 . 1 1 34 34 ALA H H 34 6.714 6.714 7.458 -0.744 19327 6868 1 20 . 1 1 35 35 SER N N 35 110.547 110.547 112.208 -1.661 19327 6869 1 20 . 1 1 35 35 SER HA H 35 4.324 4.324 4.188 0.136 19327 6870 1 20 . 1 1 35 35 SER CA C 35 60.456 60.456 60.443 0.013 19327 6871 1 20 . 1 1 35 35 SER CB C 35 62.536 62.536 62.743 -0.207 19327 6872 1 20 . 1 1 35 35 SER H H 35 8.121 8.121 8.384 -0.263 19327 6873 1 20 . 1 1 36 36 GLU N N 36 119.216 119.216 118.621 0.595 19327 6874 1 20 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.143 0.130 19327 6875 1 20 . 1 1 36 36 GLU CA C 36 55.787 55.787 56.035 -0.248 19327 6876 1 20 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.424 -0.339 19327 6877 1 20 . 1 1 36 36 GLU H H 36 8.305 8.305 7.623 0.682 19327 6878 1 20 . 1 1 37 37 TYR N N 37 117.179 117.179 117.767 -0.588 19327 6879 1 20 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.444 -0.294 19327 6880 1 20 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.889 1.067 19327 6881 1 20 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.467 1.773 19327 6882 1 20 . 1 1 37 37 TYR H H 37 7.922 7.922 7.751 0.171 19327 6883 1 20 . 1 1 38 38 THR N N 38 115.546 115.546 115.817 -0.271 19327 6884 1 20 . 1 1 38 38 THR HA H 38 4.843 4.843 4.782 0.061 19327 6885 1 20 . 1 1 38 38 THR CA C 38 60.454 60.454 59.644 0.810 19327 6886 1 20 . 1 1 38 38 THR CB C 38 71.300 71.300 70.372 0.928 19327 6887 1 20 . 1 1 38 38 THR H H 38 9.483 9.483 9.013 0.470 19327 6888 1 20 . 1 1 39 39 LYS N N 39 130.415 130.415 130.851 -0.436 19327 6889 1 20 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.503 0.380 19327 6890 1 20 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.681 0.934 19327 6891 1 20 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.788 0.802 19327 6892 1 20 . 1 1 39 39 LYS H H 39 9.290 9.290 8.894 0.396 19327 6893 1 20 . 1 1 40 40 ILE N N 40 122.004 122.004 122.263 -0.259 19327 6894 1 20 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.394 0.164 19327 6895 1 20 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.426 0.626 19327 6896 1 20 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.349 1.008 19327 6897 1 20 . 1 1 40 40 ILE H H 40 8.819 8.819 8.231 0.588 19327 6898 1 20 . 1 1 41 41 GLY N N 41 107.582 107.582 107.358 0.224 19327 6899 1 20 . 1 1 41 41 GLY CA C 41 45.206 45.206 44.981 0.225 19327 6900 1 20 . 1 1 41 41 GLY H H 41 7.136 7.136 7.195 -0.059 19327 6901 1 20 . 1 1 42 42 THR N N 42 115.052 115.052 115.569 -0.517 19327 6902 1 20 . 1 1 42 42 THR HA H 42 5.237 5.237 4.680 0.557 19327 6903 1 20 . 1 1 42 42 THR CA C 42 60.959 60.959 61.343 -0.384 19327 6904 1 20 . 1 1 42 42 THR CB C 42 72.255 72.255 70.443 1.812 19327 6905 1 20 . 1 1 42 42 THR H H 42 8.218 8.218 8.220 -0.002 19327 6906 1 20 . 1 1 43 43 ILE N N 43 118.029 118.029 122.903 -4.874 19327 6907 1 20 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.837 -0.050 19327 6908 1 20 . 1 1 43 43 ILE CA C 43 59.552 59.552 58.982 0.570 19327 6909 1 20 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.538 2.163 19327 6910 1 20 . 1 1 43 43 ILE H H 43 9.129 9.129 8.947 0.182 19327 6911 1 20 . 1 1 44 44 SER N N 44 113.484 113.484 115.714 -2.230 19327 6912 1 20 . 1 1 44 44 SER HA H 44 5.252 5.252 4.931 0.321 19327 6913 1 20 . 1 1 44 44 SER CA C 44 56.792 56.792 56.704 0.088 19327 6914 1 20 . 1 1 44 44 SER CB C 44 66.063 66.063 66.075 -0.012 19327 6915 1 20 . 1 1 44 44 SER H H 44 8.335 8.335 8.312 0.023 19327 6916 1 20 . 1 1 45 45 THR N N 45 113.454 113.454 112.376 1.078 19327 6917 1 20 . 1 1 45 45 THR HA H 45 4.555 4.555 4.516 0.039 19327 6918 1 20 . 1 1 45 45 THR CA C 45 60.871 60.871 60.651 0.220 19327 6919 1 20 . 1 1 45 45 THR CB C 45 70.060 70.060 70.344 -0.284 19327 6920 1 20 . 1 1 45 45 THR H H 45 8.375 8.375 7.516 0.859 19327 6921 1 20 . 1 1 46 46 THR N N 46 117.848 117.848 120.045 -2.197 19327 6922 1 20 . 1 1 46 46 THR HA H 46 4.401 4.401 4.261 0.140 19327 6923 1 20 . 1 1 46 46 THR CA C 46 62.097 62.097 62.824 -0.727 19327 6924 1 20 . 1 1 46 46 THR CB C 46 69.387 69.387 67.726 1.661 19327 6925 1 20 . 1 1 46 46 THR H H 46 8.542 8.542 8.600 -0.058 19327 6926 1 20 . 1 1 47 47 GLY N N 47 111.660 111.660 115.083 -3.423 19327 6927 1 20 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.479 0.404 19327 6928 1 20 . 1 1 47 47 GLY H H 47 8.325 8.325 7.647 0.678 19327 6929 1 20 . 1 1 48 48 GLU N N 48 120.153 120.153 121.877 -1.724 19327 6930 1 20 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.703 -0.307 19327 6931 1 20 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.351 -0.647 19327 6932 1 20 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.162 0.432 19327 6933 1 20 . 1 1 48 48 GLU H H 48 8.437 8.437 8.457 -0.020 19327 6934 1 20 . 1 1 49 49 MET N N 49 120.146 120.146 123.803 -3.657 19327 6935 1 20 . 1 1 49 49 MET HA H 49 4.696 4.696 4.671 0.025 19327 6936 1 20 . 1 1 49 49 MET CA C 49 55.028 55.028 54.465 0.563 19327 6937 1 20 . 1 1 49 49 MET CB C 49 36.079 36.079 35.635 0.444 19327 6938 1 20 . 1 1 49 49 MET H H 49 8.390 8.390 7.902 0.488 19327 6939 1 20 . 1 1 50 50 SER N N 50 118.105 118.105 117.691 0.414 19327 6940 1 20 . 1 1 50 50 SER HA H 50 4.780 4.780 4.444 0.336 19327 6941 1 20 . 1 1 50 50 SER CA C 50 56.822 56.822 57.312 -0.490 19327 6942 1 20 . 1 1 50 50 SER CB C 50 62.631 62.631 62.658 -0.027 19327 6943 1 20 . 1 1 50 50 SER H H 50 9.023 9.023 8.699 0.324 19327 6944 1 20 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.173 0.068 19327 6945 1 20 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.511 0.567 19327 6946 1 20 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.874 0.133 19327 6947 1 20 . 1 1 52 52 LEU N N 52 117.624 117.624 117.407 0.217 19327 6948 1 20 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.068 0.044 19327 6949 1 20 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.198 0.750 19327 6950 1 20 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.749 0.843 19327 6951 1 20 . 1 1 52 52 LEU H H 52 8.169 8.169 8.086 0.083 19327 6952 1 20 . 1 1 53 53 ASP N N 53 120.042 120.042 120.006 0.036 19327 6953 1 20 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.551 -0.129 19327 6954 1 20 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.556 -0.808 19327 6955 1 20 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.843 -1.003 19327 6956 1 20 . 1 1 53 53 ASP H H 53 7.515 7.515 8.488 -0.973 19327 6957 1 20 . 1 1 54 54 ALA N N 54 123.542 123.542 122.309 1.233 19327 6958 1 20 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.983 0.227 19327 6959 1 20 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.024 -0.224 19327 6960 1 20 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.540 -0.098 19327 6961 1 20 . 1 1 54 54 ALA H H 54 8.806 8.806 8.204 0.602 19327 6962 1 20 . 1 1 55 55 ARG N N 55 117.281 117.281 118.745 -1.464 19327 6963 1 20 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.900 -0.158 19327 6964 1 20 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.933 0.368 19327 6965 1 20 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.098 0.169 19327 6966 1 20 . 1 1 55 55 ARG H H 55 7.869 7.869 7.780 0.089 19327 6967 1 20 . 1 1 56 56 GLU N N 56 116.048 116.048 119.070 -3.022 19327 6968 1 20 . 1 1 56 56 GLU HA H 56 4.009 4.009 3.995 0.014 19327 6969 1 20 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.335 -0.495 19327 6970 1 20 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.345 -0.655 19327 6971 1 20 . 1 1 56 56 GLU H H 56 7.638 7.638 8.195 -0.557 19327 6972 1 20 . 1 1 57 57 ASP N N 57 120.238 120.238 120.481 -0.243 19327 6973 1 20 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.461 -0.077 19327 6974 1 20 . 1 1 57 57 ASP CA C 57 57.474 57.474 56.958 0.516 19327 6975 1 20 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.828 1.704 19327 6976 1 20 . 1 1 57 57 ASP H H 57 8.126 8.126 7.859 0.267 19327 6977 1 20 . 1 1 58 58 LEU N N 58 117.410 117.410 119.865 -2.455 19327 6978 1 20 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.944 -0.083 19327 6979 1 20 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.942 -0.346 19327 6980 1 20 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.966 -0.352 19327 6981 1 20 . 1 1 58 58 LEU H H 58 8.172 8.172 7.955 0.217 19327 6982 1 20 . 1 1 59 59 ILE N N 59 118.841 118.841 119.682 -0.841 19327 6983 1 20 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.538 -0.235 19327 6984 1 20 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.615 0.142 19327 6985 1 20 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.529 0.034 19327 6986 1 20 . 1 1 59 59 ILE H H 59 8.028 8.028 8.259 -0.231 19327 6987 1 20 . 1 1 60 60 LYS N N 60 119.525 119.525 120.391 -0.866 19327 6988 1 20 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.858 0.236 19327 6989 1 20 . 1 1 60 60 LYS CA C 60 59.753 59.753 60.065 -0.312 19327 6990 1 20 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.276 -0.141 19327 6991 1 20 . 1 1 60 60 LYS H H 60 7.895 7.895 8.056 -0.161 19327 6992 1 20 . 1 1 61 61 LYS N N 61 119.257 119.257 118.746 0.511 19327 6993 1 20 . 1 1 61 61 LYS HA H 61 3.987 3.987 3.963 0.024 19327 6994 1 20 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.460 -0.186 19327 6995 1 20 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.286 1.258 19327 6996 1 20 . 1 1 61 61 LYS H H 61 8.086 8.086 7.996 0.090 19327 6997 1 20 . 1 1 62 62 ALA N N 62 122.326 122.326 121.115 1.211 19327 6998 1 20 . 1 1 62 62 ALA HA H 62 3.773 3.773 3.962 -0.189 19327 6999 1 20 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.080 -0.043 19327 7000 1 20 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.372 0.730 19327 7001 1 20 . 1 1 62 62 ALA H H 62 8.489 8.489 8.098 0.391 19327 7002 1 20 . 1 1 63 63 ASP N N 63 120.381 120.381 118.826 1.555 19327 7003 1 20 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.407 0.188 19327 7004 1 20 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.063 0.017 19327 7005 1 20 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.075 -2.046 19327 7006 1 20 . 1 1 63 63 ASP H H 63 8.855 8.855 8.116 0.739 19327 7007 1 20 . 1 1 64 64 GLU N N 64 121.428 121.428 120.202 1.226 19327 7008 1 20 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.099 -0.022 19327 7009 1 20 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.575 0.320 19327 7010 1 20 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.432 -0.308 19327 7011 1 20 . 1 1 64 64 GLU H H 64 8.053 8.053 8.059 -0.006 19327 7012 1 20 . 1 1 65 65 LYS N N 65 115.778 115.778 115.399 0.379 19327 7013 1 20 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.429 -0.109 19327 7014 1 20 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.376 -0.546 19327 7015 1 20 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.774 0.245 19327 7016 1 20 . 1 1 65 65 LYS H H 65 7.186 7.186 7.796 -0.610 19327 7017 1 20 . 1 1 66 66 GLY N N 66 107.578 107.578 107.186 0.392 19327 7018 1 20 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.373 0.449 19327 7019 1 20 . 1 1 66 66 GLY H H 66 7.873 7.873 7.661 0.212 19327 7020 1 20 . 1 1 67 67 ALA N N 67 119.025 119.025 122.718 -3.693 19327 7021 1 20 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.156 -0.134 19327 7022 1 20 . 1 1 67 67 ALA CA C 67 51.699 51.699 52.107 -0.408 19327 7023 1 20 . 1 1 67 67 ALA CB C 67 21.210 21.210 19.843 1.367 19327 7024 1 20 . 1 1 67 67 ALA H H 67 7.927 7.927 7.748 0.179 19327 7025 1 20 . 1 1 68 68 ASP N N 68 116.686 116.686 121.292 -4.606 19327 7026 1 20 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.719 0.352 19327 7027 1 20 . 1 1 68 68 ASP CA C 68 56.601 56.601 56.746 -0.145 19327 7028 1 20 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.695 2.313 19327 7029 1 20 . 1 1 68 68 ASP H H 68 8.793 8.793 8.326 0.467 19327 7030 1 20 . 1 1 69 69 VAL N N 69 118.623 118.623 119.062 -0.439 19327 7031 1 20 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.440 0.690 19327 7032 1 20 . 1 1 69 69 VAL CA C 69 60.430 60.430 61.223 -0.793 19327 7033 1 20 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.520 2.083 19327 7034 1 20 . 1 1 69 69 VAL H H 69 8.076 8.076 8.122 -0.046 19327 7035 1 20 . 1 1 70 70 VAL N N 70 127.358 127.358 126.589 0.769 19327 7036 1 20 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.396 0.164 19327 7037 1 20 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.330 -1.387 19327 7038 1 20 . 1 1 70 70 VAL CB C 70 34.433 34.433 33.164 1.269 19327 7039 1 20 . 1 1 70 70 VAL H H 70 8.724 8.724 8.821 -0.097 19327 7040 1 20 . 1 1 71 71 VAL N N 71 126.739 126.739 127.897 -1.158 19327 7041 1 20 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.579 -0.023 19327 7042 1 20 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.142 0.711 19327 7043 1 20 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.319 2.743 19327 7044 1 20 . 1 1 71 71 VAL H H 71 8.891 8.891 8.743 0.148 19327 7045 1 20 . 1 1 72 72 LEU N N 72 127.581 127.581 130.484 -2.903 19327 7046 1 20 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.311 0.137 19327 7047 1 20 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.355 0.365 19327 7048 1 20 . 1 1 72 72 LEU CB C 72 41.631 41.631 39.969 1.661 19327 7049 1 20 . 1 1 72 72 LEU H H 72 8.802 8.802 8.599 0.203 19327 7050 1 20 . 1 1 73 73 THR N N 73 114.207 114.207 114.427 -0.220 19327 7051 1 20 . 1 1 73 73 THR HA H 73 4.420 4.420 4.374 0.046 19327 7052 1 20 . 1 1 73 73 THR CA C 73 61.516 61.516 63.194 -1.679 19327 7053 1 20 . 1 1 73 73 THR CB C 73 69.462 69.462 68.837 0.625 19327 7054 1 20 . 1 1 73 73 THR H H 73 8.631 8.631 8.245 0.386 19327 7055 1 20 . 1 1 74 74 SER N N 74 116.164 116.164 118.773 -2.609 19327 7056 1 20 . 1 1 74 74 SER HA H 74 4.542 4.542 4.257 0.285 19327 7057 1 20 . 1 1 74 74 SER CA C 74 58.066 58.066 60.232 -2.166 19327 7058 1 20 . 1 1 74 74 SER CB C 74 63.962 63.962 63.538 0.424 19327 7059 1 20 . 1 1 74 74 SER H H 74 8.137 8.137 7.635 0.502 19327 7060 1 20 . 1 1 75 75 GLY N N 75 110.048 110.048 110.764 -0.716 19327 7061 1 20 . 1 1 75 75 GLY CA C 75 45.284 45.284 44.824 0.460 19327 7062 1 20 . 1 1 75 75 GLY H H 75 8.574 8.574 8.385 0.189 19327 7063 1 20 . 1 1 76 76 GLN N N 76 119.520 119.520 121.556 -2.036 19327 7064 1 20 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.092 0.407 19327 7065 1 20 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.193 -0.224 19327 7066 1 20 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.465 1.296 19327 7067 1 20 . 1 1 76 76 GLN H H 76 8.393 8.393 8.421 -0.028 19327 7068 1 20 . 1 1 77 77 THR N N 77 113.213 113.213 119.836 -6.623 19327 7069 1 20 . 1 1 77 77 THR HA H 77 4.432 4.432 4.394 0.038 19327 7070 1 20 . 1 1 77 77 THR CA C 77 61.408 61.408 61.726 -0.318 19327 7071 1 20 . 1 1 77 77 THR CB C 77 69.786 69.786 69.447 0.339 19327 7072 1 20 . 1 1 77 77 THR H H 77 8.105 8.105 8.236 -0.131 19327 7073 1 20 . 1 1 78 78 GLU N N 78 120.912 120.912 119.113 1.799 19327 7074 1 20 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.816 0.432 19327 7075 1 20 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.948 -1.958 19327 7076 1 20 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.187 1.602 19327 7077 1 20 . 1 1 78 78 GLU H H 78 8.454 8.454 8.535 -0.081 19327 7078 1 20 . 1 1 79 79 ASN N N 79 117.094 117.094 121.350 -4.256 19327 7079 1 20 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.544 0.061 19327 7080 1 20 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.003 -0.243 19327 7081 1 20 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.406 0.325 19327 7082 1 20 . 1 1 79 79 ASN H H 79 8.329 8.329 7.959 0.370 19327 7083 1 20 . 1 1 80 80 LYS N N 80 118.942 118.942 120.614 -1.672 19327 7084 1 20 . 1 1 80 80 LYS HA H 80 4.307 4.307 3.980 0.327 19327 7085 1 20 . 1 1 80 80 LYS CA C 80 56.116 56.116 57.303 -1.187 19327 7086 1 20 . 1 1 80 80 LYS CB C 80 33.378 33.378 29.814 3.564 19327 7087 1 20 . 1 1 80 80 LYS H H 80 7.910 7.910 8.313 -0.403 19327 7088 1 20 . 1 1 81 81 ILE N N 81 119.677 119.677 116.171 3.506 19327 7089 1 20 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.512 -0.206 19327 7090 1 20 . 1 1 81 81 ILE CA C 81 60.526 60.526 58.756 1.770 19327 7091 1 20 . 1 1 81 81 ILE CB C 81 40.050 40.050 38.957 1.093 19327 7092 1 20 . 1 1 81 81 ILE H H 81 8.341 8.341 8.172 0.169 19327 7093 1 20 . 1 1 82 82 HIS N N 82 121.812 121.812 124.402 -2.590 19327 7094 1 20 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.458 0.318 19327 7095 1 20 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.752 -2.068 19327 7096 1 20 . 1 1 82 82 HIS CB C 82 28.930 28.930 29.876 -0.946 19327 7097 1 20 . 1 1 82 82 HIS H H 82 8.472 8.472 8.647 -0.175 19327 7098 1 20 . 1 1 83 83 GLY N N 83 111.641 111.641 108.688 2.953 19327 7099 1 20 . 1 1 83 83 GLY CA C 83 45.124 45.124 44.789 0.335 19327 7100 1 20 . 1 1 83 83 GLY H H 83 8.334 8.334 7.838 0.496 19327 7101 1 20 . 1 1 84 84 THR N N 84 112.460 112.460 114.964 -2.504 19327 7102 1 20 . 1 1 84 84 THR HA H 84 5.037 5.037 5.049 -0.012 19327 7103 1 20 . 1 1 84 84 THR CA C 84 60.301 60.301 60.456 -0.155 19327 7104 1 20 . 1 1 84 84 THR CB C 84 72.048 72.048 71.203 0.845 19327 7105 1 20 . 1 1 84 84 THR H H 84 8.125 8.125 7.878 0.247 19327 7106 1 20 . 1 1 85 85 ALA N N 85 122.513 122.513 126.139 -3.626 19327 7107 1 20 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.154 -0.195 19327 7108 1 20 . 1 1 85 85 ALA CA C 85 51.270 51.270 51.462 -0.192 19327 7109 1 20 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.924 0.919 19327 7110 1 20 . 1 1 85 85 ALA H H 85 8.841 8.841 8.923 -0.082 19327 7111 1 20 . 1 1 86 86 ASP N N 86 121.651 121.651 125.029 -3.378 19327 7112 1 20 . 1 1 86 86 ASP HA H 86 5.198 5.198 5.058 0.140 19327 7113 1 20 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.544 -1.067 19327 7114 1 20 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.691 0.638 19327 7115 1 20 . 1 1 86 86 ASP H H 86 8.506 8.506 8.329 0.177 19327 7116 1 20 . 1 1 87 87 ILE N N 87 111.376 111.376 118.085 -6.709 19327 7117 1 20 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.045 0.334 19327 7118 1 20 . 1 1 87 87 ILE CA C 87 58.189 58.189 60.122 -1.933 19327 7119 1 20 . 1 1 87 87 ILE CB C 87 41.389 41.389 38.926 2.462 19327 7120 1 20 . 1 1 87 87 ILE H H 87 7.966 7.966 8.231 -0.265 19327 7121 1 20 . 1 1 88 88 TYR N N 88 118.138 118.138 126.010 -7.872 19327 7122 1 20 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.579 -0.136 19327 7123 1 20 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.270 0.746 19327 7124 1 20 . 1 1 88 88 TYR CB C 88 44.174 44.174 43.089 1.085 19327 7125 1 20 . 1 1 88 88 TYR H H 88 8.754 8.754 8.922 -0.168 19327 7126 1 20 . 1 1 89 89 LYS N N 89 123.705 123.705 120.283 3.422 19327 7127 1 20 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.148 0.029 19327 7128 1 20 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.367 0.099 19327 7129 1 20 . 1 1 89 89 LYS CB C 89 37.138 37.138 36.262 0.876 19327 7130 1 20 . 1 1 89 89 LYS H H 89 9.595 9.595 8.902 0.693 19327 7131 1 20 . 1 1 90 90 LYS N N 90 129.328 129.328 124.377 4.951 19327 7132 1 20 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.195 -0.375 19327 7133 1 20 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.254 1.413 19327 7134 1 20 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.133 -0.306 19327 7135 1 20 . 1 1 90 90 LYS H H 90 10.195 10.195 8.733 1.462 19327 7136 1 20 . 1 1 91 91 LYS N N 91 126.034 126.034 127.262 -1.228 19327 7137 1 20 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.130 -0.020 19327 7138 1 20 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.514 0.811 19327 7139 1 20 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.522 0.803 19327 7140 1 20 . 1 1 91 91 LYS H H 91 8.459 8.459 8.119 0.340 19327 7141 1 20 . 1 1 92 92 LEU N N 92 123.360 123.360 126.469 -3.109 19327 7142 1 20 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.497 -0.212 19327 7143 1 20 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.584 0.233 19327 7144 1 20 . 1 1 92 92 LEU CB C 92 42.315 42.315 42.989 -0.674 19327 7145 1 20 . 1 1 92 92 LEU H H 92 8.266 8.266 8.516 -0.250 19327 7146 1 20 . 1 1 93 93 GLU N N 93 121.993 121.993 125.566 -3.573 19327 7147 1 20 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.374 -0.150 19327 7148 1 20 . 1 1 93 93 GLU CA C 93 55.832 55.832 55.666 0.166 19327 7149 1 20 . 1 1 93 93 GLU CB C 93 30.425 30.425 32.050 -1.625 19327 7150 1 20 . 1 1 93 93 GLU H H 93 8.311 8.311 8.361 -0.050 19327 7151 1 20 . 1 1 94 94 HIS N N 94 119.802 119.802 122.426 -2.624 19327 7152 1 20 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.869 -0.233 19327 7153 1 20 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.170 -1.111 19327 7154 1 20 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.938 -1.807 19327 7155 1 20 . 1 1 94 94 HIS H H 94 8.567 8.567 8.698 -0.131 19327 7156 1 20 . 1 1 95 95 HIS N N 95 119.430 119.430 118.377 1.053 19327 7157 1 20 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.877 -0.240 19327 7158 1 20 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.277 -1.103 19327 7159 1 20 . 1 1 95 95 HIS CB C 95 29.082 29.082 29.925 -0.843 19327 7160 1 20 . 1 1 95 95 HIS H H 95 8.600 8.600 8.480 0.120 19327 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 72 3.134 0.541 3.108 19327 2 1 1 "Average Difference" HA 78 0.242 -0.080 0.230 19327 3 1 1 "Average Difference" C 5 0.828 -0.067 0.923 19327 4 1 1 "Average Difference" CA 73 0.976 0.186 0.965 19327 5 1 1 "Average Difference" CB 68 1.279 -0.590 1.144 19327 6 1 1 "Average Difference" HN 72 0.496 -0.089 0.492 19327 7 1 2 "Average Difference" N 72 2.838 1.011 2.671 19327 8 1 2 "Average Difference" HA 78 0.254 -0.067 0.247 19327 9 1 2 "Average Difference" C 5 0.878 -0.035 0.981 19327 10 1 2 "Average Difference" CA 73 0.921 0.220 0.900 19327 11 1 2 "Average Difference" CB 68 1.067 -0.469 0.965 19327 12 1 2 "Average Difference" HN 72 0.440 -0.083 0.435 19327 13 1 3 "Average Difference" N 72 3.082 1.098 2.900 19327 14 1 3 "Average Difference" HA 78 0.258 -0.103 0.238 19327 15 1 3 "Average Difference" C 5 0.735 0.173 0.799 19327 16 1 3 "Average Difference" CA 73 0.931 0.224 0.910 19327 17 1 3 "Average Difference" CB 68 1.322 -0.712 1.123 19327 18 1 3 "Average Difference" HN 72 0.447 -0.078 0.443 19327 19 1 4 "Average Difference" N 72 2.809 0.979 2.652 19327 20 1 4 "Average Difference" HA 78 0.266 -0.108 0.245 19327 21 1 4 "Average Difference" C 5 0.895 0.079 0.996 19327 22 1 4 "Average Difference" CA 73 0.907 0.256 0.876 19327 23 1 4 "Average Difference" CB 68 1.277 -0.699 1.077 19327 24 1 4 "Average Difference" HN 72 0.464 -0.137 0.447 19327 25 1 5 "Average Difference" N 72 2.923 0.956 2.782 19327 26 1 5 "Average Difference" HA 78 0.239 -0.054 0.235 19327 27 1 5 "Average Difference" C 5 1.021 -0.098 1.136 19327 28 1 5 "Average Difference" CA 73 0.866 0.179 0.853 19327 29 1 5 "Average Difference" CB 68 1.076 -0.409 1.002 19327 30 1 5 "Average Difference" HN 72 0.469 -0.098 0.462 19327 31 1 6 "Average Difference" N 72 2.923 1.033 2.754 19327 32 1 6 "Average Difference" HA 78 0.239 -0.039 0.237 19327 33 1 6 "Average Difference" C 5 1.004 -0.326 1.061 19327 34 1 6 "Average Difference" CA 73 0.846 0.115 0.844 19327 35 1 6 "Average Difference" CB 68 1.171 -0.387 1.114 19327 36 1 6 "Average Difference" HN 72 0.432 -0.087 0.426 19327 37 1 7 "Average Difference" N 72 3.147 0.828 3.058 19327 38 1 7 "Average Difference" HA 78 0.241 -0.065 0.234 19327 39 1 7 "Average Difference" C 5 0.919 -0.066 1.025 19327 40 1 7 "Average Difference" CA 73 0.986 0.314 0.941 19327 41 1 7 "Average Difference" CB 68 1.155 -0.447 1.073 19327 42 1 7 "Average Difference" HN 72 0.449 -0.108 0.439 19327 43 1 8 "Average Difference" N 72 2.913 0.996 2.757 19327 44 1 8 "Average Difference" HA 78 0.251 -0.061 0.245 19327 45 1 8 "Average Difference" C 5 0.889 0.019 0.993 19327 46 1 8 "Average Difference" CA 73 0.893 0.186 0.880 19327 47 1 8 "Average Difference" CB 68 1.405 -0.566 1.296 19327 48 1 8 "Average Difference" HN 72 0.435 -0.096 0.427 19327 49 1 9 "Average Difference" N 72 3.031 1.380 2.718 19327 50 1 9 "Average Difference" HA 78 0.266 -0.068 0.258 19327 51 1 9 "Average Difference" C 5 0.799 -0.276 0.839 19327 52 1 9 "Average Difference" CA 73 0.805 0.141 0.798 19327 53 1 9 "Average Difference" CB 68 1.152 -0.584 1.001 19327 54 1 9 "Average Difference" HN 72 0.462 -0.066 0.460 19327 55 1 10 "Average Difference" N 72 3.024 0.800 2.937 19327 56 1 10 "Average Difference" HA 78 0.236 -0.079 0.224 19327 57 1 10 "Average Difference" C 5 0.811 -0.297 0.844 19327 58 1 10 "Average Difference" CA 73 0.814 0.254 0.778 19327 59 1 10 "Average Difference" CB 68 1.222 -0.560 1.094 19327 60 1 10 "Average Difference" HN 72 0.466 -0.086 0.461 19327 61 1 11 "Average Difference" N 72 2.870 0.789 2.778 19327 62 1 11 "Average Difference" HA 78 0.225 -0.074 0.214 19327 63 1 11 "Average Difference" C 5 0.854 0.173 0.936 19327 64 1 11 "Average Difference" CA 73 0.851 0.199 0.833 19327 65 1 11 "Average Difference" CB 68 1.211 -0.507 1.108 19327 66 1 11 "Average Difference" HN 72 0.471 -0.098 0.463 19327 67 1 12 "Average Difference" N 72 2.992 0.508 2.969 19327 68 1 12 "Average Difference" HA 78 0.230 -0.058 0.224 19327 69 1 12 "Average Difference" C 5 0.739 0.049 0.825 19327 70 1 12 "Average Difference" CA 73 0.947 0.154 0.941 19327 71 1 12 "Average Difference" CB 68 1.270 -0.564 1.146 19327 72 1 12 "Average Difference" HN 72 0.475 -0.084 0.470 19327 73 1 13 "Average Difference" N 72 3.137 1.310 2.870 19327 74 1 13 "Average Difference" HA 78 0.254 -0.095 0.237 19327 75 1 13 "Average Difference" C 5 0.858 0.167 0.941 19327 76 1 13 "Average Difference" CA 73 0.918 0.178 0.907 19327 77 1 13 "Average Difference" CB 68 1.176 -0.573 1.034 19327 78 1 13 "Average Difference" HN 72 0.448 -0.126 0.433 19327 79 1 14 "Average Difference" N 72 2.804 0.988 2.643 19327 80 1 14 "Average Difference" HA 78 0.236 -0.086 0.222 19327 81 1 14 "Average Difference" C 5 1.035 0.056 1.155 19327 82 1 14 "Average Difference" CA 73 0.953 0.184 0.942 19327 83 1 14 "Average Difference" CB 68 1.266 -0.543 1.152 19327 84 1 14 "Average Difference" HN 72 0.406 -0.116 0.392 19327 85 1 15 "Average Difference" N 72 2.768 1.232 2.496 19327 86 1 15 "Average Difference" HA 78 0.236 -0.115 0.207 19327 87 1 15 "Average Difference" C 5 0.866 -0.119 0.959 19327 88 1 15 "Average Difference" CA 73 0.928 0.197 0.913 19327 89 1 15 "Average Difference" CB 68 1.222 -0.526 1.111 19327 90 1 15 "Average Difference" HN 72 0.412 -0.104 0.402 19327 91 1 16 "Average Difference" N 72 2.962 0.699 2.899 19327 92 1 16 "Average Difference" HA 78 0.247 -0.056 0.242 19327 93 1 16 "Average Difference" C 5 0.871 0.056 0.972 19327 94 1 16 "Average Difference" CA 73 0.904 0.191 0.890 19327 95 1 16 "Average Difference" CB 68 1.129 -0.443 1.046 19327 96 1 16 "Average Difference" HN 72 0.447 -0.125 0.432 19327 97 1 17 "Average Difference" N 72 3.040 1.252 2.790 19327 98 1 17 "Average Difference" HA 78 0.224 -0.052 0.219 19327 99 1 17 "Average Difference" C 5 1.140 -0.147 1.264 19327 100 1 17 "Average Difference" CA 73 0.896 0.134 0.892 19327 101 1 17 "Average Difference" CB 68 1.272 -0.504 1.177 19327 102 1 17 "Average Difference" HN 72 0.437 -0.092 0.430 19327 103 1 18 "Average Difference" N 72 2.983 1.313 2.697 19327 104 1 18 "Average Difference" HA 78 0.230 -0.078 0.218 19327 105 1 18 "Average Difference" C 5 0.819 -0.220 0.882 19327 106 1 18 "Average Difference" CA 73 0.839 0.144 0.832 19327 107 1 18 "Average Difference" CB 68 1.235 -0.628 1.072 19327 108 1 18 "Average Difference" HN 72 0.432 -0.093 0.425 19327 109 1 19 "Average Difference" N 72 2.794 1.105 2.584 19327 110 1 19 "Average Difference" HA 78 0.265 -0.067 0.258 19327 111 1 19 "Average Difference" C 5 0.923 0.103 1.026 19327 112 1 19 "Average Difference" CA 73 0.931 0.160 0.923 19327 113 1 19 "Average Difference" CB 68 1.276 -0.574 1.148 19327 114 1 19 "Average Difference" HN 72 0.434 -0.133 0.416 19327 115 1 20 "Average Difference" N 72 2.813 1.213 2.556 19327 116 1 20 "Average Difference" HA 78 0.246 -0.096 0.228 19327 117 1 20 "Average Difference" C 5 0.888 -0.094 0.987 19327 118 1 20 "Average Difference" CA 73 0.832 0.123 0.829 19327 119 1 20 "Average Difference" CB 68 1.201 -0.553 1.075 19327 120 1 20 "Average Difference" HN 72 0.441 -0.095 0.434 19327 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19327 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 23 23 GLU N N 23 117.829 117.829 121.278 -3.449 19327 2 1 . 1 1 23 23 GLU HA H 23 4.713 4.713 4.659 0.054 19327 3 1 . 1 1 23 23 GLU C C 23 174.825 174.825 175.402 -0.577 19327 4 1 . 1 1 23 23 GLU CA C 23 54.363 54.363 54.439 -0.076 19327 5 1 . 1 1 23 23 GLU CB C 23 32.640 32.640 31.820 0.820 19327 6 1 . 1 1 23 23 GLU H H 23 7.921 7.921 8.434 -0.513 19327 7 1 . 1 1 24 24 ILE N N 24 123.913 123.913 124.477 -0.564 19327 8 1 . 1 1 24 24 ILE HA H 24 4.871 4.871 4.480 0.391 19327 9 1 . 1 1 24 24 ILE C C 24 176.427 176.427 175.977 0.450 19327 10 1 . 1 1 24 24 ILE CA C 24 60.288 60.288 60.532 -0.244 19327 11 1 . 1 1 24 24 ILE CB C 24 38.258 38.258 37.291 0.967 19327 12 1 . 1 1 24 24 ILE H H 24 8.873 8.873 8.710 0.163 19327 13 1 . 1 1 25 25 MET N N 25 127.256 127.256 127.322 -0.066 19327 14 1 . 1 1 25 25 MET HA H 25 4.761 4.761 4.800 -0.039 19327 15 1 . 1 1 25 25 MET C C 25 175.735 175.735 174.773 0.962 19327 16 1 . 1 1 25 25 MET CA C 25 54.339 54.339 54.016 0.323 19327 17 1 . 1 1 25 25 MET CB C 25 37.347 37.347 36.780 0.567 19327 18 1 . 1 1 25 25 MET H H 25 8.727 8.727 8.843 -0.116 19327 19 1 . 1 1 26 26 LYS N N 26 123.671 123.671 121.501 2.170 19327 20 1 . 1 1 26 26 LYS HA H 26 4.315 4.315 4.404 -0.089 19327 21 1 . 1 1 26 26 LYS C C 26 178.259 178.259 177.579 0.680 19327 22 1 . 1 1 26 26 LYS CA C 26 56.725 56.725 56.059 0.666 19327 23 1 . 1 1 26 26 LYS CB C 26 32.963 32.963 33.505 -0.542 19327 24 1 . 1 1 26 26 LYS H H 26 9.189 9.189 8.644 0.545 19327 25 1 . 1 1 27 27 LYS N N 27 126.369 126.369 123.073 3.296 19327 26 1 . 1 1 27 27 LYS HA H 27 3.864 3.864 4.028 -0.164 19327 27 1 . 1 1 27 27 LYS C C 27 177.241 177.241 178.538 -1.297 19327 28 1 . 1 1 27 27 LYS CA C 27 60.587 60.587 59.695 0.892 19327 29 1 . 1 1 27 27 LYS CB C 27 32.359 32.359 32.136 0.223 19327 30 1 . 1 1 27 27 LYS H H 27 8.871 8.871 8.485 0.386 19327 31 1 . 1 1 28 28 THR N N 28 107.099 107.099 113.455 -6.356 19327 32 1 . 1 1 28 28 THR HA H 28 4.135 4.135 4.091 0.044 19327 33 1 . 1 1 28 28 THR CA C 28 64.757 64.757 66.720 -1.963 19327 34 1 . 1 1 28 28 THR CB C 28 68.084 68.084 68.260 -0.176 19327 35 1 . 1 1 28 28 THR H H 28 8.110 8.110 8.423 -0.313 19327 36 1 . 1 1 29 29 ASP N N 29 119.543 119.543 121.096 -1.553 19327 37 1 . 1 1 29 29 ASP HA H 29 4.586 4.586 4.447 0.139 19327 38 1 . 1 1 29 29 ASP CA C 29 56.656 56.656 56.988 -0.332 19327 39 1 . 1 1 29 29 ASP CB C 29 40.727 40.727 40.615 0.112 19327 40 1 . 1 1 29 29 ASP H H 29 6.779 6.779 7.931 -1.152 19327 41 1 . 1 1 30 30 PHE N N 30 123.437 123.437 120.624 2.813 19327 42 1 . 1 1 30 30 PHE HA H 30 3.936 3.936 4.128 -0.192 19327 43 1 . 1 1 30 30 PHE CA C 30 60.862 60.862 60.499 0.363 19327 44 1 . 1 1 30 30 PHE CB C 30 39.030 39.030 39.400 -0.370 19327 45 1 . 1 1 30 30 PHE H H 30 8.633 8.633 8.191 0.442 19327 46 1 . 1 1 31 31 ASP N N 31 117.040 117.040 119.499 -2.459 19327 47 1 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.123 0.027 19327 48 1 . 1 1 31 31 ASP CA C 31 57.075 57.075 57.645 -0.570 19327 49 1 . 1 1 31 31 ASP CB C 31 39.986 39.986 40.450 -0.464 19327 50 1 . 1 1 31 31 ASP H H 31 8.650 8.650 8.378 0.272 19327 51 1 . 1 1 32 32 LYS N N 32 114.800 114.800 118.307 -3.507 19327 52 1 . 1 1 32 32 LYS HA H 32 4.114 4.114 4.024 0.090 19327 53 1 . 1 1 32 32 LYS CA C 32 58.387 58.387 58.617 -0.230 19327 54 1 . 1 1 32 32 LYS CB C 32 33.255 33.255 32.536 0.719 19327 55 1 . 1 1 32 32 LYS H H 32 6.927 6.927 7.849 -0.922 19327 56 1 . 1 1 33 33 VAL N N 33 109.380 109.380 111.174 -1.794 19327 57 1 . 1 1 33 33 VAL HA H 33 4.619 4.619 4.426 0.193 19327 58 1 . 1 1 33 33 VAL CA C 33 60.060 60.060 60.252 -0.192 19327 59 1 . 1 1 33 33 VAL CB C 33 32.434 32.434 31.637 0.797 19327 60 1 . 1 1 33 33 VAL H H 33 7.404 7.404 7.416 -0.012 19327 61 1 . 1 1 34 34 ALA N N 34 124.530 124.530 125.692 -1.162 19327 62 1 . 1 1 34 34 ALA HA H 34 3.016 3.016 3.198 -0.182 19327 63 1 . 1 1 34 34 ALA CA C 34 55.264 55.264 55.000 0.264 19327 64 1 . 1 1 34 34 ALA CB C 34 19.394 19.394 18.066 1.328 19327 65 1 . 1 1 34 34 ALA H H 34 6.714 6.714 7.500 -0.786 19327 66 1 . 1 1 35 35 SER N N 35 110.547 110.547 112.083 -1.536 19327 67 1 . 1 1 35 35 SER HA H 35 4.324 4.324 4.163 0.161 19327 68 1 . 1 1 35 35 SER CA C 35 60.456 60.456 60.942 -0.486 19327 69 1 . 1 1 35 35 SER CB C 35 62.536 62.536 62.672 -0.137 19327 70 1 . 1 1 35 35 SER H H 35 8.121 8.121 8.398 -0.277 19327 71 1 . 1 1 36 36 GLU N N 36 119.216 119.216 118.509 0.707 19327 72 1 . 1 1 36 36 GLU HA H 36 4.273 4.273 4.297 -0.024 19327 73 1 . 1 1 36 36 GLU CA C 36 55.787 55.787 55.713 0.074 19327 74 1 . 1 1 36 36 GLU CB C 36 29.085 29.085 29.634 -0.549 19327 75 1 . 1 1 36 36 GLU H H 36 8.305 8.305 7.714 0.591 19327 76 1 . 1 1 37 37 TYR N N 37 117.179 117.179 117.924 -0.745 19327 77 1 . 1 1 37 37 TYR HA H 37 5.150 5.150 5.451 -0.301 19327 78 1 . 1 1 37 37 TYR CA C 37 57.956 57.956 56.909 1.047 19327 79 1 . 1 1 37 37 TYR CB C 37 44.240 44.240 42.514 1.726 19327 80 1 . 1 1 37 37 TYR H H 37 7.922 7.922 7.790 0.132 19327 81 1 . 1 1 38 38 THR N N 38 115.546 115.546 116.471 -0.925 19327 82 1 . 1 1 38 38 THR HA H 38 4.843 4.843 4.839 0.004 19327 83 1 . 1 1 38 38 THR CA C 38 60.454 60.454 60.400 0.054 19327 84 1 . 1 1 38 38 THR CB C 38 71.300 71.300 70.833 0.467 19327 85 1 . 1 1 38 38 THR H H 38 9.483 9.483 9.149 0.334 19327 86 1 . 1 1 39 39 LYS N N 39 130.415 130.415 130.073 0.342 19327 87 1 . 1 1 39 39 LYS HA H 39 3.883 3.883 3.705 0.178 19327 88 1 . 1 1 39 39 LYS CA C 39 57.615 57.615 56.446 1.169 19327 89 1 . 1 1 39 39 LYS CB C 39 32.590 32.590 31.917 0.673 19327 90 1 . 1 1 39 39 LYS H H 39 9.290 9.290 8.837 0.453 19327 91 1 . 1 1 40 40 ILE N N 40 122.004 122.004 122.157 -0.153 19327 92 1 . 1 1 40 40 ILE HA H 40 4.558 4.558 4.435 0.123 19327 93 1 . 1 1 40 40 ILE CA C 40 61.052 61.052 60.478 0.574 19327 94 1 . 1 1 40 40 ILE CB C 40 39.357 39.357 38.600 0.757 19327 95 1 . 1 1 40 40 ILE H H 40 8.819 8.819 8.372 0.447 19327 96 1 . 1 1 41 41 GLY N N 41 107.582 107.582 108.076 -0.494 19327 97 1 . 1 1 41 41 GLY CA C 41 45.206 45.206 45.323 -0.117 19327 98 1 . 1 1 41 41 GLY H H 41 7.136 7.136 7.285 -0.149 19327 99 1 . 1 1 42 42 THR N N 42 115.052 115.052 115.379 -0.327 19327 100 1 . 1 1 42 42 THR HA H 42 5.237 5.237 4.894 0.343 19327 101 1 . 1 1 42 42 THR CA C 42 60.959 60.959 61.528 -0.570 19327 102 1 . 1 1 42 42 THR CB C 42 72.255 72.255 70.700 1.555 19327 103 1 . 1 1 42 42 THR H H 42 8.218 8.218 8.226 -0.008 19327 104 1 . 1 1 43 43 ILE N N 43 118.029 118.029 121.951 -3.922 19327 105 1 . 1 1 43 43 ILE HA H 43 4.787 4.787 4.801 -0.014 19327 106 1 . 1 1 43 43 ILE CA C 43 59.552 59.552 59.116 0.436 19327 107 1 . 1 1 43 43 ILE CB C 43 42.701 42.701 40.981 1.720 19327 108 1 . 1 1 43 43 ILE H H 43 9.129 9.129 8.889 0.240 19327 109 1 . 1 1 44 44 SER N N 44 113.484 113.484 116.244 -2.760 19327 110 1 . 1 1 44 44 SER HA H 44 5.252 5.252 5.184 0.068 19327 111 1 . 1 1 44 44 SER CA C 44 56.792 56.792 56.747 0.045 19327 112 1 . 1 1 44 44 SER CB C 44 66.063 66.063 65.793 0.270 19327 113 1 . 1 1 44 44 SER H H 44 8.335 8.335 8.289 0.046 19327 114 1 . 1 1 45 45 THR N N 45 113.454 113.454 115.646 -2.192 19327 115 1 . 1 1 45 45 THR HA H 45 4.555 4.555 4.693 -0.138 19327 116 1 . 1 1 45 45 THR CA C 45 60.871 60.871 61.410 -0.539 19327 117 1 . 1 1 45 45 THR CB C 45 70.060 70.060 69.891 0.169 19327 118 1 . 1 1 45 45 THR H H 45 8.375 8.375 8.305 0.070 19327 119 1 . 1 1 46 46 THR N N 46 117.848 117.848 117.780 0.068 19327 120 1 . 1 1 46 46 THR HA H 46 4.401 4.401 4.157 0.244 19327 121 1 . 1 1 46 46 THR CA C 46 62.097 62.097 63.750 -1.653 19327 122 1 . 1 1 46 46 THR CB C 46 69.387 69.387 68.322 1.065 19327 123 1 . 1 1 46 46 THR H H 46 8.542 8.542 8.602 -0.060 19327 124 1 . 1 1 47 47 GLY N N 47 111.660 111.660 112.029 -0.370 19327 125 1 . 1 1 47 47 GLY CA C 47 44.883 44.883 44.688 0.195 19327 126 1 . 1 1 47 47 GLY H H 47 8.325 8.325 7.655 0.670 19327 127 1 . 1 1 48 48 GLU N N 48 120.153 120.153 121.205 -1.052 19327 128 1 . 1 1 48 48 GLU HA H 48 4.396 4.396 4.381 0.015 19327 129 1 . 1 1 48 48 GLU CA C 48 55.704 55.704 56.433 -0.729 19327 130 1 . 1 1 48 48 GLU CB C 48 29.594 29.594 29.324 0.270 19327 131 1 . 1 1 48 48 GLU H H 48 8.437 8.437 8.450 -0.013 19327 132 1 . 1 1 49 49 MET N N 49 120.146 120.146 122.626 -2.480 19327 133 1 . 1 1 49 49 MET HA H 49 4.696 4.696 4.615 0.081 19327 134 1 . 1 1 49 49 MET CA C 49 55.028 55.028 54.575 0.454 19327 135 1 . 1 1 49 49 MET CB C 49 36.079 36.079 34.790 1.289 19327 136 1 . 1 1 49 49 MET H H 49 8.390 8.390 7.996 0.394 19327 137 1 . 1 1 50 50 SER N N 50 118.105 118.105 116.497 1.608 19327 138 1 . 1 1 50 50 SER HA H 50 4.780 4.780 4.625 0.155 19327 139 1 . 1 1 50 50 SER CA C 50 56.822 56.822 56.888 -0.066 19327 140 1 . 1 1 50 50 SER CB C 50 62.631 62.631 63.117 -0.486 19327 141 1 . 1 1 50 50 SER H H 50 9.023 9.023 8.424 0.599 19327 142 1 . 1 1 51 51 PRO HA H 51 4.241 4.241 4.201 0.040 19327 143 1 . 1 1 51 51 PRO CA C 51 66.078 66.078 65.503 0.575 19327 144 1 . 1 1 51 51 PRO CB C 51 32.007 32.007 31.815 0.192 19327 145 1 . 1 1 52 52 LEU N N 52 117.624 117.624 117.796 -0.172 19327 146 1 . 1 1 52 52 LEU HA H 52 4.112 4.112 4.124 -0.012 19327 147 1 . 1 1 52 52 LEU CA C 52 57.948 57.948 57.759 0.189 19327 148 1 . 1 1 52 52 LEU CB C 52 41.592 41.592 40.865 0.727 19327 149 1 . 1 1 52 52 LEU H H 52 8.169 8.169 8.084 0.085 19327 150 1 . 1 1 53 53 ASP N N 53 120.042 120.042 119.520 0.522 19327 151 1 . 1 1 53 53 ASP HA H 53 4.422 4.422 4.414 0.008 19327 152 1 . 1 1 53 53 ASP CA C 53 56.748 56.748 57.407 -0.659 19327 153 1 . 1 1 53 53 ASP CB C 53 39.840 39.840 40.673 -0.833 19327 154 1 . 1 1 53 53 ASP H H 53 7.515 7.515 8.072 -0.557 19327 155 1 . 1 1 54 54 ALA N N 54 123.542 123.542 122.811 0.731 19327 156 1 . 1 1 54 54 ALA HA H 54 4.210 4.210 3.994 0.216 19327 157 1 . 1 1 54 54 ALA CA C 54 54.800 54.800 55.022 -0.222 19327 158 1 . 1 1 54 54 ALA CB C 54 18.442 18.442 18.529 -0.087 19327 159 1 . 1 1 54 54 ALA H H 54 8.806 8.806 8.159 0.647 19327 160 1 . 1 1 55 55 ARG N N 55 117.281 117.281 118.641 -1.360 19327 161 1 . 1 1 55 55 ARG HA H 55 3.742 3.742 3.909 -0.167 19327 162 1 . 1 1 55 55 ARG CA C 55 60.301 60.301 59.963 0.338 19327 163 1 . 1 1 55 55 ARG CB C 55 30.267 30.267 30.093 0.174 19327 164 1 . 1 1 55 55 ARG H H 55 7.869 7.869 7.933 -0.064 19327 165 1 . 1 1 56 56 GLU N N 56 116.048 116.048 118.395 -2.347 19327 166 1 . 1 1 56 56 GLU HA H 56 4.009 4.009 4.016 -0.007 19327 167 1 . 1 1 56 56 GLU CA C 56 58.840 58.840 59.150 -0.310 19327 168 1 . 1 1 56 56 GLU CB C 56 28.690 28.690 29.141 -0.451 19327 169 1 . 1 1 56 56 GLU H H 56 7.638 7.638 7.977 -0.339 19327 170 1 . 1 1 57 57 ASP N N 57 120.238 120.238 120.965 -0.727 19327 171 1 . 1 1 57 57 ASP HA H 57 4.384 4.384 4.424 -0.040 19327 172 1 . 1 1 57 57 ASP CA C 57 57.474 57.474 57.186 0.288 19327 173 1 . 1 1 57 57 ASP CB C 57 42.532 42.532 40.837 1.696 19327 174 1 . 1 1 57 57 ASP H H 57 8.126 8.126 7.822 0.304 19327 175 1 . 1 1 58 58 LEU N N 58 117.410 117.410 119.624 -2.214 19327 176 1 . 1 1 58 58 LEU HA H 58 3.861 3.861 3.949 -0.088 19327 177 1 . 1 1 58 58 LEU CA C 58 57.596 57.596 57.918 -0.322 19327 178 1 . 1 1 58 58 LEU CB C 58 41.614 41.614 41.933 -0.319 19327 179 1 . 1 1 58 58 LEU H H 58 8.172 8.172 7.920 0.252 19327 180 1 . 1 1 59 59 ILE N N 59 118.841 118.841 119.849 -1.008 19327 181 1 . 1 1 59 59 ILE HA H 59 3.303 3.303 3.528 -0.225 19327 182 1 . 1 1 59 59 ILE CA C 59 65.757 65.757 65.678 0.079 19327 183 1 . 1 1 59 59 ILE CB C 59 37.563 37.563 37.554 0.009 19327 184 1 . 1 1 59 59 ILE H H 59 8.028 8.028 8.389 -0.361 19327 185 1 . 1 1 60 60 LYS N N 60 119.525 119.525 120.289 -0.764 19327 186 1 . 1 1 60 60 LYS HA H 60 4.094 4.094 3.886 0.208 19327 187 1 . 1 1 60 60 LYS CA C 60 59.753 59.753 59.992 -0.239 19327 188 1 . 1 1 60 60 LYS CB C 60 32.135 32.135 32.259 -0.124 19327 189 1 . 1 1 60 60 LYS H H 60 7.895 7.895 8.018 -0.123 19327 190 1 . 1 1 61 61 LYS N N 61 119.257 119.257 118.575 0.682 19327 191 1 . 1 1 61 61 LYS HA H 61 3.987 3.987 4.081 -0.094 19327 192 1 . 1 1 61 61 LYS CA C 61 59.274 59.274 59.321 -0.047 19327 193 1 . 1 1 61 61 LYS CB C 61 33.544 33.544 32.348 1.196 19327 194 1 . 1 1 61 61 LYS H H 61 8.086 8.086 7.968 0.118 19327 195 1 . 1 1 62 62 ALA N N 62 122.326 122.326 121.773 0.553 19327 196 1 . 1 1 62 62 ALA HA H 62 3.773 3.773 4.011 -0.238 19327 197 1 . 1 1 62 62 ALA CA C 62 55.037 55.037 55.095 -0.058 19327 198 1 . 1 1 62 62 ALA CB C 62 19.102 19.102 18.255 0.847 19327 199 1 . 1 1 62 62 ALA H H 62 8.489 8.489 8.048 0.441 19327 200 1 . 1 1 63 63 ASP N N 63 120.381 120.381 118.915 1.466 19327 201 1 . 1 1 63 63 ASP HA H 63 4.595 4.595 4.403 0.192 19327 202 1 . 1 1 63 63 ASP CA C 63 57.080 57.080 57.205 -0.125 19327 203 1 . 1 1 63 63 ASP CB C 63 39.029 39.029 41.068 -2.039 19327 204 1 . 1 1 63 63 ASP H H 63 8.855 8.855 8.199 0.656 19327 205 1 . 1 1 64 64 GLU N N 64 121.428 121.428 119.404 2.024 19327 206 1 . 1 1 64 64 GLU HA H 64 4.077 4.077 4.090 -0.013 19327 207 1 . 1 1 64 64 GLU CA C 64 58.895 58.895 58.520 0.375 19327 208 1 . 1 1 64 64 GLU CB C 64 29.124 29.124 29.597 -0.473 19327 209 1 . 1 1 64 64 GLU H H 64 8.053 8.053 7.933 0.120 19327 210 1 . 1 1 65 65 LYS N N 65 115.778 115.778 116.067 -0.289 19327 211 1 . 1 1 65 65 LYS HA H 65 4.320 4.320 4.328 -0.008 19327 212 1 . 1 1 65 65 LYS CA C 65 54.830 54.830 55.749 -0.919 19327 213 1 . 1 1 65 65 LYS CB C 65 33.019 33.019 32.535 0.484 19327 214 1 . 1 1 65 65 LYS H H 65 7.186 7.186 7.791 -0.605 19327 215 1 . 1 1 66 66 GLY N N 66 107.578 107.578 106.871 0.707 19327 216 1 . 1 1 66 66 GLY CA C 66 45.822 45.822 45.218 0.604 19327 217 1 . 1 1 66 66 GLY H H 66 7.873 7.873 7.622 0.251 19327 218 1 . 1 1 67 67 ALA N N 67 119.025 119.025 122.567 -3.542 19327 219 1 . 1 1 67 67 ALA HA H 67 4.022 4.022 4.278 -0.256 19327 220 1 . 1 1 67 67 ALA CA C 67 51.699 51.699 51.873 -0.174 19327 221 1 . 1 1 67 67 ALA CB C 67 21.210 21.210 20.040 1.170 19327 222 1 . 1 1 67 67 ALA H H 67 7.927 7.927 7.775 0.152 19327 223 1 . 1 1 68 68 ASP N N 68 116.686 116.686 122.850 -6.164 19327 224 1 . 1 1 68 68 ASP HA H 68 5.071 5.071 4.722 0.349 19327 225 1 . 1 1 68 68 ASP CA C 68 56.601 56.601 57.391 -0.790 19327 226 1 . 1 1 68 68 ASP CB C 68 45.008 45.008 42.395 2.613 19327 227 1 . 1 1 68 68 ASP H H 68 8.793 8.793 8.421 0.372 19327 228 1 . 1 1 69 69 VAL N N 69 118.623 118.623 118.203 0.420 19327 229 1 . 1 1 69 69 VAL HA H 69 5.130 5.130 4.478 0.652 19327 230 1 . 1 1 69 69 VAL CA C 69 60.430 60.430 60.972 -0.542 19327 231 1 . 1 1 69 69 VAL CB C 69 37.603 37.603 35.204 2.399 19327 232 1 . 1 1 69 69 VAL H H 69 8.076 8.076 8.062 0.014 19327 233 1 . 1 1 70 70 VAL N N 70 127.358 127.358 126.640 0.718 19327 234 1 . 1 1 70 70 VAL HA H 70 4.560 4.560 4.313 0.247 19327 235 1 . 1 1 70 70 VAL CA C 70 59.943 59.943 61.283 -1.340 19327 236 1 . 1 1 70 70 VAL CB C 70 34.433 34.433 32.536 1.897 19327 237 1 . 1 1 70 70 VAL H H 70 8.724 8.724 8.858 -0.134 19327 238 1 . 1 1 71 71 VAL N N 71 126.739 126.739 128.240 -1.501 19327 239 1 . 1 1 71 71 VAL HA H 71 4.556 4.556 4.513 0.043 19327 240 1 . 1 1 71 71 VAL CA C 71 60.852 60.852 60.498 0.354 19327 241 1 . 1 1 71 71 VAL CB C 71 34.062 34.062 31.730 2.333 19327 242 1 . 1 1 71 71 VAL H H 71 8.891 8.891 8.707 0.184 19327 243 1 . 1 1 72 72 LEU N N 72 127.581 127.581 129.819 -2.238 19327 244 1 . 1 1 72 72 LEU HA H 72 4.448 4.448 4.308 0.140 19327 245 1 . 1 1 72 72 LEU CA C 72 55.720 55.720 55.375 0.345 19327 246 1 . 1 1 72 72 LEU CB C 72 41.631 41.631 40.085 1.546 19327 247 1 . 1 1 72 72 LEU H H 72 8.802 8.802 8.550 0.252 19327 248 1 . 1 1 73 73 THR N N 73 114.207 114.207 117.162 -2.955 19327 249 1 . 1 1 73 73 THR HA H 73 4.420 4.420 4.290 0.130 19327 250 1 . 1 1 73 73 THR CA C 73 61.516 61.516 63.147 -1.631 19327 251 1 . 1 1 73 73 THR CB C 73 69.462 69.462 69.086 0.376 19327 252 1 . 1 1 73 73 THR H H 73 8.631 8.631 8.266 0.365 19327 253 1 . 1 1 74 74 SER N N 74 116.164 116.164 117.528 -1.364 19327 254 1 . 1 1 74 74 SER HA H 74 4.542 4.542 4.432 0.110 19327 255 1 . 1 1 74 74 SER CA C 74 58.066 58.066 58.655 -0.589 19327 256 1 . 1 1 74 74 SER CB C 74 63.962 63.962 63.654 0.308 19327 257 1 . 1 1 74 74 SER H H 74 8.137 8.137 7.752 0.385 19327 258 1 . 1 1 75 75 GLY N N 75 110.048 110.048 110.525 -0.477 19327 259 1 . 1 1 75 75 GLY CA C 75 45.284 45.284 45.184 0.100 19327 260 1 . 1 1 75 75 GLY H H 75 8.574 8.574 8.274 0.300 19327 261 1 . 1 1 76 76 GLN N N 76 119.520 119.520 120.921 -1.401 19327 262 1 . 1 1 76 76 GLN HA H 76 4.499 4.499 4.194 0.305 19327 263 1 . 1 1 76 76 GLN CA C 76 55.969 55.969 56.285 -0.316 19327 264 1 . 1 1 76 76 GLN CB C 76 29.761 29.761 28.503 1.258 19327 265 1 . 1 1 76 76 GLN H H 76 8.393 8.393 8.238 0.155 19327 266 1 . 1 1 77 77 THR N N 77 113.213 113.213 116.743 -3.530 19327 267 1 . 1 1 77 77 THR HA H 77 4.432 4.432 4.221 0.211 19327 268 1 . 1 1 77 77 THR CA C 77 61.408 61.408 62.780 -1.372 19327 269 1 . 1 1 77 77 THR CB C 77 69.786 69.786 69.040 0.746 19327 270 1 . 1 1 77 77 THR H H 77 8.105 8.105 8.196 -0.091 19327 271 1 . 1 1 78 78 GLU N N 78 120.912 120.912 119.592 1.320 19327 272 1 . 1 1 78 78 GLU HA H 78 4.248 4.248 3.903 0.345 19327 273 1 . 1 1 78 78 GLU CA C 78 56.990 56.990 58.372 -1.382 19327 274 1 . 1 1 78 78 GLU CB C 78 29.789 29.789 28.347 1.442 19327 275 1 . 1 1 78 78 GLU H H 78 8.454 8.454 8.468 -0.014 19327 276 1 . 1 1 79 79 ASN N N 79 117.094 117.094 119.335 -2.241 19327 277 1 . 1 1 79 79 ASN HA H 79 4.605 4.605 4.582 0.023 19327 278 1 . 1 1 79 79 ASN CA C 79 53.760 53.760 54.353 -0.593 19327 279 1 . 1 1 79 79 ASN CB C 79 38.731 38.731 38.800 -0.069 19327 280 1 . 1 1 79 79 ASN H H 79 8.329 8.329 8.176 0.153 19327 281 1 . 1 1 80 80 LYS N N 80 118.942 118.942 119.429 -0.487 19327 282 1 . 1 1 80 80 LYS HA H 80 4.307 4.307 4.308 -0.001 19327 283 1 . 1 1 80 80 LYS CA C 80 56.116 56.116 56.276 -0.160 19327 284 1 . 1 1 80 80 LYS CB C 80 33.378 33.378 31.829 1.549 19327 285 1 . 1 1 80 80 LYS H H 80 7.910 7.910 8.061 -0.151 19327 286 1 . 1 1 81 81 ILE N N 81 119.677 119.677 118.598 1.079 19327 287 1 . 1 1 81 81 ILE HA H 81 4.306 4.306 4.455 -0.149 19327 288 1 . 1 1 81 81 ILE CA C 81 60.526 60.526 59.865 0.661 19327 289 1 . 1 1 81 81 ILE CB C 81 40.050 40.050 40.159 -0.109 19327 290 1 . 1 1 81 81 ILE H H 81 8.341 8.341 7.979 0.362 19327 291 1 . 1 1 82 82 HIS N N 82 121.812 121.812 121.462 0.350 19327 292 1 . 1 1 82 82 HIS HA H 82 4.776 4.776 4.644 0.132 19327 293 1 . 1 1 82 82 HIS CA C 82 54.684 54.684 56.154 -1.471 19327 294 1 . 1 1 82 82 HIS CB C 82 28.930 28.930 30.717 -1.787 19327 295 1 . 1 1 82 82 HIS H H 82 8.472 8.472 8.617 -0.145 19327 296 1 . 1 1 83 83 GLY N N 83 111.641 111.641 108.712 2.929 19327 297 1 . 1 1 83 83 GLY CA C 83 45.124 45.124 45.041 0.083 19327 298 1 . 1 1 83 83 GLY H H 83 8.334 8.334 8.017 0.317 19327 299 1 . 1 1 84 84 THR N N 84 112.460 112.460 116.458 -3.998 19327 300 1 . 1 1 84 84 THR HA H 84 5.037 5.037 5.028 0.009 19327 301 1 . 1 1 84 84 THR CA C 84 60.301 60.301 61.110 -0.809 19327 302 1 . 1 1 84 84 THR CB C 84 72.048 72.048 71.095 0.953 19327 303 1 . 1 1 84 84 THR H H 84 8.125 8.125 7.790 0.335 19327 304 1 . 1 1 85 85 ALA N N 85 122.513 122.513 126.766 -4.253 19327 305 1 . 1 1 85 85 ALA HA H 85 4.959 4.959 5.065 -0.106 19327 306 1 . 1 1 85 85 ALA CA C 85 51.270 51.270 50.894 0.376 19327 307 1 . 1 1 85 85 ALA CB C 85 23.843 23.843 22.707 1.136 19327 308 1 . 1 1 85 85 ALA H H 85 8.841 8.841 8.943 -0.102 19327 309 1 . 1 1 86 86 ASP N N 86 121.651 121.651 124.600 -2.949 19327 310 1 . 1 1 86 86 ASP HA H 86 5.198 5.198 4.933 0.265 19327 311 1 . 1 1 86 86 ASP CA C 86 53.477 53.477 54.638 -1.161 19327 312 1 . 1 1 86 86 ASP CB C 86 43.329 43.329 42.280 1.049 19327 313 1 . 1 1 86 86 ASP H H 86 8.506 8.506 8.303 0.203 19327 314 1 . 1 1 87 87 ILE N N 87 111.376 111.376 118.118 -6.742 19327 315 1 . 1 1 87 87 ILE HA H 87 5.379 5.379 5.020 0.359 19327 316 1 . 1 1 87 87 ILE CA C 87 58.189 58.189 59.951 -1.762 19327 317 1 . 1 1 87 87 ILE CB C 87 41.389 41.389 39.305 2.084 19327 318 1 . 1 1 87 87 ILE H H 87 7.966 7.966 8.234 -0.268 19327 319 1 . 1 1 88 88 TYR N N 88 118.138 118.138 125.559 -7.421 19327 320 1 . 1 1 88 88 TYR HA H 88 5.443 5.443 5.405 0.038 19327 321 1 . 1 1 88 88 TYR CA C 88 57.017 57.017 56.343 0.674 19327 322 1 . 1 1 88 88 TYR CB C 88 44.174 44.174 42.959 1.215 19327 323 1 . 1 1 88 88 TYR H H 88 8.754 8.754 8.983 -0.229 19327 324 1 . 1 1 89 89 LYS N N 89 123.705 123.705 120.880 2.825 19327 325 1 . 1 1 89 89 LYS HA H 89 5.177 5.177 5.124 0.053 19327 326 1 . 1 1 89 89 LYS CA C 89 54.466 54.466 54.134 0.332 19327 327 1 . 1 1 89 89 LYS CB C 89 37.138 37.138 35.879 1.259 19327 328 1 . 1 1 89 89 LYS H H 89 9.595 9.595 8.947 0.648 19327 329 1 . 1 1 90 90 LYS N N 90 129.328 129.328 125.485 3.843 19327 330 1 . 1 1 90 90 LYS HA H 90 3.820 3.820 4.307 -0.487 19327 331 1 . 1 1 90 90 LYS CA C 90 57.666 57.666 56.321 1.345 19327 332 1 . 1 1 90 90 LYS CB C 90 32.827 32.827 33.092 -0.265 19327 333 1 . 1 1 90 90 LYS H H 90 10.195 10.195 8.762 1.433 19327 334 1 . 1 1 91 91 LYS N N 91 126.034 126.034 127.028 -0.994 19327 335 1 . 1 1 91 91 LYS HA H 91 4.110 4.110 4.150 -0.040 19327 336 1 . 1 1 91 91 LYS CA C 91 57.325 57.325 56.778 0.547 19327 337 1 . 1 1 91 91 LYS CB C 91 33.325 33.325 32.118 1.207 19327 338 1 . 1 1 91 91 LYS H H 91 8.459 8.459 8.147 0.312 19327 339 1 . 1 1 92 92 LEU N N 92 123.360 123.360 123.600 -0.240 19327 340 1 . 1 1 92 92 LEU HA H 92 4.285 4.285 4.297 -0.012 19327 341 1 . 1 1 92 92 LEU CA C 92 54.817 54.817 54.674 0.143 19327 342 1 . 1 1 92 92 LEU CB C 92 42.315 42.315 41.872 0.443 19327 343 1 . 1 1 92 92 LEU H H 92 8.266 8.266 8.287 -0.021 19327 344 1 . 1 1 93 93 GLU N N 93 121.993 121.993 122.872 -0.879 19327 345 1 . 1 1 93 93 GLU HA H 93 4.224 4.224 4.272 -0.048 19327 346 1 . 1 1 93 93 GLU CA C 93 55.832 55.832 56.556 -0.724 19327 347 1 . 1 1 93 93 GLU CB C 93 30.425 30.425 30.458 -0.033 19327 348 1 . 1 1 93 93 GLU H H 93 8.311 8.311 8.451 -0.140 19327 349 1 . 1 1 94 94 HIS N N 94 119.802 119.802 120.956 -1.154 19327 350 1 . 1 1 94 94 HIS HA H 94 4.636 4.636 4.693 -0.057 19327 351 1 . 1 1 94 94 HIS CA C 94 55.059 55.059 56.175 -1.116 19327 352 1 . 1 1 94 94 HIS CB C 94 29.131 29.131 30.028 -0.897 19327 353 1 . 1 1 94 94 HIS H H 94 8.567 8.567 8.466 0.101 19327 354 1 . 1 1 95 95 HIS N N 95 119.430 119.430 121.440 -2.010 19327 355 1 . 1 1 95 95 HIS HA H 95 4.637 4.637 4.522 0.115 19327 356 1 . 1 1 95 95 HIS CA C 95 55.174 55.174 56.190 -1.016 19327 357 1 . 1 1 95 95 HIS CB C 95 29.082 29.082 29.823 -0.741 19327 358 1 . 1 1 95 95 HIS H H 95 8.600 8.600 8.460 0.140 19327 stop_ save_