data_19876 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19876 _Entry.PDB_ID 2MN2 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 19876 _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 2 2 ASP N N 2 122.949 122.949 125.447 -2.498 19876 2 1 1 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.602 -0.158 19876 3 1 1 . 1 1 2 2 ASP C C 2 174.891 174.891 176.404 -1.513 19876 4 1 1 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.497 -0.875 19876 5 1 1 . 1 1 2 2 ASP CB C 2 41.319 41.319 40.483 0.836 19876 6 1 1 . 1 1 2 2 ASP H H 2 8.386 8.386 8.579 -0.193 19876 7 1 1 . 1 1 3 3 GLU N N 3 119.296 119.296 121.613 -2.317 19876 8 1 1 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.461 -0.597 19876 9 1 1 . 1 1 3 3 GLU C C 3 175.006 175.006 176.020 -1.014 19876 10 1 1 . 1 1 3 3 GLU CA C 3 58.073 58.073 54.994 3.079 19876 11 1 1 . 1 1 3 3 GLU CB C 3 29.567 29.567 27.898 1.669 19876 12 1 1 . 1 1 3 3 GLU H H 3 8.601 8.601 8.233 0.368 19876 13 1 1 . 1 1 4 4 TYR N N 4 118.038 118.038 120.041 -2.003 19876 14 1 1 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.310 0.143 19876 15 1 1 . 1 1 4 4 TYR C C 4 174.761 174.761 175.923 -1.162 19876 16 1 1 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.106 -2.532 19876 17 1 1 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.010 -0.015 19876 18 1 1 . 1 1 4 4 TYR H H 4 8.049 8.049 7.548 0.501 19876 19 1 1 . 1 1 5 5 SER N N 5 118.519 118.519 114.838 3.681 19876 20 1 1 . 1 1 5 5 SER HA H 5 4.444 4.444 4.606 -0.162 19876 21 1 1 . 1 1 5 5 SER C C 5 171.907 171.907 172.062 -0.155 19876 22 1 1 . 1 1 5 5 SER CA C 5 57.173 57.173 56.087 1.086 19876 23 1 1 . 1 1 5 5 SER CB C 5 62.104 62.104 63.427 -1.323 19876 24 1 1 . 1 1 5 5 SER H H 5 7.759 7.759 8.111 -0.352 19876 25 1 1 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.570 -0.126 19876 26 1 1 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.394 1.203 19876 27 1 1 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.334 -0.286 19876 28 1 1 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.010 -0.222 19876 29 1 1 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.592 -1.092 19876 30 1 1 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.455 0.126 19876 31 1 1 . 1 1 9 9 HIS N N 9 118.064 118.064 116.913 1.151 19876 32 1 1 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.307 -0.025 19876 33 1 1 . 1 1 9 9 HIS C C 9 176.264 176.264 177.330 -1.066 19876 34 1 1 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.819 -0.776 19876 35 1 1 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.584 0.805 19876 36 1 1 . 1 1 9 9 HIS H H 9 7.291 7.291 8.677 -1.386 19876 37 1 1 . 1 1 10 10 ASP N N 10 122.089 122.089 120.346 1.743 19876 38 1 1 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.832 -0.249 19876 39 1 1 . 1 1 10 10 ASP C C 10 177.261 177.261 179.001 -1.740 19876 40 1 1 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.843 0.030 19876 41 1 1 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.832 -0.263 19876 42 1 1 . 1 1 10 10 ASP H H 10 8.221 8.221 8.663 -0.442 19876 43 1 1 . 1 1 11 11 VAL N N 11 119.318 119.318 121.998 -2.680 19876 44 1 1 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.198 -0.711 19876 45 1 1 . 1 1 11 11 VAL C C 11 175.661 175.661 178.071 -2.410 19876 46 1 1 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.745 0.134 19876 47 1 1 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.323 0.103 19876 48 1 1 . 1 1 11 11 VAL H H 11 8.850 8.850 8.576 0.274 19876 49 1 1 . 1 1 12 12 ALA N N 12 121.749 121.749 121.798 -0.049 19876 50 1 1 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.504 0.265 19876 51 1 1 . 1 1 12 12 ALA C C 12 179.484 179.484 179.391 0.093 19876 52 1 1 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.394 -0.126 19876 53 1 1 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.177 -0.435 19876 54 1 1 . 1 1 12 12 ALA H H 12 7.676 7.676 8.730 -1.054 19876 55 1 1 . 1 1 13 13 GLN N N 13 119.544 119.544 118.931 0.613 19876 56 1 1 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.999 0.008 19876 57 1 1 . 1 1 13 13 GLN C C 13 176.075 176.075 178.406 -2.331 19876 58 1 1 . 1 1 13 13 GLN CA C 13 58.232 58.232 58.900 -0.668 19876 59 1 1 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.474 -0.724 19876 60 1 1 . 1 1 13 13 GLN H H 13 8.151 8.151 8.528 -0.377 19876 61 1 1 . 1 1 14 14 LEU N N 14 121.127 121.127 120.834 0.293 19876 62 1 1 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.136 -0.580 19876 63 1 1 . 1 1 14 14 LEU C C 14 176.935 176.935 178.011 -1.076 19876 64 1 1 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.594 -0.870 19876 65 1 1 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.533 0.154 19876 66 1 1 . 1 1 14 14 LEU H H 14 7.889 7.889 8.688 -0.799 19876 67 1 1 . 1 1 15 15 LYS N N 15 120.458 120.458 118.722 1.736 19876 68 1 1 . 1 1 15 15 LYS HA H 15 2.662 2.662 1.959 0.703 19876 69 1 1 . 1 1 15 15 LYS C C 15 176.022 176.022 178.349 -2.327 19876 70 1 1 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.026 2.011 19876 71 1 1 . 1 1 15 15 LYS CB C 15 32.211 32.211 30.420 1.791 19876 72 1 1 . 1 1 15 15 LYS H H 15 8.174 8.174 7.431 0.743 19876 73 1 1 . 1 1 16 16 PHE N N 16 119.257 119.257 120.143 -0.886 19876 74 1 1 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.285 -0.098 19876 75 1 1 . 1 1 16 16 PHE C C 16 177.917 177.917 178.346 -0.429 19876 76 1 1 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.393 -0.063 19876 77 1 1 . 1 1 16 16 PHE CB C 16 38.494 38.494 37.904 0.590 19876 78 1 1 . 1 1 16 16 PHE H H 16 7.855 7.855 7.978 -0.123 19876 79 1 1 . 1 1 17 17 LEU N N 17 121.489 121.489 119.653 1.836 19876 80 1 1 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.884 -0.286 19876 81 1 1 . 1 1 17 17 LEU C C 17 177.988 177.988 179.191 -1.203 19876 82 1 1 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.413 -0.451 19876 83 1 1 . 1 1 17 17 LEU CB C 17 41.698 41.698 41.569 0.129 19876 84 1 1 . 1 1 17 17 LEU H H 17 8.560 8.560 9.042 -0.482 19876 85 1 1 . 1 1 18 18 CYS N N 18 116.216 116.216 117.892 -1.676 19876 86 1 1 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.323 -0.088 19876 87 1 1 . 1 1 18 18 CYS C C 18 176.987 176.987 177.220 -0.233 19876 88 1 1 . 1 1 18 18 CYS CA C 18 65.574 65.574 62.900 2.674 19876 89 1 1 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.389 0.915 19876 90 1 1 . 1 1 18 18 CYS H H 18 8.194 8.194 8.147 0.047 19876 91 1 1 . 1 1 19 19 GLU N N 19 123.947 123.947 121.498 2.449 19876 92 1 1 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.452 -0.567 19876 93 1 1 . 1 1 19 19 GLU C C 19 176.436 176.436 178.778 -2.342 19876 94 1 1 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.909 -0.023 19876 95 1 1 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.102 0.179 19876 96 1 1 . 1 1 19 19 GLU H H 19 8.842 8.842 8.976 -0.134 19876 97 1 1 . 1 1 20 20 SER N N 20 116.500 116.500 117.141 -0.641 19876 98 1 1 . 1 1 20 20 SER HA H 20 4.056 4.056 4.302 -0.246 19876 99 1 1 . 1 1 20 20 SER C C 20 174.835 174.835 176.717 -1.882 19876 100 1 1 . 1 1 20 20 SER CA C 20 61.729 61.729 61.591 0.138 19876 101 1 1 . 1 1 20 20 SER CB C 20 62.360 62.360 62.702 -0.342 19876 102 1 1 . 1 1 20 20 SER H H 20 8.198 8.198 8.769 -0.571 19876 103 1 1 . 1 1 21 21 LEU N N 21 121.186 121.186 123.572 -2.386 19876 104 1 1 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.071 -0.160 19876 105 1 1 . 1 1 21 21 LEU C C 21 175.905 175.905 177.949 -2.044 19876 106 1 1 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.467 -0.514 19876 107 1 1 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.053 -0.444 19876 108 1 1 . 1 1 21 21 LEU H H 21 7.970 7.970 8.139 -0.169 19876 109 1 1 . 1 1 22 22 TYR N N 22 119.690 119.690 120.630 -0.940 19876 110 1 1 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.408 -0.090 19876 111 1 1 . 1 1 22 22 TYR C C 22 175.453 175.453 177.903 -2.450 19876 112 1 1 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.457 1.783 19876 113 1 1 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.904 -0.761 19876 114 1 1 . 1 1 22 22 TYR H H 22 7.473 7.473 8.878 -1.405 19876 115 1 1 . 1 1 23 23 ASP N N 23 118.291 118.291 118.581 -0.290 19876 116 1 1 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.166 -0.119 19876 117 1 1 . 1 1 23 23 ASP C C 23 178.796 178.796 178.563 0.233 19876 118 1 1 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.922 -0.638 19876 119 1 1 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.823 -0.940 19876 120 1 1 . 1 1 23 23 ASP H H 23 8.249 8.249 8.124 0.125 19876 121 1 1 . 1 1 24 24 GLU N N 24 120.605 120.605 119.536 1.069 19876 122 1 1 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.914 0.017 19876 123 1 1 . 1 1 24 24 GLU C C 24 178.457 178.457 179.184 -0.727 19876 124 1 1 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.337 -0.776 19876 125 1 1 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.494 -0.572 19876 126 1 1 . 1 1 24 24 GLU H H 24 8.347 8.347 8.722 -0.375 19876 127 1 1 . 1 1 25 25 GLY N N 25 111.777 111.777 108.557 3.220 19876 128 1 1 . 1 1 25 25 GLY C C 25 173.906 173.906 176.683 -2.777 19876 129 1 1 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.468 0.000 19876 130 1 1 . 1 1 25 25 GLY H H 25 8.701 8.701 8.962 -0.261 19876 131 1 1 . 1 1 26 26 ILE N N 26 122.263 122.263 123.711 -1.448 19876 132 1 1 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.714 0.043 19876 133 1 1 . 1 1 26 26 ILE C C 26 178.116 178.116 178.244 -0.128 19876 134 1 1 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.823 -1.592 19876 135 1 1 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.727 -1.039 19876 136 1 1 . 1 1 26 26 ILE H H 26 8.717 8.717 8.683 0.034 19876 137 1 1 . 1 1 27 27 ALA N N 27 122.092 122.092 121.715 0.377 19876 138 1 1 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.914 0.046 19876 139 1 1 . 1 1 27 27 ALA C C 27 178.428 178.428 180.124 -1.696 19876 140 1 1 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.598 -1.105 19876 141 1 1 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.246 -0.196 19876 142 1 1 . 1 1 27 27 ALA H H 27 7.672 7.672 8.633 -0.961 19876 143 1 1 . 1 1 28 28 THR N N 28 115.031 115.031 115.734 -0.703 19876 144 1 1 . 1 1 28 28 THR HA H 28 3.734 3.734 4.100 -0.366 19876 145 1 1 . 1 1 28 28 THR C C 28 174.403 174.403 176.126 -1.723 19876 146 1 1 . 1 1 28 28 THR CA C 28 65.750 65.750 66.365 -0.615 19876 147 1 1 . 1 1 28 28 THR CB C 28 68.530 68.530 69.128 -0.598 19876 148 1 1 . 1 1 28 28 THR H H 28 7.554 7.554 7.864 -0.310 19876 149 1 1 . 1 1 29 29 LEU N N 29 121.356 121.356 119.738 1.618 19876 150 1 1 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.130 -0.320 19876 151 1 1 . 1 1 29 29 LEU C C 29 176.694 176.694 179.145 -2.451 19876 152 1 1 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.488 -0.994 19876 153 1 1 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.381 0.798 19876 154 1 1 . 1 1 29 29 LEU H H 29 7.580 7.580 8.733 -1.153 19876 155 1 1 . 1 1 30 30 GLY CA C 30 44.903 44.903 45.485 -0.582 19876 156 1 1 . 1 1 31 31 ASP N N 31 119.983 119.983 121.470 -1.487 19876 157 1 1 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.663 -0.100 19876 158 1 1 . 1 1 31 31 ASP C C 31 175.609 175.609 174.981 0.628 19876 159 1 1 . 1 1 31 31 ASP CA C 31 53.883 53.883 52.025 1.858 19876 160 1 1 . 1 1 31 31 ASP CB C 31 41.558 41.558 40.372 1.186 19876 161 1 1 . 1 1 31 31 ASP H H 31 8.017 8.017 7.781 0.236 19876 162 1 1 . 1 1 32 32 SER N N 32 118.027 118.027 120.403 -2.376 19876 163 1 1 . 1 1 32 32 SER HA H 32 4.191 4.191 4.380 -0.189 19876 164 1 1 . 1 1 32 32 SER C C 32 178.747 178.747 175.676 3.071 19876 165 1 1 . 1 1 32 32 SER CA C 32 59.247 59.247 58.205 1.042 19876 166 1 1 . 1 1 32 32 SER CB C 32 63.224 63.224 63.133 0.091 19876 167 1 1 . 1 1 32 32 SER H H 32 8.284 8.284 7.859 0.425 19876 168 1 1 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.279 0.066 19876 169 1 1 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.152 -2.123 19876 170 1 1 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.849 -0.290 19876 171 1 1 . 1 1 34 34 HIS N N 34 117.885 117.885 114.922 2.963 19876 172 1 1 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.736 -0.252 19876 173 1 1 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.295 -0.348 19876 174 1 1 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.416 -0.649 19876 175 1 1 . 1 1 34 34 HIS H H 34 7.896 7.896 7.635 0.261 19876 176 1 1 . 1 1 35 35 GLY N N 35 108.681 108.681 108.943 -0.262 19876 177 1 1 . 1 1 35 35 GLY C C 35 172.466 172.466 173.363 -0.897 19876 178 1 1 . 1 1 35 35 GLY CA C 35 45.299 45.299 46.258 -0.959 19876 179 1 1 . 1 1 35 35 GLY H H 35 7.864 7.864 8.539 -0.675 19876 180 1 1 . 1 1 36 36 TRP N N 36 120.973 120.973 119.651 1.322 19876 181 1 1 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.872 -0.378 19876 182 1 1 . 1 1 36 36 TRP C C 36 174.594 174.594 175.165 -0.571 19876 183 1 1 . 1 1 36 36 TRP CA C 36 57.866 57.866 57.973 -0.107 19876 184 1 1 . 1 1 36 36 TRP CB C 36 29.587 29.587 31.142 -1.555 19876 185 1 1 . 1 1 36 36 TRP H H 36 7.809 7.809 8.018 -0.209 19876 186 1 1 . 1 1 37 37 VAL N N 37 122.778 122.778 114.598 8.180 19876 187 1 1 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.302 -0.515 19876 188 1 1 . 1 1 37 37 VAL C C 37 173.396 173.396 174.590 -1.194 19876 189 1 1 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.793 0.491 19876 190 1 1 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.298 0.236 19876 191 1 1 . 1 1 37 37 VAL H H 37 7.712 7.712 7.832 -0.120 19876 192 1 1 . 1 1 38 38 ASN N N 38 121.869 121.869 119.222 2.647 19876 193 1 1 . 1 1 38 38 ASN HA H 38 4.235 4.235 5.201 -0.966 19876 194 1 1 . 1 1 38 38 ASN C C 38 172.186 172.186 173.666 -1.480 19876 195 1 1 . 1 1 38 38 ASN CA C 38 54.070 54.070 51.965 2.105 19876 196 1 1 . 1 1 38 38 ASN CB C 38 40.629 40.629 42.401 -1.772 19876 197 1 1 . 1 1 38 38 ASN H H 38 7.768 7.768 9.121 -1.353 19876 198 1 1 . 1 1 39 39 ASP N N 39 123.332 123.332 124.791 -1.459 19876 199 1 1 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.848 0.011 19876 200 1 1 . 1 1 39 39 ASP C C 39 173.301 173.301 175.834 -2.533 19876 201 1 1 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.381 -2.521 19876 202 1 1 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.210 -0.502 19876 203 1 1 . 1 1 39 39 ASP H H 39 8.300 8.300 9.011 -0.711 19876 204 1 1 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.435 -0.279 19876 205 1 1 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.296 -0.362 19876 206 1 1 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.855 1.037 19876 207 1 1 . 1 1 41 41 THR N N 41 107.824 107.824 109.863 -2.039 19876 208 1 1 . 1 1 41 41 THR HA H 41 4.191 4.191 4.306 -0.115 19876 209 1 1 . 1 1 41 41 THR C C 41 173.405 173.405 174.846 -1.441 19876 210 1 1 . 1 1 41 41 THR CA C 41 61.283 61.283 62.373 -1.090 19876 211 1 1 . 1 1 41 41 THR CB C 41 69.351 69.351 69.122 0.229 19876 212 1 1 . 1 1 41 41 THR H H 41 7.923 7.923 7.807 0.116 19876 213 1 1 . 1 1 42 42 SER N N 42 118.745 118.745 117.568 1.177 19876 214 1 1 . 1 1 42 42 SER HA H 42 4.187 4.187 4.211 -0.024 19876 215 1 1 . 1 1 42 42 SER C C 42 172.750 172.750 175.695 -2.945 19876 216 1 1 . 1 1 42 42 SER CA C 42 58.320 58.320 58.431 -0.111 19876 217 1 1 . 1 1 42 42 SER CB C 42 64.569 64.569 64.205 0.364 19876 218 1 1 . 1 1 42 42 SER H H 42 7.705 7.705 7.788 -0.083 19876 219 1 1 . 1 1 43 43 ALA N N 43 124.591 124.591 127.409 -2.818 19876 220 1 1 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.962 -0.002 19876 221 1 1 . 1 1 43 43 ALA C C 43 178.795 178.795 179.187 -0.392 19876 222 1 1 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.017 0.119 19876 223 1 1 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.437 -0.293 19876 224 1 1 . 1 1 43 43 ALA H H 43 8.540 8.540 8.763 -0.223 19876 225 1 1 . 1 1 44 44 VAL N N 44 115.734 115.734 115.387 0.347 19876 226 1 1 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.475 0.244 19876 227 1 1 . 1 1 44 44 VAL C C 44 176.057 176.057 177.604 -1.547 19876 228 1 1 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.731 -1.029 19876 229 1 1 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.109 0.626 19876 230 1 1 . 1 1 44 44 VAL H H 44 7.836 7.836 8.001 -0.165 19876 231 1 1 . 1 1 45 45 ASN N N 45 123.038 123.038 118.922 4.116 19876 232 1 1 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.014 0.030 19876 233 1 1 . 1 1 45 45 ASN C C 45 176.022 176.022 177.847 -1.825 19876 234 1 1 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.114 0.721 19876 235 1 1 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.437 -0.716 19876 236 1 1 . 1 1 45 45 ASN H H 45 7.709 7.709 7.427 0.282 19876 237 1 1 . 1 1 46 46 LEU N N 46 122.005 122.005 120.828 1.177 19876 238 1 1 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.822 0.104 19876 239 1 1 . 1 1 46 46 LEU C C 46 178.192 178.192 178.974 -0.782 19876 240 1 1 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.412 -0.369 19876 241 1 1 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.541 -0.711 19876 242 1 1 . 1 1 46 46 LEU H H 46 8.239 8.239 8.714 -0.475 19876 243 1 1 . 1 1 47 47 GLN N N 47 119.394 119.394 119.018 0.376 19876 244 1 1 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.894 0.077 19876 245 1 1 . 1 1 47 47 GLN C C 47 177.762 177.762 178.669 -0.907 19876 246 1 1 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.430 -0.739 19876 247 1 1 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.710 -0.583 19876 248 1 1 . 1 1 47 47 GLN H H 47 7.825 7.825 8.417 -0.592 19876 249 1 1 . 1 1 48 48 LEU N N 48 122.808 122.808 119.734 3.074 19876 250 1 1 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.767 -0.024 19876 251 1 1 . 1 1 48 48 LEU C C 48 177.366 177.366 178.826 -1.460 19876 252 1 1 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.811 -0.537 19876 253 1 1 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.106 0.353 19876 254 1 1 . 1 1 48 48 LEU H H 48 7.625 7.625 8.654 -1.029 19876 255 1 1 . 1 1 49 49 ASN N N 49 117.784 117.784 118.320 -0.536 19876 256 1 1 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.342 -0.056 19876 257 1 1 . 1 1 49 49 ASN C C 49 176.893 176.893 177.329 -0.436 19876 258 1 1 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.492 -1.356 19876 259 1 1 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.412 -0.802 19876 260 1 1 . 1 1 49 49 ASN H H 49 7.797 7.797 8.455 -0.658 19876 261 1 1 . 1 1 50 50 ASP N N 50 120.887 120.887 121.085 -0.198 19876 262 1 1 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.481 -0.177 19876 263 1 1 . 1 1 50 50 ASP C C 50 177.452 177.452 178.459 -1.007 19876 264 1 1 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.195 0.192 19876 265 1 1 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.154 -0.564 19876 266 1 1 . 1 1 50 50 ASP H H 50 7.868 7.868 8.298 -0.430 19876 267 1 1 . 1 1 51 51 LEU N N 51 123.117 123.117 120.917 2.200 19876 268 1 1 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.795 0.363 19876 269 1 1 . 1 1 51 51 LEU C C 51 177.345 177.345 179.160 -1.815 19876 270 1 1 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.275 -1.311 19876 271 1 1 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.028 -1.027 19876 272 1 1 . 1 1 51 51 LEU H H 51 7.627 7.627 8.539 -0.912 19876 273 1 1 . 1 1 52 52 ILE N N 52 120.007 120.007 118.394 1.613 19876 274 1 1 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.561 -0.194 19876 275 1 1 . 1 1 52 52 ILE C C 52 176.246 176.246 178.289 -2.043 19876 276 1 1 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.906 1.114 19876 277 1 1 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.642 0.540 19876 278 1 1 . 1 1 52 52 ILE H H 52 8.309 8.309 8.747 -0.438 19876 279 1 1 . 1 1 53 53 GLU N N 53 117.619 117.619 118.427 -0.808 19876 280 1 1 . 1 1 53 53 GLU HA H 53 3.931 3.931 4.067 -0.136 19876 281 1 1 . 1 1 53 53 GLU C C 53 178.193 178.193 179.007 -0.814 19876 282 1 1 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.619 -0.166 19876 283 1 1 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.666 -0.318 19876 284 1 1 . 1 1 53 53 GLU H H 53 7.965 7.965 7.647 0.318 19876 285 1 1 . 1 1 54 54 HIS N N 54 120.335 120.335 121.022 -0.687 19876 286 1 1 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.399 -0.087 19876 287 1 1 . 1 1 54 54 HIS C C 54 177.331 177.331 178.278 -0.947 19876 288 1 1 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.585 -0.023 19876 289 1 1 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.796 0.401 19876 290 1 1 . 1 1 54 54 HIS H H 54 8.117 8.117 8.801 -0.684 19876 291 1 1 . 1 1 55 55 ILE N N 55 120.694 120.694 119.044 1.650 19876 292 1 1 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.985 -0.546 19876 293 1 1 . 1 1 55 55 ILE C C 55 176.281 176.281 177.517 -1.236 19876 294 1 1 . 1 1 55 55 ILE CA C 55 65.951 65.951 64.660 1.291 19876 295 1 1 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.757 -0.728 19876 296 1 1 . 1 1 55 55 ILE H H 55 8.655 8.655 8.821 -0.166 19876 297 1 1 . 1 1 56 56 ALA N N 56 123.896 123.896 124.424 -0.528 19876 298 1 1 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.941 -0.180 19876 299 1 1 . 1 1 56 56 ALA C C 56 179.581 179.581 179.427 0.154 19876 300 1 1 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.673 -0.061 19876 301 1 1 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.141 -0.492 19876 302 1 1 . 1 1 56 56 ALA H H 56 9.063 9.063 8.321 0.742 19876 303 1 1 . 1 1 57 57 SER N N 57 114.014 114.014 114.701 -0.687 19876 304 1 1 . 1 1 57 57 SER HA H 57 4.165 4.165 4.202 -0.037 19876 305 1 1 . 1 1 57 57 SER C C 57 175.540 175.540 176.609 -1.069 19876 306 1 1 . 1 1 57 57 SER CA C 57 61.491 61.491 61.318 0.173 19876 307 1 1 . 1 1 57 57 SER CB C 57 62.640 62.640 63.121 -0.481 19876 308 1 1 . 1 1 57 57 SER H H 57 7.918 7.918 8.659 -0.741 19876 309 1 1 . 1 1 58 58 PHE N N 58 125.013 125.013 124.512 0.501 19876 310 1 1 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.400 -0.382 19876 311 1 1 . 1 1 58 58 PHE C C 58 177.343 177.343 177.014 0.329 19876 312 1 1 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.620 1.056 19876 313 1 1 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.082 0.102 19876 314 1 1 . 1 1 58 58 PHE H H 58 8.024 8.024 7.702 0.322 19876 315 1 1 . 1 1 59 59 VAL N N 59 120.373 120.373 120.182 0.191 19876 316 1 1 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.255 0.402 19876 317 1 1 . 1 1 59 59 VAL C C 59 175.403 175.403 177.825 -2.422 19876 318 1 1 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.270 -1.168 19876 319 1 1 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.564 -0.127 19876 320 1 1 . 1 1 59 59 VAL H H 59 9.263 9.263 8.912 0.351 19876 321 1 1 . 1 1 60 60 MET N N 60 120.360 120.360 118.765 1.595 19876 322 1 1 . 1 1 60 60 MET HA H 60 4.002 4.002 3.929 0.073 19876 323 1 1 . 1 1 60 60 MET C C 60 177.417 177.417 178.689 -1.272 19876 324 1 1 . 1 1 60 60 MET CA C 60 59.396 59.396 59.694 -0.298 19876 325 1 1 . 1 1 60 60 MET CB C 60 31.986 31.986 32.550 -0.564 19876 326 1 1 . 1 1 60 60 MET H H 60 7.826 7.826 8.338 -0.512 19876 327 1 1 . 1 1 61 61 SER N N 61 113.289 113.289 115.743 -2.454 19876 328 1 1 . 1 1 61 61 SER HA H 61 4.035 4.035 4.101 -0.066 19876 329 1 1 . 1 1 61 61 SER CA C 61 61.619 61.619 61.348 0.271 19876 330 1 1 . 1 1 61 61 SER CB C 61 62.600 62.600 63.194 -0.594 19876 331 1 1 . 1 1 61 61 SER H H 61 7.230 7.230 8.219 -0.989 19876 332 1 1 . 1 1 62 62 PHE N N 62 126.395 126.395 123.864 2.531 19876 333 1 1 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.266 -0.625 19876 334 1 1 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.444 0.500 19876 335 1 1 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.961 1.501 19876 336 1 1 . 1 1 62 62 PHE H H 62 8.681 8.681 8.644 0.037 19876 337 1 1 . 1 1 63 63 LYS N N 63 116.676 116.676 116.871 -0.195 19876 338 1 1 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.323 -0.291 19876 339 1 1 . 1 1 63 63 LYS C C 63 177.262 177.262 178.573 -1.311 19876 340 1 1 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.480 0.207 19876 341 1 1 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.150 0.699 19876 342 1 1 . 1 1 63 63 LYS H H 63 8.585 8.585 8.461 0.124 19876 343 1 1 . 1 1 64 64 ILE N N 64 117.020 117.020 119.231 -2.211 19876 344 1 1 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.766 -0.243 19876 345 1 1 . 1 1 64 64 ILE C C 64 176.151 176.151 177.727 -1.576 19876 346 1 1 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.967 -0.974 19876 347 1 1 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.982 0.195 19876 348 1 1 . 1 1 64 64 ILE H H 64 6.751 6.751 7.897 -1.146 19876 349 1 1 . 1 1 65 65 LYS N N 65 120.165 120.165 116.807 3.358 19876 350 1 1 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.140 -0.701 19876 351 1 1 . 1 1 65 65 LYS C C 65 175.133 175.133 175.984 -0.851 19876 352 1 1 . 1 1 65 65 LYS CA C 65 58.955 58.955 57.542 1.413 19876 353 1 1 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.061 -0.104 19876 354 1 1 . 1 1 65 65 LYS H H 65 7.058 7.058 7.626 -0.568 19876 355 1 1 . 1 1 66 66 TYR N N 66 115.421 115.421 118.379 -2.958 19876 356 1 1 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.655 0.233 19876 357 1 1 . 1 1 66 66 TYR C C 66 173.061 173.061 172.422 0.639 19876 358 1 1 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.684 -1.155 19876 359 1 1 . 1 1 66 66 TYR CB C 66 36.669 36.669 41.229 -4.560 19876 360 1 1 . 1 1 66 66 TYR H H 66 7.784 7.784 7.333 0.451 19876 361 1 1 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.658 -0.301 19876 362 1 1 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.934 0.576 19876 363 1 1 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.475 -0.570 19876 364 1 1 . 1 1 68 68 ASP N N 68 117.110 117.110 119.278 -2.168 19876 365 1 1 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.264 0.463 19876 366 1 1 . 1 1 68 68 ASP C C 68 175.024 175.024 176.494 -1.470 19876 367 1 1 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.706 -0.963 19876 368 1 1 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.561 -0.067 19876 369 1 1 . 1 1 68 68 ASP H H 68 8.548 8.548 7.643 0.905 19876 370 1 1 . 1 1 69 69 ASP N N 69 122.994 122.994 116.273 6.721 19876 371 1 1 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.517 0.474 19876 372 1 1 . 1 1 69 69 ASP C C 69 174.782 174.782 177.863 -3.081 19876 373 1 1 . 1 1 69 69 ASP CA C 69 54.315 54.315 54.278 0.037 19876 374 1 1 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.257 -0.094 19876 375 1 1 . 1 1 69 69 ASP H H 69 7.545 7.545 7.993 -0.448 19876 376 1 1 . 1 1 70 70 GLY N N 70 107.712 107.712 108.527 -0.815 19876 377 1 1 . 1 1 70 70 GLY C C 70 173.987 173.987 175.462 -1.475 19876 378 1 1 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.865 -0.533 19876 379 1 1 . 1 1 70 70 GLY H H 70 7.879 7.879 7.900 -0.021 19876 380 1 1 . 1 1 71 71 ASP N N 71 119.785 119.785 121.518 -1.733 19876 381 1 1 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.652 -0.457 19876 382 1 1 . 1 1 71 71 ASP C C 71 177.114 177.114 178.438 -1.324 19876 383 1 1 . 1 1 71 71 ASP CA C 71 57.052 57.052 56.023 1.029 19876 384 1 1 . 1 1 71 71 ASP CB C 71 39.345 39.345 39.904 -0.559 19876 385 1 1 . 1 1 71 71 ASP H H 71 8.447 8.447 8.209 0.238 19876 386 1 1 . 1 1 72 72 LEU N N 72 119.776 119.776 121.890 -2.114 19876 387 1 1 . 1 1 72 72 LEU HA H 72 3.867 3.867 4.018 -0.151 19876 388 1 1 . 1 1 72 72 LEU C C 72 176.531 176.531 178.140 -1.609 19876 389 1 1 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.445 0.007 19876 390 1 1 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.464 0.271 19876 391 1 1 . 1 1 72 72 LEU H H 72 7.562 7.562 7.756 -0.194 19876 392 1 1 . 1 1 73 73 SER N N 73 113.964 113.964 115.970 -2.006 19876 393 1 1 . 1 1 73 73 SER HA H 73 3.605 3.605 4.008 -0.403 19876 394 1 1 . 1 1 73 73 SER C C 73 174.610 174.610 176.481 -1.871 19876 395 1 1 . 1 1 73 73 SER CA C 73 62.161 62.161 61.799 0.362 19876 396 1 1 . 1 1 73 73 SER CB C 73 62.158 62.158 62.399 -0.241 19876 397 1 1 . 1 1 73 73 SER H H 73 8.050 8.050 8.688 -0.638 19876 398 1 1 . 1 1 74 74 GLU N N 74 119.742 119.742 122.901 -3.159 19876 399 1 1 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.311 -0.240 19876 400 1 1 . 1 1 74 74 GLU C C 74 178.089 178.089 178.717 -0.628 19876 401 1 1 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.136 -0.034 19876 402 1 1 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.307 -0.094 19876 403 1 1 . 1 1 74 74 GLU H H 74 8.623 8.623 8.439 0.184 19876 404 1 1 . 1 1 75 75 LEU N N 75 122.325 122.325 122.418 -0.093 19876 405 1 1 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.246 -0.003 19876 406 1 1 . 1 1 75 75 LEU C C 75 177.962 177.962 179.159 -1.197 19876 407 1 1 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.171 0.209 19876 408 1 1 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.078 0.326 19876 409 1 1 . 1 1 75 75 LEU H H 75 7.255 7.255 8.100 -0.845 19876 410 1 1 . 1 1 76 76 VAL N N 76 119.514 119.514 119.417 0.097 19876 411 1 1 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.605 -0.018 19876 412 1 1 . 1 1 76 76 VAL C C 76 176.909 176.909 178.553 -1.644 19876 413 1 1 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.316 -0.056 19876 414 1 1 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.890 0.054 19876 415 1 1 . 1 1 76 76 VAL H H 76 8.235 8.235 8.548 -0.313 19876 416 1 1 . 1 1 77 77 GLU N N 77 118.692 118.692 119.999 -1.307 19876 417 1 1 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.936 -0.197 19876 418 1 1 . 1 1 77 77 GLU C C 77 177.692 177.692 179.261 -1.569 19876 419 1 1 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.240 0.767 19876 420 1 1 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.267 -0.110 19876 421 1 1 . 1 1 77 77 GLU H H 77 8.204 8.204 8.896 -0.692 19876 422 1 1 . 1 1 78 78 GLU N N 78 121.945 121.945 120.252 1.693 19876 423 1 1 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.043 -0.015 19876 424 1 1 . 1 1 78 78 GLU C C 78 176.559 176.559 179.096 -2.537 19876 425 1 1 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.549 0.025 19876 426 1 1 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.649 0.235 19876 427 1 1 . 1 1 78 78 GLU H H 78 8.058 8.058 8.637 -0.579 19876 428 1 1 . 1 1 79 79 TYR N N 79 119.945 119.945 121.222 -1.277 19876 429 1 1 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.301 0.099 19876 430 1 1 . 1 1 79 79 TYR C C 79 178.365 178.365 178.240 0.125 19876 431 1 1 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.423 -0.322 19876 432 1 1 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.351 0.287 19876 433 1 1 . 1 1 79 79 TYR H H 79 8.347 8.347 8.529 -0.182 19876 434 1 1 . 1 1 80 80 LEU N N 80 123.586 123.586 119.616 3.970 19876 435 1 1 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.900 -0.251 19876 436 1 1 . 1 1 80 80 LEU C C 80 177.594 177.594 179.337 -1.743 19876 437 1 1 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.215 0.464 19876 438 1 1 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.064 -0.422 19876 439 1 1 . 1 1 80 80 LEU H H 80 9.113 9.113 8.764 0.349 19876 440 1 1 . 1 1 81 81 ASP N N 81 121.522 121.522 119.462 2.060 19876 441 1 1 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.478 -0.072 19876 442 1 1 . 1 1 81 81 ASP C C 81 178.021 178.021 178.572 -0.551 19876 443 1 1 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.411 -0.722 19876 444 1 1 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.892 -0.249 19876 445 1 1 . 1 1 81 81 ASP H H 81 8.228 8.228 8.768 -0.540 19876 446 1 1 . 1 1 82 82 ASP N N 82 120.931 120.931 119.716 1.215 19876 447 1 1 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.446 -0.024 19876 448 1 1 . 1 1 82 82 ASP C C 82 178.342 178.342 178.858 -0.516 19876 449 1 1 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.838 0.069 19876 450 1 1 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.840 -0.007 19876 451 1 1 . 1 1 82 82 ASP H H 82 9.139 9.139 8.600 0.539 19876 452 1 1 . 1 1 83 83 THR N N 83 118.686 118.686 117.924 0.762 19876 453 1 1 . 1 1 83 83 THR HA H 83 3.415 3.415 3.456 -0.041 19876 454 1 1 . 1 1 83 83 THR C C 83 173.663 173.663 176.382 -2.719 19876 455 1 1 . 1 1 83 83 THR CA C 83 67.258 67.258 66.967 0.291 19876 456 1 1 . 1 1 83 83 THR CB C 83 68.017 68.017 69.104 -1.087 19876 457 1 1 . 1 1 83 83 THR H H 83 8.394 8.394 8.796 -0.402 19876 458 1 1 . 1 1 84 84 TYR N N 84 122.004 122.004 122.112 -0.108 19876 459 1 1 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.098 -0.355 19876 460 1 1 . 1 1 84 84 TYR C C 84 177.983 177.983 177.561 0.422 19876 461 1 1 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.173 0.934 19876 462 1 1 . 1 1 84 84 TYR CB C 84 38.451 38.451 37.906 0.545 19876 463 1 1 . 1 1 84 84 TYR H H 84 8.561 8.561 8.826 -0.265 19876 464 1 1 . 1 1 85 85 THR N N 85 116.249 116.249 115.869 0.380 19876 465 1 1 . 1 1 85 85 THR HA H 85 3.409 3.409 3.297 0.112 19876 466 1 1 . 1 1 85 85 THR C C 85 174.628 174.628 176.969 -2.341 19876 467 1 1 . 1 1 85 85 THR CA C 85 66.483 66.483 66.096 0.387 19876 468 1 1 . 1 1 85 85 THR CB C 85 68.604 68.604 68.466 0.138 19876 469 1 1 . 1 1 85 85 THR H H 85 8.749 8.749 8.285 0.464 19876 470 1 1 . 1 1 86 86 LEU N N 86 121.835 121.835 123.157 -1.322 19876 471 1 1 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.971 -0.416 19876 472 1 1 . 1 1 86 86 LEU C C 86 176.057 176.057 179.258 -3.201 19876 473 1 1 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.449 0.557 19876 474 1 1 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.456 1.317 19876 475 1 1 . 1 1 86 86 LEU H H 86 7.257 7.257 8.442 -1.185 19876 476 1 1 . 1 1 87 87 PHE N N 87 111.264 111.264 115.425 -4.161 19876 477 1 1 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.227 -0.250 19876 478 1 1 . 1 1 87 87 PHE C C 87 174.687 174.687 177.450 -2.763 19876 479 1 1 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.082 0.658 19876 480 1 1 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.744 0.687 19876 481 1 1 . 1 1 87 87 PHE H H 87 7.168 7.168 7.922 -0.754 19876 482 1 1 . 1 1 88 88 SER N N 88 112.848 112.848 112.665 0.183 19876 483 1 1 . 1 1 88 88 SER HA H 88 4.207 4.207 4.326 -0.119 19876 484 1 1 . 1 1 88 88 SER C C 88 172.760 172.760 174.486 -1.726 19876 485 1 1 . 1 1 88 88 SER CA C 88 58.725 58.725 59.774 -1.049 19876 486 1 1 . 1 1 88 88 SER CB C 88 63.342 63.342 63.560 -0.218 19876 487 1 1 . 1 1 88 88 SER H H 88 7.290 7.290 7.530 -0.240 19876 488 1 1 . 1 1 89 89 SER N N 89 116.554 116.554 116.475 0.079 19876 489 1 1 . 1 1 89 89 SER HA H 89 4.347 4.347 4.601 -0.254 19876 490 1 1 . 1 1 89 89 SER C C 89 172.251 172.251 173.987 -1.736 19876 491 1 1 . 1 1 89 89 SER CA C 89 57.597 57.597 57.504 0.093 19876 492 1 1 . 1 1 89 89 SER CB C 89 64.426 64.426 64.473 -0.047 19876 493 1 1 . 1 1 89 89 SER H H 89 7.064 7.064 7.699 -0.635 19876 494 1 1 . 1 1 90 90 TYR N N 90 122.348 122.348 124.184 -1.836 19876 495 1 1 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.539 -0.196 19876 496 1 1 . 1 1 90 90 TYR C C 90 175.043 175.043 176.535 -1.492 19876 497 1 1 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.266 -2.294 19876 498 1 1 . 1 1 90 90 TYR CB C 90 37.626 37.626 39.260 -1.634 19876 499 1 1 . 1 1 90 90 TYR H H 90 8.446 8.446 8.809 -0.363 19876 500 1 1 . 1 1 91 91 GLY N N 91 111.349 111.349 103.210 8.139 19876 501 1 1 . 1 1 91 91 GLY C C 91 170.874 170.874 173.386 -2.512 19876 502 1 1 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.353 1.381 19876 503 1 1 . 1 1 91 91 GLY H H 91 7.820 7.820 8.047 -0.227 19876 504 1 1 . 1 1 92 92 ILE N N 92 121.703 121.703 120.945 0.758 19876 505 1 1 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.855 0.023 19876 506 1 1 . 1 1 92 92 ILE C C 92 173.956 173.956 175.904 -1.948 19876 507 1 1 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.143 -0.016 19876 508 1 1 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.484 0.958 19876 509 1 1 . 1 1 92 92 ILE H H 92 8.032 8.032 8.280 -0.248 19876 510 1 1 . 1 1 93 93 ASN N N 93 125.791 125.791 127.238 -1.447 19876 511 1 1 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.780 0.134 19876 512 1 1 . 1 1 93 93 ASN C C 93 173.468 173.468 175.696 -2.228 19876 513 1 1 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.539 -1.097 19876 514 1 1 . 1 1 93 93 ASN CB C 93 40.147 40.147 39.362 0.784 19876 515 1 1 . 1 1 93 93 ASN H H 93 8.423 8.423 8.612 -0.189 19876 516 1 1 . 1 1 94 94 ASP N N 94 122.019 122.019 127.181 -5.162 19876 517 1 1 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.390 0.101 19876 518 1 1 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.009 0.109 19876 519 1 1 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.798 0.490 19876 520 1 1 . 1 1 94 94 ASP H H 94 8.710 8.710 8.940 -0.230 19876 521 1 1 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.294 -0.140 19876 522 1 1 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.218 0.336 19876 523 1 1 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.234 -0.485 19876 524 1 1 . 1 1 96 96 GLU N N 96 117.965 117.965 118.203 -0.238 19876 525 1 1 . 1 1 96 96 GLU HA H 96 3.861 3.861 3.999 -0.138 19876 526 1 1 . 1 1 96 96 GLU C C 96 177.730 177.730 179.176 -1.446 19876 527 1 1 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.383 0.499 19876 528 1 1 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.879 -0.041 19876 529 1 1 . 1 1 96 96 GLU H H 96 7.954 7.954 8.418 -0.464 19876 530 1 1 . 1 1 97 97 LEU N N 97 124.427 124.427 122.185 2.242 19876 531 1 1 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.914 0.195 19876 532 1 1 . 1 1 97 97 LEU C C 97 177.211 177.211 179.015 -1.804 19876 533 1 1 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.377 -0.326 19876 534 1 1 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.736 0.035 19876 535 1 1 . 1 1 97 97 LEU H H 97 7.825 7.825 8.608 -0.783 19876 536 1 1 . 1 1 98 98 GLN N N 98 117.195 117.195 116.883 0.312 19876 537 1 1 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.030 -0.040 19876 538 1 1 . 1 1 98 98 GLN C C 98 177.762 177.762 178.749 -0.987 19876 539 1 1 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.557 0.066 19876 540 1 1 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.886 0.115 19876 541 1 1 . 1 1 98 98 GLN H H 98 8.481 8.481 8.837 -0.356 19876 542 1 1 . 1 1 99 99 ARG N N 99 119.687 119.687 121.253 -1.566 19876 543 1 1 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.108 -0.186 19876 544 1 1 . 1 1 99 99 ARG C C 99 176.055 176.055 178.316 -2.261 19876 545 1 1 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.129 0.484 19876 546 1 1 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.052 0.270 19876 547 1 1 . 1 1 99 99 ARG H H 99 7.836 7.836 8.342 -0.506 19876 548 1 1 . 1 1 100 100 TRP N N 100 119.762 119.762 121.942 -2.180 19876 549 1 1 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.650 -0.421 19876 550 1 1 . 1 1 100 100 TRP C C 100 176.004 176.004 178.846 -2.842 19876 551 1 1 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.440 0.565 19876 552 1 1 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.090 -0.141 19876 553 1 1 . 1 1 100 100 TRP H H 100 7.731 7.731 9.122 -1.391 19876 554 1 1 . 1 1 101 101 GLN N N 101 115.464 115.464 117.414 -1.950 19876 555 1 1 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.687 -0.202 19876 556 1 1 . 1 1 101 101 GLN C C 101 177.498 177.498 178.660 -1.162 19876 557 1 1 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.297 -0.133 19876 558 1 1 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.007 0.075 19876 559 1 1 . 1 1 101 101 GLN H H 101 8.277 8.277 8.669 -0.392 19876 560 1 1 . 1 1 102 102 LYS N N 102 119.856 119.856 120.426 -0.570 19876 561 1 1 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.853 0.059 19876 562 1 1 . 1 1 102 102 LYS C C 102 178.364 178.364 179.133 -0.769 19876 563 1 1 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.768 -0.589 19876 564 1 1 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.245 -0.420 19876 565 1 1 . 1 1 102 102 LYS H H 102 8.047 8.047 8.587 -0.540 19876 566 1 1 . 1 1 103 103 THR N N 103 121.217 121.217 115.678 5.539 19876 567 1 1 . 1 1 103 103 THR HA H 103 3.658 3.658 3.832 -0.174 19876 568 1 1 . 1 1 103 103 THR C C 103 174.266 174.266 176.387 -2.121 19876 569 1 1 . 1 1 103 103 THR CA C 103 66.206 66.206 66.592 -0.386 19876 570 1 1 . 1 1 103 103 THR CB C 103 67.515 67.515 68.747 -1.232 19876 571 1 1 . 1 1 103 103 THR H H 103 8.816 8.816 8.500 0.316 19876 572 1 1 . 1 1 104 104 LYS N N 104 122.265 122.265 120.962 1.303 19876 573 1 1 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.403 -0.352 19876 574 1 1 . 1 1 104 104 LYS C C 104 176.952 176.952 178.662 -1.710 19876 575 1 1 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.613 1.907 19876 576 1 1 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.572 -0.232 19876 577 1 1 . 1 1 104 104 LYS H H 104 8.258 8.258 7.708 0.550 19876 578 1 1 . 1 1 105 105 GLU N N 105 118.912 118.912 119.600 -0.688 19876 579 1 1 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.673 -0.075 19876 580 1 1 . 1 1 105 105 GLU C C 105 178.038 178.038 178.854 -0.816 19876 581 1 1 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.130 0.388 19876 582 1 1 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.650 0.382 19876 583 1 1 . 1 1 105 105 GLU H H 105 7.963 7.963 8.318 -0.355 19876 584 1 1 . 1 1 106 106 ARG N N 106 120.201 120.201 119.231 0.970 19876 585 1 1 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.912 -0.216 19876 586 1 1 . 1 1 106 106 ARG C C 106 177.744 177.744 178.869 -1.125 19876 587 1 1 . 1 1 106 106 ARG CA C 106 59.994 59.994 58.984 1.010 19876 588 1 1 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.960 0.828 19876 589 1 1 . 1 1 106 106 ARG H H 106 7.940 7.940 7.759 0.181 19876 590 1 1 . 1 1 107 107 LEU N N 107 120.982 120.982 120.322 0.660 19876 591 1 1 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.614 0.131 19876 592 1 1 . 1 1 107 107 LEU C C 107 176.173 176.173 178.912 -2.739 19876 593 1 1 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.656 -1.219 19876 594 1 1 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.718 -0.849 19876 595 1 1 . 1 1 107 107 LEU H H 107 8.242 8.242 8.087 0.155 19876 596 1 1 . 1 1 108 108 PHE N N 108 117.793 117.793 117.958 -0.165 19876 597 1 1 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.231 -0.229 19876 598 1 1 . 1 1 108 108 PHE C C 108 177.654 177.654 177.848 -0.194 19876 599 1 1 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.700 -0.511 19876 600 1 1 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.185 -1.400 19876 601 1 1 . 1 1 108 108 PHE H H 108 8.772 8.772 8.718 0.054 19876 602 1 1 . 1 1 109 109 ARG N N 109 121.726 121.726 118.741 2.985 19876 603 1 1 . 1 1 109 109 ARG HA H 109 4.006 4.006 3.939 0.067 19876 604 1 1 . 1 1 109 109 ARG C C 109 177.785 177.785 177.996 -0.211 19876 605 1 1 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.859 0.483 19876 606 1 1 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.661 0.137 19876 607 1 1 . 1 1 109 109 ARG H H 109 7.865 7.865 8.012 -0.147 19876 608 1 1 . 1 1 110 110 LEU N N 110 121.486 121.486 118.526 2.960 19876 609 1 1 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.779 0.315 19876 610 1 1 . 1 1 110 110 LEU C C 110 178.537 178.537 178.861 -0.324 19876 611 1 1 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.004 -0.163 19876 612 1 1 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.771 -0.950 19876 613 1 1 . 1 1 110 110 LEU H H 110 7.338 7.338 7.487 -0.149 19876 614 1 1 . 1 1 111 111 PHE N N 111 115.883 115.883 117.281 -1.398 19876 615 1 1 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.129 0.187 19876 616 1 1 . 1 1 111 111 PHE C C 111 175.369 175.369 178.279 -2.910 19876 617 1 1 . 1 1 111 111 PHE CA C 111 59.079 59.079 59.412 -0.333 19876 618 1 1 . 1 1 111 111 PHE CB C 111 38.511 38.511 37.676 0.835 19876 619 1 1 . 1 1 111 111 PHE H H 111 7.584 7.584 8.275 -0.691 19876 620 1 1 . 1 1 112 112 SER N N 112 111.693 111.693 113.904 -2.211 19876 621 1 1 . 1 1 112 112 SER HA H 112 4.329 4.329 4.366 -0.037 19876 622 1 1 . 1 1 112 112 SER C C 112 173.353 173.353 175.239 -1.886 19876 623 1 1 . 1 1 112 112 SER CA C 112 59.050 59.050 60.250 -1.200 19876 624 1 1 . 1 1 112 112 SER CB C 112 63.841 63.841 63.301 0.540 19876 625 1 1 . 1 1 112 112 SER H H 112 7.554 7.554 8.557 -1.003 19876 626 1 1 . 1 1 113 113 GLY N N 113 109.665 109.665 108.411 1.254 19876 627 1 1 . 1 1 113 113 GLY C C 113 173.407 173.407 174.233 -0.826 19876 628 1 1 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.042 0.332 19876 629 1 1 . 1 1 113 113 GLY H H 113 7.781 7.781 7.539 0.242 19876 630 1 1 . 1 1 114 114 GLU N N 114 121.028 121.028 121.036 -0.008 19876 631 1 1 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.075 -0.073 19876 632 1 1 . 1 1 114 114 GLU C C 114 175.971 175.971 176.954 -0.983 19876 633 1 1 . 1 1 114 114 GLU CA C 114 58.310 58.310 56.553 1.758 19876 634 1 1 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.618 0.546 19876 635 1 1 . 1 1 114 114 GLU H H 114 8.414 8.414 8.116 0.298 19876 636 1 1 . 1 1 115 115 TYR N N 115 118.828 118.828 114.154 4.674 19876 637 1 1 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.720 -0.408 19876 638 1 1 . 1 1 115 115 TYR C C 115 175.248 175.248 178.225 -2.977 19876 639 1 1 . 1 1 115 115 TYR CA C 115 59.734 59.734 58.504 1.230 19876 640 1 1 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.529 -0.158 19876 641 1 1 . 1 1 115 115 TYR H H 115 7.939 7.939 7.196 0.743 19876 642 1 1 . 1 1 116 116 ILE N N 116 120.412 120.412 120.981 -0.569 19876 643 1 1 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.631 0.112 19876 644 1 1 . 1 1 116 116 ILE C C 116 175.591 175.591 177.939 -2.348 19876 645 1 1 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.160 -2.024 19876 646 1 1 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.122 1.105 19876 647 1 1 . 1 1 116 116 ILE H H 116 7.892 7.892 7.830 0.062 19876 648 1 1 . 1 1 117 117 SER N N 117 117.142 117.142 112.485 4.657 19876 649 1 1 . 1 1 117 117 SER HA H 117 4.141 4.141 4.123 0.018 19876 650 1 1 . 1 1 117 117 SER C C 117 174.795 174.795 176.248 -1.453 19876 651 1 1 . 1 1 117 117 SER CA C 117 60.437 60.437 61.601 -1.164 19876 652 1 1 . 1 1 117 117 SER CB C 117 62.987 62.987 62.126 0.862 19876 653 1 1 . 1 1 117 117 SER H H 117 8.127 8.127 8.731 -0.604 19876 654 1 1 . 1 1 118 118 THR N N 118 115.779 115.779 114.533 1.246 19876 655 1 1 . 1 1 118 118 THR HA H 118 3.987 3.987 4.188 -0.201 19876 656 1 1 . 1 1 118 118 THR C C 118 174.025 174.025 176.528 -2.503 19876 657 1 1 . 1 1 118 118 THR CA C 118 64.026 64.026 64.111 -0.085 19876 658 1 1 . 1 1 118 118 THR CB C 118 68.953 68.953 68.984 -0.031 19876 659 1 1 . 1 1 118 118 THR H H 118 7.872 7.872 7.185 0.687 19876 660 1 1 . 1 1 119 119 LEU N N 119 122.845 122.845 123.929 -1.084 19876 661 1 1 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.023 0.025 19876 662 1 1 . 1 1 119 119 LEU C C 119 176.246 176.246 177.654 -1.408 19876 663 1 1 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.331 -1.250 19876 664 1 1 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.538 -0.333 19876 665 1 1 . 1 1 119 119 LEU H H 119 7.679 7.679 8.247 -0.568 19876 666 1 1 . 1 1 120 120 MET N N 120 117.447 117.447 115.336 2.111 19876 667 1 1 . 1 1 120 120 MET HA H 120 4.243 4.243 4.501 -0.258 19876 668 1 1 . 1 1 120 120 MET C C 120 174.594 174.594 175.908 -1.314 19876 669 1 1 . 1 1 120 120 MET CA C 120 55.470 55.470 54.962 0.508 19876 670 1 1 . 1 1 120 120 MET CB C 120 32.606 32.606 30.776 1.830 19876 671 1 1 . 1 1 120 120 MET H H 120 7.812 7.812 8.329 -0.517 19876 672 1 1 . 1 1 121 121 LYS N N 121 121.578 121.578 121.986 -0.408 19876 673 1 1 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.268 -0.033 19876 674 1 1 . 1 1 121 121 LYS C C 121 174.539 174.539 178.341 -3.802 19876 675 1 1 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.919 -2.438 19876 676 1 1 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.319 0.647 19876 677 1 1 . 1 1 121 121 LYS H H 121 7.790 7.790 7.767 0.023 19876 678 1 2 . 1 1 2 2 ASP N N 2 122.949 122.949 123.071 -0.122 19876 679 1 2 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.928 -0.484 19876 680 1 2 . 1 1 2 2 ASP C C 2 174.891 174.891 175.092 -0.201 19876 681 1 2 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.042 -0.420 19876 682 1 2 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.652 -1.333 19876 683 1 2 . 1 1 2 2 ASP H H 2 8.386 8.386 8.638 -0.252 19876 684 1 2 . 1 1 3 3 GLU N N 3 119.296 119.296 122.338 -3.042 19876 685 1 2 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.641 -0.777 19876 686 1 2 . 1 1 3 3 GLU C C 3 175.006 175.006 175.597 -0.591 19876 687 1 2 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.843 2.229 19876 688 1 2 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.284 0.283 19876 689 1 2 . 1 1 3 3 GLU H H 3 8.601 8.601 8.779 -0.178 19876 690 1 2 . 1 1 4 4 TYR N N 4 118.038 118.038 125.968 -7.930 19876 691 1 2 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.466 -0.013 19876 692 1 2 . 1 1 4 4 TYR C C 4 174.761 174.761 175.908 -1.147 19876 693 1 2 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.030 -2.456 19876 694 1 2 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.440 -0.445 19876 695 1 2 . 1 1 4 4 TYR H H 4 8.049 8.049 7.896 0.153 19876 696 1 2 . 1 1 5 5 SER N N 5 118.519 118.519 112.806 5.713 19876 697 1 2 . 1 1 5 5 SER HA H 5 4.444 4.444 4.743 -0.299 19876 698 1 2 . 1 1 5 5 SER C C 5 171.907 171.907 172.138 -0.231 19876 699 1 2 . 1 1 5 5 SER CA C 5 57.173 57.173 56.712 0.461 19876 700 1 2 . 1 1 5 5 SER CB C 5 62.104 62.104 63.658 -1.554 19876 701 1 2 . 1 1 5 5 SER H H 5 7.759 7.759 8.315 -0.556 19876 702 1 2 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.638 -0.194 19876 703 1 2 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.033 1.564 19876 704 1 2 . 1 1 6 6 PRO CB C 6 32.048 32.048 31.938 0.111 19876 705 1 2 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.050 -0.262 19876 706 1 2 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.057 0.443 19876 707 1 2 . 1 1 8 8 ARG CB C 8 29.581 29.581 28.871 0.710 19876 708 1 2 . 1 1 9 9 HIS N N 9 118.064 118.064 119.504 -1.440 19876 709 1 2 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.362 -0.080 19876 710 1 2 . 1 1 9 9 HIS C C 9 176.264 176.264 177.532 -1.268 19876 711 1 2 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.113 -0.070 19876 712 1 2 . 1 1 9 9 HIS CB C 9 30.389 30.389 30.261 0.129 19876 713 1 2 . 1 1 9 9 HIS H H 9 7.291 7.291 8.455 -1.164 19876 714 1 2 . 1 1 10 10 ASP N N 10 122.089 122.089 120.133 1.956 19876 715 1 2 . 1 1 10 10 ASP HA H 10 4.583 4.583 5.001 -0.418 19876 716 1 2 . 1 1 10 10 ASP C C 10 177.261 177.261 179.040 -1.779 19876 717 1 2 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.602 0.270 19876 718 1 2 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.127 0.442 19876 719 1 2 . 1 1 10 10 ASP H H 10 8.221 8.221 7.979 0.242 19876 720 1 2 . 1 1 11 11 VAL N N 11 119.318 119.318 121.608 -2.290 19876 721 1 2 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.058 -0.571 19876 722 1 2 . 1 1 11 11 VAL C C 11 175.661 175.661 178.221 -2.560 19876 723 1 2 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.979 -0.100 19876 724 1 2 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.203 0.223 19876 725 1 2 . 1 1 11 11 VAL H H 11 8.850 8.850 8.595 0.255 19876 726 1 2 . 1 1 12 12 ALA N N 12 121.749 121.749 121.266 0.483 19876 727 1 2 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.763 0.006 19876 728 1 2 . 1 1 12 12 ALA C C 12 179.484 179.484 179.677 -0.193 19876 729 1 2 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.520 -0.252 19876 730 1 2 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.281 -0.539 19876 731 1 2 . 1 1 12 12 ALA H H 12 7.676 7.676 8.311 -0.635 19876 732 1 2 . 1 1 13 13 GLN N N 13 119.544 119.544 118.917 0.627 19876 733 1 2 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.125 -0.117 19876 734 1 2 . 1 1 13 13 GLN C C 13 176.075 176.075 178.493 -2.418 19876 735 1 2 . 1 1 13 13 GLN CA C 13 58.232 58.232 58.995 -0.763 19876 736 1 2 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.533 -0.783 19876 737 1 2 . 1 1 13 13 GLN H H 13 8.151 8.151 8.382 -0.231 19876 738 1 2 . 1 1 14 14 LEU N N 14 121.127 121.127 121.246 -0.119 19876 739 1 2 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.276 -0.720 19876 740 1 2 . 1 1 14 14 LEU C C 14 176.935 176.935 178.267 -1.332 19876 741 1 2 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.645 -0.921 19876 742 1 2 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.846 -0.159 19876 743 1 2 . 1 1 14 14 LEU H H 14 7.889 7.889 8.935 -1.046 19876 744 1 2 . 1 1 15 15 LYS N N 15 120.458 120.458 119.102 1.356 19876 745 1 2 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.741 -0.079 19876 746 1 2 . 1 1 15 15 LYS C C 15 176.022 176.022 178.552 -2.530 19876 747 1 2 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.833 1.205 19876 748 1 2 . 1 1 15 15 LYS CB C 15 32.211 32.211 30.642 1.569 19876 749 1 2 . 1 1 15 15 LYS H H 15 8.174 8.174 7.797 0.377 19876 750 1 2 . 1 1 16 16 PHE N N 16 119.257 119.257 120.768 -1.511 19876 751 1 2 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.383 -0.196 19876 752 1 2 . 1 1 16 16 PHE C C 16 177.917 177.917 178.463 -0.546 19876 753 1 2 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.599 -0.269 19876 754 1 2 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.179 0.315 19876 755 1 2 . 1 1 16 16 PHE H H 16 7.855 7.855 7.808 0.047 19876 756 1 2 . 1 1 17 17 LEU N N 17 121.489 121.489 120.037 1.452 19876 757 1 2 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.982 -0.384 19876 758 1 2 . 1 1 17 17 LEU C C 17 177.988 177.988 179.320 -1.332 19876 759 1 2 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.289 -0.327 19876 760 1 2 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.275 1.423 19876 761 1 2 . 1 1 17 17 LEU H H 17 8.560 8.560 8.875 -0.315 19876 762 1 2 . 1 1 18 18 CYS N N 18 116.216 116.216 119.013 -2.797 19876 763 1 2 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.272 -0.037 19876 764 1 2 . 1 1 18 18 CYS C C 18 176.987 176.987 177.245 -0.258 19876 765 1 2 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.466 2.108 19876 766 1 2 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.206 1.098 19876 767 1 2 . 1 1 18 18 CYS H H 18 8.194 8.194 8.846 -0.652 19876 768 1 2 . 1 1 19 19 GLU N N 19 123.947 123.947 120.607 3.340 19876 769 1 2 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.078 -0.193 19876 770 1 2 . 1 1 19 19 GLU C C 19 176.436 176.436 179.399 -2.963 19876 771 1 2 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.857 0.029 19876 772 1 2 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.241 0.039 19876 773 1 2 . 1 1 19 19 GLU H H 19 8.842 8.842 9.043 -0.201 19876 774 1 2 . 1 1 20 20 SER N N 20 116.500 116.500 115.562 0.938 19876 775 1 2 . 1 1 20 20 SER HA H 20 4.056 4.056 4.292 -0.236 19876 776 1 2 . 1 1 20 20 SER C C 20 174.835 174.835 176.711 -1.876 19876 777 1 2 . 1 1 20 20 SER CA C 20 61.729 61.729 61.709 0.020 19876 778 1 2 . 1 1 20 20 SER CB C 20 62.360 62.360 63.020 -0.660 19876 779 1 2 . 1 1 20 20 SER H H 20 8.198 8.198 8.620 -0.422 19876 780 1 2 . 1 1 21 21 LEU N N 21 121.186 121.186 123.418 -2.232 19876 781 1 2 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.081 -0.170 19876 782 1 2 . 1 1 21 21 LEU C C 21 175.905 175.905 178.274 -2.369 19876 783 1 2 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.260 -0.307 19876 784 1 2 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.115 -0.506 19876 785 1 2 . 1 1 21 21 LEU H H 21 7.970 7.970 8.337 -0.367 19876 786 1 2 . 1 1 22 22 TYR N N 22 119.690 119.690 119.840 -0.150 19876 787 1 2 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.374 -0.056 19876 788 1 2 . 1 1 22 22 TYR C C 22 175.453 175.453 178.161 -2.708 19876 789 1 2 . 1 1 22 22 TYR CA C 22 62.240 62.240 62.221 0.019 19876 790 1 2 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.143 -1.000 19876 791 1 2 . 1 1 22 22 TYR H H 22 7.473 7.473 9.454 -1.981 19876 792 1 2 . 1 1 23 23 ASP N N 23 118.291 118.291 117.559 0.732 19876 793 1 2 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.572 -0.525 19876 794 1 2 . 1 1 23 23 ASP C C 23 178.796 178.796 178.586 0.210 19876 795 1 2 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.613 -0.329 19876 796 1 2 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.921 -1.038 19876 797 1 2 . 1 1 23 23 ASP H H 23 8.249 8.249 7.992 0.257 19876 798 1 2 . 1 1 24 24 GLU N N 24 120.605 120.605 120.084 0.521 19876 799 1 2 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.969 -0.038 19876 800 1 2 . 1 1 24 24 GLU C C 24 178.457 178.457 179.529 -1.072 19876 801 1 2 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.362 -0.801 19876 802 1 2 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.292 -0.370 19876 803 1 2 . 1 1 24 24 GLU H H 24 8.347 8.347 7.921 0.426 19876 804 1 2 . 1 1 25 25 GLY N N 25 111.777 111.777 108.862 2.915 19876 805 1 2 . 1 1 25 25 GLY C C 25 173.906 173.906 176.132 -2.226 19876 806 1 2 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.197 0.271 19876 807 1 2 . 1 1 25 25 GLY H H 25 8.701 8.701 9.082 -0.381 19876 808 1 2 . 1 1 26 26 ILE N N 26 122.263 122.263 123.670 -1.407 19876 809 1 2 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.712 0.045 19876 810 1 2 . 1 1 26 26 ILE C C 26 178.116 178.116 178.427 -0.311 19876 811 1 2 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.839 -1.608 19876 812 1 2 . 1 1 26 26 ILE CB C 26 35.688 35.688 37.067 -1.379 19876 813 1 2 . 1 1 26 26 ILE H H 26 8.717 8.717 8.340 0.377 19876 814 1 2 . 1 1 27 27 ALA N N 27 122.092 122.092 122.115 -0.023 19876 815 1 2 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.038 -0.078 19876 816 1 2 . 1 1 27 27 ALA C C 27 178.428 178.428 179.333 -0.905 19876 817 1 2 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.058 -0.565 19876 818 1 2 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.584 -0.534 19876 819 1 2 . 1 1 27 27 ALA H H 27 7.672 7.672 8.619 -0.947 19876 820 1 2 . 1 1 28 28 THR N N 28 115.031 115.031 114.273 0.758 19876 821 1 2 . 1 1 28 28 THR HA H 28 3.734 3.734 4.211 -0.477 19876 822 1 2 . 1 1 28 28 THR C C 28 174.403 174.403 177.217 -2.814 19876 823 1 2 . 1 1 28 28 THR CA C 28 65.750 65.750 66.010 -0.260 19876 824 1 2 . 1 1 28 28 THR CB C 28 68.530 68.530 69.370 -0.840 19876 825 1 2 . 1 1 28 28 THR H H 28 7.554 7.554 7.755 -0.201 19876 826 1 2 . 1 1 29 29 LEU N N 29 121.356 121.356 121.997 -0.641 19876 827 1 2 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.084 -0.274 19876 828 1 2 . 1 1 29 29 LEU C C 29 176.694 176.694 178.669 -1.975 19876 829 1 2 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.022 -0.528 19876 830 1 2 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.476 0.703 19876 831 1 2 . 1 1 29 29 LEU H H 29 7.580 7.580 8.970 -1.390 19876 832 1 2 . 1 1 30 30 GLY CA C 30 44.903 44.903 45.285 -0.382 19876 833 1 2 . 1 1 31 31 ASP N N 31 119.983 119.983 119.951 0.032 19876 834 1 2 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.930 -0.367 19876 835 1 2 . 1 1 31 31 ASP C C 31 175.609 175.609 174.403 1.206 19876 836 1 2 . 1 1 31 31 ASP CA C 31 53.883 53.883 52.756 1.127 19876 837 1 2 . 1 1 31 31 ASP CB C 31 41.558 41.558 44.041 -2.483 19876 838 1 2 . 1 1 31 31 ASP H H 31 8.017 8.017 7.672 0.345 19876 839 1 2 . 1 1 32 32 SER N N 32 118.027 118.027 114.870 3.157 19876 840 1 2 . 1 1 32 32 SER HA H 32 4.191 4.191 4.969 -0.778 19876 841 1 2 . 1 1 32 32 SER C C 32 178.747 178.747 174.396 4.351 19876 842 1 2 . 1 1 32 32 SER CA C 32 59.247 59.247 57.730 1.517 19876 843 1 2 . 1 1 32 32 SER CB C 32 63.224 63.224 64.591 -1.367 19876 844 1 2 . 1 1 32 32 SER H H 32 8.284 8.284 8.455 -0.171 19876 845 1 2 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.071 0.274 19876 846 1 2 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.842 -2.813 19876 847 1 2 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.786 -0.227 19876 848 1 2 . 1 1 34 34 HIS N N 34 117.885 117.885 114.089 3.796 19876 849 1 2 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.668 -0.184 19876 850 1 2 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.957 -0.010 19876 851 1 2 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.773 -0.007 19876 852 1 2 . 1 1 34 34 HIS H H 34 7.896 7.896 7.589 0.307 19876 853 1 2 . 1 1 35 35 GLY N N 35 108.681 108.681 106.652 2.029 19876 854 1 2 . 1 1 35 35 GLY C C 35 172.466 172.466 174.026 -1.560 19876 855 1 2 . 1 1 35 35 GLY CA C 35 45.299 45.299 46.369 -1.070 19876 856 1 2 . 1 1 35 35 GLY H H 35 7.864 7.864 8.491 -0.627 19876 857 1 2 . 1 1 36 36 TRP N N 36 120.973 120.973 120.464 0.509 19876 858 1 2 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.934 -0.440 19876 859 1 2 . 1 1 36 36 TRP C C 36 174.594 174.594 175.738 -1.144 19876 860 1 2 . 1 1 36 36 TRP CA C 36 57.866 57.866 58.877 -1.011 19876 861 1 2 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.793 -1.206 19876 862 1 2 . 1 1 36 36 TRP H H 36 7.809 7.809 8.058 -0.249 19876 863 1 2 . 1 1 37 37 VAL N N 37 122.778 122.778 113.609 9.169 19876 864 1 2 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.487 -0.700 19876 865 1 2 . 1 1 37 37 VAL C C 37 173.396 173.396 175.116 -1.720 19876 866 1 2 . 1 1 37 37 VAL CA C 37 61.284 61.284 59.799 1.485 19876 867 1 2 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.552 -0.018 19876 868 1 2 . 1 1 37 37 VAL H H 37 7.712 7.712 8.016 -0.304 19876 869 1 2 . 1 1 38 38 ASN N N 38 121.869 121.869 119.882 1.987 19876 870 1 2 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.964 -0.729 19876 871 1 2 . 1 1 38 38 ASN C C 38 172.186 172.186 173.750 -1.564 19876 872 1 2 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.394 1.676 19876 873 1 2 . 1 1 38 38 ASN CB C 38 40.629 40.629 41.565 -0.936 19876 874 1 2 . 1 1 38 38 ASN H H 38 7.768 7.768 9.204 -1.436 19876 875 1 2 . 1 1 39 39 ASP N N 39 123.332 123.332 121.734 1.598 19876 876 1 2 . 1 1 39 39 ASP HA H 39 4.859 4.859 5.310 -0.451 19876 877 1 2 . 1 1 39 39 ASP C C 39 173.301 173.301 175.720 -2.419 19876 878 1 2 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.028 -1.168 19876 879 1 2 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.161 -0.453 19876 880 1 2 . 1 1 39 39 ASP H H 39 8.300 8.300 8.615 -0.315 19876 881 1 2 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.494 -0.338 19876 882 1 2 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.620 -0.686 19876 883 1 2 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.144 0.748 19876 884 1 2 . 1 1 41 41 THR N N 41 107.824 107.824 105.910 1.914 19876 885 1 2 . 1 1 41 41 THR HA H 41 4.191 4.191 4.382 -0.191 19876 886 1 2 . 1 1 41 41 THR C C 41 173.405 173.405 174.663 -1.258 19876 887 1 2 . 1 1 41 41 THR CA C 41 61.283 61.283 60.091 1.192 19876 888 1 2 . 1 1 41 41 THR CB C 41 69.351 69.351 69.030 0.321 19876 889 1 2 . 1 1 41 41 THR H H 41 7.923 7.923 7.755 0.168 19876 890 1 2 . 1 1 42 42 SER N N 42 118.745 118.745 117.538 1.207 19876 891 1 2 . 1 1 42 42 SER HA H 42 4.187 4.187 4.085 0.102 19876 892 1 2 . 1 1 42 42 SER C C 42 172.750 172.750 175.125 -2.375 19876 893 1 2 . 1 1 42 42 SER CA C 42 58.320 58.320 58.033 0.287 19876 894 1 2 . 1 1 42 42 SER CB C 42 64.569 64.569 64.466 0.103 19876 895 1 2 . 1 1 42 42 SER H H 42 7.705 7.705 7.982 -0.277 19876 896 1 2 . 1 1 43 43 ALA N N 43 124.591 124.591 126.507 -1.916 19876 897 1 2 . 1 1 43 43 ALA HA H 43 3.960 3.960 4.040 -0.080 19876 898 1 2 . 1 1 43 43 ALA C C 43 178.795 178.795 179.568 -0.773 19876 899 1 2 . 1 1 43 43 ALA CA C 43 55.136 55.136 54.942 0.194 19876 900 1 2 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.489 -0.346 19876 901 1 2 . 1 1 43 43 ALA H H 43 8.540 8.540 8.659 -0.119 19876 902 1 2 . 1 1 44 44 VAL N N 44 115.734 115.734 116.309 -0.575 19876 903 1 2 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.588 0.131 19876 904 1 2 . 1 1 44 44 VAL C C 44 176.057 176.057 177.560 -1.503 19876 905 1 2 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.323 -0.621 19876 906 1 2 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.516 0.219 19876 907 1 2 . 1 1 44 44 VAL H H 44 7.836 7.836 7.353 0.483 19876 908 1 2 . 1 1 45 45 ASN N N 45 123.038 123.038 119.846 3.192 19876 909 1 2 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.721 0.323 19876 910 1 2 . 1 1 45 45 ASN C C 45 176.022 176.022 177.898 -1.876 19876 911 1 2 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.485 0.350 19876 912 1 2 . 1 1 45 45 ASN CB C 45 37.721 37.721 37.944 -0.223 19876 913 1 2 . 1 1 45 45 ASN H H 45 7.709 7.709 7.983 -0.274 19876 914 1 2 . 1 1 46 46 LEU N N 46 122.005 122.005 120.557 1.448 19876 915 1 2 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.874 0.052 19876 916 1 2 . 1 1 46 46 LEU C C 46 178.192 178.192 178.727 -0.535 19876 917 1 2 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.430 -0.387 19876 918 1 2 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.548 -0.718 19876 919 1 2 . 1 1 46 46 LEU H H 46 8.239 8.239 8.814 -0.575 19876 920 1 2 . 1 1 47 47 GLN N N 47 119.394 119.394 119.191 0.203 19876 921 1 2 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.907 0.064 19876 922 1 2 . 1 1 47 47 GLN C C 47 177.762 177.762 178.709 -0.947 19876 923 1 2 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.331 -0.640 19876 924 1 2 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.681 -0.554 19876 925 1 2 . 1 1 47 47 GLN H H 47 7.825 7.825 7.489 0.337 19876 926 1 2 . 1 1 48 48 LEU N N 48 122.808 122.808 120.282 2.526 19876 927 1 2 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.825 -0.082 19876 928 1 2 . 1 1 48 48 LEU C C 48 177.366 177.366 178.754 -1.388 19876 929 1 2 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.504 -0.230 19876 930 1 2 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.158 0.301 19876 931 1 2 . 1 1 48 48 LEU H H 48 7.625 7.625 8.820 -1.195 19876 932 1 2 . 1 1 49 49 ASN N N 49 117.784 117.784 118.477 -0.693 19876 933 1 2 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.394 -0.108 19876 934 1 2 . 1 1 49 49 ASN C C 49 176.893 176.893 177.452 -0.559 19876 935 1 2 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.390 -1.254 19876 936 1 2 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.309 -0.700 19876 937 1 2 . 1 1 49 49 ASN H H 49 7.797 7.797 8.210 -0.413 19876 938 1 2 . 1 1 50 50 ASP N N 50 120.887 120.887 121.480 -0.593 19876 939 1 2 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.620 -0.316 19876 940 1 2 . 1 1 50 50 ASP C C 50 177.452 177.452 178.885 -1.433 19876 941 1 2 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.474 -0.087 19876 942 1 2 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.173 -0.583 19876 943 1 2 . 1 1 50 50 ASP H H 50 7.868 7.868 8.502 -0.634 19876 944 1 2 . 1 1 51 51 LEU N N 51 123.117 123.117 120.787 2.330 19876 945 1 2 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.859 0.299 19876 946 1 2 . 1 1 51 51 LEU C C 51 177.345 177.345 179.092 -1.747 19876 947 1 2 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.274 -1.310 19876 948 1 2 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.081 -1.080 19876 949 1 2 . 1 1 51 51 LEU H H 51 7.627 7.627 8.486 -0.859 19876 950 1 2 . 1 1 52 52 ILE N N 52 120.007 120.007 118.614 1.393 19876 951 1 2 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.571 -0.204 19876 952 1 2 . 1 1 52 52 ILE C C 52 176.246 176.246 178.145 -1.899 19876 953 1 2 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.855 1.165 19876 954 1 2 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.648 0.534 19876 955 1 2 . 1 1 52 52 ILE H H 52 8.309 8.309 8.836 -0.527 19876 956 1 2 . 1 1 53 53 GLU N N 53 117.619 117.619 118.660 -1.041 19876 957 1 2 . 1 1 53 53 GLU HA H 53 3.931 3.931 4.029 -0.098 19876 958 1 2 . 1 1 53 53 GLU C C 53 178.193 178.193 179.041 -0.848 19876 959 1 2 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.638 -0.185 19876 960 1 2 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.447 -0.099 19876 961 1 2 . 1 1 53 53 GLU H H 53 7.965 7.965 7.856 0.109 19876 962 1 2 . 1 1 54 54 HIS N N 54 120.335 120.335 120.410 -0.075 19876 963 1 2 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.356 -0.044 19876 964 1 2 . 1 1 54 54 HIS C C 54 177.331 177.331 178.037 -0.706 19876 965 1 2 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.641 -0.079 19876 966 1 2 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.866 0.331 19876 967 1 2 . 1 1 54 54 HIS H H 54 8.117 8.117 8.581 -0.464 19876 968 1 2 . 1 1 55 55 ILE N N 55 120.694 120.694 119.068 1.626 19876 969 1 2 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.899 -0.460 19876 970 1 2 . 1 1 55 55 ILE C C 55 176.281 176.281 177.763 -1.482 19876 971 1 2 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.192 0.759 19876 972 1 2 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.654 -0.625 19876 973 1 2 . 1 1 55 55 ILE H H 55 8.655 8.655 8.937 -0.282 19876 974 1 2 . 1 1 56 56 ALA N N 56 123.896 123.896 124.168 -0.272 19876 975 1 2 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.927 -0.166 19876 976 1 2 . 1 1 56 56 ALA C C 56 179.581 179.581 179.631 -0.050 19876 977 1 2 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.640 -0.028 19876 978 1 2 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.090 -0.441 19876 979 1 2 . 1 1 56 56 ALA H H 56 9.063 9.063 8.635 0.428 19876 980 1 2 . 1 1 57 57 SER N N 57 114.014 114.014 115.439 -1.425 19876 981 1 2 . 1 1 57 57 SER HA H 57 4.165 4.165 4.211 -0.046 19876 982 1 2 . 1 1 57 57 SER C C 57 175.540 175.540 176.622 -1.082 19876 983 1 2 . 1 1 57 57 SER CA C 57 61.491 61.491 61.875 -0.384 19876 984 1 2 . 1 1 57 57 SER CB C 57 62.640 62.640 63.239 -0.599 19876 985 1 2 . 1 1 57 57 SER H H 57 7.918 7.918 8.769 -0.851 19876 986 1 2 . 1 1 58 58 PHE N N 58 125.013 125.013 123.871 1.142 19876 987 1 2 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.360 -0.342 19876 988 1 2 . 1 1 58 58 PHE C C 58 177.343 177.343 176.796 0.547 19876 989 1 2 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.442 1.234 19876 990 1 2 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.084 0.100 19876 991 1 2 . 1 1 58 58 PHE H H 58 8.024 8.024 7.958 0.066 19876 992 1 2 . 1 1 59 59 VAL N N 59 120.373 120.373 119.893 0.480 19876 993 1 2 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.038 0.619 19876 994 1 2 . 1 1 59 59 VAL C C 59 175.403 175.403 177.743 -2.340 19876 995 1 2 . 1 1 59 59 VAL CA C 59 66.102 66.102 66.761 -0.659 19876 996 1 2 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.323 0.115 19876 997 1 2 . 1 1 59 59 VAL H H 59 9.263 9.263 8.938 0.325 19876 998 1 2 . 1 1 60 60 MET N N 60 120.360 120.360 118.702 1.658 19876 999 1 2 . 1 1 60 60 MET HA H 60 4.002 4.002 3.917 0.085 19876 1000 1 2 . 1 1 60 60 MET C C 60 177.417 177.417 178.496 -1.079 19876 1001 1 2 . 1 1 60 60 MET CA C 60 59.396 59.396 59.991 -0.595 19876 1002 1 2 . 1 1 60 60 MET CB C 60 31.986 31.986 32.363 -0.377 19876 1003 1 2 . 1 1 60 60 MET H H 60 7.826 7.826 8.520 -0.694 19876 1004 1 2 . 1 1 61 61 SER N N 61 113.289 113.289 114.671 -1.382 19876 1005 1 2 . 1 1 61 61 SER HA H 61 4.035 4.035 4.171 -0.136 19876 1006 1 2 . 1 1 61 61 SER CA C 61 61.619 61.619 61.200 0.419 19876 1007 1 2 . 1 1 61 61 SER CB C 61 62.600 62.600 62.546 0.054 19876 1008 1 2 . 1 1 61 61 SER H H 61 7.230 7.230 7.728 -0.498 19876 1009 1 2 . 1 1 62 62 PHE N N 62 126.395 126.395 123.761 2.634 19876 1010 1 2 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.121 -0.480 19876 1011 1 2 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.537 0.407 19876 1012 1 2 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.748 1.714 19876 1013 1 2 . 1 1 62 62 PHE H H 62 8.681 8.681 8.061 0.620 19876 1014 1 2 . 1 1 63 63 LYS N N 63 116.676 116.676 117.494 -0.818 19876 1015 1 2 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.473 -0.441 19876 1016 1 2 . 1 1 63 63 LYS C C 63 177.262 177.262 178.937 -1.675 19876 1017 1 2 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.404 0.284 19876 1018 1 2 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.034 0.815 19876 1019 1 2 . 1 1 63 63 LYS H H 63 8.585 8.585 8.555 0.030 19876 1020 1 2 . 1 1 64 64 ILE N N 64 117.020 117.020 120.651 -3.631 19876 1021 1 2 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.719 -0.196 19876 1022 1 2 . 1 1 64 64 ILE C C 64 176.151 176.151 178.092 -1.941 19876 1023 1 2 . 1 1 64 64 ILE CA C 64 62.993 62.993 64.329 -1.336 19876 1024 1 2 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.830 0.347 19876 1025 1 2 . 1 1 64 64 ILE H H 64 6.751 6.751 7.984 -1.233 19876 1026 1 2 . 1 1 65 65 LYS N N 65 120.165 120.165 119.015 1.150 19876 1027 1 2 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.084 -0.645 19876 1028 1 2 . 1 1 65 65 LYS C C 65 175.133 175.133 177.195 -2.062 19876 1029 1 2 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.798 0.157 19876 1030 1 2 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.355 -0.398 19876 1031 1 2 . 1 1 65 65 LYS H H 65 7.058 7.058 7.535 -0.477 19876 1032 1 2 . 1 1 66 66 TYR N N 66 115.421 115.421 118.806 -3.385 19876 1033 1 2 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.860 0.028 19876 1034 1 2 . 1 1 66 66 TYR C C 66 173.061 173.061 173.901 -0.840 19876 1035 1 2 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.083 -0.554 19876 1036 1 2 . 1 1 66 66 TYR CB C 66 36.669 36.669 39.214 -2.545 19876 1037 1 2 . 1 1 66 66 TYR H H 66 7.784 7.784 7.460 0.324 19876 1038 1 2 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.296 0.061 19876 1039 1 2 . 1 1 67 67 PRO CA C 67 64.510 64.510 65.191 -0.681 19876 1040 1 2 . 1 1 67 67 PRO CB C 67 31.905 31.905 31.948 -0.043 19876 1041 1 2 . 1 1 68 68 ASP N N 68 117.110 117.110 117.131 -0.021 19876 1042 1 2 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.438 0.289 19876 1043 1 2 . 1 1 68 68 ASP C C 68 175.024 175.024 176.917 -1.893 19876 1044 1 2 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.857 -1.114 19876 1045 1 2 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.570 -0.076 19876 1046 1 2 . 1 1 68 68 ASP H H 68 8.548 8.548 8.461 0.087 19876 1047 1 2 . 1 1 69 69 ASP N N 69 122.994 122.994 118.412 4.582 19876 1048 1 2 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.525 0.466 19876 1049 1 2 . 1 1 69 69 ASP C C 69 174.782 174.782 178.329 -3.547 19876 1050 1 2 . 1 1 69 69 ASP CA C 69 54.315 54.315 54.169 0.146 19876 1051 1 2 . 1 1 69 69 ASP CB C 69 40.163 40.163 39.972 0.191 19876 1052 1 2 . 1 1 69 69 ASP H H 69 7.545 7.545 8.353 -0.808 19876 1053 1 2 . 1 1 70 70 GLY N N 70 107.712 107.712 108.796 -1.084 19876 1054 1 2 . 1 1 70 70 GLY C C 70 173.987 173.987 175.645 -1.658 19876 1055 1 2 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.563 -0.231 19876 1056 1 2 . 1 1 70 70 GLY H H 70 7.879 7.879 7.782 0.097 19876 1057 1 2 . 1 1 71 71 ASP N N 71 119.785 119.785 121.955 -2.170 19876 1058 1 2 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.316 -0.121 19876 1059 1 2 . 1 1 71 71 ASP C C 71 177.114 177.114 178.299 -1.185 19876 1060 1 2 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.384 -0.332 19876 1061 1 2 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.479 -1.134 19876 1062 1 2 . 1 1 71 71 ASP H H 71 8.447 8.447 7.716 0.731 19876 1063 1 2 . 1 1 72 72 LEU N N 72 119.776 119.776 119.964 -0.188 19876 1064 1 2 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.949 -0.082 19876 1065 1 2 . 1 1 72 72 LEU C C 72 176.531 176.531 178.146 -1.615 19876 1066 1 2 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.778 -0.326 19876 1067 1 2 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.677 0.058 19876 1068 1 2 . 1 1 72 72 LEU H H 72 7.562 7.562 7.670 -0.108 19876 1069 1 2 . 1 1 73 73 SER N N 73 113.964 113.964 116.119 -2.155 19876 1070 1 2 . 1 1 73 73 SER HA H 73 3.605 3.605 3.875 -0.270 19876 1071 1 2 . 1 1 73 73 SER C C 73 174.610 174.610 176.726 -2.116 19876 1072 1 2 . 1 1 73 73 SER CA C 73 62.161 62.161 61.545 0.616 19876 1073 1 2 . 1 1 73 73 SER CB C 73 62.158 62.158 62.086 0.072 19876 1074 1 2 . 1 1 73 73 SER H H 73 8.050 8.050 8.193 -0.143 19876 1075 1 2 . 1 1 74 74 GLU N N 74 119.742 119.742 122.571 -2.829 19876 1076 1 2 . 1 1 74 74 GLU HA H 74 4.071 4.071 3.999 0.072 19876 1077 1 2 . 1 1 74 74 GLU C C 74 178.089 178.089 178.702 -0.613 19876 1078 1 2 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.492 -0.390 19876 1079 1 2 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.384 -0.171 19876 1080 1 2 . 1 1 74 74 GLU H H 74 8.623 8.623 8.501 0.122 19876 1081 1 2 . 1 1 75 75 LEU N N 75 122.325 122.325 120.627 1.698 19876 1082 1 2 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.068 0.175 19876 1083 1 2 . 1 1 75 75 LEU C C 75 177.962 177.962 179.045 -1.083 19876 1084 1 2 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.686 -0.306 19876 1085 1 2 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.086 0.318 19876 1086 1 2 . 1 1 75 75 LEU H H 75 7.255 7.255 7.959 -0.704 19876 1087 1 2 . 1 1 76 76 VAL N N 76 119.514 119.514 119.198 0.316 19876 1088 1 2 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.577 0.010 19876 1089 1 2 . 1 1 76 76 VAL C C 76 176.909 176.909 178.461 -1.552 19876 1090 1 2 . 1 1 76 76 VAL CA C 76 67.260 67.260 66.800 0.460 19876 1091 1 2 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.453 0.490 19876 1092 1 2 . 1 1 76 76 VAL H H 76 8.235 8.235 8.413 -0.178 19876 1093 1 2 . 1 1 77 77 GLU N N 77 118.692 118.692 120.085 -1.393 19876 1094 1 2 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.891 -0.152 19876 1095 1 2 . 1 1 77 77 GLU C C 77 177.692 177.692 179.246 -1.554 19876 1096 1 2 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.107 0.900 19876 1097 1 2 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.078 0.079 19876 1098 1 2 . 1 1 77 77 GLU H H 77 8.204 8.204 8.854 -0.650 19876 1099 1 2 . 1 1 78 78 GLU N N 78 121.945 121.945 120.215 1.730 19876 1100 1 2 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.014 0.014 19876 1101 1 2 . 1 1 78 78 GLU C C 78 176.559 176.559 178.960 -2.401 19876 1102 1 2 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.828 -0.254 19876 1103 1 2 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.682 0.203 19876 1104 1 2 . 1 1 78 78 GLU H H 78 8.058 8.058 8.766 -0.708 19876 1105 1 2 . 1 1 79 79 TYR N N 79 119.945 119.945 120.767 -0.822 19876 1106 1 2 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.111 0.289 19876 1107 1 2 . 1 1 79 79 TYR C C 79 178.365 178.365 178.138 0.227 19876 1108 1 2 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.724 -0.623 19876 1109 1 2 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.206 0.431 19876 1110 1 2 . 1 1 79 79 TYR H H 79 8.347 8.347 8.455 -0.108 19876 1111 1 2 . 1 1 80 80 LEU N N 80 123.586 123.586 118.637 4.949 19876 1112 1 2 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.853 -0.204 19876 1113 1 2 . 1 1 80 80 LEU C C 80 177.594 177.594 179.269 -1.675 19876 1114 1 2 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.333 0.346 19876 1115 1 2 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.084 -0.442 19876 1116 1 2 . 1 1 80 80 LEU H H 80 9.113 9.113 8.848 0.265 19876 1117 1 2 . 1 1 81 81 ASP N N 81 121.522 121.522 119.389 2.133 19876 1118 1 2 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.331 0.075 19876 1119 1 2 . 1 1 81 81 ASP C C 81 178.021 178.021 178.375 -0.354 19876 1120 1 2 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.002 -0.313 19876 1121 1 2 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.731 -0.089 19876 1122 1 2 . 1 1 81 81 ASP H H 81 8.228 8.228 8.746 -0.518 19876 1123 1 2 . 1 1 82 82 ASP N N 82 120.931 120.931 120.152 0.779 19876 1124 1 2 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.411 0.011 19876 1125 1 2 . 1 1 82 82 ASP C C 82 178.342 178.342 179.025 -0.683 19876 1126 1 2 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.759 0.148 19876 1127 1 2 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.589 0.244 19876 1128 1 2 . 1 1 82 82 ASP H H 82 9.139 9.139 8.789 0.350 19876 1129 1 2 . 1 1 83 83 THR N N 83 118.686 118.686 117.862 0.824 19876 1130 1 2 . 1 1 83 83 THR HA H 83 3.415 3.415 3.504 -0.089 19876 1131 1 2 . 1 1 83 83 THR C C 83 173.663 173.663 176.400 -2.737 19876 1132 1 2 . 1 1 83 83 THR CA C 83 67.258 67.258 66.863 0.395 19876 1133 1 2 . 1 1 83 83 THR CB C 83 68.017 68.017 69.087 -1.070 19876 1134 1 2 . 1 1 83 83 THR H H 83 8.394 8.394 8.711 -0.317 19876 1135 1 2 . 1 1 84 84 TYR N N 84 122.004 122.004 122.872 -0.868 19876 1136 1 2 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.092 -0.349 19876 1137 1 2 . 1 1 84 84 TYR C C 84 177.983 177.983 177.741 0.242 19876 1138 1 2 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.253 -0.146 19876 1139 1 2 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.530 -0.079 19876 1140 1 2 . 1 1 84 84 TYR H H 84 8.561 8.561 8.735 -0.174 19876 1141 1 2 . 1 1 85 85 THR N N 85 116.249 116.249 115.699 0.550 19876 1142 1 2 . 1 1 85 85 THR HA H 85 3.409 3.409 3.938 -0.529 19876 1143 1 2 . 1 1 85 85 THR C C 85 174.628 174.628 176.595 -1.967 19876 1144 1 2 . 1 1 85 85 THR CA C 85 66.483 66.483 66.583 -0.100 19876 1145 1 2 . 1 1 85 85 THR CB C 85 68.604 68.604 68.639 -0.035 19876 1146 1 2 . 1 1 85 85 THR H H 85 8.749 8.749 8.821 -0.072 19876 1147 1 2 . 1 1 86 86 LEU N N 86 121.835 121.835 122.208 -0.373 19876 1148 1 2 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.868 -0.313 19876 1149 1 2 . 1 1 86 86 LEU C C 86 176.057 176.057 178.994 -2.937 19876 1150 1 2 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.110 0.896 19876 1151 1 2 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.375 1.398 19876 1152 1 2 . 1 1 86 86 LEU H H 86 7.257 7.257 8.211 -0.954 19876 1153 1 2 . 1 1 87 87 PHE N N 87 111.264 111.264 117.623 -6.359 19876 1154 1 2 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.095 -0.118 19876 1155 1 2 . 1 1 87 87 PHE C C 87 174.687 174.687 178.193 -3.506 19876 1156 1 2 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.424 0.316 19876 1157 1 2 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.435 0.996 19876 1158 1 2 . 1 1 87 87 PHE H H 87 7.168 7.168 8.149 -0.981 19876 1159 1 2 . 1 1 88 88 SER N N 88 112.848 112.848 113.550 -0.702 19876 1160 1 2 . 1 1 88 88 SER HA H 88 4.207 4.207 4.076 0.131 19876 1161 1 2 . 1 1 88 88 SER C C 88 172.760 172.760 174.477 -1.717 19876 1162 1 2 . 1 1 88 88 SER CA C 88 58.725 58.725 60.008 -1.283 19876 1163 1 2 . 1 1 88 88 SER CB C 88 63.342 63.342 63.164 0.178 19876 1164 1 2 . 1 1 88 88 SER H H 88 7.290 7.290 8.050 -0.760 19876 1165 1 2 . 1 1 89 89 SER N N 89 116.554 116.554 117.178 -0.624 19876 1166 1 2 . 1 1 89 89 SER HA H 89 4.347 4.347 4.369 -0.022 19876 1167 1 2 . 1 1 89 89 SER C C 89 172.251 172.251 174.161 -1.910 19876 1168 1 2 . 1 1 89 89 SER CA C 89 57.597 57.597 57.903 -0.306 19876 1169 1 2 . 1 1 89 89 SER CB C 89 64.426 64.426 64.198 0.228 19876 1170 1 2 . 1 1 89 89 SER H H 89 7.064 7.064 7.700 -0.636 19876 1171 1 2 . 1 1 90 90 TYR N N 90 122.348 122.348 122.958 -0.610 19876 1172 1 2 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.506 -0.163 19876 1173 1 2 . 1 1 90 90 TYR C C 90 175.043 175.043 177.324 -2.281 19876 1174 1 2 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.112 -2.140 19876 1175 1 2 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.827 -1.200 19876 1176 1 2 . 1 1 90 90 TYR H H 90 8.446 8.446 8.320 0.126 19876 1177 1 2 . 1 1 91 91 GLY N N 91 111.349 111.349 104.287 7.062 19876 1178 1 2 . 1 1 91 91 GLY C C 91 170.874 170.874 173.674 -2.800 19876 1179 1 2 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.736 0.998 19876 1180 1 2 . 1 1 91 91 GLY H H 91 7.820 7.820 8.110 -0.290 19876 1181 1 2 . 1 1 92 92 ILE N N 92 121.703 121.703 122.338 -0.635 19876 1182 1 2 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.856 0.022 19876 1183 1 2 . 1 1 92 92 ILE C C 92 173.956 173.956 175.850 -1.894 19876 1184 1 2 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.604 -0.477 19876 1185 1 2 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.774 0.668 19876 1186 1 2 . 1 1 92 92 ILE H H 92 8.032 8.032 8.325 -0.293 19876 1187 1 2 . 1 1 93 93 ASN N N 93 125.791 125.791 126.604 -0.813 19876 1188 1 2 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.802 0.112 19876 1189 1 2 . 1 1 93 93 ASN C C 93 173.468 173.468 175.660 -2.192 19876 1190 1 2 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.567 -1.125 19876 1191 1 2 . 1 1 93 93 ASN CB C 93 40.147 40.147 39.420 0.727 19876 1192 1 2 . 1 1 93 93 ASN H H 93 8.423 8.423 8.311 0.112 19876 1193 1 2 . 1 1 94 94 ASP N N 94 122.019 122.019 127.710 -5.691 19876 1194 1 2 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.379 0.112 19876 1195 1 2 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.352 -0.234 19876 1196 1 2 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.826 0.462 19876 1197 1 2 . 1 1 94 94 ASP H H 94 8.710 8.710 8.898 -0.188 19876 1198 1 2 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.228 -0.074 19876 1199 1 2 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.158 0.396 19876 1200 1 2 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.392 -0.643 19876 1201 1 2 . 1 1 96 96 GLU N N 96 117.965 117.965 118.020 -0.055 19876 1202 1 2 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.137 -0.276 19876 1203 1 2 . 1 1 96 96 GLU C C 96 177.730 177.730 179.133 -1.403 19876 1204 1 2 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.468 0.414 19876 1205 1 2 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.820 0.018 19876 1206 1 2 . 1 1 96 96 GLU H H 96 7.954 7.954 8.432 -0.478 19876 1207 1 2 . 1 1 97 97 LEU N N 97 124.427 124.427 121.054 3.373 19876 1208 1 2 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.936 0.173 19876 1209 1 2 . 1 1 97 97 LEU C C 97 177.211 177.211 178.851 -1.640 19876 1210 1 2 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.129 -0.078 19876 1211 1 2 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.735 0.036 19876 1212 1 2 . 1 1 97 97 LEU H H 97 7.825 7.825 8.574 -0.749 19876 1213 1 2 . 1 1 98 98 GLN N N 98 117.195 117.195 118.007 -0.812 19876 1214 1 2 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.006 -0.016 19876 1215 1 2 . 1 1 98 98 GLN C C 98 177.762 177.762 178.882 -1.120 19876 1216 1 2 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.564 0.059 19876 1217 1 2 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.612 0.389 19876 1218 1 2 . 1 1 98 98 GLN H H 98 8.481 8.481 8.890 -0.409 19876 1219 1 2 . 1 1 99 99 ARG N N 99 119.687 119.687 120.429 -0.742 19876 1220 1 2 . 1 1 99 99 ARG HA H 99 3.922 3.922 3.995 -0.073 19876 1221 1 2 . 1 1 99 99 ARG C C 99 176.055 176.055 178.336 -2.281 19876 1222 1 2 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.822 -0.209 19876 1223 1 2 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.968 0.354 19876 1224 1 2 . 1 1 99 99 ARG H H 99 7.836 7.836 8.128 -0.292 19876 1225 1 2 . 1 1 100 100 TRP N N 100 119.762 119.762 122.158 -2.396 19876 1226 1 2 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.526 -0.297 19876 1227 1 2 . 1 1 100 100 TRP C C 100 176.004 176.004 178.851 -2.847 19876 1228 1 2 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.611 0.394 19876 1229 1 2 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.071 -0.123 19876 1230 1 2 . 1 1 100 100 TRP H H 100 7.731 7.731 8.275 -0.544 19876 1231 1 2 . 1 1 101 101 GLN N N 101 115.464 115.464 117.021 -1.557 19876 1232 1 2 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.861 -0.376 19876 1233 1 2 . 1 1 101 101 GLN C C 101 177.498 177.498 178.814 -1.316 19876 1234 1 2 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.724 -0.560 19876 1235 1 2 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.078 0.004 19876 1236 1 2 . 1 1 101 101 GLN H H 101 8.277 8.277 8.745 -0.468 19876 1237 1 2 . 1 1 102 102 LYS N N 102 119.856 119.856 119.941 -0.085 19876 1238 1 2 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.917 -0.005 19876 1239 1 2 . 1 1 102 102 LYS C C 102 178.364 178.364 179.066 -0.702 19876 1240 1 2 . 1 1 102 102 LYS CA C 102 59.179 59.179 60.486 -1.307 19876 1241 1 2 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.213 -0.388 19876 1242 1 2 . 1 1 102 102 LYS H H 102 8.047 8.047 8.666 -0.619 19876 1243 1 2 . 1 1 103 103 THR N N 103 121.217 121.217 116.570 4.647 19876 1244 1 2 . 1 1 103 103 THR HA H 103 3.658 3.658 3.909 -0.251 19876 1245 1 2 . 1 1 103 103 THR C C 103 174.266 174.266 176.306 -2.040 19876 1246 1 2 . 1 1 103 103 THR CA C 103 66.206 66.206 66.802 -0.596 19876 1247 1 2 . 1 1 103 103 THR CB C 103 67.515 67.515 68.403 -0.888 19876 1248 1 2 . 1 1 103 103 THR H H 103 8.816 8.816 8.676 0.140 19876 1249 1 2 . 1 1 104 104 LYS N N 104 122.265 122.265 120.743 1.522 19876 1250 1 2 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.220 -0.169 19876 1251 1 2 . 1 1 104 104 LYS C C 104 176.952 176.952 178.999 -2.047 19876 1252 1 2 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.129 1.391 19876 1253 1 2 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.211 -0.871 19876 1254 1 2 . 1 1 104 104 LYS H H 104 8.258 8.258 8.306 -0.048 19876 1255 1 2 . 1 1 105 105 GLU N N 105 118.912 118.912 119.686 -0.774 19876 1256 1 2 . 1 1 105 105 GLU HA H 105 3.598 3.598 4.019 -0.421 19876 1257 1 2 . 1 1 105 105 GLU C C 105 178.038 178.038 179.279 -1.241 19876 1258 1 2 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.346 0.172 19876 1259 1 2 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.262 -0.230 19876 1260 1 2 . 1 1 105 105 GLU H H 105 7.963 7.963 7.969 -0.006 19876 1261 1 2 . 1 1 106 106 ARG N N 106 120.201 120.201 119.308 0.893 19876 1262 1 2 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.948 -0.252 19876 1263 1 2 . 1 1 106 106 ARG C C 106 177.744 177.744 178.909 -1.165 19876 1264 1 2 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.142 0.853 19876 1265 1 2 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.971 0.817 19876 1266 1 2 . 1 1 106 106 ARG H H 106 7.940 7.940 8.515 -0.575 19876 1267 1 2 . 1 1 107 107 LEU N N 107 120.982 120.982 120.248 0.734 19876 1268 1 2 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.733 0.012 19876 1269 1 2 . 1 1 107 107 LEU C C 107 176.173 176.173 178.979 -2.806 19876 1270 1 2 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.621 -1.184 19876 1271 1 2 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.700 -0.831 19876 1272 1 2 . 1 1 107 107 LEU H H 107 8.242 8.242 8.410 -0.168 19876 1273 1 2 . 1 1 108 108 PHE N N 108 117.793 117.793 117.930 -0.137 19876 1274 1 2 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.464 -0.462 19876 1275 1 2 . 1 1 108 108 PHE C C 108 177.654 177.654 177.883 -0.229 19876 1276 1 2 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.455 -0.266 19876 1277 1 2 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.480 -1.695 19876 1278 1 2 . 1 1 108 108 PHE H H 108 8.772 8.772 8.142 0.630 19876 1279 1 2 . 1 1 109 109 ARG N N 109 121.726 121.726 119.568 2.158 19876 1280 1 2 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.027 -0.021 19876 1281 1 2 . 1 1 109 109 ARG C C 109 177.785 177.785 178.640 -0.855 19876 1282 1 2 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.514 0.828 19876 1283 1 2 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.518 0.280 19876 1284 1 2 . 1 1 109 109 ARG H H 109 7.865 7.865 8.239 -0.374 19876 1285 1 2 . 1 1 110 110 LEU N N 110 121.486 121.486 119.055 2.431 19876 1286 1 2 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.984 0.110 19876 1287 1 2 . 1 1 110 110 LEU C C 110 178.537 178.537 179.286 -0.749 19876 1288 1 2 . 1 1 110 110 LEU CA C 110 57.841 57.841 56.548 1.293 19876 1289 1 2 . 1 1 110 110 LEU CB C 110 40.821 40.821 40.675 0.146 19876 1290 1 2 . 1 1 110 110 LEU H H 110 7.338 7.338 7.822 -0.484 19876 1291 1 2 . 1 1 111 111 PHE N N 111 115.883 115.883 117.628 -1.745 19876 1292 1 2 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.105 0.211 19876 1293 1 2 . 1 1 111 111 PHE C C 111 175.369 175.369 177.543 -2.174 19876 1294 1 2 . 1 1 111 111 PHE CA C 111 59.079 59.079 59.580 -0.500 19876 1295 1 2 . 1 1 111 111 PHE CB C 111 38.511 38.511 37.513 0.998 19876 1296 1 2 . 1 1 111 111 PHE H H 111 7.584 7.584 8.232 -0.648 19876 1297 1 2 . 1 1 112 112 SER N N 112 111.693 111.693 113.754 -2.061 19876 1298 1 2 . 1 1 112 112 SER HA H 112 4.329 4.329 4.422 -0.093 19876 1299 1 2 . 1 1 112 112 SER C C 112 173.353 173.353 175.276 -1.923 19876 1300 1 2 . 1 1 112 112 SER CA C 112 59.050 59.050 59.776 -0.726 19876 1301 1 2 . 1 1 112 112 SER CB C 112 63.841 63.841 64.117 -0.276 19876 1302 1 2 . 1 1 112 112 SER H H 112 7.554 7.554 8.022 -0.468 19876 1303 1 2 . 1 1 113 113 GLY N N 113 109.665 109.665 108.109 1.556 19876 1304 1 2 . 1 1 113 113 GLY C C 113 173.407 173.407 174.125 -0.718 19876 1305 1 2 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.105 0.269 19876 1306 1 2 . 1 1 113 113 GLY H H 113 7.781 7.781 7.716 0.065 19876 1307 1 2 . 1 1 114 114 GLU N N 114 121.028 121.028 120.903 0.125 19876 1308 1 2 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.112 -0.110 19876 1309 1 2 . 1 1 114 114 GLU C C 114 175.971 175.971 177.241 -1.270 19876 1310 1 2 . 1 1 114 114 GLU CA C 114 58.310 58.310 57.057 1.252 19876 1311 1 2 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.662 0.502 19876 1312 1 2 . 1 1 114 114 GLU H H 114 8.414 8.414 7.794 0.620 19876 1313 1 2 . 1 1 115 115 TYR N N 115 118.828 118.828 116.039 2.789 19876 1314 1 2 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.659 -0.347 19876 1315 1 2 . 1 1 115 115 TYR C C 115 175.248 175.248 178.145 -2.897 19876 1316 1 2 . 1 1 115 115 TYR CA C 115 59.734 59.734 58.943 0.791 19876 1317 1 2 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.277 0.094 19876 1318 1 2 . 1 1 115 115 TYR H H 115 7.939 7.939 7.452 0.487 19876 1319 1 2 . 1 1 116 116 ILE N N 116 120.412 120.412 121.705 -1.293 19876 1320 1 2 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.606 0.137 19876 1321 1 2 . 1 1 116 116 ILE C C 116 175.591 175.591 177.898 -2.307 19876 1322 1 2 . 1 1 116 116 ILE CA C 116 62.136 62.136 65.378 -3.242 19876 1323 1 2 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.697 0.530 19876 1324 1 2 . 1 1 116 116 ILE H H 116 7.892 7.892 8.005 -0.113 19876 1325 1 2 . 1 1 117 117 SER N N 117 117.142 117.142 113.595 3.547 19876 1326 1 2 . 1 1 117 117 SER HA H 117 4.141 4.141 4.134 0.007 19876 1327 1 2 . 1 1 117 117 SER C C 117 174.795 174.795 176.619 -1.824 19876 1328 1 2 . 1 1 117 117 SER CA C 117 60.437 60.437 61.789 -1.352 19876 1329 1 2 . 1 1 117 117 SER CB C 117 62.987 62.987 62.275 0.712 19876 1330 1 2 . 1 1 117 117 SER H H 117 8.127 8.127 8.764 -0.637 19876 1331 1 2 . 1 1 118 118 THR N N 118 115.779 115.779 118.099 -2.320 19876 1332 1 2 . 1 1 118 118 THR HA H 118 3.987 3.987 4.342 -0.355 19876 1333 1 2 . 1 1 118 118 THR C C 118 174.025 174.025 176.641 -2.616 19876 1334 1 2 . 1 1 118 118 THR CA C 118 64.026 64.026 64.218 -0.192 19876 1335 1 2 . 1 1 118 118 THR CB C 118 68.953 68.953 69.096 -0.143 19876 1336 1 2 . 1 1 118 118 THR H H 118 7.872 7.872 7.670 0.202 19876 1337 1 2 . 1 1 119 119 LEU N N 119 122.845 122.845 124.332 -1.487 19876 1338 1 2 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.682 0.366 19876 1339 1 2 . 1 1 119 119 LEU C C 119 176.246 176.246 177.311 -1.065 19876 1340 1 2 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.896 -1.815 19876 1341 1 2 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.034 0.171 19876 1342 1 2 . 1 1 119 119 LEU H H 119 7.679 7.679 8.538 -0.859 19876 1343 1 2 . 1 1 120 120 MET N N 120 117.447 117.447 110.641 6.806 19876 1344 1 2 . 1 1 120 120 MET HA H 120 4.243 4.243 4.485 -0.242 19876 1345 1 2 . 1 1 120 120 MET C C 120 174.594 174.594 176.287 -1.693 19876 1346 1 2 . 1 1 120 120 MET CA C 120 55.470 55.470 55.825 -0.354 19876 1347 1 2 . 1 1 120 120 MET CB C 120 32.606 32.606 32.156 0.451 19876 1348 1 2 . 1 1 120 120 MET H H 120 7.812 7.812 8.007 -0.195 19876 1349 1 2 . 1 1 121 121 LYS N N 121 121.578 121.578 119.366 2.212 19876 1350 1 2 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.405 -0.170 19876 1351 1 2 . 1 1 121 121 LYS C C 121 174.539 174.539 176.101 -1.562 19876 1352 1 2 . 1 1 121 121 LYS CA C 121 56.481 56.481 55.602 0.879 19876 1353 1 2 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.876 -0.910 19876 1354 1 2 . 1 1 121 121 LYS H H 121 7.790 7.790 7.697 0.093 19876 1355 1 3 . 1 1 2 2 ASP N N 2 122.949 122.949 122.471 0.478 19876 1356 1 3 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.977 -0.533 19876 1357 1 3 . 1 1 2 2 ASP C C 2 174.891 174.891 176.118 -1.227 19876 1358 1 3 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.156 -0.533 19876 1359 1 3 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.631 -0.312 19876 1360 1 3 . 1 1 2 2 ASP H H 2 8.386 8.386 8.479 -0.093 19876 1361 1 3 . 1 1 3 3 GLU N N 3 119.296 119.296 120.460 -1.164 19876 1362 1 3 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.161 -0.297 19876 1363 1 3 . 1 1 3 3 GLU C C 3 175.006 175.006 176.952 -1.946 19876 1364 1 3 . 1 1 3 3 GLU CA C 3 58.073 58.073 57.734 0.339 19876 1365 1 3 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.706 -0.139 19876 1366 1 3 . 1 1 3 3 GLU H H 3 8.601 8.601 8.514 0.087 19876 1367 1 3 . 1 1 4 4 TYR N N 4 118.038 118.038 120.032 -1.994 19876 1368 1 3 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.846 -0.393 19876 1369 1 3 . 1 1 4 4 TYR C C 4 174.761 174.761 174.993 -0.232 19876 1370 1 3 . 1 1 4 4 TYR CA C 4 57.574 57.574 58.505 -0.931 19876 1371 1 3 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.740 -0.745 19876 1372 1 3 . 1 1 4 4 TYR H H 4 8.049 8.049 8.114 -0.065 19876 1373 1 3 . 1 1 5 5 SER N N 5 118.519 118.519 117.232 1.287 19876 1374 1 3 . 1 1 5 5 SER HA H 5 4.444 4.444 4.870 -0.426 19876 1375 1 3 . 1 1 5 5 SER C C 5 171.907 171.907 171.929 -0.022 19876 1376 1 3 . 1 1 5 5 SER CA C 5 57.173 57.173 56.096 1.077 19876 1377 1 3 . 1 1 5 5 SER CB C 5 62.104 62.104 62.760 -0.656 19876 1378 1 3 . 1 1 5 5 SER H H 5 7.759 7.759 8.134 -0.375 19876 1379 1 3 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.789 -0.345 19876 1380 1 3 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.795 0.802 19876 1381 1 3 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.153 -0.104 19876 1382 1 3 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.001 -0.213 19876 1383 1 3 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.152 -0.652 19876 1384 1 3 . 1 1 8 8 ARG CB C 8 29.581 29.581 28.976 0.605 19876 1385 1 3 . 1 1 9 9 HIS N N 9 118.064 118.064 119.121 -1.057 19876 1386 1 3 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.385 -0.103 19876 1387 1 3 . 1 1 9 9 HIS C C 9 176.264 176.264 178.039 -1.775 19876 1388 1 3 . 1 1 9 9 HIS CA C 9 59.043 59.043 60.044 -1.001 19876 1389 1 3 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.565 0.824 19876 1390 1 3 . 1 1 9 9 HIS H H 9 7.291 7.291 8.448 -1.157 19876 1391 1 3 . 1 1 10 10 ASP N N 10 122.089 122.089 120.230 1.859 19876 1392 1 3 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.876 -0.293 19876 1393 1 3 . 1 1 10 10 ASP C C 10 177.261 177.261 179.213 -1.952 19876 1394 1 3 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.071 -0.199 19876 1395 1 3 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.820 -0.251 19876 1396 1 3 . 1 1 10 10 ASP H H 10 8.221 8.221 8.373 -0.152 19876 1397 1 3 . 1 1 11 11 VAL N N 11 119.318 119.318 120.249 -0.931 19876 1398 1 3 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.844 -0.357 19876 1399 1 3 . 1 1 11 11 VAL C C 11 175.661 175.661 177.904 -2.243 19876 1400 1 3 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.894 -0.015 19876 1401 1 3 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.408 0.018 19876 1402 1 3 . 1 1 11 11 VAL H H 11 8.850 8.850 8.123 0.727 19876 1403 1 3 . 1 1 12 12 ALA N N 12 121.749 121.749 122.328 -0.579 19876 1404 1 3 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.814 -0.045 19876 1405 1 3 . 1 1 12 12 ALA C C 12 179.484 179.484 179.542 -0.058 19876 1406 1 3 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.647 -0.379 19876 1407 1 3 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.044 -0.302 19876 1408 1 3 . 1 1 12 12 ALA H H 12 7.676 7.676 8.789 -1.113 19876 1409 1 3 . 1 1 13 13 GLN N N 13 119.544 119.544 118.947 0.597 19876 1410 1 3 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.046 -0.039 19876 1411 1 3 . 1 1 13 13 GLN C C 13 176.075 176.075 178.246 -2.171 19876 1412 1 3 . 1 1 13 13 GLN CA C 13 58.232 58.232 58.825 -0.593 19876 1413 1 3 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.472 -0.722 19876 1414 1 3 . 1 1 13 13 GLN H H 13 8.151 8.151 8.726 -0.575 19876 1415 1 3 . 1 1 14 14 LEU N N 14 121.127 121.127 120.390 0.737 19876 1416 1 3 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.020 -0.464 19876 1417 1 3 . 1 1 14 14 LEU C C 14 176.935 176.935 178.901 -1.966 19876 1418 1 3 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.786 -0.062 19876 1419 1 3 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.120 0.567 19876 1420 1 3 . 1 1 14 14 LEU H H 14 7.889 7.889 8.660 -0.771 19876 1421 1 3 . 1 1 15 15 LYS N N 15 120.458 120.458 119.241 1.217 19876 1422 1 3 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.283 -0.621 19876 1423 1 3 . 1 1 15 15 LYS C C 15 176.022 176.022 178.713 -2.691 19876 1424 1 3 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.783 0.255 19876 1425 1 3 . 1 1 15 15 LYS CB C 15 32.211 32.211 32.094 0.117 19876 1426 1 3 . 1 1 15 15 LYS H H 15 8.174 8.174 8.416 -0.242 19876 1427 1 3 . 1 1 16 16 PHE N N 16 119.257 119.257 119.741 -0.484 19876 1428 1 3 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.225 -0.038 19876 1429 1 3 . 1 1 16 16 PHE C C 16 177.917 177.917 177.383 0.534 19876 1430 1 3 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.352 -0.022 19876 1431 1 3 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.065 0.429 19876 1432 1 3 . 1 1 16 16 PHE H H 16 7.855 7.855 8.456 -0.601 19876 1433 1 3 . 1 1 17 17 LEU N N 17 121.489 121.489 118.918 2.571 19876 1434 1 3 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.991 -0.393 19876 1435 1 3 . 1 1 17 17 LEU C C 17 177.988 177.988 178.818 -0.830 19876 1436 1 3 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.346 -0.384 19876 1437 1 3 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.090 1.608 19876 1438 1 3 . 1 1 17 17 LEU H H 17 8.560 8.560 7.494 1.066 19876 1439 1 3 . 1 1 18 18 CYS N N 18 116.216 116.216 120.036 -3.820 19876 1440 1 3 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.172 0.063 19876 1441 1 3 . 1 1 18 18 CYS C C 18 176.987 176.987 177.604 -0.617 19876 1442 1 3 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.348 2.226 19876 1443 1 3 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.331 0.973 19876 1444 1 3 . 1 1 18 18 CYS H H 18 8.194 8.194 7.956 0.238 19876 1445 1 3 . 1 1 19 19 GLU N N 19 123.947 123.947 120.668 3.279 19876 1446 1 3 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.179 -0.294 19876 1447 1 3 . 1 1 19 19 GLU C C 19 176.436 176.436 179.516 -3.080 19876 1448 1 3 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.875 0.011 19876 1449 1 3 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.370 -0.090 19876 1450 1 3 . 1 1 19 19 GLU H H 19 8.842 8.842 9.135 -0.293 19876 1451 1 3 . 1 1 20 20 SER N N 20 116.500 116.500 115.988 0.512 19876 1452 1 3 . 1 1 20 20 SER HA H 20 4.056 4.056 4.334 -0.278 19876 1453 1 3 . 1 1 20 20 SER C C 20 174.835 174.835 176.851 -2.016 19876 1454 1 3 . 1 1 20 20 SER CA C 20 61.729 61.729 61.603 0.126 19876 1455 1 3 . 1 1 20 20 SER CB C 20 62.360 62.360 63.061 -0.701 19876 1456 1 3 . 1 1 20 20 SER H H 20 8.198 8.198 8.723 -0.525 19876 1457 1 3 . 1 1 21 21 LEU N N 21 121.186 121.186 124.114 -2.928 19876 1458 1 3 . 1 1 21 21 LEU HA H 21 3.911 3.911 3.969 -0.058 19876 1459 1 3 . 1 1 21 21 LEU C C 21 175.905 175.905 178.530 -2.625 19876 1460 1 3 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.587 -0.634 19876 1461 1 3 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.964 -0.355 19876 1462 1 3 . 1 1 21 21 LEU H H 21 7.970 7.970 8.504 -0.534 19876 1463 1 3 . 1 1 22 22 TYR N N 22 119.690 119.690 119.291 0.399 19876 1464 1 3 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.326 -0.008 19876 1465 1 3 . 1 1 22 22 TYR C C 22 175.453 175.453 178.467 -3.014 19876 1466 1 3 . 1 1 22 22 TYR CA C 22 62.240 62.240 62.170 0.070 19876 1467 1 3 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.429 -1.286 19876 1468 1 3 . 1 1 22 22 TYR H H 22 7.473 7.473 9.015 -1.542 19876 1469 1 3 . 1 1 23 23 ASP N N 23 118.291 118.291 118.325 -0.034 19876 1470 1 3 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.612 -0.565 19876 1471 1 3 . 1 1 23 23 ASP C C 23 178.796 178.796 178.551 0.245 19876 1472 1 3 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.632 -0.348 19876 1473 1 3 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.206 -1.323 19876 1474 1 3 . 1 1 23 23 ASP H H 23 8.249 8.249 8.339 -0.090 19876 1475 1 3 . 1 1 24 24 GLU N N 24 120.605 120.605 119.686 0.919 19876 1476 1 3 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.975 -0.044 19876 1477 1 3 . 1 1 24 24 GLU C C 24 178.457 178.457 179.028 -0.571 19876 1478 1 3 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.343 -0.782 19876 1479 1 3 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.084 -0.162 19876 1480 1 3 . 1 1 24 24 GLU H H 24 8.347 8.347 8.623 -0.276 19876 1481 1 3 . 1 1 25 25 GLY N N 25 111.777 111.777 108.629 3.148 19876 1482 1 3 . 1 1 25 25 GLY C C 25 173.906 173.906 176.350 -2.444 19876 1483 1 3 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.295 0.173 19876 1484 1 3 . 1 1 25 25 GLY H H 25 8.701 8.701 8.983 -0.282 19876 1485 1 3 . 1 1 26 26 ILE N N 26 122.263 122.263 123.577 -1.314 19876 1486 1 3 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.854 -0.097 19876 1487 1 3 . 1 1 26 26 ILE C C 26 178.116 178.116 178.209 -0.093 19876 1488 1 3 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.163 -0.932 19876 1489 1 3 . 1 1 26 26 ILE CB C 26 35.688 35.688 37.022 -1.334 19876 1490 1 3 . 1 1 26 26 ILE H H 26 8.717 8.717 7.630 1.087 19876 1491 1 3 . 1 1 27 27 ALA N N 27 122.092 122.092 122.634 -0.542 19876 1492 1 3 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.006 -0.046 19876 1493 1 3 . 1 1 27 27 ALA C C 27 178.428 178.428 179.884 -1.456 19876 1494 1 3 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.791 -1.298 19876 1495 1 3 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.273 -0.223 19876 1496 1 3 . 1 1 27 27 ALA H H 27 7.672 7.672 8.988 -1.316 19876 1497 1 3 . 1 1 28 28 THR N N 28 115.031 115.031 116.430 -1.399 19876 1498 1 3 . 1 1 28 28 THR HA H 28 3.734 3.734 4.190 -0.456 19876 1499 1 3 . 1 1 28 28 THR C C 28 174.403 174.403 176.894 -2.491 19876 1500 1 3 . 1 1 28 28 THR CA C 28 65.750 65.750 67.125 -1.375 19876 1501 1 3 . 1 1 28 28 THR CB C 28 68.530 68.530 68.608 -0.078 19876 1502 1 3 . 1 1 28 28 THR H H 28 7.554 7.554 8.313 -0.759 19876 1503 1 3 . 1 1 29 29 LEU N N 29 121.356 121.356 120.482 0.874 19876 1504 1 3 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.205 -0.395 19876 1505 1 3 . 1 1 29 29 LEU C C 29 176.694 176.694 179.336 -2.642 19876 1506 1 3 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.480 -0.986 19876 1507 1 3 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.520 0.659 19876 1508 1 3 . 1 1 29 29 LEU H H 29 7.580 7.580 8.782 -1.202 19876 1509 1 3 . 1 1 30 30 GLY CA C 30 44.903 44.903 46.064 -1.161 19876 1510 1 3 . 1 1 31 31 ASP N N 31 119.983 119.983 121.546 -1.563 19876 1511 1 3 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.521 0.042 19876 1512 1 3 . 1 1 31 31 ASP C C 31 175.609 175.609 176.089 -0.480 19876 1513 1 3 . 1 1 31 31 ASP CA C 31 53.883 53.883 55.149 -1.266 19876 1514 1 3 . 1 1 31 31 ASP CB C 31 41.558 41.558 42.038 -0.480 19876 1515 1 3 . 1 1 31 31 ASP H H 31 8.017 8.017 7.844 0.173 19876 1516 1 3 . 1 1 32 32 SER N N 32 118.027 118.027 112.482 5.545 19876 1517 1 3 . 1 1 32 32 SER HA H 32 4.191 4.191 4.304 -0.113 19876 1518 1 3 . 1 1 32 32 SER C C 32 178.747 178.747 174.965 3.782 19876 1519 1 3 . 1 1 32 32 SER CA C 32 59.247 59.247 58.960 0.287 19876 1520 1 3 . 1 1 32 32 SER CB C 32 63.224 63.224 61.452 1.772 19876 1521 1 3 . 1 1 32 32 SER H H 32 8.284 8.284 7.743 0.541 19876 1522 1 3 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.465 -0.120 19876 1523 1 3 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.617 -2.588 19876 1524 1 3 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.705 -0.146 19876 1525 1 3 . 1 1 34 34 HIS N N 34 117.885 117.885 115.462 2.423 19876 1526 1 3 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.453 0.031 19876 1527 1 3 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.431 -0.484 19876 1528 1 3 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.738 -0.970 19876 1529 1 3 . 1 1 34 34 HIS H H 34 7.896 7.896 8.036 -0.140 19876 1530 1 3 . 1 1 35 35 GLY N N 35 108.681 108.681 105.912 2.769 19876 1531 1 3 . 1 1 35 35 GLY C C 35 172.466 172.466 174.025 -1.559 19876 1532 1 3 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.725 -0.426 19876 1533 1 3 . 1 1 35 35 GLY H H 35 7.864 7.864 8.722 -0.858 19876 1534 1 3 . 1 1 36 36 TRP N N 36 120.973 120.973 119.997 0.976 19876 1535 1 3 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.720 -0.226 19876 1536 1 3 . 1 1 36 36 TRP C C 36 174.594 174.594 175.710 -1.116 19876 1537 1 3 . 1 1 36 36 TRP CA C 36 57.866 57.866 58.968 -1.102 19876 1538 1 3 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.797 -1.210 19876 1539 1 3 . 1 1 36 36 TRP H H 36 7.809 7.809 8.093 -0.284 19876 1540 1 3 . 1 1 37 37 VAL N N 37 122.778 122.778 111.023 11.755 19876 1541 1 3 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.513 -0.726 19876 1542 1 3 . 1 1 37 37 VAL C C 37 173.396 173.396 174.013 -0.617 19876 1543 1 3 . 1 1 37 37 VAL CA C 37 61.284 61.284 59.809 1.475 19876 1544 1 3 . 1 1 37 37 VAL CB C 37 33.534 33.534 34.756 -1.222 19876 1545 1 3 . 1 1 37 37 VAL H H 37 7.712 7.712 7.650 0.062 19876 1546 1 3 . 1 1 38 38 ASN N N 38 121.869 121.869 120.056 1.813 19876 1547 1 3 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.786 -0.551 19876 1548 1 3 . 1 1 38 38 ASN C C 38 172.186 172.186 174.863 -2.677 19876 1549 1 3 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.727 1.343 19876 1550 1 3 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.164 1.465 19876 1551 1 3 . 1 1 38 38 ASN H H 38 7.768 7.768 8.575 -0.807 19876 1552 1 3 . 1 1 39 39 ASP N N 39 123.332 123.332 127.461 -4.129 19876 1553 1 3 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.539 0.320 19876 1554 1 3 . 1 1 39 39 ASP C C 39 173.301 173.301 176.579 -3.278 19876 1555 1 3 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.679 -2.819 19876 1556 1 3 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.874 -0.166 19876 1557 1 3 . 1 1 39 39 ASP H H 39 8.300 8.300 8.198 0.102 19876 1558 1 3 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.382 -0.226 19876 1559 1 3 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.826 -0.892 19876 1560 1 3 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.030 0.862 19876 1561 1 3 . 1 1 41 41 THR N N 41 107.824 107.824 111.097 -3.273 19876 1562 1 3 . 1 1 41 41 THR HA H 41 4.191 4.191 4.235 -0.044 19876 1563 1 3 . 1 1 41 41 THR C C 41 173.405 173.405 174.916 -1.511 19876 1564 1 3 . 1 1 41 41 THR CA C 41 61.283 61.283 63.075 -1.792 19876 1565 1 3 . 1 1 41 41 THR CB C 41 69.351 69.351 69.026 0.325 19876 1566 1 3 . 1 1 41 41 THR H H 41 7.923 7.923 8.295 -0.372 19876 1567 1 3 . 1 1 42 42 SER N N 42 118.745 118.745 117.424 1.321 19876 1568 1 3 . 1 1 42 42 SER HA H 42 4.187 4.187 4.289 -0.102 19876 1569 1 3 . 1 1 42 42 SER C C 42 172.750 172.750 175.591 -2.841 19876 1570 1 3 . 1 1 42 42 SER CA C 42 58.320 58.320 58.270 0.049 19876 1571 1 3 . 1 1 42 42 SER CB C 42 64.569 64.569 64.088 0.481 19876 1572 1 3 . 1 1 42 42 SER H H 42 7.705 7.705 7.650 0.055 19876 1573 1 3 . 1 1 43 43 ALA N N 43 124.591 124.591 128.635 -4.044 19876 1574 1 3 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.888 0.072 19876 1575 1 3 . 1 1 43 43 ALA C C 43 178.795 178.795 179.107 -0.312 19876 1576 1 3 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.438 -0.302 19876 1577 1 3 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.352 -0.207 19876 1578 1 3 . 1 1 43 43 ALA H H 43 8.540 8.540 8.746 -0.206 19876 1579 1 3 . 1 1 44 44 VAL N N 44 115.734 115.734 116.464 -0.730 19876 1580 1 3 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.428 0.291 19876 1581 1 3 . 1 1 44 44 VAL C C 44 176.057 176.057 177.682 -1.625 19876 1582 1 3 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.825 -1.123 19876 1583 1 3 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.155 0.580 19876 1584 1 3 . 1 1 44 44 VAL H H 44 7.836 7.836 7.507 0.329 19876 1585 1 3 . 1 1 45 45 ASN N N 45 123.038 123.038 118.861 4.177 19876 1586 1 3 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.302 -0.258 19876 1587 1 3 . 1 1 45 45 ASN C C 45 176.022 176.022 177.807 -1.785 19876 1588 1 3 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.146 0.689 19876 1589 1 3 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.359 -0.638 19876 1590 1 3 . 1 1 45 45 ASN H H 45 7.709 7.709 7.403 0.306 19876 1591 1 3 . 1 1 46 46 LEU N N 46 122.005 122.005 121.161 0.844 19876 1592 1 3 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.780 0.146 19876 1593 1 3 . 1 1 46 46 LEU C C 46 178.192 178.192 179.095 -0.903 19876 1594 1 3 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.509 -0.466 19876 1595 1 3 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.597 -0.767 19876 1596 1 3 . 1 1 46 46 LEU H H 46 8.239 8.239 8.669 -0.430 19876 1597 1 3 . 1 1 47 47 GLN N N 47 119.394 119.394 118.160 1.234 19876 1598 1 3 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.849 0.122 19876 1599 1 3 . 1 1 47 47 GLN C C 47 177.762 177.762 178.844 -1.082 19876 1600 1 3 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.188 -0.497 19876 1601 1 3 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.581 -0.454 19876 1602 1 3 . 1 1 47 47 GLN H H 47 7.825 7.825 8.491 -0.666 19876 1603 1 3 . 1 1 48 48 LEU N N 48 122.808 122.808 119.321 3.487 19876 1604 1 3 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.783 -0.040 19876 1605 1 3 . 1 1 48 48 LEU C C 48 177.366 177.366 178.625 -1.259 19876 1606 1 3 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.285 -0.011 19876 1607 1 3 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.796 0.663 19876 1608 1 3 . 1 1 48 48 LEU H H 48 7.625 7.625 8.509 -0.884 19876 1609 1 3 . 1 1 49 49 ASN N N 49 117.784 117.784 117.775 0.009 19876 1610 1 3 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.340 -0.054 19876 1611 1 3 . 1 1 49 49 ASN C C 49 176.893 176.893 176.989 -0.096 19876 1612 1 3 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.561 -0.425 19876 1613 1 3 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.327 -0.717 19876 1614 1 3 . 1 1 49 49 ASN H H 49 7.797 7.797 8.778 -0.981 19876 1615 1 3 . 1 1 50 50 ASP N N 50 120.887 120.887 121.184 -0.297 19876 1616 1 3 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.420 -0.116 19876 1617 1 3 . 1 1 50 50 ASP C C 50 177.452 177.452 178.202 -0.750 19876 1618 1 3 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.277 0.110 19876 1619 1 3 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.236 -0.646 19876 1620 1 3 . 1 1 50 50 ASP H H 50 7.868 7.868 8.379 -0.511 19876 1621 1 3 . 1 1 51 51 LEU N N 51 123.117 123.117 121.728 1.389 19876 1622 1 3 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.606 0.552 19876 1623 1 3 . 1 1 51 51 LEU C C 51 177.345 177.345 179.556 -2.211 19876 1624 1 3 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.343 -0.379 19876 1625 1 3 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.962 -0.961 19876 1626 1 3 . 1 1 51 51 LEU H H 51 7.627 7.627 8.464 -0.837 19876 1627 1 3 . 1 1 52 52 ILE N N 52 120.007 120.007 118.329 1.678 19876 1628 1 3 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.486 -0.119 19876 1629 1 3 . 1 1 52 52 ILE C C 52 176.246 176.246 177.842 -1.596 19876 1630 1 3 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.092 0.928 19876 1631 1 3 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.489 0.693 19876 1632 1 3 . 1 1 52 52 ILE H H 52 8.309 8.309 8.771 -0.462 19876 1633 1 3 . 1 1 53 53 GLU N N 53 117.619 117.619 119.450 -1.831 19876 1634 1 3 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.896 0.035 19876 1635 1 3 . 1 1 53 53 GLU C C 53 178.193 178.193 178.905 -0.712 19876 1636 1 3 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.976 -0.523 19876 1637 1 3 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.523 -0.175 19876 1638 1 3 . 1 1 53 53 GLU H H 53 7.965 7.965 7.810 0.155 19876 1639 1 3 . 1 1 54 54 HIS N N 54 120.335 120.335 119.794 0.541 19876 1640 1 3 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.399 -0.087 19876 1641 1 3 . 1 1 54 54 HIS C C 54 177.331 177.331 178.112 -0.781 19876 1642 1 3 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.303 0.259 19876 1643 1 3 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.497 0.701 19876 1644 1 3 . 1 1 54 54 HIS H H 54 8.117 8.117 8.820 -0.703 19876 1645 1 3 . 1 1 55 55 ILE N N 55 120.694 120.694 120.994 -0.300 19876 1646 1 3 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.552 -0.113 19876 1647 1 3 . 1 1 55 55 ILE C C 55 176.281 176.281 177.470 -1.189 19876 1648 1 3 . 1 1 55 55 ILE CA C 55 65.951 65.951 64.454 1.497 19876 1649 1 3 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.521 -0.492 19876 1650 1 3 . 1 1 55 55 ILE H H 55 8.655 8.655 8.517 0.138 19876 1651 1 3 . 1 1 56 56 ALA N N 56 123.896 123.896 123.922 -0.026 19876 1652 1 3 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.816 -0.055 19876 1653 1 3 . 1 1 56 56 ALA C C 56 179.581 179.581 179.282 0.299 19876 1654 1 3 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.698 -0.086 19876 1655 1 3 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.126 -0.477 19876 1656 1 3 . 1 1 56 56 ALA H H 56 9.063 9.063 8.838 0.225 19876 1657 1 3 . 1 1 57 57 SER N N 57 114.014 114.014 115.118 -1.104 19876 1658 1 3 . 1 1 57 57 SER HA H 57 4.165 4.165 4.172 -0.007 19876 1659 1 3 . 1 1 57 57 SER C C 57 175.540 175.540 176.445 -0.905 19876 1660 1 3 . 1 1 57 57 SER CA C 57 61.491 61.491 61.532 -0.041 19876 1661 1 3 . 1 1 57 57 SER CB C 57 62.640 62.640 62.618 0.022 19876 1662 1 3 . 1 1 57 57 SER H H 57 7.918 7.918 8.771 -0.853 19876 1663 1 3 . 1 1 58 58 PHE N N 58 125.013 125.013 123.189 1.824 19876 1664 1 3 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.297 -0.279 19876 1665 1 3 . 1 1 58 58 PHE C C 58 177.343 177.343 177.147 0.196 19876 1666 1 3 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.306 1.370 19876 1667 1 3 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.002 0.182 19876 1668 1 3 . 1 1 58 58 PHE H H 58 8.024 8.024 7.574 0.450 19876 1669 1 3 . 1 1 59 59 VAL N N 59 120.373 120.373 120.478 -0.105 19876 1670 1 3 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.136 0.521 19876 1671 1 3 . 1 1 59 59 VAL C C 59 175.403 175.403 177.845 -2.442 19876 1672 1 3 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.345 -1.243 19876 1673 1 3 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.454 -0.017 19876 1674 1 3 . 1 1 59 59 VAL H H 59 9.263 9.263 8.795 0.468 19876 1675 1 3 . 1 1 60 60 MET N N 60 120.360 120.360 118.801 1.559 19876 1676 1 3 . 1 1 60 60 MET HA H 60 4.002 4.002 3.862 0.140 19876 1677 1 3 . 1 1 60 60 MET C C 60 177.417 177.417 178.735 -1.318 19876 1678 1 3 . 1 1 60 60 MET CA C 60 59.396 59.396 59.532 -0.136 19876 1679 1 3 . 1 1 60 60 MET CB C 60 31.986 31.986 32.599 -0.613 19876 1680 1 3 . 1 1 60 60 MET H H 60 7.826 7.826 8.840 -1.014 19876 1681 1 3 . 1 1 61 61 SER N N 61 113.289 113.289 114.435 -1.146 19876 1682 1 3 . 1 1 61 61 SER HA H 61 4.035 4.035 4.187 -0.152 19876 1683 1 3 . 1 1 61 61 SER CA C 61 61.619 61.619 61.179 0.439 19876 1684 1 3 . 1 1 61 61 SER CB C 61 62.600 62.600 62.768 -0.168 19876 1685 1 3 . 1 1 61 61 SER H H 61 7.230 7.230 7.889 -0.659 19876 1686 1 3 . 1 1 62 62 PHE N N 62 126.395 126.395 124.549 1.846 19876 1687 1 3 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.950 -0.309 19876 1688 1 3 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.731 0.213 19876 1689 1 3 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.771 1.691 19876 1690 1 3 . 1 1 62 62 PHE H H 62 8.681 8.681 8.740 -0.059 19876 1691 1 3 . 1 1 63 63 LYS N N 63 116.676 116.676 116.572 0.104 19876 1692 1 3 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.277 -0.245 19876 1693 1 3 . 1 1 63 63 LYS C C 63 177.262 177.262 178.217 -0.955 19876 1694 1 3 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.761 -0.074 19876 1695 1 3 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.964 0.885 19876 1696 1 3 . 1 1 63 63 LYS H H 63 8.585 8.585 8.672 -0.087 19876 1697 1 3 . 1 1 64 64 ILE N N 64 117.020 117.020 118.137 -1.117 19876 1698 1 3 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.850 -0.327 19876 1699 1 3 . 1 1 64 64 ILE C C 64 176.151 176.151 177.953 -1.802 19876 1700 1 3 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.808 -0.815 19876 1701 1 3 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.158 0.019 19876 1702 1 3 . 1 1 64 64 ILE H H 64 6.751 6.751 7.797 -1.046 19876 1703 1 3 . 1 1 65 65 LYS N N 65 120.165 120.165 118.139 2.026 19876 1704 1 3 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.048 -0.609 19876 1705 1 3 . 1 1 65 65 LYS C C 65 175.133 175.133 176.840 -1.707 19876 1706 1 3 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.112 0.843 19876 1707 1 3 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.248 -0.291 19876 1708 1 3 . 1 1 65 65 LYS H H 65 7.058 7.058 7.643 -0.585 19876 1709 1 3 . 1 1 66 66 TYR N N 66 115.421 115.421 121.651 -6.230 19876 1710 1 3 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.803 0.085 19876 1711 1 3 . 1 1 66 66 TYR C C 66 173.061 173.061 173.734 -0.673 19876 1712 1 3 . 1 1 66 66 TYR CA C 66 54.529 54.529 54.542 -0.013 19876 1713 1 3 . 1 1 66 66 TYR CB C 66 36.669 36.669 38.921 -2.252 19876 1714 1 3 . 1 1 66 66 TYR H H 66 7.784 7.784 8.276 -0.492 19876 1715 1 3 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.559 -0.202 19876 1716 1 3 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.043 0.467 19876 1717 1 3 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.353 -0.448 19876 1718 1 3 . 1 1 68 68 ASP N N 68 117.110 117.110 120.605 -3.495 19876 1719 1 3 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.393 0.334 19876 1720 1 3 . 1 1 68 68 ASP C C 68 175.024 175.024 176.171 -1.147 19876 1721 1 3 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.132 -1.389 19876 1722 1 3 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.382 0.112 19876 1723 1 3 . 1 1 68 68 ASP H H 68 8.548 8.548 8.694 -0.146 19876 1724 1 3 . 1 1 69 69 ASP N N 69 122.994 122.994 114.868 8.126 19876 1725 1 3 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.192 0.799 19876 1726 1 3 . 1 1 69 69 ASP C C 69 174.782 174.782 176.870 -2.088 19876 1727 1 3 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.013 1.302 19876 1728 1 3 . 1 1 69 69 ASP CB C 69 40.163 40.163 39.509 0.654 19876 1729 1 3 . 1 1 69 69 ASP H H 69 7.545 7.545 8.205 -0.660 19876 1730 1 3 . 1 1 70 70 GLY N N 70 107.712 107.712 109.580 -1.868 19876 1731 1 3 . 1 1 70 70 GLY C C 70 173.987 173.987 175.402 -1.415 19876 1732 1 3 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.638 -0.306 19876 1733 1 3 . 1 1 70 70 GLY H H 70 7.879 7.879 7.753 0.126 19876 1734 1 3 . 1 1 71 71 ASP N N 71 119.785 119.785 121.753 -1.968 19876 1735 1 3 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.269 -0.074 19876 1736 1 3 . 1 1 71 71 ASP C C 71 177.114 177.114 178.407 -1.293 19876 1737 1 3 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.048 0.004 19876 1738 1 3 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.314 -0.969 19876 1739 1 3 . 1 1 71 71 ASP H H 71 8.447 8.447 8.064 0.383 19876 1740 1 3 . 1 1 72 72 LEU N N 72 119.776 119.776 121.071 -1.295 19876 1741 1 3 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.862 0.005 19876 1742 1 3 . 1 1 72 72 LEU C C 72 176.531 176.531 177.741 -1.210 19876 1743 1 3 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.400 -0.948 19876 1744 1 3 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.722 0.013 19876 1745 1 3 . 1 1 72 72 LEU H H 72 7.562 7.562 7.905 -0.343 19876 1746 1 3 . 1 1 73 73 SER N N 73 113.964 113.964 115.733 -1.769 19876 1747 1 3 . 1 1 73 73 SER HA H 73 3.605 3.605 3.860 -0.255 19876 1748 1 3 . 1 1 73 73 SER C C 73 174.610 174.610 176.556 -1.946 19876 1749 1 3 . 1 1 73 73 SER CA C 73 62.161 62.161 61.986 0.175 19876 1750 1 3 . 1 1 73 73 SER CB C 73 62.158 62.158 62.077 0.081 19876 1751 1 3 . 1 1 73 73 SER H H 73 8.050 8.050 8.238 -0.188 19876 1752 1 3 . 1 1 74 74 GLU N N 74 119.742 119.742 123.352 -3.610 19876 1753 1 3 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.138 -0.067 19876 1754 1 3 . 1 1 74 74 GLU C C 74 178.089 178.089 178.814 -0.725 19876 1755 1 3 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.457 -0.355 19876 1756 1 3 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.579 -0.366 19876 1757 1 3 . 1 1 74 74 GLU H H 74 8.623 8.623 8.529 0.094 19876 1758 1 3 . 1 1 75 75 LEU N N 75 122.325 122.325 120.904 1.421 19876 1759 1 3 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.018 0.225 19876 1760 1 3 . 1 1 75 75 LEU C C 75 177.962 177.962 178.819 -0.857 19876 1761 1 3 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.567 -0.187 19876 1762 1 3 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.328 0.076 19876 1763 1 3 . 1 1 75 75 LEU H H 75 7.255 7.255 8.223 -0.968 19876 1764 1 3 . 1 1 76 76 VAL N N 76 119.514 119.514 119.645 -0.131 19876 1765 1 3 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.511 0.076 19876 1766 1 3 . 1 1 76 76 VAL C C 76 176.909 176.909 178.110 -1.201 19876 1767 1 3 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.438 -0.177 19876 1768 1 3 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.196 -0.253 19876 1769 1 3 . 1 1 76 76 VAL H H 76 8.235 8.235 8.864 -0.629 19876 1770 1 3 . 1 1 77 77 GLU N N 77 118.692 118.692 119.951 -1.259 19876 1771 1 3 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.909 -0.170 19876 1772 1 3 . 1 1 77 77 GLU C C 77 177.692 177.692 179.103 -1.411 19876 1773 1 3 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.169 0.838 19876 1774 1 3 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.195 -0.038 19876 1775 1 3 . 1 1 77 77 GLU H H 77 8.204 8.204 8.644 -0.440 19876 1776 1 3 . 1 1 78 78 GLU N N 78 121.945 121.945 120.450 1.495 19876 1777 1 3 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.052 -0.024 19876 1778 1 3 . 1 1 78 78 GLU C C 78 176.559 176.559 178.987 -2.428 19876 1779 1 3 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.524 0.050 19876 1780 1 3 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.669 0.216 19876 1781 1 3 . 1 1 78 78 GLU H H 78 8.058 8.058 8.482 -0.424 19876 1782 1 3 . 1 1 79 79 TYR N N 79 119.945 119.945 121.824 -1.879 19876 1783 1 3 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.261 0.139 19876 1784 1 3 . 1 1 79 79 TYR C C 79 178.365 178.365 178.318 0.047 19876 1785 1 3 . 1 1 79 79 TYR CA C 79 60.101 60.101 59.585 0.516 19876 1786 1 3 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.142 0.496 19876 1787 1 3 . 1 1 79 79 TYR H H 79 8.347 8.347 8.883 -0.536 19876 1788 1 3 . 1 1 80 80 LEU N N 80 123.586 123.586 119.773 3.813 19876 1789 1 3 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.816 -0.167 19876 1790 1 3 . 1 1 80 80 LEU C C 80 177.594 177.594 179.199 -1.605 19876 1791 1 3 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.635 0.044 19876 1792 1 3 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.341 -0.699 19876 1793 1 3 . 1 1 80 80 LEU H H 80 9.113 9.113 9.013 0.100 19876 1794 1 3 . 1 1 81 81 ASP N N 81 121.522 121.522 119.440 2.082 19876 1795 1 3 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.464 -0.058 19876 1796 1 3 . 1 1 81 81 ASP C C 81 178.021 178.021 178.816 -0.795 19876 1797 1 3 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.012 -0.323 19876 1798 1 3 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.535 0.107 19876 1799 1 3 . 1 1 81 81 ASP H H 81 8.228 8.228 8.682 -0.454 19876 1800 1 3 . 1 1 82 82 ASP N N 82 120.931 120.931 120.259 0.672 19876 1801 1 3 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.499 -0.077 19876 1802 1 3 . 1 1 82 82 ASP C C 82 178.342 178.342 179.015 -0.673 19876 1803 1 3 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.862 0.045 19876 1804 1 3 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.823 0.010 19876 1805 1 3 . 1 1 82 82 ASP H H 82 9.139 9.139 8.809 0.330 19876 1806 1 3 . 1 1 83 83 THR N N 83 118.686 118.686 118.019 0.667 19876 1807 1 3 . 1 1 83 83 THR HA H 83 3.415 3.415 3.801 -0.386 19876 1808 1 3 . 1 1 83 83 THR C C 83 173.663 173.663 176.511 -2.848 19876 1809 1 3 . 1 1 83 83 THR CA C 83 67.258 67.258 66.997 0.261 19876 1810 1 3 . 1 1 83 83 THR CB C 83 68.017 68.017 69.239 -1.222 19876 1811 1 3 . 1 1 83 83 THR H H 83 8.394 8.394 8.833 -0.439 19876 1812 1 3 . 1 1 84 84 TYR N N 84 122.004 122.004 122.976 -0.972 19876 1813 1 3 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.150 -0.407 19876 1814 1 3 . 1 1 84 84 TYR C C 84 177.983 177.983 177.911 0.072 19876 1815 1 3 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.230 0.877 19876 1816 1 3 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.117 0.334 19876 1817 1 3 . 1 1 84 84 TYR H H 84 8.561 8.561 9.085 -0.524 19876 1818 1 3 . 1 1 85 85 THR N N 85 116.249 116.249 116.171 0.078 19876 1819 1 3 . 1 1 85 85 THR HA H 85 3.409 3.409 3.394 0.015 19876 1820 1 3 . 1 1 85 85 THR C C 85 174.628 174.628 176.547 -1.919 19876 1821 1 3 . 1 1 85 85 THR CA C 85 66.483 66.483 66.175 0.308 19876 1822 1 3 . 1 1 85 85 THR CB C 85 68.604 68.604 68.398 0.206 19876 1823 1 3 . 1 1 85 85 THR H H 85 8.749 8.749 8.503 0.246 19876 1824 1 3 . 1 1 86 86 LEU N N 86 121.835 121.835 122.504 -0.669 19876 1825 1 3 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.761 -0.206 19876 1826 1 3 . 1 1 86 86 LEU C C 86 176.057 176.057 178.870 -2.813 19876 1827 1 3 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.756 0.250 19876 1828 1 3 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.783 0.990 19876 1829 1 3 . 1 1 86 86 LEU H H 86 7.257 7.257 8.158 -0.901 19876 1830 1 3 . 1 1 87 87 PHE N N 87 111.264 111.264 116.091 -4.827 19876 1831 1 3 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.227 -0.250 19876 1832 1 3 . 1 1 87 87 PHE C C 87 174.687 174.687 178.068 -3.381 19876 1833 1 3 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.809 -0.069 19876 1834 1 3 . 1 1 87 87 PHE CB C 87 38.431 38.431 38.428 0.003 19876 1835 1 3 . 1 1 87 87 PHE H H 87 7.168 7.168 8.254 -1.086 19876 1836 1 3 . 1 1 88 88 SER N N 88 112.848 112.848 113.264 -0.416 19876 1837 1 3 . 1 1 88 88 SER HA H 88 4.207 4.207 4.253 -0.046 19876 1838 1 3 . 1 1 88 88 SER C C 88 172.760 172.760 173.986 -1.226 19876 1839 1 3 . 1 1 88 88 SER CA C 88 58.725 58.725 59.679 -0.955 19876 1840 1 3 . 1 1 88 88 SER CB C 88 63.342 63.342 63.545 -0.203 19876 1841 1 3 . 1 1 88 88 SER H H 88 7.290 7.290 7.841 -0.551 19876 1842 1 3 . 1 1 89 89 SER N N 89 116.554 116.554 116.577 -0.023 19876 1843 1 3 . 1 1 89 89 SER HA H 89 4.347 4.347 4.414 -0.067 19876 1844 1 3 . 1 1 89 89 SER C C 89 172.251 172.251 174.369 -2.118 19876 1845 1 3 . 1 1 89 89 SER CA C 89 57.597 57.597 58.390 -0.793 19876 1846 1 3 . 1 1 89 89 SER CB C 89 64.426 64.426 63.812 0.614 19876 1847 1 3 . 1 1 89 89 SER H H 89 7.064 7.064 7.245 -0.181 19876 1848 1 3 . 1 1 90 90 TYR N N 90 122.348 122.348 122.627 -0.279 19876 1849 1 3 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.145 0.198 19876 1850 1 3 . 1 1 90 90 TYR C C 90 175.043 175.043 175.941 -0.898 19876 1851 1 3 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.184 -2.212 19876 1852 1 3 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.936 -1.310 19876 1853 1 3 . 1 1 90 90 TYR H H 90 8.446 8.446 8.585 -0.139 19876 1854 1 3 . 1 1 91 91 GLY N N 91 111.349 111.349 102.963 8.386 19876 1855 1 3 . 1 1 91 91 GLY C C 91 170.874 170.874 173.339 -2.465 19876 1856 1 3 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.704 1.030 19876 1857 1 3 . 1 1 91 91 GLY H H 91 7.820 7.820 7.779 0.041 19876 1858 1 3 . 1 1 92 92 ILE N N 92 121.703 121.703 121.141 0.562 19876 1859 1 3 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.861 0.017 19876 1860 1 3 . 1 1 92 92 ILE C C 92 173.956 173.956 176.122 -2.166 19876 1861 1 3 . 1 1 92 92 ILE CA C 92 60.127 60.127 59.510 0.618 19876 1862 1 3 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.962 1.480 19876 1863 1 3 . 1 1 92 92 ILE H H 92 8.032 8.032 8.282 -0.250 19876 1864 1 3 . 1 1 93 93 ASN N N 93 125.791 125.791 127.568 -1.777 19876 1865 1 3 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.689 0.225 19876 1866 1 3 . 1 1 93 93 ASN C C 93 173.468 173.468 175.658 -2.190 19876 1867 1 3 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.741 -1.299 19876 1868 1 3 . 1 1 93 93 ASN CB C 93 40.147 40.147 38.843 1.304 19876 1869 1 3 . 1 1 93 93 ASN H H 93 8.423 8.423 8.345 0.078 19876 1870 1 3 . 1 1 94 94 ASP N N 94 122.019 122.019 126.397 -4.378 19876 1871 1 3 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.506 -0.015 19876 1872 1 3 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.488 -0.370 19876 1873 1 3 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.492 -0.204 19876 1874 1 3 . 1 1 94 94 ASP H H 94 8.710 8.710 8.813 -0.103 19876 1875 1 3 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.269 -0.115 19876 1876 1 3 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.108 0.447 19876 1877 1 3 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.368 -0.619 19876 1878 1 3 . 1 1 96 96 GLU N N 96 117.965 117.965 118.033 -0.068 19876 1879 1 3 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.080 -0.219 19876 1880 1 3 . 1 1 96 96 GLU C C 96 177.730 177.730 179.208 -1.478 19876 1881 1 3 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.038 -0.156 19876 1882 1 3 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.955 -0.117 19876 1883 1 3 . 1 1 96 96 GLU H H 96 7.954 7.954 8.505 -0.551 19876 1884 1 3 . 1 1 97 97 LEU N N 97 124.427 124.427 121.512 2.915 19876 1885 1 3 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.927 0.182 19876 1886 1 3 . 1 1 97 97 LEU C C 97 177.211 177.211 178.844 -1.633 19876 1887 1 3 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.384 -0.333 19876 1888 1 3 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.667 0.104 19876 1889 1 3 . 1 1 97 97 LEU H H 97 7.825 7.825 8.316 -0.491 19876 1890 1 3 . 1 1 98 98 GLN N N 98 117.195 117.195 117.715 -0.520 19876 1891 1 3 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.016 -0.026 19876 1892 1 3 . 1 1 98 98 GLN C C 98 177.762 177.762 178.959 -1.197 19876 1893 1 3 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.761 -0.138 19876 1894 1 3 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.867 0.133 19876 1895 1 3 . 1 1 98 98 GLN H H 98 8.481 8.481 8.807 -0.326 19876 1896 1 3 . 1 1 99 99 ARG N N 99 119.687 119.687 121.327 -1.640 19876 1897 1 3 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.031 -0.109 19876 1898 1 3 . 1 1 99 99 ARG C C 99 176.055 176.055 178.423 -2.368 19876 1899 1 3 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.823 -0.210 19876 1900 1 3 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.178 0.144 19876 1901 1 3 . 1 1 99 99 ARG H H 99 7.836 7.836 7.906 -0.070 19876 1902 1 3 . 1 1 100 100 TRP N N 100 119.762 119.762 122.347 -2.585 19876 1903 1 3 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.565 -0.336 19876 1904 1 3 . 1 1 100 100 TRP C C 100 176.004 176.004 178.445 -2.441 19876 1905 1 3 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.149 0.856 19876 1906 1 3 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.285 -0.337 19876 1907 1 3 . 1 1 100 100 TRP H H 100 7.731 7.731 8.972 -1.241 19876 1908 1 3 . 1 1 101 101 GLN N N 101 115.464 115.464 116.500 -1.036 19876 1909 1 3 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.693 -0.208 19876 1910 1 3 . 1 1 101 101 GLN C C 101 177.498 177.498 178.735 -1.237 19876 1911 1 3 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.539 -0.375 19876 1912 1 3 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.174 -0.092 19876 1913 1 3 . 1 1 101 101 GLN H H 101 8.277 8.277 8.891 -0.614 19876 1914 1 3 . 1 1 102 102 LYS N N 102 119.856 119.856 119.783 0.073 19876 1915 1 3 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.996 -0.084 19876 1916 1 3 . 1 1 102 102 LYS C C 102 178.364 178.364 178.932 -0.568 19876 1917 1 3 . 1 1 102 102 LYS CA C 102 59.179 59.179 60.228 -1.049 19876 1918 1 3 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.355 -0.530 19876 1919 1 3 . 1 1 102 102 LYS H H 102 8.047 8.047 7.993 0.054 19876 1920 1 3 . 1 1 103 103 THR N N 103 121.217 121.217 116.559 4.658 19876 1921 1 3 . 1 1 103 103 THR HA H 103 3.658 3.658 3.837 -0.179 19876 1922 1 3 . 1 1 103 103 THR C C 103 174.266 174.266 176.185 -1.919 19876 1923 1 3 . 1 1 103 103 THR CA C 103 66.206 66.206 66.502 -0.296 19876 1924 1 3 . 1 1 103 103 THR CB C 103 67.515 67.515 68.404 -0.889 19876 1925 1 3 . 1 1 103 103 THR H H 103 8.816 8.816 8.596 0.220 19876 1926 1 3 . 1 1 104 104 LYS N N 104 122.265 122.265 120.323 1.942 19876 1927 1 3 . 1 1 104 104 LYS HA H 104 3.051 3.051 2.365 0.686 19876 1928 1 3 . 1 1 104 104 LYS C C 104 176.952 176.952 178.960 -2.008 19876 1929 1 3 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.947 1.573 19876 1930 1 3 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.749 -0.409 19876 1931 1 3 . 1 1 104 104 LYS H H 104 8.258 8.258 8.106 0.152 19876 1932 1 3 . 1 1 105 105 GLU N N 105 118.912 118.912 119.063 -0.151 19876 1933 1 3 . 1 1 105 105 GLU HA H 105 3.598 3.598 4.372 -0.774 19876 1934 1 3 . 1 1 105 105 GLU C C 105 178.038 178.038 179.477 -1.439 19876 1935 1 3 . 1 1 105 105 GLU CA C 105 59.518 59.518 58.697 0.821 19876 1936 1 3 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.107 -0.075 19876 1937 1 3 . 1 1 105 105 GLU H H 105 7.963 7.963 7.553 0.410 19876 1938 1 3 . 1 1 106 106 ARG N N 106 120.201 120.201 120.624 -0.423 19876 1939 1 3 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.967 -0.271 19876 1940 1 3 . 1 1 106 106 ARG C C 106 177.744 177.744 178.740 -0.996 19876 1941 1 3 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.177 0.817 19876 1942 1 3 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.994 0.794 19876 1943 1 3 . 1 1 106 106 ARG H H 106 7.940 7.940 8.407 -0.467 19876 1944 1 3 . 1 1 107 107 LEU N N 107 120.982 120.982 118.833 2.149 19876 1945 1 3 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.758 -0.013 19876 1946 1 3 . 1 1 107 107 LEU C C 107 176.173 176.173 178.445 -2.272 19876 1947 1 3 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.070 -0.633 19876 1948 1 3 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.630 -0.762 19876 1949 1 3 . 1 1 107 107 LEU H H 107 8.242 8.242 8.021 0.221 19876 1950 1 3 . 1 1 108 108 PHE N N 108 117.793 117.793 116.924 0.869 19876 1951 1 3 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.561 -0.559 19876 1952 1 3 . 1 1 108 108 PHE C C 108 177.654 177.654 177.501 0.153 19876 1953 1 3 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.141 0.048 19876 1954 1 3 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.295 -1.510 19876 1955 1 3 . 1 1 108 108 PHE H H 108 8.772 8.772 8.101 0.671 19876 1956 1 3 . 1 1 109 109 ARG N N 109 121.726 121.726 119.343 2.383 19876 1957 1 3 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.025 -0.019 19876 1958 1 3 . 1 1 109 109 ARG C C 109 177.785 177.785 177.559 0.226 19876 1959 1 3 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.910 0.432 19876 1960 1 3 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.189 0.609 19876 1961 1 3 . 1 1 109 109 ARG H H 109 7.865 7.865 7.946 -0.081 19876 1962 1 3 . 1 1 110 110 LEU N N 110 121.486 121.486 117.823 3.663 19876 1963 1 3 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.028 0.066 19876 1964 1 3 . 1 1 110 110 LEU C C 110 178.537 178.537 178.947 -0.410 19876 1965 1 3 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.682 0.159 19876 1966 1 3 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.636 -0.815 19876 1967 1 3 . 1 1 110 110 LEU H H 110 7.338 7.338 7.302 0.036 19876 1968 1 3 . 1 1 111 111 PHE N N 111 115.883 115.883 117.933 -2.050 19876 1969 1 3 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.175 0.141 19876 1970 1 3 . 1 1 111 111 PHE C C 111 175.369 175.369 177.640 -2.271 19876 1971 1 3 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.072 -0.993 19876 1972 1 3 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.229 0.282 19876 1973 1 3 . 1 1 111 111 PHE H H 111 7.584 7.584 7.784 -0.200 19876 1974 1 3 . 1 1 112 112 SER N N 112 111.693 111.693 112.929 -1.236 19876 1975 1 3 . 1 1 112 112 SER HA H 112 4.329 4.329 4.443 -0.114 19876 1976 1 3 . 1 1 112 112 SER C C 112 173.353 173.353 175.048 -1.695 19876 1977 1 3 . 1 1 112 112 SER CA C 112 59.050 59.050 59.440 -0.390 19876 1978 1 3 . 1 1 112 112 SER CB C 112 63.841 63.841 63.375 0.466 19876 1979 1 3 . 1 1 112 112 SER H H 112 7.554 7.554 8.414 -0.860 19876 1980 1 3 . 1 1 113 113 GLY N N 113 109.665 109.665 108.858 0.807 19876 1981 1 3 . 1 1 113 113 GLY C C 113 173.407 173.407 174.337 -0.930 19876 1982 1 3 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.927 0.447 19876 1983 1 3 . 1 1 113 113 GLY H H 113 7.781 7.781 7.682 0.099 19876 1984 1 3 . 1 1 114 114 GLU N N 114 121.028 121.028 121.947 -0.919 19876 1985 1 3 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.411 -0.409 19876 1986 1 3 . 1 1 114 114 GLU C C 114 175.971 175.971 177.145 -1.174 19876 1987 1 3 . 1 1 114 114 GLU CA C 114 58.310 58.310 54.132 4.178 19876 1988 1 3 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.691 0.473 19876 1989 1 3 . 1 1 114 114 GLU H H 114 8.414 8.414 8.302 0.112 19876 1990 1 3 . 1 1 115 115 TYR N N 115 118.828 118.828 117.740 1.088 19876 1991 1 3 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.306 0.006 19876 1992 1 3 . 1 1 115 115 TYR C C 115 175.248 175.248 178.488 -3.240 19876 1993 1 3 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.930 -0.196 19876 1994 1 3 . 1 1 115 115 TYR CB C 115 38.371 38.371 37.161 1.210 19876 1995 1 3 . 1 1 115 115 TYR H H 115 7.939 7.939 7.569 0.370 19876 1996 1 3 . 1 1 116 116 ILE N N 116 120.412 120.412 120.296 0.116 19876 1997 1 3 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.653 0.090 19876 1998 1 3 . 1 1 116 116 ILE C C 116 175.591 175.591 177.989 -2.398 19876 1999 1 3 . 1 1 116 116 ILE CA C 116 62.136 62.136 62.959 -0.823 19876 2000 1 3 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.237 0.990 19876 2001 1 3 . 1 1 116 116 ILE H H 116 7.892 7.892 7.828 0.064 19876 2002 1 3 . 1 1 117 117 SER N N 117 117.142 117.142 115.372 1.770 19876 2003 1 3 . 1 1 117 117 SER HA H 117 4.141 4.141 4.091 0.050 19876 2004 1 3 . 1 1 117 117 SER C C 117 174.795 174.795 175.997 -1.202 19876 2005 1 3 . 1 1 117 117 SER CA C 117 60.437 60.437 61.748 -1.311 19876 2006 1 3 . 1 1 117 117 SER CB C 117 62.987 62.987 62.803 0.184 19876 2007 1 3 . 1 1 117 117 SER H H 117 8.127 8.127 8.433 -0.306 19876 2008 1 3 . 1 1 118 118 THR N N 118 115.779 115.779 115.871 -0.092 19876 2009 1 3 . 1 1 118 118 THR HA H 118 3.987 3.987 4.204 -0.217 19876 2010 1 3 . 1 1 118 118 THR C C 118 174.025 174.025 176.966 -2.941 19876 2011 1 3 . 1 1 118 118 THR CA C 118 64.026 64.026 64.501 -0.475 19876 2012 1 3 . 1 1 118 118 THR CB C 118 68.953 68.953 69.002 -0.049 19876 2013 1 3 . 1 1 118 118 THR H H 118 7.872 7.872 7.414 0.458 19876 2014 1 3 . 1 1 119 119 LEU N N 119 122.845 122.845 124.815 -1.970 19876 2015 1 3 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.775 0.273 19876 2016 1 3 . 1 1 119 119 LEU C C 119 176.246 176.246 177.590 -1.344 19876 2017 1 3 . 1 1 119 119 LEU CA C 119 56.081 56.081 58.432 -2.351 19876 2018 1 3 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.211 -0.006 19876 2019 1 3 . 1 1 119 119 LEU H H 119 7.679 7.679 8.340 -0.661 19876 2020 1 3 . 1 1 120 120 MET N N 120 117.447 117.447 111.644 5.803 19876 2021 1 3 . 1 1 120 120 MET HA H 120 4.243 4.243 4.745 -0.502 19876 2022 1 3 . 1 1 120 120 MET C C 120 174.594 174.594 176.136 -1.542 19876 2023 1 3 . 1 1 120 120 MET CA C 120 55.470 55.470 55.350 0.120 19876 2024 1 3 . 1 1 120 120 MET CB C 120 32.606 32.606 31.961 0.645 19876 2025 1 3 . 1 1 120 120 MET H H 120 7.812 7.812 8.329 -0.517 19876 2026 1 3 . 1 1 121 121 LYS N N 121 121.578 121.578 121.444 0.134 19876 2027 1 3 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.254 -0.019 19876 2028 1 3 . 1 1 121 121 LYS C C 121 174.539 174.539 177.463 -2.924 19876 2029 1 3 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.534 -2.053 19876 2030 1 3 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.967 -0.001 19876 2031 1 3 . 1 1 121 121 LYS H H 121 7.790 7.790 8.293 -0.503 19876 2032 1 4 . 1 1 2 2 ASP N N 2 122.949 122.949 122.752 0.197 19876 2033 1 4 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.221 0.223 19876 2034 1 4 . 1 1 2 2 ASP C C 2 174.891 174.891 175.649 -0.758 19876 2035 1 4 . 1 1 2 2 ASP CA C 2 53.622 53.622 56.184 -2.562 19876 2036 1 4 . 1 1 2 2 ASP CB C 2 41.319 41.319 40.486 0.833 19876 2037 1 4 . 1 1 2 2 ASP H H 2 8.386 8.386 8.585 -0.199 19876 2038 1 4 . 1 1 3 3 GLU N N 3 119.296 119.296 117.458 1.838 19876 2039 1 4 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.380 -0.516 19876 2040 1 4 . 1 1 3 3 GLU C C 3 175.006 175.006 175.527 -0.521 19876 2041 1 4 . 1 1 3 3 GLU CA C 3 58.073 58.073 54.984 3.089 19876 2042 1 4 . 1 1 3 3 GLU CB C 3 29.567 29.567 32.183 -2.616 19876 2043 1 4 . 1 1 3 3 GLU H H 3 8.601 8.601 7.885 0.716 19876 2044 1 4 . 1 1 4 4 TYR N N 4 118.038 118.038 119.545 -1.507 19876 2045 1 4 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.657 -0.204 19876 2046 1 4 . 1 1 4 4 TYR C C 4 174.761 174.761 175.746 -0.985 19876 2047 1 4 . 1 1 4 4 TYR CA C 4 57.574 57.574 58.794 -1.220 19876 2048 1 4 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.624 -0.629 19876 2049 1 4 . 1 1 4 4 TYR H H 4 8.049 8.049 8.311 -0.262 19876 2050 1 4 . 1 1 5 5 SER N N 5 118.519 118.519 114.717 3.802 19876 2051 1 4 . 1 1 5 5 SER HA H 5 4.444 4.444 4.934 -0.489 19876 2052 1 4 . 1 1 5 5 SER C C 5 171.907 171.907 171.860 0.047 19876 2053 1 4 . 1 1 5 5 SER CA C 5 57.173 57.173 56.204 0.969 19876 2054 1 4 . 1 1 5 5 SER CB C 5 62.104 62.104 64.353 -2.249 19876 2055 1 4 . 1 1 5 5 SER H H 5 7.759 7.759 7.853 -0.094 19876 2056 1 4 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.488 -0.044 19876 2057 1 4 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.928 0.669 19876 2058 1 4 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.114 -0.065 19876 2059 1 4 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.027 -0.239 19876 2060 1 4 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.473 -0.973 19876 2061 1 4 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.463 0.118 19876 2062 1 4 . 1 1 9 9 HIS N N 9 118.064 118.064 117.429 0.635 19876 2063 1 4 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.439 -0.157 19876 2064 1 4 . 1 1 9 9 HIS C C 9 176.264 176.264 178.032 -1.768 19876 2065 1 4 . 1 1 9 9 HIS CA C 9 59.043 59.043 60.201 -1.158 19876 2066 1 4 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.614 0.775 19876 2067 1 4 . 1 1 9 9 HIS H H 9 7.291 7.291 8.407 -1.116 19876 2068 1 4 . 1 1 10 10 ASP N N 10 122.089 122.089 120.111 1.978 19876 2069 1 4 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.871 -0.288 19876 2070 1 4 . 1 1 10 10 ASP C C 10 177.261 177.261 179.121 -1.860 19876 2071 1 4 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.206 -0.334 19876 2072 1 4 . 1 1 10 10 ASP CB C 10 40.569 40.569 41.030 -0.461 19876 2073 1 4 . 1 1 10 10 ASP H H 10 8.221 8.221 9.011 -0.790 19876 2074 1 4 . 1 1 11 11 VAL N N 11 119.318 119.318 120.227 -0.909 19876 2075 1 4 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.915 -0.428 19876 2076 1 4 . 1 1 11 11 VAL C C 11 175.661 175.661 178.137 -2.476 19876 2077 1 4 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.213 0.666 19876 2078 1 4 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.023 0.403 19876 2079 1 4 . 1 1 11 11 VAL H H 11 8.850 8.850 8.518 0.332 19876 2080 1 4 . 1 1 12 12 ALA N N 12 121.749 121.749 122.063 -0.314 19876 2081 1 4 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.530 0.239 19876 2082 1 4 . 1 1 12 12 ALA C C 12 179.484 179.484 179.508 -0.024 19876 2083 1 4 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.256 0.012 19876 2084 1 4 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.064 -0.322 19876 2085 1 4 . 1 1 12 12 ALA H H 12 7.676 7.676 8.923 -1.247 19876 2086 1 4 . 1 1 13 13 GLN N N 13 119.544 119.544 118.804 0.740 19876 2087 1 4 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.057 -0.050 19876 2088 1 4 . 1 1 13 13 GLN C C 13 176.075 176.075 178.131 -2.056 19876 2089 1 4 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.352 -1.120 19876 2090 1 4 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.747 -0.997 19876 2091 1 4 . 1 1 13 13 GLN H H 13 8.151 8.151 8.800 -0.649 19876 2092 1 4 . 1 1 14 14 LEU N N 14 121.127 121.127 120.593 0.534 19876 2093 1 4 . 1 1 14 14 LEU HA H 14 3.556 3.556 3.334 0.222 19876 2094 1 4 . 1 1 14 14 LEU C C 14 176.935 176.935 177.870 -0.935 19876 2095 1 4 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.005 -0.281 19876 2096 1 4 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.615 0.072 19876 2097 1 4 . 1 1 14 14 LEU H H 14 7.889 7.889 8.465 -0.576 19876 2098 1 4 . 1 1 15 15 LYS N N 15 120.458 120.458 118.570 1.888 19876 2099 1 4 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.622 0.040 19876 2100 1 4 . 1 1 15 15 LYS C C 15 176.022 176.022 178.425 -2.403 19876 2101 1 4 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.524 1.514 19876 2102 1 4 . 1 1 15 15 LYS CB C 15 32.211 32.211 30.678 1.533 19876 2103 1 4 . 1 1 15 15 LYS H H 15 8.174 8.174 7.693 0.481 19876 2104 1 4 . 1 1 16 16 PHE N N 16 119.257 119.257 120.111 -0.854 19876 2105 1 4 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.129 0.058 19876 2106 1 4 . 1 1 16 16 PHE C C 16 177.917 177.917 178.064 -0.147 19876 2107 1 4 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.318 0.012 19876 2108 1 4 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.174 0.320 19876 2109 1 4 . 1 1 16 16 PHE H H 16 7.855 7.855 8.078 -0.223 19876 2110 1 4 . 1 1 17 17 LEU N N 17 121.489 121.489 118.895 2.594 19876 2111 1 4 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.778 -0.180 19876 2112 1 4 . 1 1 17 17 LEU C C 17 177.988 177.988 178.956 -0.968 19876 2113 1 4 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.311 -0.349 19876 2114 1 4 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.871 0.827 19876 2115 1 4 . 1 1 17 17 LEU H H 17 8.560 8.560 8.691 -0.131 19876 2116 1 4 . 1 1 18 18 CYS N N 18 116.216 116.216 118.590 -2.374 19876 2117 1 4 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.207 0.028 19876 2118 1 4 . 1 1 18 18 CYS C C 18 176.987 176.987 177.492 -0.505 19876 2119 1 4 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.281 2.293 19876 2120 1 4 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.757 1.547 19876 2121 1 4 . 1 1 18 18 CYS H H 18 8.194 8.194 8.112 0.082 19876 2122 1 4 . 1 1 19 19 GLU N N 19 123.947 123.947 120.784 3.163 19876 2123 1 4 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.319 -0.434 19876 2124 1 4 . 1 1 19 19 GLU C C 19 176.436 176.436 179.397 -2.961 19876 2125 1 4 . 1 1 19 19 GLU CA C 19 59.886 59.886 60.178 -0.292 19876 2126 1 4 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.282 -0.001 19876 2127 1 4 . 1 1 19 19 GLU H H 19 8.842 8.842 9.073 -0.231 19876 2128 1 4 . 1 1 20 20 SER N N 20 116.500 116.500 115.655 0.845 19876 2129 1 4 . 1 1 20 20 SER HA H 20 4.056 4.056 4.320 -0.264 19876 2130 1 4 . 1 1 20 20 SER C C 20 174.835 174.835 176.744 -1.909 19876 2131 1 4 . 1 1 20 20 SER CA C 20 61.729 61.729 61.528 0.201 19876 2132 1 4 . 1 1 20 20 SER CB C 20 62.360 62.360 62.959 -0.599 19876 2133 1 4 . 1 1 20 20 SER H H 20 8.198 8.198 8.581 -0.383 19876 2134 1 4 . 1 1 21 21 LEU N N 21 121.186 121.186 124.462 -3.276 19876 2135 1 4 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.073 -0.162 19876 2136 1 4 . 1 1 21 21 LEU C C 21 175.905 175.905 178.403 -2.498 19876 2137 1 4 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.694 -0.741 19876 2138 1 4 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.062 -0.453 19876 2139 1 4 . 1 1 21 21 LEU H H 21 7.970 7.970 8.637 -0.667 19876 2140 1 4 . 1 1 22 22 TYR N N 22 119.690 119.690 119.935 -0.245 19876 2141 1 4 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.294 0.024 19876 2142 1 4 . 1 1 22 22 TYR C C 22 175.453 175.453 178.143 -2.690 19876 2143 1 4 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.804 1.436 19876 2144 1 4 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.789 -0.646 19876 2145 1 4 . 1 1 22 22 TYR H H 22 7.473 7.473 9.464 -1.991 19876 2146 1 4 . 1 1 23 23 ASP N N 23 118.291 118.291 118.433 -0.142 19876 2147 1 4 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.639 -0.592 19876 2148 1 4 . 1 1 23 23 ASP C C 23 178.796 178.796 178.843 -0.047 19876 2149 1 4 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.776 -0.492 19876 2150 1 4 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.042 -1.159 19876 2151 1 4 . 1 1 23 23 ASP H H 23 8.249 8.249 7.946 0.303 19876 2152 1 4 . 1 1 24 24 GLU N N 24 120.605 120.605 120.168 0.437 19876 2153 1 4 . 1 1 24 24 GLU HA H 24 3.931 3.931 4.027 -0.096 19876 2154 1 4 . 1 1 24 24 GLU C C 24 178.457 178.457 179.512 -1.055 19876 2155 1 4 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.531 -0.970 19876 2156 1 4 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.409 -0.487 19876 2157 1 4 . 1 1 24 24 GLU H H 24 8.347 8.347 8.814 -0.467 19876 2158 1 4 . 1 1 25 25 GLY N N 25 111.777 111.777 108.829 2.948 19876 2159 1 4 . 1 1 25 25 GLY C C 25 173.906 173.906 176.122 -2.216 19876 2160 1 4 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.191 0.277 19876 2161 1 4 . 1 1 25 25 GLY H H 25 8.701 8.701 9.087 -0.386 19876 2162 1 4 . 1 1 26 26 ILE N N 26 122.263 122.263 123.711 -1.448 19876 2163 1 4 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.727 0.030 19876 2164 1 4 . 1 1 26 26 ILE C C 26 178.116 178.116 178.301 -0.185 19876 2165 1 4 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.731 -1.500 19876 2166 1 4 . 1 1 26 26 ILE CB C 26 35.688 35.688 37.070 -1.382 19876 2167 1 4 . 1 1 26 26 ILE H H 26 8.717 8.717 8.126 0.591 19876 2168 1 4 . 1 1 27 27 ALA N N 27 122.092 122.092 121.865 0.227 19876 2169 1 4 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.089 -0.129 19876 2170 1 4 . 1 1 27 27 ALA C C 27 178.428 178.428 179.045 -0.617 19876 2171 1 4 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.330 -0.837 19876 2172 1 4 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.477 -0.427 19876 2173 1 4 . 1 1 27 27 ALA H H 27 7.672 7.672 8.771 -1.099 19876 2174 1 4 . 1 1 28 28 THR N N 28 115.031 115.031 112.880 2.151 19876 2175 1 4 . 1 1 28 28 THR HA H 28 3.734 3.734 4.303 -0.569 19876 2176 1 4 . 1 1 28 28 THR C C 28 174.403 174.403 176.906 -2.503 19876 2177 1 4 . 1 1 28 28 THR CA C 28 65.750 65.750 65.236 0.514 19876 2178 1 4 . 1 1 28 28 THR CB C 28 68.530 68.530 69.539 -1.009 19876 2179 1 4 . 1 1 28 28 THR H H 28 7.554 7.554 7.757 -0.203 19876 2180 1 4 . 1 1 29 29 LEU N N 29 121.356 121.356 121.689 -0.333 19876 2181 1 4 . 1 1 29 29 LEU HA H 29 3.810 3.810 3.991 -0.181 19876 2182 1 4 . 1 1 29 29 LEU C C 29 176.694 176.694 177.691 -0.997 19876 2183 1 4 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.340 -0.846 19876 2184 1 4 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.821 0.358 19876 2185 1 4 . 1 1 29 29 LEU H H 29 7.580 7.580 8.678 -1.098 19876 2186 1 4 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.521 0.382 19876 2187 1 4 . 1 1 31 31 ASP N N 31 119.983 119.983 121.117 -1.134 19876 2188 1 4 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.831 -0.268 19876 2189 1 4 . 1 1 31 31 ASP C C 31 175.609 175.609 174.781 0.828 19876 2190 1 4 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.072 0.811 19876 2191 1 4 . 1 1 31 31 ASP CB C 31 41.558 41.558 41.529 0.029 19876 2192 1 4 . 1 1 31 31 ASP H H 31 8.017 8.017 7.513 0.504 19876 2193 1 4 . 1 1 32 32 SER N N 32 118.027 118.027 117.633 0.394 19876 2194 1 4 . 1 1 32 32 SER HA H 32 4.191 4.191 4.441 -0.250 19876 2195 1 4 . 1 1 32 32 SER C C 32 178.747 178.747 175.955 2.792 19876 2196 1 4 . 1 1 32 32 SER CA C 32 59.247 59.247 57.165 2.082 19876 2197 1 4 . 1 1 32 32 SER CB C 32 63.224 63.224 62.969 0.254 19876 2198 1 4 . 1 1 32 32 SER H H 32 8.284 8.284 8.216 0.068 19876 2199 1 4 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.443 -0.098 19876 2200 1 4 . 1 1 33 33 HIS CA C 33 57.029 57.029 57.936 -0.907 19876 2201 1 4 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.817 -0.258 19876 2202 1 4 . 1 1 34 34 HIS N N 34 117.885 117.885 117.173 0.712 19876 2203 1 4 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.743 -0.259 19876 2204 1 4 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.745 0.202 19876 2205 1 4 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.448 -0.681 19876 2206 1 4 . 1 1 34 34 HIS H H 34 7.896 7.896 8.178 -0.282 19876 2207 1 4 . 1 1 35 35 GLY N N 35 108.681 108.681 105.996 2.685 19876 2208 1 4 . 1 1 35 35 GLY C C 35 172.466 172.466 173.916 -1.450 19876 2209 1 4 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.781 -0.482 19876 2210 1 4 . 1 1 35 35 GLY H H 35 7.864 7.864 8.230 -0.366 19876 2211 1 4 . 1 1 36 36 TRP N N 36 120.973 120.973 118.944 2.029 19876 2212 1 4 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.780 -0.286 19876 2213 1 4 . 1 1 36 36 TRP C C 36 174.594 174.594 175.146 -0.552 19876 2214 1 4 . 1 1 36 36 TRP CA C 36 57.866 57.866 59.278 -1.412 19876 2215 1 4 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.875 -1.288 19876 2216 1 4 . 1 1 36 36 TRP H H 36 7.809 7.809 8.395 -0.586 19876 2217 1 4 . 1 1 37 37 VAL N N 37 122.778 122.778 115.102 7.676 19876 2218 1 4 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.413 -0.626 19876 2219 1 4 . 1 1 37 37 VAL C C 37 173.396 173.396 174.869 -1.473 19876 2220 1 4 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.140 1.144 19876 2221 1 4 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.330 0.204 19876 2222 1 4 . 1 1 37 37 VAL H H 37 7.712 7.712 7.951 -0.239 19876 2223 1 4 . 1 1 38 38 ASN N N 38 121.869 121.869 120.843 1.026 19876 2224 1 4 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.820 -0.585 19876 2225 1 4 . 1 1 38 38 ASN C C 38 172.186 172.186 173.795 -1.609 19876 2226 1 4 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.523 1.547 19876 2227 1 4 . 1 1 38 38 ASN CB C 38 40.629 40.629 41.107 -0.478 19876 2228 1 4 . 1 1 38 38 ASN H H 38 7.768 7.768 9.115 -1.347 19876 2229 1 4 . 1 1 39 39 ASP N N 39 123.332 123.332 126.149 -2.817 19876 2230 1 4 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.666 0.193 19876 2231 1 4 . 1 1 39 39 ASP C C 39 173.301 173.301 176.097 -2.796 19876 2232 1 4 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.584 -2.724 19876 2233 1 4 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.857 -0.149 19876 2234 1 4 . 1 1 39 39 ASP H H 39 8.300 8.300 8.772 -0.472 19876 2235 1 4 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.336 -0.180 19876 2236 1 4 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.540 -0.606 19876 2237 1 4 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.722 1.170 19876 2238 1 4 . 1 1 41 41 THR N N 41 107.824 107.824 109.667 -1.843 19876 2239 1 4 . 1 1 41 41 THR HA H 41 4.191 4.191 4.277 -0.086 19876 2240 1 4 . 1 1 41 41 THR C C 41 173.405 173.405 174.587 -1.182 19876 2241 1 4 . 1 1 41 41 THR CA C 41 61.283 61.283 62.331 -1.048 19876 2242 1 4 . 1 1 41 41 THR CB C 41 69.351 69.351 69.536 -0.185 19876 2243 1 4 . 1 1 41 41 THR H H 41 7.923 7.923 8.250 -0.327 19876 2244 1 4 . 1 1 42 42 SER N N 42 118.745 118.745 117.740 1.005 19876 2245 1 4 . 1 1 42 42 SER HA H 42 4.187 4.187 4.231 -0.044 19876 2246 1 4 . 1 1 42 42 SER C C 42 172.750 172.750 175.601 -2.851 19876 2247 1 4 . 1 1 42 42 SER CA C 42 58.320 58.320 58.646 -0.326 19876 2248 1 4 . 1 1 42 42 SER CB C 42 64.569 64.569 64.697 -0.128 19876 2249 1 4 . 1 1 42 42 SER H H 42 7.705 7.705 7.740 -0.035 19876 2250 1 4 . 1 1 43 43 ALA N N 43 124.591 124.591 128.184 -3.593 19876 2251 1 4 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.961 -0.001 19876 2252 1 4 . 1 1 43 43 ALA C C 43 178.795 178.795 179.159 -0.364 19876 2253 1 4 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.410 -0.274 19876 2254 1 4 . 1 1 43 43 ALA CB C 43 18.144 18.144 17.870 0.274 19876 2255 1 4 . 1 1 43 43 ALA H H 43 8.540 8.540 8.811 -0.271 19876 2256 1 4 . 1 1 44 44 VAL N N 44 115.734 115.734 115.487 0.247 19876 2257 1 4 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.490 0.229 19876 2258 1 4 . 1 1 44 44 VAL C C 44 176.057 176.057 177.843 -1.786 19876 2259 1 4 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.783 -1.081 19876 2260 1 4 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.864 0.871 19876 2261 1 4 . 1 1 44 44 VAL H H 44 7.836 7.836 8.135 -0.299 19876 2262 1 4 . 1 1 45 45 ASN N N 45 123.038 123.038 118.640 4.398 19876 2263 1 4 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.799 0.245 19876 2264 1 4 . 1 1 45 45 ASN C C 45 176.022 176.022 177.758 -1.736 19876 2265 1 4 . 1 1 45 45 ASN CA C 45 56.835 56.835 55.759 1.076 19876 2266 1 4 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.075 -0.354 19876 2267 1 4 . 1 1 45 45 ASN H H 45 7.709 7.709 7.447 0.262 19876 2268 1 4 . 1 1 46 46 LEU N N 46 122.005 122.005 120.793 1.212 19876 2269 1 4 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.800 0.126 19876 2270 1 4 . 1 1 46 46 LEU C C 46 178.192 178.192 179.172 -0.980 19876 2271 1 4 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.360 -0.317 19876 2272 1 4 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.462 -0.632 19876 2273 1 4 . 1 1 46 46 LEU H H 46 8.239 8.239 8.557 -0.318 19876 2274 1 4 . 1 1 47 47 GLN N N 47 119.394 119.394 118.623 0.771 19876 2275 1 4 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.942 0.029 19876 2276 1 4 . 1 1 47 47 GLN C C 47 177.762 177.762 178.786 -1.024 19876 2277 1 4 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.367 -0.676 19876 2278 1 4 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.734 -0.607 19876 2279 1 4 . 1 1 47 47 GLN H H 47 7.825 7.825 8.401 -0.576 19876 2280 1 4 . 1 1 48 48 LEU N N 48 122.808 122.808 120.333 2.475 19876 2281 1 4 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.825 -0.082 19876 2282 1 4 . 1 1 48 48 LEU C C 48 177.366 177.366 178.760 -1.394 19876 2283 1 4 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.918 -0.644 19876 2284 1 4 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.160 0.299 19876 2285 1 4 . 1 1 48 48 LEU H H 48 7.625 7.625 8.723 -1.098 19876 2286 1 4 . 1 1 49 49 ASN N N 49 117.784 117.784 118.061 -0.277 19876 2287 1 4 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.325 -0.039 19876 2288 1 4 . 1 1 49 49 ASN C C 49 176.893 176.893 177.390 -0.497 19876 2289 1 4 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.449 -1.313 19876 2290 1 4 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.415 -0.805 19876 2291 1 4 . 1 1 49 49 ASN H H 49 7.797 7.797 8.447 -0.650 19876 2292 1 4 . 1 1 50 50 ASP N N 50 120.887 120.887 121.119 -0.232 19876 2293 1 4 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.431 -0.127 19876 2294 1 4 . 1 1 50 50 ASP C C 50 177.452 177.452 178.464 -1.012 19876 2295 1 4 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.256 0.131 19876 2296 1 4 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.107 -0.517 19876 2297 1 4 . 1 1 50 50 ASP H H 50 7.868 7.868 8.197 -0.329 19876 2298 1 4 . 1 1 51 51 LEU N N 51 123.117 123.117 121.200 1.917 19876 2299 1 4 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.908 0.251 19876 2300 1 4 . 1 1 51 51 LEU C C 51 177.345 177.345 179.357 -2.012 19876 2301 1 4 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.058 -1.094 19876 2302 1 4 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.065 -1.064 19876 2303 1 4 . 1 1 51 51 LEU H H 51 7.627 7.627 8.560 -0.933 19876 2304 1 4 . 1 1 52 52 ILE N N 52 120.007 120.007 118.396 1.611 19876 2305 1 4 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.594 -0.227 19876 2306 1 4 . 1 1 52 52 ILE C C 52 176.246 176.246 178.323 -2.077 19876 2307 1 4 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.984 1.036 19876 2308 1 4 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.542 0.640 19876 2309 1 4 . 1 1 52 52 ILE H H 52 8.309 8.309 8.840 -0.531 19876 2310 1 4 . 1 1 53 53 GLU N N 53 117.619 117.619 119.459 -1.840 19876 2311 1 4 . 1 1 53 53 GLU HA H 53 3.931 3.931 4.043 -0.112 19876 2312 1 4 . 1 1 53 53 GLU C C 53 178.193 178.193 178.881 -0.688 19876 2313 1 4 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.784 -0.331 19876 2314 1 4 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.561 -0.212 19876 2315 1 4 . 1 1 53 53 GLU H H 53 7.965 7.965 7.819 0.146 19876 2316 1 4 . 1 1 54 54 HIS N N 54 120.335 120.335 121.046 -0.711 19876 2317 1 4 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.358 -0.046 19876 2318 1 4 . 1 1 54 54 HIS C C 54 177.331 177.331 178.330 -0.999 19876 2319 1 4 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.321 0.241 19876 2320 1 4 . 1 1 54 54 HIS CB C 54 30.197 30.197 30.183 0.014 19876 2321 1 4 . 1 1 54 54 HIS H H 54 8.117 8.117 8.835 -0.718 19876 2322 1 4 . 1 1 55 55 ILE N N 55 120.694 120.694 119.059 1.635 19876 2323 1 4 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.715 -0.276 19876 2324 1 4 . 1 1 55 55 ILE C C 55 176.281 176.281 177.656 -1.375 19876 2325 1 4 . 1 1 55 55 ILE CA C 55 65.951 65.951 64.898 1.053 19876 2326 1 4 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.818 -0.789 19876 2327 1 4 . 1 1 55 55 ILE H H 55 8.655 8.655 8.918 -0.263 19876 2328 1 4 . 1 1 56 56 ALA N N 56 123.896 123.896 124.234 -0.338 19876 2329 1 4 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.940 -0.179 19876 2330 1 4 . 1 1 56 56 ALA C C 56 179.581 179.581 179.600 -0.019 19876 2331 1 4 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.669 -0.057 19876 2332 1 4 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.145 -0.496 19876 2333 1 4 . 1 1 56 56 ALA H H 56 9.063 9.063 8.526 0.537 19876 2334 1 4 . 1 1 57 57 SER N N 57 114.014 114.014 114.895 -0.881 19876 2335 1 4 . 1 1 57 57 SER HA H 57 4.165 4.165 4.245 -0.080 19876 2336 1 4 . 1 1 57 57 SER C C 57 175.540 175.540 176.929 -1.389 19876 2337 1 4 . 1 1 57 57 SER CA C 57 61.491 61.491 61.025 0.466 19876 2338 1 4 . 1 1 57 57 SER CB C 57 62.640 62.640 63.233 -0.593 19876 2339 1 4 . 1 1 57 57 SER H H 57 7.918 7.918 8.767 -0.849 19876 2340 1 4 . 1 1 58 58 PHE N N 58 125.013 125.013 124.410 0.603 19876 2341 1 4 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.310 -0.292 19876 2342 1 4 . 1 1 58 58 PHE C C 58 177.343 177.343 177.594 -0.251 19876 2343 1 4 . 1 1 58 58 PHE CA C 58 61.676 61.676 62.101 -0.425 19876 2344 1 4 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.197 -0.013 19876 2345 1 4 . 1 1 58 58 PHE H H 58 8.024 8.024 8.181 -0.157 19876 2346 1 4 . 1 1 59 59 VAL N N 59 120.373 120.373 120.006 0.367 19876 2347 1 4 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.629 0.028 19876 2348 1 4 . 1 1 59 59 VAL C C 59 175.403 175.403 178.085 -2.682 19876 2349 1 4 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.638 -1.536 19876 2350 1 4 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.440 -0.002 19876 2351 1 4 . 1 1 59 59 VAL H H 59 9.263 9.263 9.053 0.210 19876 2352 1 4 . 1 1 60 60 MET N N 60 120.360 120.360 119.162 1.198 19876 2353 1 4 . 1 1 60 60 MET HA H 60 4.002 4.002 3.993 0.009 19876 2354 1 4 . 1 1 60 60 MET C C 60 177.417 177.417 178.487 -1.070 19876 2355 1 4 . 1 1 60 60 MET CA C 60 59.396 59.396 59.924 -0.528 19876 2356 1 4 . 1 1 60 60 MET CB C 60 31.986 31.986 32.399 -0.413 19876 2357 1 4 . 1 1 60 60 MET H H 60 7.826 7.826 8.492 -0.666 19876 2358 1 4 . 1 1 61 61 SER N N 61 113.289 113.289 114.510 -1.221 19876 2359 1 4 . 1 1 61 61 SER HA H 61 4.035 4.035 4.112 -0.077 19876 2360 1 4 . 1 1 61 61 SER CA C 61 61.619 61.619 61.425 0.194 19876 2361 1 4 . 1 1 61 61 SER CB C 61 62.600 62.600 63.156 -0.556 19876 2362 1 4 . 1 1 61 61 SER H H 61 7.230 7.230 8.469 -1.239 19876 2363 1 4 . 1 1 62 62 PHE N N 62 126.395 126.395 125.236 1.159 19876 2364 1 4 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.492 -0.851 19876 2365 1 4 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.362 0.582 19876 2366 1 4 . 1 1 62 62 PHE CB C 62 40.462 40.462 39.283 1.179 19876 2367 1 4 . 1 1 62 62 PHE H H 62 8.681 8.681 8.782 -0.101 19876 2368 1 4 . 1 1 63 63 LYS N N 63 116.676 116.676 116.982 -0.306 19876 2369 1 4 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.098 -0.066 19876 2370 1 4 . 1 1 63 63 LYS C C 63 177.262 177.262 177.930 -0.668 19876 2371 1 4 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.995 -0.307 19876 2372 1 4 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.010 0.839 19876 2373 1 4 . 1 1 63 63 LYS H H 63 8.585 8.585 8.688 -0.103 19876 2374 1 4 . 1 1 64 64 ILE N N 64 117.020 117.020 116.632 0.388 19876 2375 1 4 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.859 -0.336 19876 2376 1 4 . 1 1 64 64 ILE C C 64 176.151 176.151 177.503 -1.352 19876 2377 1 4 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.561 -0.568 19876 2378 1 4 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.069 0.108 19876 2379 1 4 . 1 1 64 64 ILE H H 64 6.751 6.751 7.675 -0.924 19876 2380 1 4 . 1 1 65 65 LYS N N 65 120.165 120.165 118.633 1.532 19876 2381 1 4 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.035 -0.596 19876 2382 1 4 . 1 1 65 65 LYS C C 65 175.133 175.133 176.973 -1.840 19876 2383 1 4 . 1 1 65 65 LYS CA C 65 58.955 58.955 57.273 1.683 19876 2384 1 4 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.849 -0.892 19876 2385 1 4 . 1 1 65 65 LYS H H 65 7.058 7.058 7.656 -0.598 19876 2386 1 4 . 1 1 66 66 TYR N N 66 115.421 115.421 119.363 -3.942 19876 2387 1 4 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.822 0.066 19876 2388 1 4 . 1 1 66 66 TYR C C 66 173.061 173.061 174.199 -1.138 19876 2389 1 4 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.972 -1.443 19876 2390 1 4 . 1 1 66 66 TYR CB C 66 36.669 36.669 38.026 -1.357 19876 2391 1 4 . 1 1 66 66 TYR H H 66 7.784 7.784 8.242 -0.458 19876 2392 1 4 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.364 -0.007 19876 2393 1 4 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.851 -0.341 19876 2394 1 4 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.158 -0.253 19876 2395 1 4 . 1 1 68 68 ASP N N 68 117.110 117.110 117.240 -0.130 19876 2396 1 4 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.474 0.253 19876 2397 1 4 . 1 1 68 68 ASP C C 68 175.024 175.024 176.532 -1.508 19876 2398 1 4 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.255 -1.512 19876 2399 1 4 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.625 -0.131 19876 2400 1 4 . 1 1 68 68 ASP H H 68 8.548 8.548 8.682 -0.134 19876 2401 1 4 . 1 1 69 69 ASP N N 69 122.994 122.994 118.821 4.173 19876 2402 1 4 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.651 0.340 19876 2403 1 4 . 1 1 69 69 ASP C C 69 174.782 174.782 176.820 -2.038 19876 2404 1 4 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.597 0.718 19876 2405 1 4 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.711 -0.548 19876 2406 1 4 . 1 1 69 69 ASP H H 69 7.545 7.545 7.586 -0.041 19876 2407 1 4 . 1 1 70 70 GLY N N 70 107.712 107.712 109.452 -1.740 19876 2408 1 4 . 1 1 70 70 GLY C C 70 173.987 173.987 175.282 -1.295 19876 2409 1 4 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.590 -0.258 19876 2410 1 4 . 1 1 70 70 GLY H H 70 7.879 7.879 7.906 -0.027 19876 2411 1 4 . 1 1 71 71 ASP N N 71 119.785 119.785 121.707 -1.922 19876 2412 1 4 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.210 -0.015 19876 2413 1 4 . 1 1 71 71 ASP C C 71 177.114 177.114 177.926 -0.812 19876 2414 1 4 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.221 -0.169 19876 2415 1 4 . 1 1 71 71 ASP CB C 71 39.345 39.345 39.940 -0.595 19876 2416 1 4 . 1 1 71 71 ASP H H 71 8.447 8.447 8.002 0.445 19876 2417 1 4 . 1 1 72 72 LEU N N 72 119.776 119.776 120.786 -1.010 19876 2418 1 4 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.727 0.140 19876 2419 1 4 . 1 1 72 72 LEU C C 72 176.531 176.531 178.169 -1.638 19876 2420 1 4 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.995 -0.543 19876 2421 1 4 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.197 0.538 19876 2422 1 4 . 1 1 72 72 LEU H H 72 7.562 7.562 7.706 -0.144 19876 2423 1 4 . 1 1 73 73 SER N N 73 113.964 113.964 115.366 -1.402 19876 2424 1 4 . 1 1 73 73 SER HA H 73 3.605 3.605 4.003 -0.398 19876 2425 1 4 . 1 1 73 73 SER C C 73 174.610 174.610 176.376 -1.766 19876 2426 1 4 . 1 1 73 73 SER CA C 73 62.161 62.161 62.911 -0.750 19876 2427 1 4 . 1 1 73 73 SER CB C 73 62.158 62.158 62.744 -0.586 19876 2428 1 4 . 1 1 73 73 SER H H 73 8.050 8.050 7.736 0.314 19876 2429 1 4 . 1 1 74 74 GLU N N 74 119.742 119.742 122.113 -2.371 19876 2430 1 4 . 1 1 74 74 GLU HA H 74 4.071 4.071 3.953 0.118 19876 2431 1 4 . 1 1 74 74 GLU C C 74 178.089 178.089 178.922 -0.833 19876 2432 1 4 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.588 -0.486 19876 2433 1 4 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.715 -0.502 19876 2434 1 4 . 1 1 74 74 GLU H H 74 8.623 8.623 8.569 0.054 19876 2435 1 4 . 1 1 75 75 LEU N N 75 122.325 122.325 120.244 2.081 19876 2436 1 4 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.121 0.122 19876 2437 1 4 . 1 1 75 75 LEU C C 75 177.962 177.962 179.057 -1.095 19876 2438 1 4 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.389 -0.009 19876 2439 1 4 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.362 0.042 19876 2440 1 4 . 1 1 75 75 LEU H H 75 7.255 7.255 8.335 -1.080 19876 2441 1 4 . 1 1 76 76 VAL N N 76 119.514 119.514 120.543 -1.029 19876 2442 1 4 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.603 -0.016 19876 2443 1 4 . 1 1 76 76 VAL C C 76 176.909 176.909 178.441 -1.532 19876 2444 1 4 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.633 -0.373 19876 2445 1 4 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.376 -0.433 19876 2446 1 4 . 1 1 76 76 VAL H H 76 8.235 8.235 8.681 -0.446 19876 2447 1 4 . 1 1 77 77 GLU N N 77 118.692 118.692 119.725 -1.033 19876 2448 1 4 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.927 -0.188 19876 2449 1 4 . 1 1 77 77 GLU C C 77 177.692 177.692 178.947 -1.255 19876 2450 1 4 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.003 1.004 19876 2451 1 4 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.331 -0.174 19876 2452 1 4 . 1 1 77 77 GLU H H 77 8.204 8.204 8.857 -0.653 19876 2453 1 4 . 1 1 78 78 GLU N N 78 121.945 121.945 120.635 1.310 19876 2454 1 4 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.013 0.015 19876 2455 1 4 . 1 1 78 78 GLU C C 78 176.559 176.559 178.893 -2.334 19876 2456 1 4 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.641 -0.067 19876 2457 1 4 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.751 0.134 19876 2458 1 4 . 1 1 78 78 GLU H H 78 8.058 8.058 8.422 -0.364 19876 2459 1 4 . 1 1 79 79 TYR N N 79 119.945 119.945 120.558 -0.613 19876 2460 1 4 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.212 0.188 19876 2461 1 4 . 1 1 79 79 TYR C C 79 178.365 178.365 178.080 0.285 19876 2462 1 4 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.327 -0.226 19876 2463 1 4 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.292 0.346 19876 2464 1 4 . 1 1 79 79 TYR H H 79 8.347 8.347 8.606 -0.259 19876 2465 1 4 . 1 1 80 80 LEU N N 80 123.586 123.586 119.301 4.285 19876 2466 1 4 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.865 -0.216 19876 2467 1 4 . 1 1 80 80 LEU C C 80 177.594 177.594 179.296 -1.702 19876 2468 1 4 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.318 0.361 19876 2469 1 4 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.077 -0.435 19876 2470 1 4 . 1 1 80 80 LEU H H 80 9.113 9.113 8.437 0.676 19876 2471 1 4 . 1 1 81 81 ASP N N 81 121.522 121.522 119.930 1.592 19876 2472 1 4 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.269 0.137 19876 2473 1 4 . 1 1 81 81 ASP C C 81 178.021 178.021 178.400 -0.379 19876 2474 1 4 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.255 -0.566 19876 2475 1 4 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.864 -0.222 19876 2476 1 4 . 1 1 81 81 ASP H H 81 8.228 8.228 8.650 -0.422 19876 2477 1 4 . 1 1 82 82 ASP N N 82 120.931 120.931 120.268 0.663 19876 2478 1 4 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.421 0.001 19876 2479 1 4 . 1 1 82 82 ASP C C 82 178.342 178.342 179.091 -0.749 19876 2480 1 4 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.633 0.274 19876 2481 1 4 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.640 0.193 19876 2482 1 4 . 1 1 82 82 ASP H H 82 9.139 9.139 8.782 0.357 19876 2483 1 4 . 1 1 83 83 THR N N 83 118.686 118.686 117.126 1.560 19876 2484 1 4 . 1 1 83 83 THR HA H 83 3.415 3.415 3.457 -0.042 19876 2485 1 4 . 1 1 83 83 THR C C 83 173.663 173.663 176.426 -2.763 19876 2486 1 4 . 1 1 83 83 THR CA C 83 67.258 67.258 66.775 0.483 19876 2487 1 4 . 1 1 83 83 THR CB C 83 68.017 68.017 68.717 -0.700 19876 2488 1 4 . 1 1 83 83 THR H H 83 8.394 8.394 8.833 -0.439 19876 2489 1 4 . 1 1 84 84 TYR N N 84 122.004 122.004 123.376 -1.372 19876 2490 1 4 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.107 -0.364 19876 2491 1 4 . 1 1 84 84 TYR C C 84 177.983 177.983 177.658 0.325 19876 2492 1 4 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.608 -0.501 19876 2493 1 4 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.481 -0.030 19876 2494 1 4 . 1 1 84 84 TYR H H 84 8.561 8.561 8.921 -0.360 19876 2495 1 4 . 1 1 85 85 THR N N 85 116.249 116.249 116.275 -0.026 19876 2496 1 4 . 1 1 85 85 THR HA H 85 3.409 3.409 3.847 -0.438 19876 2497 1 4 . 1 1 85 85 THR C C 85 174.628 174.628 176.514 -1.886 19876 2498 1 4 . 1 1 85 85 THR CA C 85 66.483 66.483 67.043 -0.560 19876 2499 1 4 . 1 1 85 85 THR CB C 85 68.604 68.604 68.581 0.023 19876 2500 1 4 . 1 1 85 85 THR H H 85 8.749 8.749 8.902 -0.153 19876 2501 1 4 . 1 1 86 86 LEU N N 86 121.835 121.835 122.350 -0.515 19876 2502 1 4 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.758 -0.203 19876 2503 1 4 . 1 1 86 86 LEU C C 86 176.057 176.057 178.892 -2.835 19876 2504 1 4 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.671 0.335 19876 2505 1 4 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.398 1.375 19876 2506 1 4 . 1 1 86 86 LEU H H 86 7.257 7.257 8.428 -1.171 19876 2507 1 4 . 1 1 87 87 PHE N N 87 111.264 111.264 115.555 -4.291 19876 2508 1 4 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.120 -0.143 19876 2509 1 4 . 1 1 87 87 PHE C C 87 174.687 174.687 177.699 -3.012 19876 2510 1 4 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.067 0.673 19876 2511 1 4 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.794 0.637 19876 2512 1 4 . 1 1 87 87 PHE H H 87 7.168 7.168 7.945 -0.777 19876 2513 1 4 . 1 1 88 88 SER N N 88 112.848 112.848 113.954 -1.106 19876 2514 1 4 . 1 1 88 88 SER HA H 88 4.207 4.207 4.029 0.178 19876 2515 1 4 . 1 1 88 88 SER C C 88 172.760 172.760 174.263 -1.503 19876 2516 1 4 . 1 1 88 88 SER CA C 88 58.725 58.725 60.308 -1.583 19876 2517 1 4 . 1 1 88 88 SER CB C 88 63.342 63.342 63.256 0.086 19876 2518 1 4 . 1 1 88 88 SER H H 88 7.290 7.290 7.813 -0.523 19876 2519 1 4 . 1 1 89 89 SER N N 89 116.554 116.554 118.430 -1.876 19876 2520 1 4 . 1 1 89 89 SER HA H 89 4.347 4.347 4.451 -0.104 19876 2521 1 4 . 1 1 89 89 SER C C 89 172.251 172.251 174.303 -2.052 19876 2522 1 4 . 1 1 89 89 SER CA C 89 57.597 57.597 57.631 -0.034 19876 2523 1 4 . 1 1 89 89 SER CB C 89 64.426 64.426 63.361 1.065 19876 2524 1 4 . 1 1 89 89 SER H H 89 7.064 7.064 7.531 -0.467 19876 2525 1 4 . 1 1 90 90 TYR N N 90 122.348 122.348 124.906 -2.558 19876 2526 1 4 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.185 0.158 19876 2527 1 4 . 1 1 90 90 TYR C C 90 175.043 175.043 176.703 -1.660 19876 2528 1 4 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.568 -2.596 19876 2529 1 4 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.876 -1.250 19876 2530 1 4 . 1 1 90 90 TYR H H 90 8.446 8.446 8.290 0.156 19876 2531 1 4 . 1 1 91 91 GLY N N 91 111.349 111.349 103.034 8.315 19876 2532 1 4 . 1 1 91 91 GLY C C 91 170.874 170.874 173.441 -2.567 19876 2533 1 4 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.443 1.291 19876 2534 1 4 . 1 1 91 91 GLY H H 91 7.820 7.820 7.997 -0.177 19876 2535 1 4 . 1 1 92 92 ILE N N 92 121.703 121.703 122.191 -0.488 19876 2536 1 4 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.887 -0.009 19876 2537 1 4 . 1 1 92 92 ILE C C 92 173.956 173.956 175.478 -1.522 19876 2538 1 4 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.964 -0.837 19876 2539 1 4 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.547 0.895 19876 2540 1 4 . 1 1 92 92 ILE H H 92 8.032 8.032 8.338 -0.306 19876 2541 1 4 . 1 1 93 93 ASN N N 93 125.791 125.791 123.054 2.737 19876 2542 1 4 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.805 0.109 19876 2543 1 4 . 1 1 93 93 ASN C C 93 173.468 173.468 175.191 -1.723 19876 2544 1 4 . 1 1 93 93 ASN CA C 93 51.442 51.442 51.463 -0.021 19876 2545 1 4 . 1 1 93 93 ASN CB C 93 40.147 40.147 41.440 -1.293 19876 2546 1 4 . 1 1 93 93 ASN H H 93 8.423 8.423 7.901 0.522 19876 2547 1 4 . 1 1 94 94 ASP N N 94 122.019 122.019 122.095 -0.076 19876 2548 1 4 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.383 0.108 19876 2549 1 4 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.046 0.072 19876 2550 1 4 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.740 -0.452 19876 2551 1 4 . 1 1 94 94 ASP H H 94 8.710 8.710 8.977 -0.267 19876 2552 1 4 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.131 0.023 19876 2553 1 4 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.976 0.578 19876 2554 1 4 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.307 -0.558 19876 2555 1 4 . 1 1 96 96 GLU N N 96 117.965 117.965 117.969 -0.004 19876 2556 1 4 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.123 -0.262 19876 2557 1 4 . 1 1 96 96 GLU C C 96 177.730 177.730 179.155 -1.425 19876 2558 1 4 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.174 0.708 19876 2559 1 4 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.867 -0.030 19876 2560 1 4 . 1 1 96 96 GLU H H 96 7.954 7.954 8.007 -0.053 19876 2561 1 4 . 1 1 97 97 LEU N N 97 124.427 124.427 121.494 2.933 19876 2562 1 4 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.915 0.194 19876 2563 1 4 . 1 1 97 97 LEU C C 97 177.211 177.211 178.842 -1.631 19876 2564 1 4 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.339 -0.288 19876 2565 1 4 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.698 0.073 19876 2566 1 4 . 1 1 97 97 LEU H H 97 7.825 7.825 8.075 -0.250 19876 2567 1 4 . 1 1 98 98 GLN N N 98 117.195 117.195 117.473 -0.278 19876 2568 1 4 . 1 1 98 98 GLN HA H 98 3.990 3.990 3.966 0.024 19876 2569 1 4 . 1 1 98 98 GLN C C 98 177.762 177.762 178.813 -1.051 19876 2570 1 4 . 1 1 98 98 GLN CA C 98 58.623 58.623 59.042 -0.419 19876 2571 1 4 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.971 0.030 19876 2572 1 4 . 1 1 98 98 GLN H H 98 8.481 8.481 8.800 -0.319 19876 2573 1 4 . 1 1 99 99 ARG N N 99 119.687 119.687 120.434 -0.747 19876 2574 1 4 . 1 1 99 99 ARG HA H 99 3.922 3.922 3.982 -0.060 19876 2575 1 4 . 1 1 99 99 ARG C C 99 176.055 176.055 178.424 -2.369 19876 2576 1 4 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.680 -0.067 19876 2577 1 4 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.103 0.219 19876 2578 1 4 . 1 1 99 99 ARG H H 99 7.836 7.836 7.498 0.338 19876 2579 1 4 . 1 1 100 100 TRP N N 100 119.762 119.762 121.855 -2.093 19876 2580 1 4 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.472 -0.243 19876 2581 1 4 . 1 1 100 100 TRP C C 100 176.004 176.004 178.737 -2.733 19876 2582 1 4 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.729 0.276 19876 2583 1 4 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.006 -0.058 19876 2584 1 4 . 1 1 100 100 TRP H H 100 7.731 7.731 8.705 -0.974 19876 2585 1 4 . 1 1 101 101 GLN N N 101 115.464 115.464 117.075 -1.611 19876 2586 1 4 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.700 -0.215 19876 2587 1 4 . 1 1 101 101 GLN C C 101 177.498 177.498 178.556 -1.058 19876 2588 1 4 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.539 -0.375 19876 2589 1 4 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.245 -0.163 19876 2590 1 4 . 1 1 101 101 GLN H H 101 8.277 8.277 8.890 -0.613 19876 2591 1 4 . 1 1 102 102 LYS N N 102 119.856 119.856 118.866 0.990 19876 2592 1 4 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.003 -0.091 19876 2593 1 4 . 1 1 102 102 LYS C C 102 178.364 178.364 179.221 -0.857 19876 2594 1 4 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.542 -0.363 19876 2595 1 4 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.228 -0.403 19876 2596 1 4 . 1 1 102 102 LYS H H 102 8.047 8.047 8.226 -0.179 19876 2597 1 4 . 1 1 103 103 THR N N 103 121.217 121.217 116.739 4.478 19876 2598 1 4 . 1 1 103 103 THR HA H 103 3.658 3.658 3.854 -0.196 19876 2599 1 4 . 1 1 103 103 THR C C 103 174.266 174.266 176.265 -1.999 19876 2600 1 4 . 1 1 103 103 THR CA C 103 66.206 66.206 66.773 -0.567 19876 2601 1 4 . 1 1 103 103 THR CB C 103 67.515 67.515 68.319 -0.804 19876 2602 1 4 . 1 1 103 103 THR H H 103 8.816 8.816 8.570 0.246 19876 2603 1 4 . 1 1 104 104 LYS N N 104 122.265 122.265 120.582 1.683 19876 2604 1 4 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.000 0.051 19876 2605 1 4 . 1 1 104 104 LYS C C 104 176.952 176.952 178.606 -1.654 19876 2606 1 4 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.907 1.613 19876 2607 1 4 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.889 -0.549 19876 2608 1 4 . 1 1 104 104 LYS H H 104 8.258 8.258 8.065 0.193 19876 2609 1 4 . 1 1 105 105 GLU N N 105 118.912 118.912 119.517 -0.605 19876 2610 1 4 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.910 -0.312 19876 2611 1 4 . 1 1 105 105 GLU C C 105 178.038 178.038 179.258 -1.220 19876 2612 1 4 . 1 1 105 105 GLU CA C 105 59.518 59.518 58.990 0.528 19876 2613 1 4 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.995 0.037 19876 2614 1 4 . 1 1 105 105 GLU H H 105 7.963 7.963 7.409 0.554 19876 2615 1 4 . 1 1 106 106 ARG N N 106 120.201 120.201 118.774 1.427 19876 2616 1 4 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.906 -0.210 19876 2617 1 4 . 1 1 106 106 ARG C C 106 177.744 177.744 178.912 -1.168 19876 2618 1 4 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.434 0.561 19876 2619 1 4 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.017 0.771 19876 2620 1 4 . 1 1 106 106 ARG H H 106 7.940 7.940 8.363 -0.423 19876 2621 1 4 . 1 1 107 107 LEU N N 107 120.982 120.982 121.092 -0.110 19876 2622 1 4 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.986 -0.241 19876 2623 1 4 . 1 1 107 107 LEU C C 107 176.173 176.173 178.642 -2.469 19876 2624 1 4 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.230 -0.793 19876 2625 1 4 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.911 -1.042 19876 2626 1 4 . 1 1 107 107 LEU H H 107 8.242 8.242 8.391 -0.149 19876 2627 1 4 . 1 1 108 108 PHE N N 108 117.793 117.793 116.831 0.962 19876 2628 1 4 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.395 -0.393 19876 2629 1 4 . 1 1 108 108 PHE C C 108 177.654 177.654 177.491 0.163 19876 2630 1 4 . 1 1 108 108 PHE CA C 108 61.189 61.189 60.926 0.263 19876 2631 1 4 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.252 -1.468 19876 2632 1 4 . 1 1 108 108 PHE H H 108 8.772 8.772 8.851 -0.079 19876 2633 1 4 . 1 1 109 109 ARG N N 109 121.726 121.726 119.553 2.173 19876 2634 1 4 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.096 -0.090 19876 2635 1 4 . 1 1 109 109 ARG C C 109 177.785 177.785 179.179 -1.394 19876 2636 1 4 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.031 1.312 19876 2637 1 4 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.701 0.097 19876 2638 1 4 . 1 1 109 109 ARG H H 109 7.865 7.865 7.746 0.119 19876 2639 1 4 . 1 1 110 110 LEU N N 110 121.486 121.486 121.179 0.307 19876 2640 1 4 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.028 0.066 19876 2641 1 4 . 1 1 110 110 LEU C C 110 178.537 178.537 178.637 -0.100 19876 2642 1 4 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.536 -0.695 19876 2643 1 4 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.712 -0.891 19876 2644 1 4 . 1 1 110 110 LEU H H 110 7.338 7.338 7.947 -0.609 19876 2645 1 4 . 1 1 111 111 PHE N N 111 115.883 115.883 114.909 0.974 19876 2646 1 4 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.256 0.060 19876 2647 1 4 . 1 1 111 111 PHE C C 111 175.369 175.369 176.897 -1.528 19876 2648 1 4 . 1 1 111 111 PHE CA C 111 59.079 59.079 59.436 -0.357 19876 2649 1 4 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.239 0.272 19876 2650 1 4 . 1 1 111 111 PHE H H 111 7.584 7.584 8.161 -0.577 19876 2651 1 4 . 1 1 112 112 SER N N 112 111.693 111.693 113.268 -1.575 19876 2652 1 4 . 1 1 112 112 SER HA H 112 4.329 4.329 4.380 -0.051 19876 2653 1 4 . 1 1 112 112 SER C C 112 173.353 173.353 175.467 -2.114 19876 2654 1 4 . 1 1 112 112 SER CA C 112 59.050 59.050 59.838 -0.788 19876 2655 1 4 . 1 1 112 112 SER CB C 112 63.841 63.841 63.894 -0.053 19876 2656 1 4 . 1 1 112 112 SER H H 112 7.554 7.554 8.119 -0.565 19876 2657 1 4 . 1 1 113 113 GLY N N 113 109.665 109.665 107.657 2.008 19876 2658 1 4 . 1 1 113 113 GLY C C 113 173.407 173.407 175.934 -2.527 19876 2659 1 4 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.073 0.301 19876 2660 1 4 . 1 1 113 113 GLY H H 113 7.781 7.781 7.542 0.239 19876 2661 1 4 . 1 1 114 114 GLU N N 114 121.028 121.028 123.561 -2.533 19876 2662 1 4 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.699 0.303 19876 2663 1 4 . 1 1 114 114 GLU C C 114 175.971 175.971 177.748 -1.777 19876 2664 1 4 . 1 1 114 114 GLU CA C 114 58.310 58.310 59.062 -0.752 19876 2665 1 4 . 1 1 114 114 GLU CB C 114 30.164 30.164 28.754 1.410 19876 2666 1 4 . 1 1 114 114 GLU H H 114 8.414 8.414 8.104 0.310 19876 2667 1 4 . 1 1 115 115 TYR N N 115 118.828 118.828 115.443 3.385 19876 2668 1 4 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.595 -0.283 19876 2669 1 4 . 1 1 115 115 TYR C C 115 175.248 175.248 178.309 -3.061 19876 2670 1 4 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.654 0.080 19876 2671 1 4 . 1 1 115 115 TYR CB C 115 38.371 38.371 39.246 -0.875 19876 2672 1 4 . 1 1 115 115 TYR H H 115 7.939 7.939 7.063 0.876 19876 2673 1 4 . 1 1 116 116 ILE N N 116 120.412 120.412 120.179 0.233 19876 2674 1 4 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.504 0.239 19876 2675 1 4 . 1 1 116 116 ILE C C 116 175.591 175.591 177.885 -2.294 19876 2676 1 4 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.947 -1.810 19876 2677 1 4 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.281 0.946 19876 2678 1 4 . 1 1 116 116 ILE H H 116 7.892 7.892 7.654 0.238 19876 2679 1 4 . 1 1 117 117 SER N N 117 117.142 117.142 112.653 4.489 19876 2680 1 4 . 1 1 117 117 SER HA H 117 4.141 4.141 4.192 -0.051 19876 2681 1 4 . 1 1 117 117 SER C C 117 174.795 174.795 175.684 -0.889 19876 2682 1 4 . 1 1 117 117 SER CA C 117 60.437 60.437 61.064 -0.627 19876 2683 1 4 . 1 1 117 117 SER CB C 117 62.987 62.987 63.179 -0.192 19876 2684 1 4 . 1 1 117 117 SER H H 117 8.127 8.127 8.040 0.087 19876 2685 1 4 . 1 1 118 118 THR N N 118 115.779 115.779 113.931 1.848 19876 2686 1 4 . 1 1 118 118 THR HA H 118 3.987 3.987 4.302 -0.315 19876 2687 1 4 . 1 1 118 118 THR C C 118 174.025 174.025 175.434 -1.409 19876 2688 1 4 . 1 1 118 118 THR CA C 118 64.026 64.026 64.059 -0.034 19876 2689 1 4 . 1 1 118 118 THR CB C 118 68.953 68.953 69.343 -0.390 19876 2690 1 4 . 1 1 118 118 THR H H 118 7.872 7.872 7.571 0.301 19876 2691 1 4 . 1 1 119 119 LEU N N 119 122.845 122.845 122.582 0.263 19876 2692 1 4 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.952 0.096 19876 2693 1 4 . 1 1 119 119 LEU C C 119 176.246 176.246 175.445 0.801 19876 2694 1 4 . 1 1 119 119 LEU CA C 119 56.081 56.081 58.006 -1.925 19876 2695 1 4 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.859 -0.654 19876 2696 1 4 . 1 1 119 119 LEU H H 119 7.679 7.679 8.027 -0.348 19876 2697 1 4 . 1 1 120 120 MET N N 120 117.447 117.447 111.794 5.653 19876 2698 1 4 . 1 1 120 120 MET HA H 120 4.243 4.243 4.841 -0.598 19876 2699 1 4 . 1 1 120 120 MET C C 120 174.594 174.594 175.165 -0.571 19876 2700 1 4 . 1 1 120 120 MET CA C 120 55.470 55.470 54.565 0.905 19876 2701 1 4 . 1 1 120 120 MET CB C 120 32.606 32.606 34.919 -2.312 19876 2702 1 4 . 1 1 120 120 MET H H 120 7.812 7.812 8.029 -0.217 19876 2703 1 4 . 1 1 121 121 LYS N N 121 121.578 121.578 120.503 1.075 19876 2704 1 4 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.637 -0.402 19876 2705 1 4 . 1 1 121 121 LYS C C 121 174.539 174.539 177.444 -2.905 19876 2706 1 4 . 1 1 121 121 LYS CA C 121 56.481 56.481 55.169 1.312 19876 2707 1 4 . 1 1 121 121 LYS CB C 121 32.966 32.966 34.034 -1.068 19876 2708 1 4 . 1 1 121 121 LYS H H 121 7.790 7.790 8.453 -0.663 19876 2709 1 5 . 1 1 2 2 ASP N N 2 122.949 122.949 124.064 -1.115 19876 2710 1 5 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.614 -0.170 19876 2711 1 5 . 1 1 2 2 ASP C C 2 174.891 174.891 175.071 -0.180 19876 2712 1 5 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.998 -0.376 19876 2713 1 5 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.090 0.229 19876 2714 1 5 . 1 1 2 2 ASP H H 2 8.386 8.386 8.565 -0.179 19876 2715 1 5 . 1 1 3 3 GLU N N 3 119.296 119.296 122.479 -3.183 19876 2716 1 5 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.312 -0.448 19876 2717 1 5 . 1 1 3 3 GLU C C 3 175.006 175.006 175.225 -0.219 19876 2718 1 5 . 1 1 3 3 GLU CA C 3 58.073 58.073 54.747 3.326 19876 2719 1 5 . 1 1 3 3 GLU CB C 3 29.567 29.567 27.946 1.621 19876 2720 1 5 . 1 1 3 3 GLU H H 3 8.601 8.601 7.998 0.603 19876 2721 1 5 . 1 1 4 4 TYR N N 4 118.038 118.038 119.960 -1.922 19876 2722 1 5 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.001 0.452 19876 2723 1 5 . 1 1 4 4 TYR C C 4 174.761 174.761 177.585 -2.824 19876 2724 1 5 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.102 -2.529 19876 2725 1 5 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.172 0.823 19876 2726 1 5 . 1 1 4 4 TYR H H 4 8.049 8.049 7.722 0.327 19876 2727 1 5 . 1 1 5 5 SER N N 5 118.519 118.519 113.586 4.933 19876 2728 1 5 . 1 1 5 5 SER HA H 5 4.444 4.444 4.450 -0.006 19876 2729 1 5 . 1 1 5 5 SER C C 5 171.907 171.907 173.115 -1.208 19876 2730 1 5 . 1 1 5 5 SER CA C 5 57.173 57.173 60.132 -2.959 19876 2731 1 5 . 1 1 5 5 SER CB C 5 62.104 62.104 61.687 0.417 19876 2732 1 5 . 1 1 5 5 SER H H 5 7.759 7.759 8.351 -0.592 19876 2733 1 5 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.470 -0.026 19876 2734 1 5 . 1 1 6 6 PRO CA C 6 63.597 63.597 63.344 0.252 19876 2735 1 5 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.160 -0.112 19876 2736 1 5 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.006 -0.218 19876 2737 1 5 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.063 0.437 19876 2738 1 5 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.317 0.264 19876 2739 1 5 . 1 1 9 9 HIS N N 9 118.064 118.064 119.017 -0.953 19876 2740 1 5 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.594 -0.312 19876 2741 1 5 . 1 1 9 9 HIS C C 9 176.264 176.264 177.163 -0.899 19876 2742 1 5 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.911 -0.868 19876 2743 1 5 . 1 1 9 9 HIS CB C 9 30.389 30.389 30.328 0.061 19876 2744 1 5 . 1 1 9 9 HIS H H 9 7.291 7.291 8.410 -1.119 19876 2745 1 5 . 1 1 10 10 ASP N N 10 122.089 122.089 121.674 0.415 19876 2746 1 5 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.692 -0.109 19876 2747 1 5 . 1 1 10 10 ASP C C 10 177.261 177.261 178.951 -1.690 19876 2748 1 5 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.207 -0.335 19876 2749 1 5 . 1 1 10 10 ASP CB C 10 40.569 40.569 41.273 -0.704 19876 2750 1 5 . 1 1 10 10 ASP H H 10 8.221 8.221 8.838 -0.617 19876 2751 1 5 . 1 1 11 11 VAL N N 11 119.318 119.318 120.587 -1.269 19876 2752 1 5 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.166 -0.679 19876 2753 1 5 . 1 1 11 11 VAL C C 11 175.661 175.661 178.017 -2.356 19876 2754 1 5 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.584 0.295 19876 2755 1 5 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.264 0.163 19876 2756 1 5 . 1 1 11 11 VAL H H 11 8.850 8.850 8.758 0.092 19876 2757 1 5 . 1 1 12 12 ALA N N 12 121.749 121.749 122.614 -0.865 19876 2758 1 5 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.937 -0.168 19876 2759 1 5 . 1 1 12 12 ALA C C 12 179.484 179.484 179.736 -0.252 19876 2760 1 5 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.590 -0.322 19876 2761 1 5 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.010 -0.268 19876 2762 1 5 . 1 1 12 12 ALA H H 12 7.676 7.676 7.677 -0.001 19876 2763 1 5 . 1 1 13 13 GLN N N 13 119.544 119.544 118.760 0.784 19876 2764 1 5 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.105 -0.098 19876 2765 1 5 . 1 1 13 13 GLN C C 13 176.075 176.075 178.716 -2.641 19876 2766 1 5 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.301 -1.069 19876 2767 1 5 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.335 -0.585 19876 2768 1 5 . 1 1 13 13 GLN H H 13 8.151 8.151 8.819 -0.668 19876 2769 1 5 . 1 1 14 14 LEU N N 14 121.127 121.127 120.448 0.679 19876 2770 1 5 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.211 -0.655 19876 2771 1 5 . 1 1 14 14 LEU C C 14 176.935 176.935 178.777 -1.842 19876 2772 1 5 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.343 -0.619 19876 2773 1 5 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.409 0.278 19876 2774 1 5 . 1 1 14 14 LEU H H 14 7.889 7.889 8.773 -0.884 19876 2775 1 5 . 1 1 15 15 LYS N N 15 120.458 120.458 119.694 0.764 19876 2776 1 5 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.071 -0.409 19876 2777 1 5 . 1 1 15 15 LYS C C 15 176.022 176.022 178.489 -2.467 19876 2778 1 5 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.994 1.044 19876 2779 1 5 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.496 0.715 19876 2780 1 5 . 1 1 15 15 LYS H H 15 8.174 8.174 8.747 -0.573 19876 2781 1 5 . 1 1 16 16 PHE N N 16 119.257 119.257 122.199 -2.942 19876 2782 1 5 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.101 0.086 19876 2783 1 5 . 1 1 16 16 PHE C C 16 177.917 177.917 177.468 0.449 19876 2784 1 5 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.278 -0.948 19876 2785 1 5 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.980 -0.486 19876 2786 1 5 . 1 1 16 16 PHE H H 16 7.855 7.855 8.712 -0.857 19876 2787 1 5 . 1 1 17 17 LEU N N 17 121.489 121.489 119.777 1.712 19876 2788 1 5 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.564 0.034 19876 2789 1 5 . 1 1 17 17 LEU C C 17 177.988 177.988 179.141 -1.153 19876 2790 1 5 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.491 -0.529 19876 2791 1 5 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.420 1.278 19876 2792 1 5 . 1 1 17 17 LEU H H 17 8.560 8.560 8.734 -0.174 19876 2793 1 5 . 1 1 18 18 CYS N N 18 116.216 116.216 118.913 -2.697 19876 2794 1 5 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.142 0.093 19876 2795 1 5 . 1 1 18 18 CYS C C 18 176.987 176.987 177.222 -0.235 19876 2796 1 5 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.272 2.302 19876 2797 1 5 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.752 1.552 19876 2798 1 5 . 1 1 18 18 CYS H H 18 8.194 8.194 8.636 -0.442 19876 2799 1 5 . 1 1 19 19 GLU N N 19 123.947 123.947 120.657 3.290 19876 2800 1 5 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.250 -0.365 19876 2801 1 5 . 1 1 19 19 GLU C C 19 176.436 176.436 179.315 -2.879 19876 2802 1 5 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.974 -0.088 19876 2803 1 5 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.337 -0.056 19876 2804 1 5 . 1 1 19 19 GLU H H 19 8.842 8.842 8.950 -0.108 19876 2805 1 5 . 1 1 20 20 SER N N 20 116.500 116.500 115.716 0.784 19876 2806 1 5 . 1 1 20 20 SER HA H 20 4.056 4.056 4.176 -0.120 19876 2807 1 5 . 1 1 20 20 SER C C 20 174.835 174.835 176.414 -1.579 19876 2808 1 5 . 1 1 20 20 SER CA C 20 61.729 61.729 61.583 0.146 19876 2809 1 5 . 1 1 20 20 SER CB C 20 62.360 62.360 62.515 -0.155 19876 2810 1 5 . 1 1 20 20 SER H H 20 8.198 8.198 8.465 -0.267 19876 2811 1 5 . 1 1 21 21 LEU N N 21 121.186 121.186 124.342 -3.156 19876 2812 1 5 . 1 1 21 21 LEU HA H 21 3.911 3.911 3.983 -0.072 19876 2813 1 5 . 1 1 21 21 LEU C C 21 175.905 175.905 178.229 -2.324 19876 2814 1 5 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.768 -0.815 19876 2815 1 5 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.023 -0.414 19876 2816 1 5 . 1 1 21 21 LEU H H 21 7.970 7.970 8.462 -0.492 19876 2817 1 5 . 1 1 22 22 TYR N N 22 119.690 119.690 120.738 -1.048 19876 2818 1 5 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.507 -0.189 19876 2819 1 5 . 1 1 22 22 TYR C C 22 175.453 175.453 177.937 -2.484 19876 2820 1 5 . 1 1 22 22 TYR CA C 22 62.240 62.240 59.362 2.877 19876 2821 1 5 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.698 -0.555 19876 2822 1 5 . 1 1 22 22 TYR H H 22 7.473 7.473 9.323 -1.850 19876 2823 1 5 . 1 1 23 23 ASP N N 23 118.291 118.291 118.824 -0.533 19876 2824 1 5 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.187 -0.140 19876 2825 1 5 . 1 1 23 23 ASP C C 23 178.796 178.796 178.523 0.273 19876 2826 1 5 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.764 -0.480 19876 2827 1 5 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.834 -0.951 19876 2828 1 5 . 1 1 23 23 ASP H H 23 8.249 8.249 8.065 0.184 19876 2829 1 5 . 1 1 24 24 GLU N N 24 120.605 120.605 119.707 0.898 19876 2830 1 5 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.929 0.002 19876 2831 1 5 . 1 1 24 24 GLU C C 24 178.457 178.457 179.539 -1.082 19876 2832 1 5 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.434 -0.873 19876 2833 1 5 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.249 -0.327 19876 2834 1 5 . 1 1 24 24 GLU H H 24 8.347 8.347 8.744 -0.397 19876 2835 1 5 . 1 1 25 25 GLY N N 25 111.777 111.777 109.036 2.741 19876 2836 1 5 . 1 1 25 25 GLY C C 25 173.906 173.906 176.410 -2.504 19876 2837 1 5 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.401 0.067 19876 2838 1 5 . 1 1 25 25 GLY H H 25 8.701 8.701 9.036 -0.335 19876 2839 1 5 . 1 1 26 26 ILE N N 26 122.263 122.263 123.695 -1.432 19876 2840 1 5 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.818 -0.061 19876 2841 1 5 . 1 1 26 26 ILE C C 26 178.116 178.116 178.349 -0.233 19876 2842 1 5 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.802 -1.571 19876 2843 1 5 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.946 -1.258 19876 2844 1 5 . 1 1 26 26 ILE H H 26 8.717 8.717 8.593 0.124 19876 2845 1 5 . 1 1 27 27 ALA N N 27 122.092 122.092 121.951 0.141 19876 2846 1 5 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.986 -0.026 19876 2847 1 5 . 1 1 27 27 ALA C C 27 178.428 178.428 178.556 -0.128 19876 2848 1 5 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.093 -0.600 19876 2849 1 5 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.565 -0.515 19876 2850 1 5 . 1 1 27 27 ALA H H 27 7.672 7.672 8.649 -0.977 19876 2851 1 5 . 1 1 28 28 THR N N 28 115.031 115.031 113.017 2.014 19876 2852 1 5 . 1 1 28 28 THR HA H 28 3.734 3.734 4.230 -0.496 19876 2853 1 5 . 1 1 28 28 THR C C 28 174.403 174.403 176.731 -2.328 19876 2854 1 5 . 1 1 28 28 THR CA C 28 65.750 65.750 65.820 -0.070 19876 2855 1 5 . 1 1 28 28 THR CB C 28 68.530 68.530 69.254 -0.724 19876 2856 1 5 . 1 1 28 28 THR H H 28 7.554 7.554 7.698 -0.144 19876 2857 1 5 . 1 1 29 29 LEU N N 29 121.356 121.356 120.945 0.411 19876 2858 1 5 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.136 -0.326 19876 2859 1 5 . 1 1 29 29 LEU C C 29 176.694 176.694 178.631 -1.937 19876 2860 1 5 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.856 -0.362 19876 2861 1 5 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.659 0.520 19876 2862 1 5 . 1 1 29 29 LEU H H 29 7.580 7.580 8.781 -1.201 19876 2863 1 5 . 1 1 30 30 GLY CA C 30 44.903 44.903 45.142 -0.239 19876 2864 1 5 . 1 1 31 31 ASP N N 31 119.983 119.983 120.911 -0.928 19876 2865 1 5 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.368 0.195 19876 2866 1 5 . 1 1 31 31 ASP C C 31 175.609 175.609 176.342 -0.733 19876 2867 1 5 . 1 1 31 31 ASP CA C 31 53.883 53.883 54.672 -0.789 19876 2868 1 5 . 1 1 31 31 ASP CB C 31 41.558 41.558 42.107 -0.549 19876 2869 1 5 . 1 1 31 31 ASP H H 31 8.017 8.017 7.544 0.473 19876 2870 1 5 . 1 1 32 32 SER N N 32 118.027 118.027 116.608 1.419 19876 2871 1 5 . 1 1 32 32 SER HA H 32 4.191 4.191 4.468 -0.277 19876 2872 1 5 . 1 1 32 32 SER C C 32 178.747 178.747 175.063 3.684 19876 2873 1 5 . 1 1 32 32 SER CA C 32 59.247 59.247 58.348 0.899 19876 2874 1 5 . 1 1 32 32 SER CB C 32 63.224 63.224 60.930 2.294 19876 2875 1 5 . 1 1 32 32 SER H H 32 8.284 8.284 8.485 -0.201 19876 2876 1 5 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.219 0.126 19876 2877 1 5 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.189 -2.160 19876 2878 1 5 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.517 0.042 19876 2879 1 5 . 1 1 34 34 HIS N N 34 117.885 117.885 116.868 1.017 19876 2880 1 5 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.493 -0.009 19876 2881 1 5 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.659 -0.712 19876 2882 1 5 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.146 -0.379 19876 2883 1 5 . 1 1 34 34 HIS H H 34 7.896 7.896 8.482 -0.586 19876 2884 1 5 . 1 1 35 35 GLY N N 35 108.681 108.681 107.029 1.652 19876 2885 1 5 . 1 1 35 35 GLY C C 35 172.466 172.466 174.045 -1.579 19876 2886 1 5 . 1 1 35 35 GLY CA C 35 45.299 45.299 44.668 0.631 19876 2887 1 5 . 1 1 35 35 GLY H H 35 7.864 7.864 8.172 -0.308 19876 2888 1 5 . 1 1 36 36 TRP N N 36 120.973 120.973 120.022 0.951 19876 2889 1 5 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.661 -0.167 19876 2890 1 5 . 1 1 36 36 TRP C C 36 174.594 174.594 176.537 -1.943 19876 2891 1 5 . 1 1 36 36 TRP CA C 36 57.866 57.866 57.280 0.586 19876 2892 1 5 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.271 -0.684 19876 2893 1 5 . 1 1 36 36 TRP H H 36 7.809 7.809 7.620 0.189 19876 2894 1 5 . 1 1 37 37 VAL N N 37 122.778 122.778 115.422 7.356 19876 2895 1 5 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.155 -0.368 19876 2896 1 5 . 1 1 37 37 VAL C C 37 173.396 173.396 174.776 -1.380 19876 2897 1 5 . 1 1 37 37 VAL CA C 37 61.284 61.284 62.029 -0.745 19876 2898 1 5 . 1 1 37 37 VAL CB C 37 33.534 33.534 32.404 1.130 19876 2899 1 5 . 1 1 37 37 VAL H H 37 7.712 7.712 8.197 -0.485 19876 2900 1 5 . 1 1 38 38 ASN N N 38 121.869 121.869 121.309 0.560 19876 2901 1 5 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.922 -0.687 19876 2902 1 5 . 1 1 38 38 ASN C C 38 172.186 172.186 174.168 -1.982 19876 2903 1 5 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.390 1.680 19876 2904 1 5 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.378 0.251 19876 2905 1 5 . 1 1 38 38 ASN H H 38 7.768 7.768 8.915 -1.147 19876 2906 1 5 . 1 1 39 39 ASP N N 39 123.332 123.332 123.950 -0.618 19876 2907 1 5 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.638 0.221 19876 2908 1 5 . 1 1 39 39 ASP C C 39 173.301 173.301 175.654 -2.353 19876 2909 1 5 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.378 -2.518 19876 2910 1 5 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.569 0.139 19876 2911 1 5 . 1 1 39 39 ASP H H 39 8.300 8.300 8.734 -0.434 19876 2912 1 5 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.311 -0.155 19876 2913 1 5 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.099 -0.165 19876 2914 1 5 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.081 0.811 19876 2915 1 5 . 1 1 41 41 THR N N 41 107.824 107.824 108.979 -1.155 19876 2916 1 5 . 1 1 41 41 THR HA H 41 4.191 4.191 4.196 -0.005 19876 2917 1 5 . 1 1 41 41 THR C C 41 173.405 173.405 174.815 -1.410 19876 2918 1 5 . 1 1 41 41 THR CA C 41 61.283 61.283 62.281 -0.998 19876 2919 1 5 . 1 1 41 41 THR CB C 41 69.351 69.351 69.126 0.225 19876 2920 1 5 . 1 1 41 41 THR H H 41 7.923 7.923 7.812 0.111 19876 2921 1 5 . 1 1 42 42 SER N N 42 118.745 118.745 118.729 0.016 19876 2922 1 5 . 1 1 42 42 SER HA H 42 4.187 4.187 4.141 0.046 19876 2923 1 5 . 1 1 42 42 SER C C 42 172.750 172.750 175.779 -3.029 19876 2924 1 5 . 1 1 42 42 SER CA C 42 58.320 58.320 58.970 -0.650 19876 2925 1 5 . 1 1 42 42 SER CB C 42 64.569 64.569 63.858 0.712 19876 2926 1 5 . 1 1 42 42 SER H H 42 7.705 7.705 7.525 0.180 19876 2927 1 5 . 1 1 43 43 ALA N N 43 124.591 124.591 128.165 -3.574 19876 2928 1 5 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.920 0.040 19876 2929 1 5 . 1 1 43 43 ALA C C 43 178.795 178.795 179.316 -0.521 19876 2930 1 5 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.438 -0.302 19876 2931 1 5 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.517 -0.373 19876 2932 1 5 . 1 1 43 43 ALA H H 43 8.540 8.540 8.901 -0.361 19876 2933 1 5 . 1 1 44 44 VAL N N 44 115.734 115.734 115.782 -0.048 19876 2934 1 5 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.498 0.221 19876 2935 1 5 . 1 1 44 44 VAL C C 44 176.057 176.057 177.898 -1.841 19876 2936 1 5 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.467 -0.765 19876 2937 1 5 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.845 0.890 19876 2938 1 5 . 1 1 44 44 VAL H H 44 7.836 7.836 8.059 -0.223 19876 2939 1 5 . 1 1 45 45 ASN N N 45 123.038 123.038 118.641 4.397 19876 2940 1 5 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.886 0.158 19876 2941 1 5 . 1 1 45 45 ASN C C 45 176.022 176.022 177.860 -1.838 19876 2942 1 5 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.080 0.755 19876 2943 1 5 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.324 -0.603 19876 2944 1 5 . 1 1 45 45 ASN H H 45 7.709 7.709 7.366 0.343 19876 2945 1 5 . 1 1 46 46 LEU N N 46 122.005 122.005 120.445 1.560 19876 2946 1 5 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.824 0.102 19876 2947 1 5 . 1 1 46 46 LEU C C 46 178.192 178.192 178.928 -0.736 19876 2948 1 5 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.181 -0.138 19876 2949 1 5 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.312 -0.482 19876 2950 1 5 . 1 1 46 46 LEU H H 46 8.239 8.239 8.215 0.024 19876 2951 1 5 . 1 1 47 47 GLN N N 47 119.394 119.394 119.029 0.365 19876 2952 1 5 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.894 0.077 19876 2953 1 5 . 1 1 47 47 GLN C C 47 177.762 177.762 178.725 -0.963 19876 2954 1 5 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.363 -0.672 19876 2955 1 5 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.652 -0.525 19876 2956 1 5 . 1 1 47 47 GLN H H 47 7.825 7.825 8.519 -0.694 19876 2957 1 5 . 1 1 48 48 LEU N N 48 122.808 122.808 119.910 2.898 19876 2958 1 5 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.741 0.002 19876 2959 1 5 . 1 1 48 48 LEU C C 48 177.366 177.366 178.826 -1.460 19876 2960 1 5 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.923 -0.649 19876 2961 1 5 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.040 0.419 19876 2962 1 5 . 1 1 48 48 LEU H H 48 7.625 7.625 8.846 -1.221 19876 2963 1 5 . 1 1 49 49 ASN N N 49 117.784 117.784 118.314 -0.530 19876 2964 1 5 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.388 -0.102 19876 2965 1 5 . 1 1 49 49 ASN C C 49 176.893 176.893 177.373 -0.480 19876 2966 1 5 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.428 -1.292 19876 2967 1 5 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.351 -0.741 19876 2968 1 5 . 1 1 49 49 ASN H H 49 7.797 7.797 8.061 -0.264 19876 2969 1 5 . 1 1 50 50 ASP N N 50 120.887 120.887 121.879 -0.992 19876 2970 1 5 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.371 -0.067 19876 2971 1 5 . 1 1 50 50 ASP C C 50 177.452 177.452 178.611 -1.159 19876 2972 1 5 . 1 1 50 50 ASP CA C 50 57.387 57.387 58.051 -0.664 19876 2973 1 5 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.014 -0.424 19876 2974 1 5 . 1 1 50 50 ASP H H 50 7.868 7.868 8.510 -0.642 19876 2975 1 5 . 1 1 51 51 LEU N N 51 123.117 123.117 120.709 2.408 19876 2976 1 5 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.799 0.359 19876 2977 1 5 . 1 1 51 51 LEU C C 51 177.345 177.345 179.161 -1.816 19876 2978 1 5 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.249 -1.285 19876 2979 1 5 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.990 -0.989 19876 2980 1 5 . 1 1 51 51 LEU H H 51 7.627 7.627 8.558 -0.931 19876 2981 1 5 . 1 1 52 52 ILE N N 52 120.007 120.007 118.612 1.395 19876 2982 1 5 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.524 -0.157 19876 2983 1 5 . 1 1 52 52 ILE C C 52 176.246 176.246 178.105 -1.859 19876 2984 1 5 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.988 1.032 19876 2985 1 5 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.430 0.752 19876 2986 1 5 . 1 1 52 52 ILE H H 52 8.309 8.309 8.736 -0.427 19876 2987 1 5 . 1 1 53 53 GLU N N 53 117.619 117.619 119.632 -2.013 19876 2988 1 5 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.935 -0.004 19876 2989 1 5 . 1 1 53 53 GLU C C 53 178.193 178.193 178.817 -0.624 19876 2990 1 5 . 1 1 53 53 GLU CA C 53 59.453 59.453 60.001 -0.548 19876 2991 1 5 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.578 -0.230 19876 2992 1 5 . 1 1 53 53 GLU H H 53 7.965 7.965 8.164 -0.199 19876 2993 1 5 . 1 1 54 54 HIS N N 54 120.335 120.335 120.506 -0.171 19876 2994 1 5 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.307 0.005 19876 2995 1 5 . 1 1 54 54 HIS C C 54 177.331 177.331 178.211 -0.880 19876 2996 1 5 . 1 1 54 54 HIS CA C 54 59.562 59.562 60.017 -0.455 19876 2997 1 5 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.924 0.273 19876 2998 1 5 . 1 1 54 54 HIS H H 54 8.117 8.117 8.771 -0.654 19876 2999 1 5 . 1 1 55 55 ILE N N 55 120.694 120.694 119.289 1.405 19876 3000 1 5 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.893 -0.454 19876 3001 1 5 . 1 1 55 55 ILE C C 55 176.281 176.281 177.593 -1.312 19876 3002 1 5 . 1 1 55 55 ILE CA C 55 65.951 65.951 64.906 1.045 19876 3003 1 5 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.768 -0.739 19876 3004 1 5 . 1 1 55 55 ILE H H 55 8.655 8.655 8.760 -0.105 19876 3005 1 5 . 1 1 56 56 ALA N N 56 123.896 123.896 123.111 0.785 19876 3006 1 5 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.884 -0.123 19876 3007 1 5 . 1 1 56 56 ALA C C 56 179.581 179.581 179.633 -0.052 19876 3008 1 5 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.810 -0.198 19876 3009 1 5 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.080 -0.431 19876 3010 1 5 . 1 1 56 56 ALA H H 56 9.063 9.063 8.674 0.389 19876 3011 1 5 . 1 1 57 57 SER N N 57 114.014 114.014 115.115 -1.101 19876 3012 1 5 . 1 1 57 57 SER HA H 57 4.165 4.165 4.160 0.005 19876 3013 1 5 . 1 1 57 57 SER C C 57 175.540 175.540 176.438 -0.898 19876 3014 1 5 . 1 1 57 57 SER CA C 57 61.491 61.491 60.976 0.515 19876 3015 1 5 . 1 1 57 57 SER CB C 57 62.640 62.640 62.526 0.114 19876 3016 1 5 . 1 1 57 57 SER H H 57 7.918 7.918 8.676 -0.758 19876 3017 1 5 . 1 1 58 58 PHE N N 58 125.013 125.013 124.498 0.515 19876 3018 1 5 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.364 -0.346 19876 3019 1 5 . 1 1 58 58 PHE C C 58 177.343 177.343 177.804 -0.461 19876 3020 1 5 . 1 1 58 58 PHE CA C 58 61.676 61.676 59.900 1.776 19876 3021 1 5 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.873 0.311 19876 3022 1 5 . 1 1 58 58 PHE H H 58 8.024 8.024 7.644 0.380 19876 3023 1 5 . 1 1 59 59 VAL N N 59 120.373 120.373 120.694 -0.321 19876 3024 1 5 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.093 0.564 19876 3025 1 5 . 1 1 59 59 VAL C C 59 175.403 175.403 177.619 -2.216 19876 3026 1 5 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.225 -1.123 19876 3027 1 5 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.464 -0.026 19876 3028 1 5 . 1 1 59 59 VAL H H 59 9.263 9.263 8.807 0.456 19876 3029 1 5 . 1 1 60 60 MET N N 60 120.360 120.360 118.345 2.015 19876 3030 1 5 . 1 1 60 60 MET HA H 60 4.002 4.002 3.913 0.089 19876 3031 1 5 . 1 1 60 60 MET C C 60 177.417 177.417 177.986 -0.569 19876 3032 1 5 . 1 1 60 60 MET CA C 60 59.396 59.396 60.274 -0.878 19876 3033 1 5 . 1 1 60 60 MET CB C 60 31.986 31.986 32.165 -0.179 19876 3034 1 5 . 1 1 60 60 MET H H 60 7.826 7.826 7.942 -0.116 19876 3035 1 5 . 1 1 61 61 SER N N 61 113.289 113.289 115.015 -1.726 19876 3036 1 5 . 1 1 61 61 SER HA H 61 4.035 4.035 4.114 -0.079 19876 3037 1 5 . 1 1 61 61 SER CA C 61 61.619 61.619 61.327 0.292 19876 3038 1 5 . 1 1 61 61 SER CB C 61 62.600 62.600 62.153 0.447 19876 3039 1 5 . 1 1 61 61 SER H H 61 7.230 7.230 7.557 -0.327 19876 3040 1 5 . 1 1 62 62 PHE N N 62 126.395 126.395 124.487 1.908 19876 3041 1 5 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.284 -0.643 19876 3042 1 5 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.593 0.351 19876 3043 1 5 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.820 1.642 19876 3044 1 5 . 1 1 62 62 PHE H H 62 8.681 8.681 8.163 0.518 19876 3045 1 5 . 1 1 63 63 LYS N N 63 116.676 116.676 117.373 -0.697 19876 3046 1 5 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.345 -0.313 19876 3047 1 5 . 1 1 63 63 LYS C C 63 177.262 177.262 178.298 -1.036 19876 3048 1 5 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.719 -0.032 19876 3049 1 5 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.385 0.464 19876 3050 1 5 . 1 1 63 63 LYS H H 63 8.585 8.585 8.267 0.318 19876 3051 1 5 . 1 1 64 64 ILE N N 64 117.020 117.020 118.749 -1.729 19876 3052 1 5 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.787 -0.264 19876 3053 1 5 . 1 1 64 64 ILE C C 64 176.151 176.151 178.117 -1.966 19876 3054 1 5 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.927 -0.934 19876 3055 1 5 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.085 0.092 19876 3056 1 5 . 1 1 64 64 ILE H H 64 6.751 6.751 7.972 -1.221 19876 3057 1 5 . 1 1 65 65 LYS N N 65 120.165 120.165 118.294 1.871 19876 3058 1 5 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.137 -0.698 19876 3059 1 5 . 1 1 65 65 LYS C C 65 175.133 175.133 176.502 -1.369 19876 3060 1 5 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.306 0.649 19876 3061 1 5 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.221 -0.264 19876 3062 1 5 . 1 1 65 65 LYS H H 65 7.058 7.058 8.231 -1.173 19876 3063 1 5 . 1 1 66 66 TYR N N 66 115.421 115.421 120.301 -4.880 19876 3064 1 5 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.775 0.113 19876 3065 1 5 . 1 1 66 66 TYR C C 66 173.061 173.061 172.980 0.081 19876 3066 1 5 . 1 1 66 66 TYR CA C 66 54.529 54.529 54.827 -0.298 19876 3067 1 5 . 1 1 66 66 TYR CB C 66 36.669 36.669 40.690 -4.021 19876 3068 1 5 . 1 1 66 66 TYR H H 66 7.784 7.784 7.730 0.054 19876 3069 1 5 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.593 -0.236 19876 3070 1 5 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.985 0.525 19876 3071 1 5 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.357 -0.452 19876 3072 1 5 . 1 1 68 68 ASP N N 68 117.110 117.110 120.258 -3.148 19876 3073 1 5 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.194 0.533 19876 3074 1 5 . 1 1 68 68 ASP C C 68 175.024 175.024 176.333 -1.309 19876 3075 1 5 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.676 -0.933 19876 3076 1 5 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.262 0.232 19876 3077 1 5 . 1 1 68 68 ASP H H 68 8.548 8.548 7.789 0.759 19876 3078 1 5 . 1 1 69 69 ASP N N 69 122.994 122.994 115.918 7.076 19876 3079 1 5 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.358 0.633 19876 3080 1 5 . 1 1 69 69 ASP C C 69 174.782 174.782 177.925 -3.143 19876 3081 1 5 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.777 0.538 19876 3082 1 5 . 1 1 69 69 ASP CB C 69 40.163 40.163 39.918 0.245 19876 3083 1 5 . 1 1 69 69 ASP H H 69 7.545 7.545 7.780 -0.235 19876 3084 1 5 . 1 1 70 70 GLY N N 70 107.712 107.712 108.954 -1.242 19876 3085 1 5 . 1 1 70 70 GLY C C 70 173.987 173.987 175.425 -1.438 19876 3086 1 5 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.566 -0.233 19876 3087 1 5 . 1 1 70 70 GLY H H 70 7.879 7.879 7.821 0.058 19876 3088 1 5 . 1 1 71 71 ASP N N 71 119.785 119.785 121.277 -1.492 19876 3089 1 5 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.319 -0.124 19876 3090 1 5 . 1 1 71 71 ASP C C 71 177.114 177.114 177.972 -0.858 19876 3091 1 5 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.183 -0.131 19876 3092 1 5 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.697 -1.352 19876 3093 1 5 . 1 1 71 71 ASP H H 71 8.447 8.447 7.935 0.512 19876 3094 1 5 . 1 1 72 72 LEU N N 72 119.776 119.776 120.339 -0.563 19876 3095 1 5 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.808 0.059 19876 3096 1 5 . 1 1 72 72 LEU C C 72 176.531 176.531 177.926 -1.395 19876 3097 1 5 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.209 -0.757 19876 3098 1 5 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.633 0.102 19876 3099 1 5 . 1 1 72 72 LEU H H 72 7.562 7.562 7.300 0.262 19876 3100 1 5 . 1 1 73 73 SER N N 73 113.964 113.964 115.519 -1.555 19876 3101 1 5 . 1 1 73 73 SER HA H 73 3.605 3.605 3.859 -0.254 19876 3102 1 5 . 1 1 73 73 SER C C 73 174.610 174.610 176.534 -1.924 19876 3103 1 5 . 1 1 73 73 SER CA C 73 62.161 62.161 61.629 0.532 19876 3104 1 5 . 1 1 73 73 SER CB C 73 62.158 62.158 62.588 -0.430 19876 3105 1 5 . 1 1 73 73 SER H H 73 8.050 8.050 8.482 -0.432 19876 3106 1 5 . 1 1 74 74 GLU N N 74 119.742 119.742 123.139 -3.397 19876 3107 1 5 . 1 1 74 74 GLU HA H 74 4.071 4.071 3.997 0.074 19876 3108 1 5 . 1 1 74 74 GLU C C 74 178.089 178.089 178.767 -0.678 19876 3109 1 5 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.399 -0.297 19876 3110 1 5 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.411 -0.198 19876 3111 1 5 . 1 1 74 74 GLU H H 74 8.623 8.623 8.332 0.291 19876 3112 1 5 . 1 1 75 75 LEU N N 75 122.325 122.325 120.790 1.535 19876 3113 1 5 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.366 -0.123 19876 3114 1 5 . 1 1 75 75 LEU C C 75 177.962 177.962 179.258 -1.296 19876 3115 1 5 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.745 -0.365 19876 3116 1 5 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.200 0.204 19876 3117 1 5 . 1 1 75 75 LEU H H 75 7.255 7.255 8.386 -1.131 19876 3118 1 5 . 1 1 76 76 VAL N N 76 119.514 119.514 120.181 -0.667 19876 3119 1 5 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.637 -0.050 19876 3120 1 5 . 1 1 76 76 VAL C C 76 176.909 176.909 178.642 -1.733 19876 3121 1 5 . 1 1 76 76 VAL CA C 76 67.260 67.260 66.995 0.265 19876 3122 1 5 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.687 0.256 19876 3123 1 5 . 1 1 76 76 VAL H H 76 8.235 8.235 8.653 -0.418 19876 3124 1 5 . 1 1 77 77 GLU N N 77 118.692 118.692 119.875 -1.183 19876 3125 1 5 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.861 -0.122 19876 3126 1 5 . 1 1 77 77 GLU C C 77 177.692 177.692 179.210 -1.518 19876 3127 1 5 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.227 0.780 19876 3128 1 5 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.331 -0.174 19876 3129 1 5 . 1 1 77 77 GLU H H 77 8.204 8.204 8.939 -0.735 19876 3130 1 5 . 1 1 78 78 GLU N N 78 121.945 121.945 119.860 2.085 19876 3131 1 5 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.038 -0.010 19876 3132 1 5 . 1 1 78 78 GLU C C 78 176.559 176.559 179.015 -2.456 19876 3133 1 5 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.658 -0.084 19876 3134 1 5 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.674 0.211 19876 3135 1 5 . 1 1 78 78 GLU H H 78 8.058 8.058 8.613 -0.555 19876 3136 1 5 . 1 1 79 79 TYR N N 79 119.945 119.945 121.353 -1.408 19876 3137 1 5 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.214 0.186 19876 3138 1 5 . 1 1 79 79 TYR C C 79 178.365 178.365 177.993 0.372 19876 3139 1 5 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.449 -0.348 19876 3140 1 5 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.323 0.315 19876 3141 1 5 . 1 1 79 79 TYR H H 79 8.347 8.347 8.621 -0.274 19876 3142 1 5 . 1 1 80 80 LEU N N 80 123.586 123.586 118.833 4.753 19876 3143 1 5 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.827 -0.178 19876 3144 1 5 . 1 1 80 80 LEU C C 80 177.594 177.594 179.265 -1.671 19876 3145 1 5 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.385 0.294 19876 3146 1 5 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.037 -0.395 19876 3147 1 5 . 1 1 80 80 LEU H H 80 9.113 9.113 8.854 0.259 19876 3148 1 5 . 1 1 81 81 ASP N N 81 121.522 121.522 119.205 2.317 19876 3149 1 5 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.372 0.034 19876 3150 1 5 . 1 1 81 81 ASP C C 81 178.021 178.021 178.372 -0.351 19876 3151 1 5 . 1 1 81 81 ASP CA C 81 57.689 57.689 57.985 -0.296 19876 3152 1 5 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.737 -0.095 19876 3153 1 5 . 1 1 81 81 ASP H H 81 8.228 8.228 8.217 0.011 19876 3154 1 5 . 1 1 82 82 ASP N N 82 120.931 120.931 119.817 1.114 19876 3155 1 5 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.419 0.003 19876 3156 1 5 . 1 1 82 82 ASP C C 82 178.342 178.342 178.966 -0.624 19876 3157 1 5 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.655 0.252 19876 3158 1 5 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.663 0.170 19876 3159 1 5 . 1 1 82 82 ASP H H 82 9.139 9.139 8.661 0.478 19876 3160 1 5 . 1 1 83 83 THR N N 83 118.686 118.686 116.919 1.767 19876 3161 1 5 . 1 1 83 83 THR HA H 83 3.415 3.415 3.623 -0.208 19876 3162 1 5 . 1 1 83 83 THR C C 83 173.663 173.663 176.533 -2.870 19876 3163 1 5 . 1 1 83 83 THR CA C 83 67.258 67.258 66.914 0.344 19876 3164 1 5 . 1 1 83 83 THR CB C 83 68.017 68.017 68.892 -0.875 19876 3165 1 5 . 1 1 83 83 THR H H 83 8.394 8.394 8.731 -0.337 19876 3166 1 5 . 1 1 84 84 TYR N N 84 122.004 122.004 123.096 -1.092 19876 3167 1 5 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.110 -0.367 19876 3168 1 5 . 1 1 84 84 TYR C C 84 177.983 177.983 177.714 0.269 19876 3169 1 5 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.236 -0.129 19876 3170 1 5 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.439 0.012 19876 3171 1 5 . 1 1 84 84 TYR H H 84 8.561 8.561 8.727 -0.166 19876 3172 1 5 . 1 1 85 85 THR N N 85 116.249 116.249 115.691 0.558 19876 3173 1 5 . 1 1 85 85 THR HA H 85 3.409 3.409 3.746 -0.337 19876 3174 1 5 . 1 1 85 85 THR C C 85 174.628 174.628 176.704 -2.076 19876 3175 1 5 . 1 1 85 85 THR CA C 85 66.483 66.483 66.223 0.260 19876 3176 1 5 . 1 1 85 85 THR CB C 85 68.604 68.604 68.561 0.043 19876 3177 1 5 . 1 1 85 85 THR H H 85 8.749 8.749 8.759 -0.010 19876 3178 1 5 . 1 1 86 86 LEU N N 86 121.835 121.835 122.067 -0.232 19876 3179 1 5 . 1 1 86 86 LEU HA H 86 3.555 3.555 4.027 -0.472 19876 3180 1 5 . 1 1 86 86 LEU C C 86 176.057 176.057 179.484 -3.427 19876 3181 1 5 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.371 0.635 19876 3182 1 5 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.446 1.327 19876 3183 1 5 . 1 1 86 86 LEU H H 86 7.257 7.257 8.154 -0.897 19876 3184 1 5 . 1 1 87 87 PHE N N 87 111.264 111.264 116.082 -4.818 19876 3185 1 5 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.120 -0.143 19876 3186 1 5 . 1 1 87 87 PHE C C 87 174.687 174.687 177.870 -3.183 19876 3187 1 5 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.411 0.329 19876 3188 1 5 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.708 0.723 19876 3189 1 5 . 1 1 87 87 PHE H H 87 7.168 7.168 7.723 -0.555 19876 3190 1 5 . 1 1 88 88 SER N N 88 112.848 112.848 113.150 -0.302 19876 3191 1 5 . 1 1 88 88 SER HA H 88 4.207 4.207 4.098 0.109 19876 3192 1 5 . 1 1 88 88 SER C C 88 172.760 172.760 174.314 -1.554 19876 3193 1 5 . 1 1 88 88 SER CA C 88 58.725 58.725 59.966 -1.241 19876 3194 1 5 . 1 1 88 88 SER CB C 88 63.342 63.342 63.334 0.008 19876 3195 1 5 . 1 1 88 88 SER H H 88 7.290 7.290 7.613 -0.323 19876 3196 1 5 . 1 1 89 89 SER N N 89 116.554 116.554 117.639 -1.085 19876 3197 1 5 . 1 1 89 89 SER HA H 89 4.347 4.347 4.453 -0.106 19876 3198 1 5 . 1 1 89 89 SER C C 89 172.251 172.251 174.007 -1.756 19876 3199 1 5 . 1 1 89 89 SER CA C 89 57.597 57.597 57.662 -0.065 19876 3200 1 5 . 1 1 89 89 SER CB C 89 64.426 64.426 63.928 0.498 19876 3201 1 5 . 1 1 89 89 SER H H 89 7.064 7.064 7.773 -0.709 19876 3202 1 5 . 1 1 90 90 TYR N N 90 122.348 122.348 126.073 -3.725 19876 3203 1 5 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.202 0.141 19876 3204 1 5 . 1 1 90 90 TYR C C 90 175.043 175.043 176.095 -1.052 19876 3205 1 5 . 1 1 90 90 TYR CA C 90 58.972 58.972 60.669 -1.697 19876 3206 1 5 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.899 -1.273 19876 3207 1 5 . 1 1 90 90 TYR H H 90 8.446 8.446 8.952 -0.506 19876 3208 1 5 . 1 1 91 91 GLY N N 91 111.349 111.349 103.807 7.542 19876 3209 1 5 . 1 1 91 91 GLY C C 91 170.874 170.874 173.248 -2.374 19876 3210 1 5 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.999 0.735 19876 3211 1 5 . 1 1 91 91 GLY H H 91 7.820 7.820 7.756 0.064 19876 3212 1 5 . 1 1 92 92 ILE N N 92 121.703 121.703 125.009 -3.306 19876 3213 1 5 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.658 0.220 19876 3214 1 5 . 1 1 92 92 ILE C C 92 173.956 173.956 175.753 -1.797 19876 3215 1 5 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.784 -0.657 19876 3216 1 5 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.438 2.004 19876 3217 1 5 . 1 1 92 92 ILE H H 92 8.032 8.032 9.343 -1.311 19876 3218 1 5 . 1 1 93 93 ASN N N 93 125.791 125.791 127.257 -1.466 19876 3219 1 5 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.932 -0.018 19876 3220 1 5 . 1 1 93 93 ASN C C 93 173.468 173.468 176.334 -2.866 19876 3221 1 5 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.599 -1.157 19876 3222 1 5 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.208 -0.061 19876 3223 1 5 . 1 1 93 93 ASN H H 93 8.423 8.423 8.933 -0.510 19876 3224 1 5 . 1 1 94 94 ASP N N 94 122.019 122.019 123.428 -1.409 19876 3225 1 5 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.483 0.008 19876 3226 1 5 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.467 0.651 19876 3227 1 5 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.712 0.576 19876 3228 1 5 . 1 1 94 94 ASP H H 94 8.710 8.710 8.991 -0.281 19876 3229 1 5 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.248 -0.094 19876 3230 1 5 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.787 0.767 19876 3231 1 5 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.072 -0.323 19876 3232 1 5 . 1 1 96 96 GLU N N 96 117.965 117.965 118.285 -0.320 19876 3233 1 5 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.065 -0.204 19876 3234 1 5 . 1 1 96 96 GLU C C 96 177.730 177.730 178.975 -1.245 19876 3235 1 5 . 1 1 96 96 GLU CA C 96 59.882 59.882 58.955 0.927 19876 3236 1 5 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.787 0.051 19876 3237 1 5 . 1 1 96 96 GLU H H 96 7.954 7.954 8.311 -0.357 19876 3238 1 5 . 1 1 97 97 LEU N N 97 124.427 124.427 122.488 1.939 19876 3239 1 5 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.887 0.222 19876 3240 1 5 . 1 1 97 97 LEU C C 97 177.211 177.211 178.654 -1.443 19876 3241 1 5 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.308 -0.257 19876 3242 1 5 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.885 -0.114 19876 3243 1 5 . 1 1 97 97 LEU H H 97 7.825 7.825 8.515 -0.690 19876 3244 1 5 . 1 1 98 98 GLN N N 98 117.195 117.195 117.261 -0.066 19876 3245 1 5 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.040 -0.050 19876 3246 1 5 . 1 1 98 98 GLN C C 98 177.762 177.762 178.805 -1.043 19876 3247 1 5 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.976 -0.353 19876 3248 1 5 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.743 0.258 19876 3249 1 5 . 1 1 98 98 GLN H H 98 8.481 8.481 8.787 -0.306 19876 3250 1 5 . 1 1 99 99 ARG N N 99 119.687 119.687 120.262 -0.575 19876 3251 1 5 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.092 -0.170 19876 3252 1 5 . 1 1 99 99 ARG C C 99 176.055 176.055 178.541 -2.486 19876 3253 1 5 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.715 -0.102 19876 3254 1 5 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.732 0.590 19876 3255 1 5 . 1 1 99 99 ARG H H 99 7.836 7.836 7.427 0.409 19876 3256 1 5 . 1 1 100 100 TRP N N 100 119.762 119.762 122.135 -2.373 19876 3257 1 5 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.579 -0.350 19876 3258 1 5 . 1 1 100 100 TRP C C 100 176.004 176.004 178.927 -2.923 19876 3259 1 5 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.783 0.222 19876 3260 1 5 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.091 -0.143 19876 3261 1 5 . 1 1 100 100 TRP H H 100 7.731 7.731 7.960 -0.229 19876 3262 1 5 . 1 1 101 101 GLN N N 101 115.464 115.464 116.816 -1.352 19876 3263 1 5 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.830 -0.345 19876 3264 1 5 . 1 1 101 101 GLN C C 101 177.498 177.498 178.582 -1.084 19876 3265 1 5 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.735 -0.571 19876 3266 1 5 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.282 -0.200 19876 3267 1 5 . 1 1 101 101 GLN H H 101 8.277 8.277 8.888 -0.611 19876 3268 1 5 . 1 1 102 102 LYS N N 102 119.856 119.856 118.799 1.057 19876 3269 1 5 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.095 -0.183 19876 3270 1 5 . 1 1 102 102 LYS C C 102 178.364 178.364 179.209 -0.845 19876 3271 1 5 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.446 -0.267 19876 3272 1 5 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.429 -0.604 19876 3273 1 5 . 1 1 102 102 LYS H H 102 8.047 8.047 8.281 -0.234 19876 3274 1 5 . 1 1 103 103 THR N N 103 121.217 121.217 116.986 4.231 19876 3275 1 5 . 1 1 103 103 THR HA H 103 3.658 3.658 3.926 -0.268 19876 3276 1 5 . 1 1 103 103 THR C C 103 174.266 174.266 176.192 -1.926 19876 3277 1 5 . 1 1 103 103 THR CA C 103 66.206 66.206 66.982 -0.776 19876 3278 1 5 . 1 1 103 103 THR CB C 103 67.515 67.515 68.374 -0.858 19876 3279 1 5 . 1 1 103 103 THR H H 103 8.816 8.816 8.643 0.173 19876 3280 1 5 . 1 1 104 104 LYS N N 104 122.265 122.265 120.781 1.484 19876 3281 1 5 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.132 -0.081 19876 3282 1 5 . 1 1 104 104 LYS C C 104 176.952 176.952 178.521 -1.569 19876 3283 1 5 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.071 1.449 19876 3284 1 5 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.103 -0.763 19876 3285 1 5 . 1 1 104 104 LYS H H 104 8.258 8.258 8.335 -0.077 19876 3286 1 5 . 1 1 105 105 GLU N N 105 118.912 118.912 119.612 -0.700 19876 3287 1 5 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.736 -0.138 19876 3288 1 5 . 1 1 105 105 GLU C C 105 178.038 178.038 178.905 -0.867 19876 3289 1 5 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.117 0.401 19876 3290 1 5 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.013 0.019 19876 3291 1 5 . 1 1 105 105 GLU H H 105 7.963 7.963 7.395 0.568 19876 3292 1 5 . 1 1 106 106 ARG N N 106 120.201 120.201 119.281 0.920 19876 3293 1 5 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.960 -0.264 19876 3294 1 5 . 1 1 106 106 ARG C C 106 177.744 177.744 179.001 -1.257 19876 3295 1 5 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.260 0.734 19876 3296 1 5 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.126 0.662 19876 3297 1 5 . 1 1 106 106 ARG H H 106 7.940 7.940 8.360 -0.420 19876 3298 1 5 . 1 1 107 107 LEU N N 107 120.982 120.982 120.091 0.891 19876 3299 1 5 . 1 1 107 107 LEU HA H 107 3.745 3.745 4.043 -0.298 19876 3300 1 5 . 1 1 107 107 LEU C C 107 176.173 176.173 178.699 -2.526 19876 3301 1 5 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.453 -0.016 19876 3302 1 5 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.442 -0.573 19876 3303 1 5 . 1 1 107 107 LEU H H 107 8.242 8.242 8.180 0.062 19876 3304 1 5 . 1 1 108 108 PHE N N 108 117.793 117.793 119.226 -1.433 19876 3305 1 5 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.186 -0.184 19876 3306 1 5 . 1 1 108 108 PHE C C 108 177.654 177.654 177.847 -0.193 19876 3307 1 5 . 1 1 108 108 PHE CA C 108 61.189 61.189 62.162 -0.973 19876 3308 1 5 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.345 -1.560 19876 3309 1 5 . 1 1 108 108 PHE H H 108 8.772 8.772 8.694 0.078 19876 3310 1 5 . 1 1 109 109 ARG N N 109 121.726 121.726 118.833 2.893 19876 3311 1 5 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.020 -0.014 19876 3312 1 5 . 1 1 109 109 ARG C C 109 177.785 177.785 178.759 -0.974 19876 3313 1 5 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.961 0.381 19876 3314 1 5 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.452 0.346 19876 3315 1 5 . 1 1 109 109 ARG H H 109 7.865 7.865 7.999 -0.134 19876 3316 1 5 . 1 1 110 110 LEU N N 110 121.486 121.486 119.920 1.566 19876 3317 1 5 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.095 -0.001 19876 3318 1 5 . 1 1 110 110 LEU C C 110 178.537 178.537 179.442 -0.905 19876 3319 1 5 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.168 -0.327 19876 3320 1 5 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.972 -1.151 19876 3321 1 5 . 1 1 110 110 LEU H H 110 7.338 7.338 7.486 -0.148 19876 3322 1 5 . 1 1 111 111 PHE N N 111 115.883 115.883 117.257 -1.374 19876 3323 1 5 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.202 0.114 19876 3324 1 5 . 1 1 111 111 PHE C C 111 175.369 175.369 177.135 -1.766 19876 3325 1 5 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.597 -1.518 19876 3326 1 5 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.576 -0.065 19876 3327 1 5 . 1 1 111 111 PHE H H 111 7.584 7.584 8.647 -1.063 19876 3328 1 5 . 1 1 112 112 SER N N 112 111.693 111.693 112.556 -0.863 19876 3329 1 5 . 1 1 112 112 SER HA H 112 4.329 4.329 4.501 -0.172 19876 3330 1 5 . 1 1 112 112 SER C C 112 173.353 173.353 175.072 -1.719 19876 3331 1 5 . 1 1 112 112 SER CA C 112 59.050 59.050 58.868 0.182 19876 3332 1 5 . 1 1 112 112 SER CB C 112 63.841 63.841 63.088 0.753 19876 3333 1 5 . 1 1 112 112 SER H H 112 7.554 7.554 8.055 -0.501 19876 3334 1 5 . 1 1 113 113 GLY N N 113 109.665 109.665 108.105 1.560 19876 3335 1 5 . 1 1 113 113 GLY C C 113 173.407 173.407 174.911 -1.504 19876 3336 1 5 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.062 0.312 19876 3337 1 5 . 1 1 113 113 GLY H H 113 7.781 7.781 7.610 0.171 19876 3338 1 5 . 1 1 114 114 GLU N N 114 121.028 121.028 121.508 -0.480 19876 3339 1 5 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.881 0.121 19876 3340 1 5 . 1 1 114 114 GLU C C 114 175.971 175.971 177.557 -1.586 19876 3341 1 5 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.584 -0.274 19876 3342 1 5 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.368 0.796 19876 3343 1 5 . 1 1 114 114 GLU H H 114 8.414 8.414 7.904 0.510 19876 3344 1 5 . 1 1 115 115 TYR N N 115 118.828 118.828 115.597 3.231 19876 3345 1 5 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.570 -0.258 19876 3346 1 5 . 1 1 115 115 TYR C C 115 175.248 175.248 177.964 -2.716 19876 3347 1 5 . 1 1 115 115 TYR CA C 115 59.734 59.734 60.050 -0.316 19876 3348 1 5 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.797 -0.427 19876 3349 1 5 . 1 1 115 115 TYR H H 115 7.939 7.939 7.242 0.697 19876 3350 1 5 . 1 1 116 116 ILE N N 116 120.412 120.412 120.204 0.208 19876 3351 1 5 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.527 0.216 19876 3352 1 5 . 1 1 116 116 ILE C C 116 175.591 175.591 177.946 -2.355 19876 3353 1 5 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.656 -2.520 19876 3354 1 5 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.254 0.973 19876 3355 1 5 . 1 1 116 116 ILE H H 116 7.892 7.892 7.622 0.270 19876 3356 1 5 . 1 1 117 117 SER N N 117 117.142 117.142 113.513 3.629 19876 3357 1 5 . 1 1 117 117 SER HA H 117 4.141 4.141 4.084 0.057 19876 3358 1 5 . 1 1 117 117 SER C C 117 174.795 174.795 176.166 -1.371 19876 3359 1 5 . 1 1 117 117 SER CA C 117 60.437 60.437 61.384 -0.947 19876 3360 1 5 . 1 1 117 117 SER CB C 117 62.987 62.987 62.581 0.406 19876 3361 1 5 . 1 1 117 117 SER H H 117 8.127 8.127 8.659 -0.532 19876 3362 1 5 . 1 1 118 118 THR N N 118 115.779 115.779 116.266 -0.487 19876 3363 1 5 . 1 1 118 118 THR HA H 118 3.987 3.987 4.172 -0.185 19876 3364 1 5 . 1 1 118 118 THR C C 118 174.025 174.025 175.498 -1.473 19876 3365 1 5 . 1 1 118 118 THR CA C 118 64.026 64.026 64.428 -0.402 19876 3366 1 5 . 1 1 118 118 THR CB C 118 68.953 68.953 69.129 -0.176 19876 3367 1 5 . 1 1 118 118 THR H H 118 7.872 7.872 7.716 0.156 19876 3368 1 5 . 1 1 119 119 LEU N N 119 122.845 122.845 121.457 1.388 19876 3369 1 5 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.935 0.113 19876 3370 1 5 . 1 1 119 119 LEU C C 119 176.246 176.246 176.725 -0.479 19876 3371 1 5 . 1 1 119 119 LEU CA C 119 56.081 56.081 56.347 -0.266 19876 3372 1 5 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.841 -0.636 19876 3373 1 5 . 1 1 119 119 LEU H H 119 7.679 7.679 7.439 0.240 19876 3374 1 5 . 1 1 120 120 MET N N 120 117.447 117.447 115.665 1.782 19876 3375 1 5 . 1 1 120 120 MET HA H 120 4.243 4.243 4.686 -0.443 19876 3376 1 5 . 1 1 120 120 MET C C 120 174.594 174.594 175.600 -1.006 19876 3377 1 5 . 1 1 120 120 MET CA C 120 55.470 55.470 54.680 0.790 19876 3378 1 5 . 1 1 120 120 MET CB C 120 32.606 32.606 30.910 1.696 19876 3379 1 5 . 1 1 120 120 MET H H 120 7.812 7.812 8.258 -0.446 19876 3380 1 5 . 1 1 121 121 LYS N N 121 121.578 121.578 124.122 -2.544 19876 3381 1 5 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.122 0.113 19876 3382 1 5 . 1 1 121 121 LYS C C 121 174.539 174.539 177.498 -2.959 19876 3383 1 5 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.592 -2.111 19876 3384 1 5 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.534 0.432 19876 3385 1 5 . 1 1 121 121 LYS H H 121 7.790 7.790 8.022 -0.232 19876 3386 1 6 . 1 1 2 2 ASP N N 2 122.949 122.949 123.284 -0.335 19876 3387 1 6 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.822 -0.378 19876 3388 1 6 . 1 1 2 2 ASP C C 2 174.891 174.891 175.056 -0.165 19876 3389 1 6 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.805 -0.183 19876 3390 1 6 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.040 -0.721 19876 3391 1 6 . 1 1 2 2 ASP H H 2 8.386 8.386 8.460 -0.074 19876 3392 1 6 . 1 1 3 3 GLU N N 3 119.296 119.296 120.057 -0.761 19876 3393 1 6 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.149 -0.285 19876 3394 1 6 . 1 1 3 3 GLU C C 3 175.006 175.006 176.689 -1.683 19876 3395 1 6 . 1 1 3 3 GLU CA C 3 58.073 58.073 56.182 1.891 19876 3396 1 6 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.801 -0.234 19876 3397 1 6 . 1 1 3 3 GLU H H 3 8.601 8.601 8.542 0.059 19876 3398 1 6 . 1 1 4 4 TYR N N 4 118.038 118.038 120.583 -2.545 19876 3399 1 6 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.388 0.065 19876 3400 1 6 . 1 1 4 4 TYR C C 4 174.761 174.761 176.505 -1.744 19876 3401 1 6 . 1 1 4 4 TYR CA C 4 57.574 57.574 59.097 -1.523 19876 3402 1 6 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.173 0.822 19876 3403 1 6 . 1 1 4 4 TYR H H 4 8.049 8.049 7.022 1.027 19876 3404 1 6 . 1 1 5 5 SER N N 5 118.519 118.519 116.014 2.505 19876 3405 1 6 . 1 1 5 5 SER HA H 5 4.444 4.444 5.068 -0.624 19876 3406 1 6 . 1 1 5 5 SER C C 5 171.907 171.907 172.348 -0.441 19876 3407 1 6 . 1 1 5 5 SER CA C 5 57.173 57.173 55.386 1.787 19876 3408 1 6 . 1 1 5 5 SER CB C 5 62.104 62.104 64.354 -2.250 19876 3409 1 6 . 1 1 5 5 SER H H 5 7.759 7.759 7.961 -0.202 19876 3410 1 6 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.544 -0.100 19876 3411 1 6 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.490 1.107 19876 3412 1 6 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.148 -0.100 19876 3413 1 6 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.138 -0.350 19876 3414 1 6 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.057 -0.557 19876 3415 1 6 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.639 -0.058 19876 3416 1 6 . 1 1 9 9 HIS N N 9 118.064 118.064 117.773 0.291 19876 3417 1 6 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.422 -0.140 19876 3418 1 6 . 1 1 9 9 HIS C C 9 176.264 176.264 178.207 -1.943 19876 3419 1 6 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.013 0.030 19876 3420 1 6 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.612 0.777 19876 3421 1 6 . 1 1 9 9 HIS H H 9 7.291 7.291 8.044 -0.753 19876 3422 1 6 . 1 1 10 10 ASP N N 10 122.089 122.089 120.989 1.100 19876 3423 1 6 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.793 -0.210 19876 3424 1 6 . 1 1 10 10 ASP C C 10 177.261 177.261 179.045 -1.784 19876 3425 1 6 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.227 -0.354 19876 3426 1 6 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.843 -0.274 19876 3427 1 6 . 1 1 10 10 ASP H H 10 8.221 8.221 9.151 -0.930 19876 3428 1 6 . 1 1 11 11 VAL N N 11 119.318 119.318 120.824 -1.506 19876 3429 1 6 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.921 -0.434 19876 3430 1 6 . 1 1 11 11 VAL C C 11 175.661 175.661 177.787 -2.126 19876 3431 1 6 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.182 -0.303 19876 3432 1 6 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.632 -0.206 19876 3433 1 6 . 1 1 11 11 VAL H H 11 8.850 8.850 8.680 0.170 19876 3434 1 6 . 1 1 12 12 ALA N N 12 121.749 121.749 122.860 -1.111 19876 3435 1 6 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.786 -0.017 19876 3436 1 6 . 1 1 12 12 ALA C C 12 179.484 179.484 179.666 -0.182 19876 3437 1 6 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.635 -0.367 19876 3438 1 6 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.062 -0.320 19876 3439 1 6 . 1 1 12 12 ALA H H 12 7.676 7.676 8.774 -1.098 19876 3440 1 6 . 1 1 13 13 GLN N N 13 119.544 119.544 118.344 1.200 19876 3441 1 6 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.999 0.008 19876 3442 1 6 . 1 1 13 13 GLN C C 13 176.075 176.075 178.546 -2.471 19876 3443 1 6 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.388 -1.156 19876 3444 1 6 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.546 -0.796 19876 3445 1 6 . 1 1 13 13 GLN H H 13 8.151 8.151 8.672 -0.521 19876 3446 1 6 . 1 1 14 14 LEU N N 14 121.127 121.127 121.453 -0.326 19876 3447 1 6 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.013 -0.457 19876 3448 1 6 . 1 1 14 14 LEU C C 14 176.935 176.935 178.555 -1.620 19876 3449 1 6 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.579 0.145 19876 3450 1 6 . 1 1 14 14 LEU CB C 14 41.687 41.687 40.848 0.839 19876 3451 1 6 . 1 1 14 14 LEU H H 14 7.889 7.889 8.921 -1.032 19876 3452 1 6 . 1 1 15 15 LYS N N 15 120.458 120.458 119.120 1.338 19876 3453 1 6 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.962 -0.300 19876 3454 1 6 . 1 1 15 15 LYS C C 15 176.022 176.022 178.602 -2.580 19876 3455 1 6 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.557 0.481 19876 3456 1 6 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.880 0.331 19876 3457 1 6 . 1 1 15 15 LYS H H 15 8.174 8.174 8.276 -0.102 19876 3458 1 6 . 1 1 16 16 PHE N N 16 119.257 119.257 120.290 -1.033 19876 3459 1 6 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.060 0.127 19876 3460 1 6 . 1 1 16 16 PHE C C 16 177.917 177.917 177.999 -0.082 19876 3461 1 6 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.639 -0.309 19876 3462 1 6 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.607 -0.113 19876 3463 1 6 . 1 1 16 16 PHE H H 16 7.855 7.855 8.638 -0.783 19876 3464 1 6 . 1 1 17 17 LEU N N 17 121.489 121.489 119.938 1.551 19876 3465 1 6 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.862 -0.264 19876 3466 1 6 . 1 1 17 17 LEU C C 17 177.988 177.988 179.134 -1.146 19876 3467 1 6 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.709 -0.747 19876 3468 1 6 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.563 1.135 19876 3469 1 6 . 1 1 17 17 LEU H H 17 8.560 8.560 8.861 -0.301 19876 3470 1 6 . 1 1 18 18 CYS N N 18 116.216 116.216 118.859 -2.643 19876 3471 1 6 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.164 0.071 19876 3472 1 6 . 1 1 18 18 CYS C C 18 176.987 176.987 177.428 -0.441 19876 3473 1 6 . 1 1 18 18 CYS CA C 18 65.574 65.574 64.245 1.329 19876 3474 1 6 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.300 1.004 19876 3475 1 6 . 1 1 18 18 CYS H H 18 8.194 8.194 8.811 -0.617 19876 3476 1 6 . 1 1 19 19 GLU N N 19 123.947 123.947 120.539 3.408 19876 3477 1 6 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.044 -0.159 19876 3478 1 6 . 1 1 19 19 GLU C C 19 176.436 176.436 179.406 -2.970 19876 3479 1 6 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.801 0.085 19876 3480 1 6 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.200 0.081 19876 3481 1 6 . 1 1 19 19 GLU H H 19 8.842 8.842 9.021 -0.179 19876 3482 1 6 . 1 1 20 20 SER N N 20 116.500 116.500 116.374 0.126 19876 3483 1 6 . 1 1 20 20 SER HA H 20 4.056 4.056 4.305 -0.249 19876 3484 1 6 . 1 1 20 20 SER C C 20 174.835 174.835 176.562 -1.727 19876 3485 1 6 . 1 1 20 20 SER CA C 20 61.729 61.729 62.004 -0.275 19876 3486 1 6 . 1 1 20 20 SER CB C 20 62.360 62.360 62.822 -0.462 19876 3487 1 6 . 1 1 20 20 SER H H 20 8.198 8.198 8.827 -0.629 19876 3488 1 6 . 1 1 21 21 LEU N N 21 121.186 121.186 123.433 -2.247 19876 3489 1 6 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.047 -0.136 19876 3490 1 6 . 1 1 21 21 LEU C C 21 175.905 175.905 178.167 -2.262 19876 3491 1 6 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.357 -0.404 19876 3492 1 6 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.016 -0.407 19876 3493 1 6 . 1 1 21 21 LEU H H 21 7.970 7.970 8.386 -0.416 19876 3494 1 6 . 1 1 22 22 TYR N N 22 119.690 119.690 121.007 -1.317 19876 3495 1 6 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.306 0.012 19876 3496 1 6 . 1 1 22 22 TYR C C 22 175.453 175.453 178.040 -2.587 19876 3497 1 6 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.848 1.392 19876 3498 1 6 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.042 -0.899 19876 3499 1 6 . 1 1 22 22 TYR H H 22 7.473 7.473 9.330 -1.857 19876 3500 1 6 . 1 1 23 23 ASP N N 23 118.291 118.291 118.379 -0.088 19876 3501 1 6 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.570 -0.523 19876 3502 1 6 . 1 1 23 23 ASP C C 23 178.796 178.796 178.709 0.087 19876 3503 1 6 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.039 -0.755 19876 3504 1 6 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.095 -1.212 19876 3505 1 6 . 1 1 23 23 ASP H H 23 8.249 8.249 8.542 -0.293 19876 3506 1 6 . 1 1 24 24 GLU N N 24 120.605 120.605 119.742 0.863 19876 3507 1 6 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.908 0.023 19876 3508 1 6 . 1 1 24 24 GLU C C 24 178.457 178.457 179.153 -0.696 19876 3509 1 6 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.600 -1.039 19876 3510 1 6 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.251 -0.329 19876 3511 1 6 . 1 1 24 24 GLU H H 24 8.347 8.347 8.780 -0.433 19876 3512 1 6 . 1 1 25 25 GLY N N 25 111.777 111.777 108.702 3.075 19876 3513 1 6 . 1 1 25 25 GLY C C 25 173.906 173.906 176.455 -2.549 19876 3514 1 6 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.374 0.094 19876 3515 1 6 . 1 1 25 25 GLY H H 25 8.701 8.701 9.036 -0.335 19876 3516 1 6 . 1 1 26 26 ILE N N 26 122.263 122.263 123.501 -1.238 19876 3517 1 6 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.742 0.015 19876 3518 1 6 . 1 1 26 26 ILE C C 26 178.116 178.116 178.455 -0.339 19876 3519 1 6 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.770 -1.539 19876 3520 1 6 . 1 1 26 26 ILE CB C 26 35.688 35.688 37.081 -1.393 19876 3521 1 6 . 1 1 26 26 ILE H H 26 8.717 8.717 8.557 0.160 19876 3522 1 6 . 1 1 27 27 ALA N N 27 122.092 122.092 121.899 0.193 19876 3523 1 6 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.075 -0.115 19876 3524 1 6 . 1 1 27 27 ALA C C 27 178.428 178.428 179.159 -0.731 19876 3525 1 6 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.056 -0.563 19876 3526 1 6 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.444 -0.394 19876 3527 1 6 . 1 1 27 27 ALA H H 27 7.672 7.672 8.563 -0.891 19876 3528 1 6 . 1 1 28 28 THR N N 28 115.031 115.031 113.195 1.836 19876 3529 1 6 . 1 1 28 28 THR HA H 28 3.734 3.734 4.164 -0.430 19876 3530 1 6 . 1 1 28 28 THR C C 28 174.403 174.403 176.385 -1.982 19876 3531 1 6 . 1 1 28 28 THR CA C 28 65.750 65.750 65.142 0.608 19876 3532 1 6 . 1 1 28 28 THR CB C 28 68.530 68.530 69.255 -0.725 19876 3533 1 6 . 1 1 28 28 THR H H 28 7.554 7.554 8.063 -0.509 19876 3534 1 6 . 1 1 29 29 LEU N N 29 121.356 121.356 119.231 2.125 19876 3535 1 6 . 1 1 29 29 LEU HA H 29 3.810 3.810 3.922 -0.113 19876 3536 1 6 . 1 1 29 29 LEU C C 29 176.694 176.694 177.459 -0.765 19876 3537 1 6 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.758 -0.264 19876 3538 1 6 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.987 0.192 19876 3539 1 6 . 1 1 29 29 LEU H H 29 7.580 7.580 8.460 -0.880 19876 3540 1 6 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.345 0.558 19876 3541 1 6 . 1 1 31 31 ASP N N 31 119.983 119.983 120.523 -0.540 19876 3542 1 6 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.950 -0.387 19876 3543 1 6 . 1 1 31 31 ASP C C 31 175.609 175.609 176.721 -1.112 19876 3544 1 6 . 1 1 31 31 ASP CA C 31 53.883 53.883 52.183 1.700 19876 3545 1 6 . 1 1 31 31 ASP CB C 31 41.558 41.558 42.769 -1.211 19876 3546 1 6 . 1 1 31 31 ASP H H 31 8.017 8.017 7.596 0.421 19876 3547 1 6 . 1 1 32 32 SER N N 32 118.027 118.027 121.784 -3.757 19876 3548 1 6 . 1 1 32 32 SER HA H 32 4.191 4.191 4.185 0.006 19876 3549 1 6 . 1 1 32 32 SER C C 32 178.747 178.747 176.063 2.684 19876 3550 1 6 . 1 1 32 32 SER CA C 32 59.247 59.247 61.180 -1.933 19876 3551 1 6 . 1 1 32 32 SER CB C 32 63.224 63.224 63.209 0.015 19876 3552 1 6 . 1 1 32 32 SER H H 32 8.284 8.284 8.919 -0.635 19876 3553 1 6 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.314 0.031 19876 3554 1 6 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.207 -2.178 19876 3555 1 6 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.664 -0.105 19876 3556 1 6 . 1 1 34 34 HIS N N 34 117.885 117.885 113.068 4.817 19876 3557 1 6 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.730 -0.246 19876 3558 1 6 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.806 0.141 19876 3559 1 6 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.020 -0.253 19876 3560 1 6 . 1 1 34 34 HIS H H 34 7.896 7.896 8.300 -0.404 19876 3561 1 6 . 1 1 35 35 GLY N N 35 108.681 108.681 105.546 3.135 19876 3562 1 6 . 1 1 35 35 GLY C C 35 172.466 172.466 174.800 -2.334 19876 3563 1 6 . 1 1 35 35 GLY CA C 35 45.299 45.299 44.469 0.830 19876 3564 1 6 . 1 1 35 35 GLY H H 35 7.864 7.864 7.529 0.335 19876 3565 1 6 . 1 1 36 36 TRP N N 36 120.973 120.973 117.697 3.276 19876 3566 1 6 . 1 1 36 36 TRP HA H 36 4.494 4.494 3.964 0.530 19876 3567 1 6 . 1 1 36 36 TRP C C 36 174.594 174.594 175.226 -0.632 19876 3568 1 6 . 1 1 36 36 TRP CA C 36 57.866 57.866 60.260 -2.393 19876 3569 1 6 . 1 1 36 36 TRP CB C 36 29.587 29.587 28.648 0.939 19876 3570 1 6 . 1 1 36 36 TRP H H 36 7.809 7.809 7.387 0.422 19876 3571 1 6 . 1 1 37 37 VAL N N 37 122.778 122.778 116.005 6.773 19876 3572 1 6 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.237 -0.450 19876 3573 1 6 . 1 1 37 37 VAL C C 37 173.396 173.396 175.858 -2.462 19876 3574 1 6 . 1 1 37 37 VAL CA C 37 61.284 61.284 61.835 -0.551 19876 3575 1 6 . 1 1 37 37 VAL CB C 37 33.534 33.534 31.211 2.323 19876 3576 1 6 . 1 1 37 37 VAL H H 37 7.712 7.712 8.042 -0.330 19876 3577 1 6 . 1 1 38 38 ASN N N 38 121.869 121.869 125.352 -3.483 19876 3578 1 6 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.578 -0.343 19876 3579 1 6 . 1 1 38 38 ASN C C 38 172.186 172.186 173.886 -1.700 19876 3580 1 6 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.963 1.107 19876 3581 1 6 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.125 0.504 19876 3582 1 6 . 1 1 38 38 ASN H H 38 7.768 7.768 8.895 -1.127 19876 3583 1 6 . 1 1 39 39 ASP N N 39 123.332 123.332 126.971 -3.639 19876 3584 1 6 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.515 0.344 19876 3585 1 6 . 1 1 39 39 ASP C C 39 173.301 173.301 176.426 -3.125 19876 3586 1 6 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.206 -1.346 19876 3587 1 6 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.354 -0.646 19876 3588 1 6 . 1 1 39 39 ASP H H 39 8.300 8.300 8.494 -0.194 19876 3589 1 6 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.262 -0.106 19876 3590 1 6 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.585 -0.651 19876 3591 1 6 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.116 0.776 19876 3592 1 6 . 1 1 41 41 THR N N 41 107.824 107.824 107.162 0.662 19876 3593 1 6 . 1 1 41 41 THR HA H 41 4.191 4.191 4.198 -0.007 19876 3594 1 6 . 1 1 41 41 THR C C 41 173.405 173.405 174.732 -1.327 19876 3595 1 6 . 1 1 41 41 THR CA C 41 61.283 61.283 61.773 -0.490 19876 3596 1 6 . 1 1 41 41 THR CB C 41 69.351 69.351 69.334 0.017 19876 3597 1 6 . 1 1 41 41 THR H H 41 7.923 7.923 8.066 -0.143 19876 3598 1 6 . 1 1 42 42 SER N N 42 118.745 118.745 118.047 0.698 19876 3599 1 6 . 1 1 42 42 SER HA H 42 4.187 4.187 4.261 -0.074 19876 3600 1 6 . 1 1 42 42 SER C C 42 172.750 172.750 175.791 -3.041 19876 3601 1 6 . 1 1 42 42 SER CA C 42 58.320 58.320 58.755 -0.435 19876 3602 1 6 . 1 1 42 42 SER CB C 42 64.569 64.569 64.176 0.393 19876 3603 1 6 . 1 1 42 42 SER H H 42 7.705 7.705 7.730 -0.025 19876 3604 1 6 . 1 1 43 43 ALA N N 43 124.591 124.591 129.845 -5.254 19876 3605 1 6 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.890 0.070 19876 3606 1 6 . 1 1 43 43 ALA C C 43 178.795 178.795 179.310 -0.515 19876 3607 1 6 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.157 -0.021 19876 3608 1 6 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.442 -0.298 19876 3609 1 6 . 1 1 43 43 ALA H H 43 8.540 8.540 8.716 -0.176 19876 3610 1 6 . 1 1 44 44 VAL N N 44 115.734 115.734 118.902 -3.168 19876 3611 1 6 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.631 0.088 19876 3612 1 6 . 1 1 44 44 VAL C C 44 176.057 176.057 177.229 -1.172 19876 3613 1 6 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.784 -1.082 19876 3614 1 6 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.929 0.806 19876 3615 1 6 . 1 1 44 44 VAL H H 44 7.836 7.836 8.103 -0.267 19876 3616 1 6 . 1 1 45 45 ASN N N 45 123.038 123.038 118.665 4.373 19876 3617 1 6 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.876 0.168 19876 3618 1 6 . 1 1 45 45 ASN C C 45 176.022 176.022 177.958 -1.936 19876 3619 1 6 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.227 0.608 19876 3620 1 6 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.187 -0.466 19876 3621 1 6 . 1 1 45 45 ASN H H 45 7.709 7.709 7.386 0.323 19876 3622 1 6 . 1 1 46 46 LEU N N 46 122.005 122.005 120.183 1.822 19876 3623 1 6 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.867 0.059 19876 3624 1 6 . 1 1 46 46 LEU C C 46 178.192 178.192 179.010 -0.818 19876 3625 1 6 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.143 -0.100 19876 3626 1 6 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.539 -0.709 19876 3627 1 6 . 1 1 46 46 LEU H H 46 8.239 8.239 8.424 -0.185 19876 3628 1 6 . 1 1 47 47 GLN N N 47 119.394 119.394 119.317 0.077 19876 3629 1 6 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.897 0.074 19876 3630 1 6 . 1 1 47 47 GLN C C 47 177.762 177.762 178.629 -0.867 19876 3631 1 6 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.375 -0.684 19876 3632 1 6 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.636 -0.509 19876 3633 1 6 . 1 1 47 47 GLN H H 47 7.825 7.825 8.123 -0.298 19876 3634 1 6 . 1 1 48 48 LEU N N 48 122.808 122.808 119.541 3.267 19876 3635 1 6 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.736 0.007 19876 3636 1 6 . 1 1 48 48 LEU C C 48 177.366 177.366 178.682 -1.316 19876 3637 1 6 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.863 -0.589 19876 3638 1 6 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.974 0.485 19876 3639 1 6 . 1 1 48 48 LEU H H 48 7.625 7.625 8.723 -1.098 19876 3640 1 6 . 1 1 49 49 ASN N N 49 117.784 117.784 118.317 -0.533 19876 3641 1 6 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.343 -0.057 19876 3642 1 6 . 1 1 49 49 ASN C C 49 176.893 176.893 177.338 -0.445 19876 3643 1 6 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.437 -1.300 19876 3644 1 6 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.376 -0.766 19876 3645 1 6 . 1 1 49 49 ASN H H 49 7.797 7.797 8.118 -0.321 19876 3646 1 6 . 1 1 50 50 ASP N N 50 120.887 120.887 120.935 -0.048 19876 3647 1 6 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.425 -0.121 19876 3648 1 6 . 1 1 50 50 ASP C C 50 177.452 177.452 178.549 -1.097 19876 3649 1 6 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.348 0.039 19876 3650 1 6 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.076 -0.486 19876 3651 1 6 . 1 1 50 50 ASP H H 50 7.868 7.868 8.351 -0.483 19876 3652 1 6 . 1 1 51 51 LEU N N 51 123.117 123.117 120.872 2.245 19876 3653 1 6 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.936 0.222 19876 3654 1 6 . 1 1 51 51 LEU C C 51 177.345 177.345 179.302 -1.957 19876 3655 1 6 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.402 -0.438 19876 3656 1 6 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.329 -0.328 19876 3657 1 6 . 1 1 51 51 LEU H H 51 7.627 7.627 8.455 -0.828 19876 3658 1 6 . 1 1 52 52 ILE N N 52 120.007 120.007 118.761 1.246 19876 3659 1 6 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.539 -0.172 19876 3660 1 6 . 1 1 52 52 ILE C C 52 176.246 176.246 178.304 -2.058 19876 3661 1 6 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.023 0.997 19876 3662 1 6 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.566 0.616 19876 3663 1 6 . 1 1 52 52 ILE H H 52 8.309 8.309 8.856 -0.547 19876 3664 1 6 . 1 1 53 53 GLU N N 53 117.619 117.619 118.260 -0.641 19876 3665 1 6 . 1 1 53 53 GLU HA H 53 3.931 3.931 4.054 -0.123 19876 3666 1 6 . 1 1 53 53 GLU C C 53 178.193 178.193 178.779 -0.586 19876 3667 1 6 . 1 1 53 53 GLU CA C 53 59.453 59.453 58.884 0.569 19876 3668 1 6 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.476 -0.128 19876 3669 1 6 . 1 1 53 53 GLU H H 53 7.965 7.965 7.762 0.203 19876 3670 1 6 . 1 1 54 54 HIS N N 54 120.335 120.335 121.217 -0.882 19876 3671 1 6 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.232 0.080 19876 3672 1 6 . 1 1 54 54 HIS C C 54 177.331 177.331 178.096 -0.765 19876 3673 1 6 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.716 -0.154 19876 3674 1 6 . 1 1 54 54 HIS CB C 54 30.197 30.197 30.078 0.119 19876 3675 1 6 . 1 1 54 54 HIS H H 54 8.117 8.117 8.891 -0.774 19876 3676 1 6 . 1 1 55 55 ILE N N 55 120.694 120.694 118.708 1.986 19876 3677 1 6 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.788 -0.349 19876 3678 1 6 . 1 1 55 55 ILE C C 55 176.281 176.281 177.754 -1.473 19876 3679 1 6 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.076 0.875 19876 3680 1 6 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.825 -0.796 19876 3681 1 6 . 1 1 55 55 ILE H H 55 8.655 8.655 8.894 -0.239 19876 3682 1 6 . 1 1 56 56 ALA N N 56 123.896 123.896 123.933 -0.037 19876 3683 1 6 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.951 -0.190 19876 3684 1 6 . 1 1 56 56 ALA C C 56 179.581 179.581 179.706 -0.125 19876 3685 1 6 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.565 0.047 19876 3686 1 6 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.091 -0.442 19876 3687 1 6 . 1 1 56 56 ALA H H 56 9.063 9.063 8.210 0.853 19876 3688 1 6 . 1 1 57 57 SER N N 57 114.014 114.014 115.446 -1.432 19876 3689 1 6 . 1 1 57 57 SER HA H 57 4.165 4.165 4.228 -0.063 19876 3690 1 6 . 1 1 57 57 SER C C 57 175.540 175.540 176.699 -1.159 19876 3691 1 6 . 1 1 57 57 SER CA C 57 61.491 61.491 61.639 -0.148 19876 3692 1 6 . 1 1 57 57 SER CB C 57 62.640 62.640 63.222 -0.582 19876 3693 1 6 . 1 1 57 57 SER H H 57 7.918 7.918 8.750 -0.832 19876 3694 1 6 . 1 1 58 58 PHE N N 58 125.013 125.013 123.924 1.089 19876 3695 1 6 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.460 -0.442 19876 3696 1 6 . 1 1 58 58 PHE C C 58 177.343 177.343 177.422 -0.079 19876 3697 1 6 . 1 1 58 58 PHE CA C 58 61.676 61.676 59.380 2.296 19876 3698 1 6 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.023 0.161 19876 3699 1 6 . 1 1 58 58 PHE H H 58 8.024 8.024 7.770 0.254 19876 3700 1 6 . 1 1 59 59 VAL N N 59 120.373 120.373 120.456 -0.083 19876 3701 1 6 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.386 0.271 19876 3702 1 6 . 1 1 59 59 VAL C C 59 175.403 175.403 177.700 -2.297 19876 3703 1 6 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.323 -1.221 19876 3704 1 6 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.590 -0.152 19876 3705 1 6 . 1 1 59 59 VAL H H 59 9.263 9.263 8.949 0.314 19876 3706 1 6 . 1 1 60 60 MET N N 60 120.360 120.360 118.435 1.925 19876 3707 1 6 . 1 1 60 60 MET HA H 60 4.002 4.002 3.971 0.031 19876 3708 1 6 . 1 1 60 60 MET C C 60 177.417 177.417 178.247 -0.830 19876 3709 1 6 . 1 1 60 60 MET CA C 60 59.396 59.396 59.838 -0.442 19876 3710 1 6 . 1 1 60 60 MET CB C 60 31.986 31.986 32.502 -0.516 19876 3711 1 6 . 1 1 60 60 MET H H 60 7.826 7.826 8.656 -0.830 19876 3712 1 6 . 1 1 61 61 SER N N 61 113.289 113.289 114.493 -1.204 19876 3713 1 6 . 1 1 61 61 SER HA H 61 4.035 4.035 4.272 -0.237 19876 3714 1 6 . 1 1 61 61 SER CA C 61 61.619 61.619 61.318 0.301 19876 3715 1 6 . 1 1 61 61 SER CB C 61 62.600 62.600 62.883 -0.283 19876 3716 1 6 . 1 1 61 61 SER H H 61 7.230 7.230 7.720 -0.490 19876 3717 1 6 . 1 1 62 62 PHE N N 62 126.395 126.395 124.848 1.547 19876 3718 1 6 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.023 -0.382 19876 3719 1 6 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.333 -0.389 19876 3720 1 6 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.986 1.476 19876 3721 1 6 . 1 1 62 62 PHE H H 62 8.681 8.681 8.472 0.209 19876 3722 1 6 . 1 1 63 63 LYS N N 63 116.676 116.676 117.232 -0.556 19876 3723 1 6 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.189 -0.157 19876 3724 1 6 . 1 1 63 63 LYS C C 63 177.262 177.262 178.755 -1.493 19876 3725 1 6 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.064 -0.376 19876 3726 1 6 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.031 0.818 19876 3727 1 6 . 1 1 63 63 LYS H H 63 8.585 8.585 8.860 -0.275 19876 3728 1 6 . 1 1 64 64 ILE N N 64 117.020 117.020 120.060 -3.040 19876 3729 1 6 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.812 -0.289 19876 3730 1 6 . 1 1 64 64 ILE C C 64 176.151 176.151 177.183 -1.032 19876 3731 1 6 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.888 -0.895 19876 3732 1 6 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.768 0.409 19876 3733 1 6 . 1 1 64 64 ILE H H 64 6.751 6.751 7.677 -0.926 19876 3734 1 6 . 1 1 65 65 LYS N N 65 120.165 120.165 117.728 2.437 19876 3735 1 6 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.938 -0.499 19876 3736 1 6 . 1 1 65 65 LYS C C 65 175.133 175.133 177.247 -2.114 19876 3737 1 6 . 1 1 65 65 LYS CA C 65 58.955 58.955 57.813 1.142 19876 3738 1 6 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.116 -0.159 19876 3739 1 6 . 1 1 65 65 LYS H H 65 7.058 7.058 7.927 -0.869 19876 3740 1 6 . 1 1 66 66 TYR N N 66 115.421 115.421 118.220 -2.799 19876 3741 1 6 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.856 0.032 19876 3742 1 6 . 1 1 66 66 TYR C C 66 173.061 173.061 173.207 -0.146 19876 3743 1 6 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.694 -1.165 19876 3744 1 6 . 1 1 66 66 TYR CB C 66 36.669 36.669 37.030 -0.361 19876 3745 1 6 . 1 1 66 66 TYR H H 66 7.784 7.784 8.283 -0.499 19876 3746 1 6 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.415 -0.058 19876 3747 1 6 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.893 -0.383 19876 3748 1 6 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.200 -0.295 19876 3749 1 6 . 1 1 68 68 ASP N N 68 117.110 117.110 119.909 -2.799 19876 3750 1 6 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.417 0.310 19876 3751 1 6 . 1 1 68 68 ASP C C 68 175.024 175.024 176.328 -1.304 19876 3752 1 6 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.374 -1.631 19876 3753 1 6 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.591 -0.097 19876 3754 1 6 . 1 1 68 68 ASP H H 68 8.548 8.548 8.748 -0.200 19876 3755 1 6 . 1 1 69 69 ASP N N 69 122.994 122.994 117.874 5.120 19876 3756 1 6 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.187 0.804 19876 3757 1 6 . 1 1 69 69 ASP C C 69 174.782 174.782 177.783 -3.001 19876 3758 1 6 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.819 0.496 19876 3759 1 6 . 1 1 69 69 ASP CB C 69 40.163 40.163 39.596 0.567 19876 3760 1 6 . 1 1 69 69 ASP H H 69 7.545 7.545 8.038 -0.493 19876 3761 1 6 . 1 1 70 70 GLY N N 70 107.712 107.712 109.100 -1.388 19876 3762 1 6 . 1 1 70 70 GLY C C 70 173.987 173.987 175.339 -1.352 19876 3763 1 6 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.646 -0.314 19876 3764 1 6 . 1 1 70 70 GLY H H 70 7.879 7.879 8.013 -0.134 19876 3765 1 6 . 1 1 71 71 ASP N N 71 119.785 119.785 121.577 -1.792 19876 3766 1 6 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.417 -0.222 19876 3767 1 6 . 1 1 71 71 ASP C C 71 177.114 177.114 178.127 -1.013 19876 3768 1 6 . 1 1 71 71 ASP CA C 71 57.052 57.052 56.718 0.334 19876 3769 1 6 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.759 -1.414 19876 3770 1 6 . 1 1 71 71 ASP H H 71 8.447 8.447 8.075 0.372 19876 3771 1 6 . 1 1 72 72 LEU N N 72 119.776 119.776 120.283 -0.507 19876 3772 1 6 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.923 -0.056 19876 3773 1 6 . 1 1 72 72 LEU C C 72 176.531 176.531 178.136 -1.605 19876 3774 1 6 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.449 -0.997 19876 3775 1 6 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.743 -0.008 19876 3776 1 6 . 1 1 72 72 LEU H H 72 7.562 7.562 8.310 -0.748 19876 3777 1 6 . 1 1 73 73 SER N N 73 113.964 113.964 115.636 -1.672 19876 3778 1 6 . 1 1 73 73 SER HA H 73 3.605 3.605 4.135 -0.530 19876 3779 1 6 . 1 1 73 73 SER C C 73 174.610 174.610 176.708 -2.098 19876 3780 1 6 . 1 1 73 73 SER CA C 73 62.161 62.161 62.129 0.032 19876 3781 1 6 . 1 1 73 73 SER CB C 73 62.158 62.158 62.940 -0.782 19876 3782 1 6 . 1 1 73 73 SER H H 73 8.050 8.050 7.484 0.566 19876 3783 1 6 . 1 1 74 74 GLU N N 74 119.742 119.742 123.450 -3.708 19876 3784 1 6 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.083 -0.012 19876 3785 1 6 . 1 1 74 74 GLU C C 74 178.089 178.089 178.975 -0.886 19876 3786 1 6 . 1 1 74 74 GLU CA C 74 59.102 59.102 60.098 -0.996 19876 3787 1 6 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.572 -0.359 19876 3788 1 6 . 1 1 74 74 GLU H H 74 8.623 8.623 8.847 -0.224 19876 3789 1 6 . 1 1 75 75 LEU N N 75 122.325 122.325 120.827 1.498 19876 3790 1 6 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.324 -0.081 19876 3791 1 6 . 1 1 75 75 LEU C C 75 177.962 177.962 178.855 -0.893 19876 3792 1 6 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.620 -0.240 19876 3793 1 6 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.415 -0.011 19876 3794 1 6 . 1 1 75 75 LEU H H 75 7.255 7.255 8.765 -1.510 19876 3795 1 6 . 1 1 76 76 VAL N N 76 119.514 119.514 120.337 -0.823 19876 3796 1 6 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.630 -0.043 19876 3797 1 6 . 1 1 76 76 VAL C C 76 176.909 176.909 178.315 -1.406 19876 3798 1 6 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.631 -0.371 19876 3799 1 6 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.496 -0.553 19876 3800 1 6 . 1 1 76 76 VAL H H 76 8.235 8.235 8.070 0.165 19876 3801 1 6 . 1 1 77 77 GLU N N 77 118.692 118.692 119.835 -1.143 19876 3802 1 6 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.926 -0.187 19876 3803 1 6 . 1 1 77 77 GLU C C 77 177.692 177.692 179.269 -1.577 19876 3804 1 6 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.116 0.891 19876 3805 1 6 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.192 -0.035 19876 3806 1 6 . 1 1 77 77 GLU H H 77 8.204 8.204 8.744 -0.540 19876 3807 1 6 . 1 1 78 78 GLU N N 78 121.945 121.945 120.193 1.752 19876 3808 1 6 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.062 -0.034 19876 3809 1 6 . 1 1 78 78 GLU C C 78 176.559 176.559 178.961 -2.402 19876 3810 1 6 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.834 -0.260 19876 3811 1 6 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.663 0.222 19876 3812 1 6 . 1 1 78 78 GLU H H 78 8.058 8.058 8.747 -0.689 19876 3813 1 6 . 1 1 79 79 TYR N N 79 119.945 119.945 121.112 -1.167 19876 3814 1 6 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.226 0.173 19876 3815 1 6 . 1 1 79 79 TYR C C 79 178.365 178.365 178.433 -0.068 19876 3816 1 6 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.892 -0.791 19876 3817 1 6 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.245 0.393 19876 3818 1 6 . 1 1 79 79 TYR H H 79 8.347 8.347 8.663 -0.316 19876 3819 1 6 . 1 1 80 80 LEU N N 80 123.586 123.586 119.166 4.420 19876 3820 1 6 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.862 -0.213 19876 3821 1 6 . 1 1 80 80 LEU C C 80 177.594 177.594 179.258 -1.664 19876 3822 1 6 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.441 0.238 19876 3823 1 6 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.123 -0.481 19876 3824 1 6 . 1 1 80 80 LEU H H 80 9.113 9.113 8.884 0.229 19876 3825 1 6 . 1 1 81 81 ASP N N 81 121.522 121.522 119.229 2.293 19876 3826 1 6 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.349 0.057 19876 3827 1 6 . 1 1 81 81 ASP C C 81 178.021 178.021 178.385 -0.364 19876 3828 1 6 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.036 -0.347 19876 3829 1 6 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.799 -0.157 19876 3830 1 6 . 1 1 81 81 ASP H H 81 8.228 8.228 8.739 -0.511 19876 3831 1 6 . 1 1 82 82 ASP N N 82 120.931 120.931 119.956 0.975 19876 3832 1 6 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.427 -0.005 19876 3833 1 6 . 1 1 82 82 ASP C C 82 178.342 178.342 179.009 -0.667 19876 3834 1 6 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.776 0.131 19876 3835 1 6 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.580 0.253 19876 3836 1 6 . 1 1 82 82 ASP H H 82 9.139 9.139 8.908 0.231 19876 3837 1 6 . 1 1 83 83 THR N N 83 118.686 118.686 118.259 0.427 19876 3838 1 6 . 1 1 83 83 THR HA H 83 3.415 3.415 3.620 -0.205 19876 3839 1 6 . 1 1 83 83 THR C C 83 173.663 173.663 176.304 -2.641 19876 3840 1 6 . 1 1 83 83 THR CA C 83 67.258 67.258 67.100 0.158 19876 3841 1 6 . 1 1 83 83 THR CB C 83 68.017 68.017 69.070 -1.053 19876 3842 1 6 . 1 1 83 83 THR H H 83 8.394 8.394 8.874 -0.480 19876 3843 1 6 . 1 1 84 84 TYR N N 84 122.004 122.004 122.935 -0.931 19876 3844 1 6 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.035 -0.292 19876 3845 1 6 . 1 1 84 84 TYR C C 84 177.983 177.983 177.433 0.550 19876 3846 1 6 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.176 -0.069 19876 3847 1 6 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.408 0.043 19876 3848 1 6 . 1 1 84 84 TYR H H 84 8.561 8.561 8.804 -0.243 19876 3849 1 6 . 1 1 85 85 THR N N 85 116.249 116.249 116.158 0.091 19876 3850 1 6 . 1 1 85 85 THR HA H 85 3.409 3.409 3.740 -0.331 19876 3851 1 6 . 1 1 85 85 THR C C 85 174.628 174.628 176.428 -1.800 19876 3852 1 6 . 1 1 85 85 THR CA C 85 66.483 66.483 66.703 -0.220 19876 3853 1 6 . 1 1 85 85 THR CB C 85 68.604 68.604 68.624 -0.020 19876 3854 1 6 . 1 1 85 85 THR H H 85 8.749 8.749 8.900 -0.151 19876 3855 1 6 . 1 1 86 86 LEU N N 86 121.835 121.835 122.297 -0.462 19876 3856 1 6 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.724 -0.169 19876 3857 1 6 . 1 1 86 86 LEU C C 86 176.057 176.057 178.978 -2.921 19876 3858 1 6 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.594 0.412 19876 3859 1 6 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.596 1.177 19876 3860 1 6 . 1 1 86 86 LEU H H 86 7.257 7.257 8.246 -0.989 19876 3861 1 6 . 1 1 87 87 PHE N N 87 111.264 111.264 116.474 -5.210 19876 3862 1 6 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.101 -0.124 19876 3863 1 6 . 1 1 87 87 PHE C C 87 174.687 174.687 177.814 -3.127 19876 3864 1 6 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.309 0.431 19876 3865 1 6 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.806 0.625 19876 3866 1 6 . 1 1 87 87 PHE H H 87 7.168 7.168 8.196 -1.028 19876 3867 1 6 . 1 1 88 88 SER N N 88 112.848 112.848 113.727 -0.879 19876 3868 1 6 . 1 1 88 88 SER HA H 88 4.207 4.207 4.077 0.130 19876 3869 1 6 . 1 1 88 88 SER C C 88 172.760 172.760 174.245 -1.485 19876 3870 1 6 . 1 1 88 88 SER CA C 88 58.725 58.725 59.924 -1.199 19876 3871 1 6 . 1 1 88 88 SER CB C 88 63.342 63.342 63.244 0.098 19876 3872 1 6 . 1 1 88 88 SER H H 88 7.290 7.290 8.080 -0.790 19876 3873 1 6 . 1 1 89 89 SER N N 89 116.554 116.554 117.432 -0.878 19876 3874 1 6 . 1 1 89 89 SER HA H 89 4.347 4.347 4.442 -0.095 19876 3875 1 6 . 1 1 89 89 SER C C 89 172.251 172.251 173.915 -1.664 19876 3876 1 6 . 1 1 89 89 SER CA C 89 57.597 57.597 57.761 -0.164 19876 3877 1 6 . 1 1 89 89 SER CB C 89 64.426 64.426 63.748 0.678 19876 3878 1 6 . 1 1 89 89 SER H H 89 7.064 7.064 7.281 -0.217 19876 3879 1 6 . 1 1 90 90 TYR N N 90 122.348 122.348 126.600 -4.252 19876 3880 1 6 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.425 -0.082 19876 3881 1 6 . 1 1 90 90 TYR C C 90 175.043 175.043 176.366 -1.323 19876 3882 1 6 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.492 -2.520 19876 3883 1 6 . 1 1 90 90 TYR CB C 90 37.626 37.626 39.123 -1.498 19876 3884 1 6 . 1 1 90 90 TYR H H 90 8.446 8.446 8.703 -0.257 19876 3885 1 6 . 1 1 91 91 GLY N N 91 111.349 111.349 102.936 8.413 19876 3886 1 6 . 1 1 91 91 GLY C C 91 170.874 170.874 173.475 -2.601 19876 3887 1 6 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.443 1.291 19876 3888 1 6 . 1 1 91 91 GLY H H 91 7.820 7.820 7.945 -0.125 19876 3889 1 6 . 1 1 92 92 ILE N N 92 121.703 121.703 121.578 0.125 19876 3890 1 6 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.761 0.117 19876 3891 1 6 . 1 1 92 92 ILE C C 92 173.956 173.956 176.020 -2.064 19876 3892 1 6 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.371 -0.244 19876 3893 1 6 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.285 1.157 19876 3894 1 6 . 1 1 92 92 ILE H H 92 8.032 8.032 8.404 -0.372 19876 3895 1 6 . 1 1 93 93 ASN N N 93 125.791 125.791 127.364 -1.573 19876 3896 1 6 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.825 0.089 19876 3897 1 6 . 1 1 93 93 ASN C C 93 173.468 173.468 176.022 -2.554 19876 3898 1 6 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.492 -1.050 19876 3899 1 6 . 1 1 93 93 ASN CB C 93 40.147 40.147 39.158 0.989 19876 3900 1 6 . 1 1 93 93 ASN H H 93 8.423 8.423 8.367 0.056 19876 3901 1 6 . 1 1 94 94 ASP N N 94 122.019 122.019 126.897 -4.878 19876 3902 1 6 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.444 0.047 19876 3903 1 6 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.192 -0.074 19876 3904 1 6 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.673 0.614 19876 3905 1 6 . 1 1 94 94 ASP H H 94 8.710 8.710 9.029 -0.319 19876 3906 1 6 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.278 -0.124 19876 3907 1 6 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.207 0.347 19876 3908 1 6 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.250 -0.501 19876 3909 1 6 . 1 1 96 96 GLU N N 96 117.965 117.965 118.729 -0.764 19876 3910 1 6 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.075 -0.214 19876 3911 1 6 . 1 1 96 96 GLU C C 96 177.730 177.730 179.112 -1.382 19876 3912 1 6 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.353 -0.471 19876 3913 1 6 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.900 -0.062 19876 3914 1 6 . 1 1 96 96 GLU H H 96 7.954 7.954 8.457 -0.503 19876 3915 1 6 . 1 1 97 97 LEU N N 97 124.427 124.427 121.270 3.157 19876 3916 1 6 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.918 0.191 19876 3917 1 6 . 1 1 97 97 LEU C C 97 177.211 177.211 178.848 -1.637 19876 3918 1 6 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.391 -0.340 19876 3919 1 6 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.739 0.033 19876 3920 1 6 . 1 1 97 97 LEU H H 97 7.825 7.825 8.465 -0.640 19876 3921 1 6 . 1 1 98 98 GLN N N 98 117.195 117.195 118.289 -1.094 19876 3922 1 6 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.045 -0.055 19876 3923 1 6 . 1 1 98 98 GLN C C 98 177.762 177.762 178.922 -1.160 19876 3924 1 6 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.567 0.056 19876 3925 1 6 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.832 0.168 19876 3926 1 6 . 1 1 98 98 GLN H H 98 8.481 8.481 8.839 -0.358 19876 3927 1 6 . 1 1 99 99 ARG N N 99 119.687 119.687 120.596 -0.909 19876 3928 1 6 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.036 -0.114 19876 3929 1 6 . 1 1 99 99 ARG C C 99 176.055 176.055 178.434 -2.379 19876 3930 1 6 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.512 0.101 19876 3931 1 6 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.915 0.407 19876 3932 1 6 . 1 1 99 99 ARG H H 99 7.836 7.836 8.743 -0.907 19876 3933 1 6 . 1 1 100 100 TRP N N 100 119.762 119.762 121.940 -2.178 19876 3934 1 6 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.449 -0.220 19876 3935 1 6 . 1 1 100 100 TRP C C 100 176.004 176.004 178.845 -2.841 19876 3936 1 6 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.641 0.364 19876 3937 1 6 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.019 -0.071 19876 3938 1 6 . 1 1 100 100 TRP H H 100 7.731 7.731 8.973 -1.242 19876 3939 1 6 . 1 1 101 101 GLN N N 101 115.464 115.464 117.416 -1.952 19876 3940 1 6 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.734 -0.249 19876 3941 1 6 . 1 1 101 101 GLN C C 101 177.498 177.498 178.688 -1.190 19876 3942 1 6 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.606 -0.442 19876 3943 1 6 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.047 0.035 19876 3944 1 6 . 1 1 101 101 GLN H H 101 8.277 8.277 8.591 -0.314 19876 3945 1 6 . 1 1 102 102 LYS N N 102 119.856 119.856 120.001 -0.145 19876 3946 1 6 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.186 -0.274 19876 3947 1 6 . 1 1 102 102 LYS C C 102 178.364 178.364 179.302 -0.938 19876 3948 1 6 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.742 -0.563 19876 3949 1 6 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.292 -0.467 19876 3950 1 6 . 1 1 102 102 LYS H H 102 8.047 8.047 8.657 -0.610 19876 3951 1 6 . 1 1 103 103 THR N N 103 121.217 121.217 115.990 5.227 19876 3952 1 6 . 1 1 103 103 THR HA H 103 3.658 3.658 3.879 -0.221 19876 3953 1 6 . 1 1 103 103 THR C C 103 174.266 174.266 176.201 -1.935 19876 3954 1 6 . 1 1 103 103 THR CA C 103 66.206 66.206 67.195 -0.989 19876 3955 1 6 . 1 1 103 103 THR CB C 103 67.515 67.515 68.661 -1.146 19876 3956 1 6 . 1 1 103 103 THR H H 103 8.816 8.816 8.590 0.226 19876 3957 1 6 . 1 1 104 104 LYS N N 104 122.265 122.265 121.108 1.157 19876 3958 1 6 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.338 -0.287 19876 3959 1 6 . 1 1 104 104 LYS C C 104 176.952 176.952 178.669 -1.717 19876 3960 1 6 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.146 1.374 19876 3961 1 6 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.395 -1.055 19876 3962 1 6 . 1 1 104 104 LYS H H 104 8.258 8.258 8.173 0.085 19876 3963 1 6 . 1 1 105 105 GLU N N 105 118.912 118.912 119.537 -0.625 19876 3964 1 6 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.767 -0.169 19876 3965 1 6 . 1 1 105 105 GLU C C 105 178.038 178.038 178.984 -0.946 19876 3966 1 6 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.110 0.408 19876 3967 1 6 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.057 -0.025 19876 3968 1 6 . 1 1 105 105 GLU H H 105 7.963 7.963 8.185 -0.222 19876 3969 1 6 . 1 1 106 106 ARG N N 106 120.201 120.201 120.144 0.057 19876 3970 1 6 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.984 -0.288 19876 3971 1 6 . 1 1 106 106 ARG C C 106 177.744 177.744 179.005 -1.261 19876 3972 1 6 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.048 0.946 19876 3973 1 6 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.020 0.767 19876 3974 1 6 . 1 1 106 106 ARG H H 106 7.940 7.940 8.184 -0.244 19876 3975 1 6 . 1 1 107 107 LEU N N 107 120.982 120.982 120.572 0.410 19876 3976 1 6 . 1 1 107 107 LEU HA H 107 3.745 3.745 4.039 -0.294 19876 3977 1 6 . 1 1 107 107 LEU C C 107 176.173 176.173 178.820 -2.647 19876 3978 1 6 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.088 0.349 19876 3979 1 6 . 1 1 107 107 LEU CB C 107 40.869 40.869 40.758 0.111 19876 3980 1 6 . 1 1 107 107 LEU H H 107 8.242 8.242 8.405 -0.163 19876 3981 1 6 . 1 1 108 108 PHE N N 108 117.793 117.793 118.692 -0.899 19876 3982 1 6 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.218 -0.216 19876 3983 1 6 . 1 1 108 108 PHE C C 108 177.654 177.654 178.264 -0.610 19876 3984 1 6 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.241 -0.052 19876 3985 1 6 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.055 -1.270 19876 3986 1 6 . 1 1 108 108 PHE H H 108 8.772 8.772 8.836 -0.064 19876 3987 1 6 . 1 1 109 109 ARG N N 109 121.726 121.726 119.115 2.611 19876 3988 1 6 . 1 1 109 109 ARG HA H 109 4.006 4.006 3.942 0.064 19876 3989 1 6 . 1 1 109 109 ARG C C 109 177.785 177.785 178.774 -0.989 19876 3990 1 6 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.815 0.527 19876 3991 1 6 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.221 0.577 19876 3992 1 6 . 1 1 109 109 ARG H H 109 7.865 7.865 8.082 -0.217 19876 3993 1 6 . 1 1 110 110 LEU N N 110 121.486 121.486 119.486 2.000 19876 3994 1 6 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.734 0.360 19876 3995 1 6 . 1 1 110 110 LEU C C 110 178.537 178.537 179.484 -0.947 19876 3996 1 6 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.223 -0.382 19876 3997 1 6 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.642 -0.821 19876 3998 1 6 . 1 1 110 110 LEU H H 110 7.338 7.338 7.829 -0.491 19876 3999 1 6 . 1 1 111 111 PHE N N 111 115.883 115.883 118.047 -2.164 19876 4000 1 6 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.128 0.188 19876 4001 1 6 . 1 1 111 111 PHE C C 111 175.369 175.369 177.700 -2.331 19876 4002 1 6 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.024 -1.945 19876 4003 1 6 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.657 -0.146 19876 4004 1 6 . 1 1 111 111 PHE H H 111 7.584 7.584 8.521 -0.937 19876 4005 1 6 . 1 1 112 112 SER N N 112 111.693 111.693 111.496 0.197 19876 4006 1 6 . 1 1 112 112 SER HA H 112 4.329 4.329 4.274 0.055 19876 4007 1 6 . 1 1 112 112 SER C C 112 173.353 173.353 174.717 -1.364 19876 4008 1 6 . 1 1 112 112 SER CA C 112 59.050 59.050 59.157 -0.107 19876 4009 1 6 . 1 1 112 112 SER CB C 112 63.841 63.841 63.488 0.353 19876 4010 1 6 . 1 1 112 112 SER H H 112 7.554 7.554 8.505 -0.951 19876 4011 1 6 . 1 1 113 113 GLY N N 113 109.665 109.665 108.398 1.267 19876 4012 1 6 . 1 1 113 113 GLY C C 113 173.407 173.407 174.883 -1.476 19876 4013 1 6 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.798 0.576 19876 4014 1 6 . 1 1 113 113 GLY H H 113 7.781 7.781 7.561 0.220 19876 4015 1 6 . 1 1 114 114 GLU N N 114 121.028 121.028 122.249 -1.221 19876 4016 1 6 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.952 0.050 19876 4017 1 6 . 1 1 114 114 GLU C C 114 175.971 175.971 177.674 -1.703 19876 4018 1 6 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.514 -0.204 19876 4019 1 6 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.154 1.010 19876 4020 1 6 . 1 1 114 114 GLU H H 114 8.414 8.414 7.924 0.490 19876 4021 1 6 . 1 1 115 115 TYR N N 115 118.828 118.828 115.984 2.844 19876 4022 1 6 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.655 -0.343 19876 4023 1 6 . 1 1 115 115 TYR C C 115 175.248 175.248 178.315 -3.067 19876 4024 1 6 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.325 0.409 19876 4025 1 6 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.495 -0.124 19876 4026 1 6 . 1 1 115 115 TYR H H 115 7.939 7.939 6.926 1.013 19876 4027 1 6 . 1 1 116 116 ILE N N 116 120.412 120.412 121.032 -0.620 19876 4028 1 6 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.681 0.062 19876 4029 1 6 . 1 1 116 116 ILE C C 116 175.591 175.591 178.035 -2.444 19876 4030 1 6 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.460 -2.325 19876 4031 1 6 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.424 0.803 19876 4032 1 6 . 1 1 116 116 ILE H H 116 7.892 7.892 7.701 0.191 19876 4033 1 6 . 1 1 117 117 SER N N 117 117.142 117.142 113.569 3.573 19876 4034 1 6 . 1 1 117 117 SER HA H 117 4.141 4.141 4.069 0.072 19876 4035 1 6 . 1 1 117 117 SER C C 117 174.795 174.795 176.084 -1.289 19876 4036 1 6 . 1 1 117 117 SER CA C 117 60.437 60.437 61.487 -1.050 19876 4037 1 6 . 1 1 117 117 SER CB C 117 62.987 62.987 62.544 0.443 19876 4038 1 6 . 1 1 117 117 SER H H 117 8.127 8.127 8.688 -0.561 19876 4039 1 6 . 1 1 118 118 THR N N 118 115.779 115.779 114.522 1.257 19876 4040 1 6 . 1 1 118 118 THR HA H 118 3.987 3.987 4.124 -0.137 19876 4041 1 6 . 1 1 118 118 THR C C 118 174.025 174.025 175.761 -1.736 19876 4042 1 6 . 1 1 118 118 THR CA C 118 64.026 64.026 64.400 -0.373 19876 4043 1 6 . 1 1 118 118 THR CB C 118 68.953 68.953 69.042 -0.089 19876 4044 1 6 . 1 1 118 118 THR H H 118 7.872 7.872 7.661 0.211 19876 4045 1 6 . 1 1 119 119 LEU N N 119 122.845 122.845 121.564 1.281 19876 4046 1 6 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.212 -0.164 19876 4047 1 6 . 1 1 119 119 LEU C C 119 176.246 176.246 178.394 -2.148 19876 4048 1 6 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.372 -1.291 19876 4049 1 6 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.699 -0.493 19876 4050 1 6 . 1 1 119 119 LEU H H 119 7.679 7.679 7.588 0.091 19876 4051 1 6 . 1 1 120 120 MET N N 120 117.447 117.447 116.569 0.878 19876 4052 1 6 . 1 1 120 120 MET HA H 120 4.243 4.243 4.372 -0.129 19876 4053 1 6 . 1 1 120 120 MET C C 120 174.594 174.594 176.213 -1.619 19876 4054 1 6 . 1 1 120 120 MET CA C 120 55.470 55.470 55.736 -0.266 19876 4055 1 6 . 1 1 120 120 MET CB C 120 32.606 32.606 30.133 2.473 19876 4056 1 6 . 1 1 120 120 MET H H 120 7.812 7.812 8.352 -0.540 19876 4057 1 6 . 1 1 121 121 LYS N N 121 121.578 121.578 122.041 -0.463 19876 4058 1 6 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.226 0.009 19876 4059 1 6 . 1 1 121 121 LYS C C 121 174.539 174.539 177.308 -2.769 19876 4060 1 6 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.164 -1.683 19876 4061 1 6 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.175 -0.209 19876 4062 1 6 . 1 1 121 121 LYS H H 121 7.790 7.790 8.356 -0.566 19876 4063 1 7 . 1 1 2 2 ASP N N 2 122.949 122.949 117.583 5.366 19876 4064 1 7 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.777 -0.333 19876 4065 1 7 . 1 1 2 2 ASP C C 2 174.891 174.891 175.678 -0.787 19876 4066 1 7 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.982 -0.360 19876 4067 1 7 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.561 -0.242 19876 4068 1 7 . 1 1 2 2 ASP H H 2 8.386 8.386 8.530 -0.144 19876 4069 1 7 . 1 1 3 3 GLU N N 3 119.296 119.296 121.666 -2.370 19876 4070 1 7 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.239 -0.375 19876 4071 1 7 . 1 1 3 3 GLU C C 3 175.006 175.006 176.527 -1.521 19876 4072 1 7 . 1 1 3 3 GLU CA C 3 58.073 58.073 56.994 1.079 19876 4073 1 7 . 1 1 3 3 GLU CB C 3 29.567 29.567 28.723 0.844 19876 4074 1 7 . 1 1 3 3 GLU H H 3 8.601 8.601 8.407 0.194 19876 4075 1 7 . 1 1 4 4 TYR N N 4 118.038 118.038 127.292 -9.254 19876 4076 1 7 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.214 0.239 19876 4077 1 7 . 1 1 4 4 TYR C C 4 174.761 174.761 176.278 -1.517 19876 4078 1 7 . 1 1 4 4 TYR CA C 4 57.574 57.574 61.186 -3.612 19876 4079 1 7 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.135 -0.140 19876 4080 1 7 . 1 1 4 4 TYR H H 4 8.049 8.049 8.958 -0.909 19876 4081 1 7 . 1 1 5 5 SER N N 5 118.519 118.519 108.727 9.792 19876 4082 1 7 . 1 1 5 5 SER HA H 5 4.444 4.444 4.701 -0.257 19876 4083 1 7 . 1 1 5 5 SER C C 5 171.907 171.907 172.369 -0.462 19876 4084 1 7 . 1 1 5 5 SER CA C 5 57.173 57.173 58.504 -1.331 19876 4085 1 7 . 1 1 5 5 SER CB C 5 62.104 62.104 62.823 -0.719 19876 4086 1 7 . 1 1 5 5 SER H H 5 7.759 7.759 8.301 -0.542 19876 4087 1 7 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.770 -0.326 19876 4088 1 7 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.703 0.894 19876 4089 1 7 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.852 -0.804 19876 4090 1 7 . 1 1 8 8 ARG HA H 8 3.788 3.788 3.953 -0.165 19876 4091 1 7 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.535 -0.035 19876 4092 1 7 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.056 0.525 19876 4093 1 7 . 1 1 9 9 HIS N N 9 118.064 118.064 119.752 -1.688 19876 4094 1 7 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.217 0.065 19876 4095 1 7 . 1 1 9 9 HIS C C 9 176.264 176.264 177.396 -1.132 19876 4096 1 7 . 1 1 9 9 HIS CA C 9 59.043 59.043 60.312 -1.269 19876 4097 1 7 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.933 0.456 19876 4098 1 7 . 1 1 9 9 HIS H H 9 7.291 7.291 8.171 -0.880 19876 4099 1 7 . 1 1 10 10 ASP N N 10 122.089 122.089 119.983 2.106 19876 4100 1 7 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.730 -0.147 19876 4101 1 7 . 1 1 10 10 ASP C C 10 177.261 177.261 179.241 -1.980 19876 4102 1 7 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.553 0.319 19876 4103 1 7 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.304 0.265 19876 4104 1 7 . 1 1 10 10 ASP H H 10 8.221 8.221 7.785 0.436 19876 4105 1 7 . 1 1 11 11 VAL N N 11 119.318 119.318 120.260 -0.942 19876 4106 1 7 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.747 -0.260 19876 4107 1 7 . 1 1 11 11 VAL C C 11 175.661 175.661 178.215 -2.554 19876 4108 1 7 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.211 0.668 19876 4109 1 7 . 1 1 11 11 VAL CB C 11 31.426 31.426 30.662 0.764 19876 4110 1 7 . 1 1 11 11 VAL H H 11 8.850 8.850 8.603 0.247 19876 4111 1 7 . 1 1 12 12 ALA N N 12 121.749 121.749 122.638 -0.889 19876 4112 1 7 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.505 0.264 19876 4113 1 7 . 1 1 12 12 ALA C C 12 179.484 179.484 178.756 0.728 19876 4114 1 7 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.100 0.168 19876 4115 1 7 . 1 1 12 12 ALA CB C 12 17.742 17.742 17.452 0.290 19876 4116 1 7 . 1 1 12 12 ALA H H 12 7.676 7.676 8.485 -0.809 19876 4117 1 7 . 1 1 13 13 GLN N N 13 119.544 119.544 118.469 1.075 19876 4118 1 7 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.642 0.365 19876 4119 1 7 . 1 1 13 13 GLN C C 13 176.075 176.075 178.622 -2.547 19876 4120 1 7 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.263 -1.031 19876 4121 1 7 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.448 -0.698 19876 4122 1 7 . 1 1 13 13 GLN H H 13 8.151 8.151 8.401 -0.250 19876 4123 1 7 . 1 1 14 14 LEU N N 14 121.127 121.127 120.363 0.764 19876 4124 1 7 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.216 -0.660 19876 4125 1 7 . 1 1 14 14 LEU C C 14 176.935 176.935 178.738 -1.803 19876 4126 1 7 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.893 -0.169 19876 4127 1 7 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.128 0.559 19876 4128 1 7 . 1 1 14 14 LEU H H 14 7.889 7.889 8.659 -0.770 19876 4129 1 7 . 1 1 15 15 LYS N N 15 120.458 120.458 120.322 0.136 19876 4130 1 7 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.043 -0.381 19876 4131 1 7 . 1 1 15 15 LYS C C 15 176.022 176.022 178.733 -2.711 19876 4132 1 7 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.545 1.493 19876 4133 1 7 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.401 0.809 19876 4134 1 7 . 1 1 15 15 LYS H H 15 8.174 8.174 8.181 -0.007 19876 4135 1 7 . 1 1 16 16 PHE N N 16 119.257 119.257 119.345 -0.088 19876 4136 1 7 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.252 -0.065 19876 4137 1 7 . 1 1 16 16 PHE C C 16 177.917 177.917 178.517 -0.600 19876 4138 1 7 . 1 1 16 16 PHE CA C 16 60.330 60.330 59.162 1.168 19876 4139 1 7 . 1 1 16 16 PHE CB C 16 38.494 38.494 37.514 0.980 19876 4140 1 7 . 1 1 16 16 PHE H H 16 7.855 7.855 8.998 -1.143 19876 4141 1 7 . 1 1 17 17 LEU N N 17 121.489 121.489 119.860 1.629 19876 4142 1 7 . 1 1 17 17 LEU HA H 17 3.598 3.598 4.009 -0.411 19876 4143 1 7 . 1 1 17 17 LEU C C 17 177.988 177.988 179.213 -1.225 19876 4144 1 7 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.553 -0.591 19876 4145 1 7 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.534 1.164 19876 4146 1 7 . 1 1 17 17 LEU H H 17 8.560 8.560 8.849 -0.289 19876 4147 1 7 . 1 1 18 18 CYS N N 18 116.216 116.216 118.311 -2.095 19876 4148 1 7 . 1 1 18 18 CYS HA H 18 4.235 4.235 3.849 0.386 19876 4149 1 7 . 1 1 18 18 CYS C C 18 176.987 176.987 177.663 -0.676 19876 4150 1 7 . 1 1 18 18 CYS CA C 18 65.574 65.574 62.972 2.602 19876 4151 1 7 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.224 1.080 19876 4152 1 7 . 1 1 18 18 CYS H H 18 8.194 8.194 8.254 -0.060 19876 4153 1 7 . 1 1 19 19 GLU N N 19 123.947 123.947 121.186 2.761 19876 4154 1 7 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.246 -0.361 19876 4155 1 7 . 1 1 19 19 GLU C C 19 176.436 176.436 179.525 -3.089 19876 4156 1 7 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.727 0.160 19876 4157 1 7 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.544 -0.263 19876 4158 1 7 . 1 1 19 19 GLU H H 19 8.842 8.842 8.902 -0.060 19876 4159 1 7 . 1 1 20 20 SER N N 20 116.500 116.500 116.847 -0.347 19876 4160 1 7 . 1 1 20 20 SER HA H 20 4.056 4.056 4.145 -0.089 19876 4161 1 7 . 1 1 20 20 SER C C 20 174.835 174.835 176.641 -1.806 19876 4162 1 7 . 1 1 20 20 SER CA C 20 61.729 61.729 61.734 -0.005 19876 4163 1 7 . 1 1 20 20 SER CB C 20 62.360 62.360 63.308 -0.948 19876 4164 1 7 . 1 1 20 20 SER H H 20 8.198 8.198 8.692 -0.494 19876 4165 1 7 . 1 1 21 21 LEU N N 21 121.186 121.186 121.651 -0.465 19876 4166 1 7 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.096 -0.185 19876 4167 1 7 . 1 1 21 21 LEU C C 21 175.905 175.905 178.540 -2.635 19876 4168 1 7 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.000 -0.047 19876 4169 1 7 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.874 -0.265 19876 4170 1 7 . 1 1 21 21 LEU H H 21 7.970 7.970 8.126 -0.156 19876 4171 1 7 . 1 1 22 22 TYR N N 22 119.690 119.690 119.627 0.063 19876 4172 1 7 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.150 0.168 19876 4173 1 7 . 1 1 22 22 TYR C C 22 175.453 175.453 178.284 -2.831 19876 4174 1 7 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.606 1.634 19876 4175 1 7 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.730 -0.587 19876 4176 1 7 . 1 1 22 22 TYR H H 22 7.473 7.473 7.982 -0.509 19876 4177 1 7 . 1 1 23 23 ASP N N 23 118.291 118.291 118.480 -0.189 19876 4178 1 7 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.604 -0.557 19876 4179 1 7 . 1 1 23 23 ASP C C 23 178.796 178.796 178.799 -0.003 19876 4180 1 7 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.887 -0.603 19876 4181 1 7 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.027 -1.144 19876 4182 1 7 . 1 1 23 23 ASP H H 23 8.249 8.249 8.287 -0.038 19876 4183 1 7 . 1 1 24 24 GLU N N 24 120.605 120.605 119.521 1.084 19876 4184 1 7 . 1 1 24 24 GLU HA H 24 3.931 3.931 4.084 -0.153 19876 4185 1 7 . 1 1 24 24 GLU C C 24 178.457 178.457 179.452 -0.995 19876 4186 1 7 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.085 -0.524 19876 4187 1 7 . 1 1 24 24 GLU CB C 24 28.922 28.922 28.843 0.079 19876 4188 1 7 . 1 1 24 24 GLU H H 24 8.347 8.347 8.254 0.093 19876 4189 1 7 . 1 1 25 25 GLY N N 25 111.777 111.777 109.357 2.420 19876 4190 1 7 . 1 1 25 25 GLY C C 25 173.906 173.906 176.343 -2.437 19876 4191 1 7 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.345 0.123 19876 4192 1 7 . 1 1 25 25 GLY H H 25 8.701 8.701 8.863 -0.162 19876 4193 1 7 . 1 1 26 26 ILE N N 26 122.263 122.263 123.684 -1.421 19876 4194 1 7 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.801 -0.044 19876 4195 1 7 . 1 1 26 26 ILE C C 26 178.116 178.116 178.356 -0.240 19876 4196 1 7 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.376 -1.145 19876 4197 1 7 . 1 1 26 26 ILE CB C 26 35.688 35.688 37.009 -1.321 19876 4198 1 7 . 1 1 26 26 ILE H H 26 8.717 8.717 8.147 0.570 19876 4199 1 7 . 1 1 27 27 ALA N N 27 122.092 122.092 122.138 -0.046 19876 4200 1 7 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.061 -0.101 19876 4201 1 7 . 1 1 27 27 ALA C C 27 178.428 178.428 178.806 -0.378 19876 4202 1 7 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.095 -0.602 19876 4203 1 7 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.586 -0.536 19876 4204 1 7 . 1 1 27 27 ALA H H 27 7.672 7.672 8.620 -0.948 19876 4205 1 7 . 1 1 28 28 THR N N 28 115.031 115.031 112.909 2.122 19876 4206 1 7 . 1 1 28 28 THR HA H 28 3.734 3.734 4.326 -0.592 19876 4207 1 7 . 1 1 28 28 THR C C 28 174.403 174.403 176.137 -1.734 19876 4208 1 7 . 1 1 28 28 THR CA C 28 65.750 65.750 64.992 0.758 19876 4209 1 7 . 1 1 28 28 THR CB C 28 68.530 68.530 69.510 -0.980 19876 4210 1 7 . 1 1 28 28 THR H H 28 7.554 7.554 7.737 -0.183 19876 4211 1 7 . 1 1 29 29 LEU N N 29 121.356 121.356 119.704 1.652 19876 4212 1 7 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.244 -0.434 19876 4213 1 7 . 1 1 29 29 LEU C C 29 176.694 176.694 177.795 -1.101 19876 4214 1 7 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.454 0.040 19876 4215 1 7 . 1 1 29 29 LEU CB C 29 42.179 42.179 42.213 -0.034 19876 4216 1 7 . 1 1 29 29 LEU H H 29 7.580 7.580 8.394 -0.814 19876 4217 1 7 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.554 0.349 19876 4218 1 7 . 1 1 31 31 ASP N N 31 119.983 119.983 125.729 -5.746 19876 4219 1 7 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.787 -0.224 19876 4220 1 7 . 1 1 31 31 ASP C C 31 175.609 175.609 176.401 -0.792 19876 4221 1 7 . 1 1 31 31 ASP CA C 31 53.883 53.883 52.920 0.963 19876 4222 1 7 . 1 1 31 31 ASP CB C 31 41.558 41.558 39.754 1.804 19876 4223 1 7 . 1 1 31 31 ASP H H 31 8.017 8.017 8.002 0.015 19876 4224 1 7 . 1 1 32 32 SER N N 32 118.027 118.027 118.971 -0.944 19876 4225 1 7 . 1 1 32 32 SER HA H 32 4.191 4.191 4.327 -0.136 19876 4226 1 7 . 1 1 32 32 SER C C 32 178.747 178.747 175.656 3.091 19876 4227 1 7 . 1 1 32 32 SER CA C 32 59.247 59.247 60.012 -0.765 19876 4228 1 7 . 1 1 32 32 SER CB C 32 63.224 63.224 63.450 -0.226 19876 4229 1 7 . 1 1 32 32 SER H H 32 8.284 8.284 8.546 -0.261 19876 4230 1 7 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.442 -0.097 19876 4231 1 7 . 1 1 33 33 HIS CA C 33 57.029 57.029 58.654 -1.625 19876 4232 1 7 . 1 1 33 33 HIS CB C 33 29.559 29.559 30.418 -0.859 19876 4233 1 7 . 1 1 34 34 HIS N N 34 117.885 117.885 114.450 3.435 19876 4234 1 7 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.690 -0.206 19876 4235 1 7 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.512 0.435 19876 4236 1 7 . 1 1 34 34 HIS CB C 34 29.767 29.767 32.657 -2.890 19876 4237 1 7 . 1 1 34 34 HIS H H 34 7.896 7.896 8.891 -0.995 19876 4238 1 7 . 1 1 35 35 GLY N N 35 108.681 108.681 108.657 0.024 19876 4239 1 7 . 1 1 35 35 GLY C C 35 172.466 172.466 174.600 -2.134 19876 4240 1 7 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.776 -0.478 19876 4241 1 7 . 1 1 35 35 GLY H H 35 7.864 7.864 8.216 -0.352 19876 4242 1 7 . 1 1 36 36 TRP N N 36 120.973 120.973 119.017 1.956 19876 4243 1 7 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.514 -0.020 19876 4244 1 7 . 1 1 36 36 TRP C C 36 174.594 174.594 176.558 -1.964 19876 4245 1 7 . 1 1 36 36 TRP CA C 36 57.866 57.866 56.889 0.977 19876 4246 1 7 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.408 -0.821 19876 4247 1 7 . 1 1 36 36 TRP H H 36 7.809 7.809 8.110 -0.301 19876 4248 1 7 . 1 1 37 37 VAL N N 37 122.778 122.778 117.135 5.643 19876 4249 1 7 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.090 -0.303 19876 4250 1 7 . 1 1 37 37 VAL C C 37 173.396 173.396 175.062 -1.666 19876 4251 1 7 . 1 1 37 37 VAL CA C 37 61.284 61.284 61.919 -0.635 19876 4252 1 7 . 1 1 37 37 VAL CB C 37 33.534 33.534 32.835 0.699 19876 4253 1 7 . 1 1 37 37 VAL H H 37 7.712 7.712 8.359 -0.647 19876 4254 1 7 . 1 1 38 38 ASN N N 38 121.869 121.869 119.704 2.165 19876 4255 1 7 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.785 -0.550 19876 4256 1 7 . 1 1 38 38 ASN C C 38 172.186 172.186 174.548 -2.362 19876 4257 1 7 . 1 1 38 38 ASN CA C 38 54.070 54.070 53.367 0.703 19876 4258 1 7 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.373 0.256 19876 4259 1 7 . 1 1 38 38 ASN H H 38 7.768 7.768 9.064 -1.296 19876 4260 1 7 . 1 1 39 39 ASP N N 39 123.332 123.332 122.249 1.083 19876 4261 1 7 . 1 1 39 39 ASP HA H 39 4.859 4.859 5.082 -0.223 19876 4262 1 7 . 1 1 39 39 ASP C C 39 173.301 173.301 175.575 -2.274 19876 4263 1 7 . 1 1 39 39 ASP CA C 39 49.860 49.860 50.596 -0.736 19876 4264 1 7 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.917 -0.209 19876 4265 1 7 . 1 1 39 39 ASP H H 39 8.300 8.300 8.707 -0.407 19876 4266 1 7 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.383 -0.227 19876 4267 1 7 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.441 -0.507 19876 4268 1 7 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.114 0.778 19876 4269 1 7 . 1 1 41 41 THR N N 41 107.824 107.824 106.125 1.699 19876 4270 1 7 . 1 1 41 41 THR HA H 41 4.191 4.191 4.267 -0.076 19876 4271 1 7 . 1 1 41 41 THR C C 41 173.405 173.405 174.900 -1.495 19876 4272 1 7 . 1 1 41 41 THR CA C 41 61.283 61.283 61.539 -0.256 19876 4273 1 7 . 1 1 41 41 THR CB C 41 69.351 69.351 69.343 0.008 19876 4274 1 7 . 1 1 41 41 THR H H 41 7.923 7.923 7.871 0.052 19876 4275 1 7 . 1 1 42 42 SER N N 42 118.745 118.745 118.642 0.103 19876 4276 1 7 . 1 1 42 42 SER HA H 42 4.187 4.187 4.314 -0.127 19876 4277 1 7 . 1 1 42 42 SER C C 42 172.750 172.750 175.698 -2.948 19876 4278 1 7 . 1 1 42 42 SER CA C 42 58.320 58.320 57.732 0.588 19876 4279 1 7 . 1 1 42 42 SER CB C 42 64.569 64.569 64.406 0.163 19876 4280 1 7 . 1 1 42 42 SER H H 42 7.705 7.705 7.661 0.044 19876 4281 1 7 . 1 1 43 43 ALA N N 43 124.591 124.591 128.574 -3.983 19876 4282 1 7 . 1 1 43 43 ALA HA H 43 3.960 3.960 4.018 -0.058 19876 4283 1 7 . 1 1 43 43 ALA C C 43 178.795 178.795 179.167 -0.372 19876 4284 1 7 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.202 -0.066 19876 4285 1 7 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.115 0.029 19876 4286 1 7 . 1 1 43 43 ALA H H 43 8.540 8.540 8.783 -0.243 19876 4287 1 7 . 1 1 44 44 VAL N N 44 115.734 115.734 116.669 -0.935 19876 4288 1 7 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.557 0.162 19876 4289 1 7 . 1 1 44 44 VAL C C 44 176.057 176.057 178.051 -1.994 19876 4290 1 7 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.793 -1.091 19876 4291 1 7 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.884 0.851 19876 4292 1 7 . 1 1 44 44 VAL H H 44 7.836 7.836 7.958 -0.122 19876 4293 1 7 . 1 1 45 45 ASN N N 45 123.038 123.038 118.655 4.383 19876 4294 1 7 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.957 0.087 19876 4295 1 7 . 1 1 45 45 ASN C C 45 176.022 176.022 177.693 -1.671 19876 4296 1 7 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.045 0.790 19876 4297 1 7 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.413 -0.692 19876 4298 1 7 . 1 1 45 45 ASN H H 45 7.709 7.709 7.448 0.261 19876 4299 1 7 . 1 1 46 46 LEU N N 46 122.005 122.005 120.945 1.060 19876 4300 1 7 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.798 0.128 19876 4301 1 7 . 1 1 46 46 LEU C C 46 178.192 178.192 179.011 -0.819 19876 4302 1 7 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.468 -0.425 19876 4303 1 7 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.399 -0.569 19876 4304 1 7 . 1 1 46 46 LEU H H 46 8.239 8.239 8.606 -0.367 19876 4305 1 7 . 1 1 47 47 GLN N N 47 119.394 119.394 118.216 1.178 19876 4306 1 7 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.928 0.043 19876 4307 1 7 . 1 1 47 47 GLN C C 47 177.762 177.762 179.115 -1.353 19876 4308 1 7 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.264 -0.573 19876 4309 1 7 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.714 -0.587 19876 4310 1 7 . 1 1 47 47 GLN H H 47 7.825 7.825 8.597 -0.772 19876 4311 1 7 . 1 1 48 48 LEU N N 48 122.808 122.808 119.899 2.909 19876 4312 1 7 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.918 -0.175 19876 4313 1 7 . 1 1 48 48 LEU C C 48 177.366 177.366 178.541 -1.175 19876 4314 1 7 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.954 -0.680 19876 4315 1 7 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.476 -0.017 19876 4316 1 7 . 1 1 48 48 LEU H H 48 7.625 7.625 8.332 -0.707 19876 4317 1 7 . 1 1 49 49 ASN N N 49 117.784 117.784 117.527 0.257 19876 4318 1 7 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.374 -0.088 19876 4319 1 7 . 1 1 49 49 ASN C C 49 176.893 176.893 177.239 -0.346 19876 4320 1 7 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.146 -0.010 19876 4321 1 7 . 1 1 49 49 ASN CB C 49 37.610 37.610 37.529 0.081 19876 4322 1 7 . 1 1 49 49 ASN H H 49 7.797 7.797 8.546 -0.749 19876 4323 1 7 . 1 1 50 50 ASP N N 50 120.887 120.887 121.355 -0.468 19876 4324 1 7 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.447 -0.143 19876 4325 1 7 . 1 1 50 50 ASP C C 50 177.452 177.452 178.445 -0.993 19876 4326 1 7 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.580 -0.193 19876 4327 1 7 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.923 -0.333 19876 4328 1 7 . 1 1 50 50 ASP H H 50 7.868 7.868 8.696 -0.828 19876 4329 1 7 . 1 1 51 51 LEU N N 51 123.117 123.117 119.173 3.944 19876 4330 1 7 . 1 1 51 51 LEU HA H 51 4.158 4.158 4.259 -0.101 19876 4331 1 7 . 1 1 51 51 LEU C C 51 177.345 177.345 178.800 -1.455 19876 4332 1 7 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.279 -0.315 19876 4333 1 7 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.268 -0.267 19876 4334 1 7 . 1 1 51 51 LEU H H 51 7.627 7.627 8.089 -0.462 19876 4335 1 7 . 1 1 52 52 ILE N N 52 120.007 120.007 120.861 -0.854 19876 4336 1 7 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.560 -0.193 19876 4337 1 7 . 1 1 52 52 ILE C C 52 176.246 176.246 178.251 -2.005 19876 4338 1 7 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.350 0.669 19876 4339 1 7 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.542 0.640 19876 4340 1 7 . 1 1 52 52 ILE H H 52 8.309 8.309 8.960 -0.651 19876 4341 1 7 . 1 1 53 53 GLU N N 53 117.619 117.619 119.029 -1.410 19876 4342 1 7 . 1 1 53 53 GLU HA H 53 3.931 3.931 4.036 -0.105 19876 4343 1 7 . 1 1 53 53 GLU C C 53 178.193 178.193 178.968 -0.775 19876 4344 1 7 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.732 -0.279 19876 4345 1 7 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.471 -0.124 19876 4346 1 7 . 1 1 53 53 GLU H H 53 7.965 7.965 8.289 -0.324 19876 4347 1 7 . 1 1 54 54 HIS N N 54 120.335 120.335 121.568 -1.233 19876 4348 1 7 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.450 -0.138 19876 4349 1 7 . 1 1 54 54 HIS C C 54 177.331 177.331 178.215 -0.884 19876 4350 1 7 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.028 0.534 19876 4351 1 7 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.673 0.524 19876 4352 1 7 . 1 1 54 54 HIS H H 54 8.117 8.117 8.339 -0.222 19876 4353 1 7 . 1 1 55 55 ILE N N 55 120.694 120.694 119.584 1.110 19876 4354 1 7 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.873 -0.434 19876 4355 1 7 . 1 1 55 55 ILE C C 55 176.281 176.281 177.824 -1.543 19876 4356 1 7 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.393 0.558 19876 4357 1 7 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.489 -0.459 19876 4358 1 7 . 1 1 55 55 ILE H H 55 8.655 8.655 8.949 -0.294 19876 4359 1 7 . 1 1 56 56 ALA N N 56 123.896 123.896 124.094 -0.198 19876 4360 1 7 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.926 -0.165 19876 4361 1 7 . 1 1 56 56 ALA C C 56 179.581 179.581 179.519 0.062 19876 4362 1 7 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.671 -0.059 19876 4363 1 7 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.199 -0.550 19876 4364 1 7 . 1 1 56 56 ALA H H 56 9.063 9.063 8.615 0.448 19876 4365 1 7 . 1 1 57 57 SER N N 57 114.014 114.014 115.373 -1.359 19876 4366 1 7 . 1 1 57 57 SER HA H 57 4.165 4.165 4.225 -0.060 19876 4367 1 7 . 1 1 57 57 SER C C 57 175.540 175.540 176.809 -1.269 19876 4368 1 7 . 1 1 57 57 SER CA C 57 61.491 61.491 60.988 0.503 19876 4369 1 7 . 1 1 57 57 SER CB C 57 62.640 62.640 63.196 -0.556 19876 4370 1 7 . 1 1 57 57 SER H H 57 7.918 7.918 8.724 -0.806 19876 4371 1 7 . 1 1 58 58 PHE N N 58 125.013 125.013 125.389 -0.376 19876 4372 1 7 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.810 -0.792 19876 4373 1 7 . 1 1 58 58 PHE C C 58 177.343 177.343 178.006 -0.663 19876 4374 1 7 . 1 1 58 58 PHE CA C 58 61.676 61.676 59.164 2.512 19876 4375 1 7 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.753 0.431 19876 4376 1 7 . 1 1 58 58 PHE H H 58 8.024 8.024 8.691 -0.667 19876 4377 1 7 . 1 1 59 59 VAL N N 59 120.373 120.373 120.390 -0.017 19876 4378 1 7 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.421 0.236 19876 4379 1 7 . 1 1 59 59 VAL C C 59 175.403 175.403 178.395 -2.992 19876 4380 1 7 . 1 1 59 59 VAL CA C 59 66.102 66.102 66.985 -0.883 19876 4381 1 7 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.602 -0.164 19876 4382 1 7 . 1 1 59 59 VAL H H 59 9.263 9.263 8.997 0.266 19876 4383 1 7 . 1 1 60 60 MET N N 60 120.360 120.360 119.561 0.799 19876 4384 1 7 . 1 1 60 60 MET HA H 60 4.002 4.002 3.931 0.071 19876 4385 1 7 . 1 1 60 60 MET C C 60 177.417 177.417 178.752 -1.335 19876 4386 1 7 . 1 1 60 60 MET CA C 60 59.396 59.396 59.861 -0.465 19876 4387 1 7 . 1 1 60 60 MET CB C 60 31.986 31.986 32.705 -0.719 19876 4388 1 7 . 1 1 60 60 MET H H 60 7.826 7.826 8.883 -1.057 19876 4389 1 7 . 1 1 61 61 SER N N 61 113.289 113.289 114.777 -1.488 19876 4390 1 7 . 1 1 61 61 SER HA H 61 4.035 4.035 4.216 -0.181 19876 4391 1 7 . 1 1 61 61 SER CA C 61 61.619 61.619 61.049 0.570 19876 4392 1 7 . 1 1 61 61 SER CB C 61 62.600 62.600 63.211 -0.611 19876 4393 1 7 . 1 1 61 61 SER H H 61 7.230 7.230 8.467 -1.237 19876 4394 1 7 . 1 1 62 62 PHE N N 62 126.395 126.395 125.036 1.359 19876 4395 1 7 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.161 -0.520 19876 4396 1 7 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.476 -0.532 19876 4397 1 7 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.864 1.599 19876 4398 1 7 . 1 1 62 62 PHE H H 62 8.681 8.681 8.779 -0.098 19876 4399 1 7 . 1 1 63 63 LYS N N 63 116.676 116.676 116.511 0.165 19876 4400 1 7 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.068 -0.036 19876 4401 1 7 . 1 1 63 63 LYS C C 63 177.262 177.262 178.317 -1.055 19876 4402 1 7 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.200 -0.512 19876 4403 1 7 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.063 0.786 19876 4404 1 7 . 1 1 63 63 LYS H H 63 8.585 8.585 8.589 -0.004 19876 4405 1 7 . 1 1 64 64 ILE N N 64 117.020 117.020 117.078 -0.058 19876 4406 1 7 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.878 -0.355 19876 4407 1 7 . 1 1 64 64 ILE C C 64 176.151 176.151 177.407 -1.256 19876 4408 1 7 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.323 -0.330 19876 4409 1 7 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.265 -0.088 19876 4410 1 7 . 1 1 64 64 ILE H H 64 6.751 6.751 7.445 -0.694 19876 4411 1 7 . 1 1 65 65 LYS N N 65 120.165 120.165 118.270 1.895 19876 4412 1 7 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.056 -0.617 19876 4413 1 7 . 1 1 65 65 LYS C C 65 175.133 175.133 176.998 -1.865 19876 4414 1 7 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.658 0.297 19876 4415 1 7 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.917 0.040 19876 4416 1 7 . 1 1 65 65 LYS H H 65 7.058 7.058 8.065 -1.007 19876 4417 1 7 . 1 1 66 66 TYR N N 66 115.421 115.421 120.701 -5.280 19876 4418 1 7 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.847 0.041 19876 4419 1 7 . 1 1 66 66 TYR C C 66 173.061 173.061 173.059 0.002 19876 4420 1 7 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.662 -1.133 19876 4421 1 7 . 1 1 66 66 TYR CB C 66 36.669 36.669 42.040 -5.371 19876 4422 1 7 . 1 1 66 66 TYR H H 66 7.784 7.784 8.294 -0.510 19876 4423 1 7 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.651 -0.294 19876 4424 1 7 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.641 0.869 19876 4425 1 7 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.259 -0.354 19876 4426 1 7 . 1 1 68 68 ASP N N 68 117.110 117.110 120.659 -3.549 19876 4427 1 7 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.384 0.343 19876 4428 1 7 . 1 1 68 68 ASP C C 68 175.024 175.024 176.279 -1.255 19876 4429 1 7 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.784 -1.041 19876 4430 1 7 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.689 -0.195 19876 4431 1 7 . 1 1 68 68 ASP H H 68 8.548 8.548 8.132 0.416 19876 4432 1 7 . 1 1 69 69 ASP N N 69 122.994 122.994 115.587 7.407 19876 4433 1 7 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.410 0.581 19876 4434 1 7 . 1 1 69 69 ASP C C 69 174.782 174.782 177.642 -2.860 19876 4435 1 7 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.709 0.606 19876 4436 1 7 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.431 -0.268 19876 4437 1 7 . 1 1 69 69 ASP H H 69 7.545 7.545 8.193 -0.648 19876 4438 1 7 . 1 1 70 70 GLY N N 70 107.712 107.712 109.256 -1.544 19876 4439 1 7 . 1 1 70 70 GLY C C 70 173.987 173.987 175.547 -1.560 19876 4440 1 7 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.797 -0.465 19876 4441 1 7 . 1 1 70 70 GLY H H 70 7.879 7.879 7.599 0.280 19876 4442 1 7 . 1 1 71 71 ASP N N 71 119.785 119.785 120.052 -0.267 19876 4443 1 7 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.350 -0.155 19876 4444 1 7 . 1 1 71 71 ASP C C 71 177.114 177.114 177.782 -0.668 19876 4445 1 7 . 1 1 71 71 ASP CA C 71 57.052 57.052 56.577 0.475 19876 4446 1 7 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.630 -1.285 19876 4447 1 7 . 1 1 71 71 ASP H H 71 8.447 8.447 7.926 0.521 19876 4448 1 7 . 1 1 72 72 LEU N N 72 119.776 119.776 120.522 -0.746 19876 4449 1 7 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.801 0.066 19876 4450 1 7 . 1 1 72 72 LEU C C 72 176.531 176.531 178.314 -1.783 19876 4451 1 7 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.110 -0.658 19876 4452 1 7 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.694 0.041 19876 4453 1 7 . 1 1 72 72 LEU H H 72 7.562 7.562 7.789 -0.227 19876 4454 1 7 . 1 1 73 73 SER N N 73 113.964 113.964 114.510 -0.546 19876 4455 1 7 . 1 1 73 73 SER HA H 73 3.605 3.605 3.877 -0.272 19876 4456 1 7 . 1 1 73 73 SER C C 73 174.610 174.610 176.474 -1.864 19876 4457 1 7 . 1 1 73 73 SER CA C 73 62.161 62.161 62.355 -0.194 19876 4458 1 7 . 1 1 73 73 SER CB C 73 62.158 62.158 62.687 -0.529 19876 4459 1 7 . 1 1 73 73 SER H H 73 8.050 8.050 8.681 -0.631 19876 4460 1 7 . 1 1 74 74 GLU N N 74 119.742 119.742 122.172 -2.430 19876 4461 1 7 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.043 0.028 19876 4462 1 7 . 1 1 74 74 GLU C C 74 178.089 178.089 178.838 -0.749 19876 4463 1 7 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.236 -0.134 19876 4464 1 7 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.355 -0.142 19876 4465 1 7 . 1 1 74 74 GLU H H 74 8.623 8.623 7.618 1.005 19876 4466 1 7 . 1 1 75 75 LEU N N 75 122.325 122.325 122.134 0.191 19876 4467 1 7 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.038 0.205 19876 4468 1 7 . 1 1 75 75 LEU C C 75 177.962 177.962 179.003 -1.041 19876 4469 1 7 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.771 -0.391 19876 4470 1 7 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.306 0.098 19876 4471 1 7 . 1 1 75 75 LEU H H 75 7.255 7.255 8.435 -1.180 19876 4472 1 7 . 1 1 76 76 VAL N N 76 119.514 119.514 119.718 -0.204 19876 4473 1 7 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.704 -0.117 19876 4474 1 7 . 1 1 76 76 VAL C C 76 176.909 176.909 178.626 -1.717 19876 4475 1 7 . 1 1 76 76 VAL CA C 76 67.260 67.260 66.911 0.349 19876 4476 1 7 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.566 0.377 19876 4477 1 7 . 1 1 76 76 VAL H H 76 8.235 8.235 8.908 -0.673 19876 4478 1 7 . 1 1 77 77 GLU N N 77 118.692 118.692 120.061 -1.369 19876 4479 1 7 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.898 -0.159 19876 4480 1 7 . 1 1 77 77 GLU C C 77 177.692 177.692 179.286 -1.594 19876 4481 1 7 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.404 0.603 19876 4482 1 7 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.302 -0.145 19876 4483 1 7 . 1 1 77 77 GLU H H 77 8.204 8.204 8.672 -0.468 19876 4484 1 7 . 1 1 78 78 GLU N N 78 121.945 121.945 120.231 1.714 19876 4485 1 7 . 1 1 78 78 GLU HA H 78 4.028 4.028 3.958 0.070 19876 4486 1 7 . 1 1 78 78 GLU C C 78 176.559 176.559 178.842 -2.283 19876 4487 1 7 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.918 -0.344 19876 4488 1 7 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.701 0.184 19876 4489 1 7 . 1 1 78 78 GLU H H 78 8.058 8.058 8.870 -0.812 19876 4490 1 7 . 1 1 79 79 TYR N N 79 119.945 119.945 121.210 -1.265 19876 4491 1 7 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.256 0.144 19876 4492 1 7 . 1 1 79 79 TYR C C 79 178.365 178.365 178.386 -0.021 19876 4493 1 7 . 1 1 79 79 TYR CA C 79 60.101 60.101 59.958 0.143 19876 4494 1 7 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.163 0.475 19876 4495 1 7 . 1 1 79 79 TYR H H 79 8.347 8.347 8.611 -0.264 19876 4496 1 7 . 1 1 80 80 LEU N N 80 123.586 123.586 119.283 4.303 19876 4497 1 7 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.973 -0.324 19876 4498 1 7 . 1 1 80 80 LEU C C 80 177.594 177.594 179.383 -1.789 19876 4499 1 7 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.273 0.406 19876 4500 1 7 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.246 -0.604 19876 4501 1 7 . 1 1 80 80 LEU H H 80 9.113 9.113 8.713 0.400 19876 4502 1 7 . 1 1 81 81 ASP N N 81 121.522 121.522 119.792 1.730 19876 4503 1 7 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.333 0.073 19876 4504 1 7 . 1 1 81 81 ASP C C 81 178.021 178.021 178.519 -0.498 19876 4505 1 7 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.685 -0.996 19876 4506 1 7 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.919 -0.277 19876 4507 1 7 . 1 1 81 81 ASP H H 81 8.228 8.228 8.893 -0.665 19876 4508 1 7 . 1 1 82 82 ASP N N 82 120.931 120.931 119.971 0.960 19876 4509 1 7 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.456 -0.034 19876 4510 1 7 . 1 1 82 82 ASP C C 82 178.342 178.342 178.878 -0.536 19876 4511 1 7 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.959 -0.052 19876 4512 1 7 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.780 0.053 19876 4513 1 7 . 1 1 82 82 ASP H H 82 9.139 9.139 8.889 0.250 19876 4514 1 7 . 1 1 83 83 THR N N 83 118.686 118.686 117.698 0.988 19876 4515 1 7 . 1 1 83 83 THR HA H 83 3.415 3.415 3.633 -0.218 19876 4516 1 7 . 1 1 83 83 THR C C 83 173.663 173.663 176.439 -2.776 19876 4517 1 7 . 1 1 83 83 THR CA C 83 67.258 67.258 66.858 0.400 19876 4518 1 7 . 1 1 83 83 THR CB C 83 68.017 68.017 68.936 -0.919 19876 4519 1 7 . 1 1 83 83 THR H H 83 8.394 8.394 8.669 -0.275 19876 4520 1 7 . 1 1 84 84 TYR N N 84 122.004 122.004 122.775 -0.771 19876 4521 1 7 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.147 -0.404 19876 4522 1 7 . 1 1 84 84 TYR C C 84 177.983 177.983 177.483 0.500 19876 4523 1 7 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.953 0.154 19876 4524 1 7 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.364 0.088 19876 4525 1 7 . 1 1 84 84 TYR H H 84 8.561 8.561 8.945 -0.384 19876 4526 1 7 . 1 1 85 85 THR N N 85 116.249 116.249 116.364 -0.115 19876 4527 1 7 . 1 1 85 85 THR HA H 85 3.409 3.409 3.818 -0.409 19876 4528 1 7 . 1 1 85 85 THR C C 85 174.628 174.628 176.679 -2.051 19876 4529 1 7 . 1 1 85 85 THR CA C 85 66.483 66.483 66.488 -0.005 19876 4530 1 7 . 1 1 85 85 THR CB C 85 68.604 68.604 68.651 -0.047 19876 4531 1 7 . 1 1 85 85 THR H H 85 8.749 8.749 8.873 -0.124 19876 4532 1 7 . 1 1 86 86 LEU N N 86 121.835 121.835 122.672 -0.837 19876 4533 1 7 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.840 -0.285 19876 4534 1 7 . 1 1 86 86 LEU C C 86 176.057 176.057 179.520 -3.463 19876 4535 1 7 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.646 0.360 19876 4536 1 7 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.382 1.391 19876 4537 1 7 . 1 1 86 86 LEU H H 86 7.257 7.257 8.537 -1.280 19876 4538 1 7 . 1 1 87 87 PHE N N 87 111.264 111.264 115.970 -4.706 19876 4539 1 7 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.124 -0.147 19876 4540 1 7 . 1 1 87 87 PHE C C 87 174.687 174.687 177.916 -3.229 19876 4541 1 7 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.711 0.029 19876 4542 1 7 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.922 0.509 19876 4543 1 7 . 1 1 87 87 PHE H H 87 7.168 7.168 7.886 -0.718 19876 4544 1 7 . 1 1 88 88 SER N N 88 112.848 112.848 113.264 -0.416 19876 4545 1 7 . 1 1 88 88 SER HA H 88 4.207 4.207 4.060 0.147 19876 4546 1 7 . 1 1 88 88 SER C C 88 172.760 172.760 174.316 -1.556 19876 4547 1 7 . 1 1 88 88 SER CA C 88 58.725 58.725 60.114 -1.389 19876 4548 1 7 . 1 1 88 88 SER CB C 88 63.342 63.342 63.279 0.062 19876 4549 1 7 . 1 1 88 88 SER H H 88 7.290 7.290 7.765 -0.475 19876 4550 1 7 . 1 1 89 89 SER N N 89 116.554 116.554 119.020 -2.466 19876 4551 1 7 . 1 1 89 89 SER HA H 89 4.347 4.347 4.452 -0.105 19876 4552 1 7 . 1 1 89 89 SER C C 89 172.251 172.251 174.153 -1.902 19876 4553 1 7 . 1 1 89 89 SER CA C 89 57.597 57.597 57.654 -0.057 19876 4554 1 7 . 1 1 89 89 SER CB C 89 64.426 64.426 63.267 1.159 19876 4555 1 7 . 1 1 89 89 SER H H 89 7.064 7.064 7.643 -0.579 19876 4556 1 7 . 1 1 90 90 TYR N N 90 122.348 122.348 125.670 -3.322 19876 4557 1 7 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.156 0.187 19876 4558 1 7 . 1 1 90 90 TYR C C 90 175.043 175.043 176.967 -1.924 19876 4559 1 7 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.852 -2.880 19876 4560 1 7 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.667 -1.042 19876 4561 1 7 . 1 1 90 90 TYR H H 90 8.446 8.446 8.155 0.291 19876 4562 1 7 . 1 1 91 91 GLY N N 91 111.349 111.349 103.500 7.849 19876 4563 1 7 . 1 1 91 91 GLY C C 91 170.874 170.874 173.520 -2.646 19876 4564 1 7 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.632 1.103 19876 4565 1 7 . 1 1 91 91 GLY H H 91 7.820 7.820 8.154 -0.334 19876 4566 1 7 . 1 1 92 92 ILE N N 92 121.703 121.703 122.649 -0.946 19876 4567 1 7 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.789 0.089 19876 4568 1 7 . 1 1 92 92 ILE C C 92 173.956 173.956 175.903 -1.947 19876 4569 1 7 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.661 -0.534 19876 4570 1 7 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.358 1.084 19876 4571 1 7 . 1 1 92 92 ILE H H 92 8.032 8.032 8.372 -0.340 19876 4572 1 7 . 1 1 93 93 ASN N N 93 125.791 125.791 126.418 -0.627 19876 4573 1 7 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.784 0.130 19876 4574 1 7 . 1 1 93 93 ASN C C 93 173.468 173.468 175.682 -2.214 19876 4575 1 7 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.317 -0.875 19876 4576 1 7 . 1 1 93 93 ASN CB C 93 40.147 40.147 39.770 0.377 19876 4577 1 7 . 1 1 93 93 ASN H H 93 8.423 8.423 8.212 0.211 19876 4578 1 7 . 1 1 94 94 ASP N N 94 122.019 122.019 125.387 -3.368 19876 4579 1 7 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.464 0.027 19876 4580 1 7 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.244 -0.126 19876 4581 1 7 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.140 0.148 19876 4582 1 7 . 1 1 94 94 ASP H H 94 8.710 8.710 9.111 -0.401 19876 4583 1 7 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.217 -0.063 19876 4584 1 7 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.180 0.374 19876 4585 1 7 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.238 -0.489 19876 4586 1 7 . 1 1 96 96 GLU N N 96 117.965 117.965 118.060 -0.095 19876 4587 1 7 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.091 -0.230 19876 4588 1 7 . 1 1 96 96 GLU C C 96 177.730 177.730 179.111 -1.381 19876 4589 1 7 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.100 -0.218 19876 4590 1 7 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.933 -0.095 19876 4591 1 7 . 1 1 96 96 GLU H H 96 7.954 7.954 8.476 -0.522 19876 4592 1 7 . 1 1 97 97 LEU N N 97 124.427 124.427 121.319 3.108 19876 4593 1 7 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.984 0.125 19876 4594 1 7 . 1 1 97 97 LEU C C 97 177.211 177.211 178.884 -1.673 19876 4595 1 7 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.218 -0.167 19876 4596 1 7 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.792 -0.021 19876 4597 1 7 . 1 1 97 97 LEU H H 97 7.825 7.825 8.044 -0.219 19876 4598 1 7 . 1 1 98 98 GLN N N 98 117.195 117.195 117.758 -0.563 19876 4599 1 7 . 1 1 98 98 GLN HA H 98 3.990 3.990 3.979 0.011 19876 4600 1 7 . 1 1 98 98 GLN C C 98 177.762 177.762 178.787 -1.025 19876 4601 1 7 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.489 0.134 19876 4602 1 7 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.697 0.304 19876 4603 1 7 . 1 1 98 98 GLN H H 98 8.481 8.481 8.925 -0.444 19876 4604 1 7 . 1 1 99 99 ARG N N 99 119.687 119.687 120.864 -1.177 19876 4605 1 7 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.038 -0.116 19876 4606 1 7 . 1 1 99 99 ARG C C 99 176.055 176.055 178.367 -2.312 19876 4607 1 7 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.120 0.492 19876 4608 1 7 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.847 0.475 19876 4609 1 7 . 1 1 99 99 ARG H H 99 7.836 7.836 8.235 -0.399 19876 4610 1 7 . 1 1 100 100 TRP N N 100 119.762 119.762 121.683 -1.921 19876 4611 1 7 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.466 -0.237 19876 4612 1 7 . 1 1 100 100 TRP C C 100 176.004 176.004 178.929 -2.925 19876 4613 1 7 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.401 0.604 19876 4614 1 7 . 1 1 100 100 TRP CB C 100 28.948 28.948 28.950 -0.002 19876 4615 1 7 . 1 1 100 100 TRP H H 100 7.731 7.731 8.818 -1.087 19876 4616 1 7 . 1 1 101 101 GLN N N 101 115.464 115.464 116.942 -1.478 19876 4617 1 7 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.623 -0.138 19876 4618 1 7 . 1 1 101 101 GLN C C 101 177.498 177.498 178.574 -1.076 19876 4619 1 7 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.351 -0.187 19876 4620 1 7 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.181 -0.099 19876 4621 1 7 . 1 1 101 101 GLN H H 101 8.277 8.277 8.369 -0.092 19876 4622 1 7 . 1 1 102 102 LYS N N 102 119.856 119.856 120.415 -0.559 19876 4623 1 7 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.941 -0.029 19876 4624 1 7 . 1 1 102 102 LYS C C 102 178.364 178.364 179.185 -0.821 19876 4625 1 7 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.702 -0.523 19876 4626 1 7 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.220 -0.395 19876 4627 1 7 . 1 1 102 102 LYS H H 102 8.047 8.047 8.572 -0.525 19876 4628 1 7 . 1 1 103 103 THR N N 103 121.217 121.217 115.914 5.303 19876 4629 1 7 . 1 1 103 103 THR HA H 103 3.658 3.658 3.837 -0.179 19876 4630 1 7 . 1 1 103 103 THR C C 103 174.266 174.266 176.039 -1.773 19876 4631 1 7 . 1 1 103 103 THR CA C 103 66.206 66.206 66.965 -0.758 19876 4632 1 7 . 1 1 103 103 THR CB C 103 67.515 67.515 68.303 -0.788 19876 4633 1 7 . 1 1 103 103 THR H H 103 8.816 8.816 8.577 0.239 19876 4634 1 7 . 1 1 104 104 LYS N N 104 122.265 122.265 120.234 2.031 19876 4635 1 7 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.415 -0.364 19876 4636 1 7 . 1 1 104 104 LYS C C 104 176.952 176.952 178.530 -1.578 19876 4637 1 7 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.037 1.483 19876 4638 1 7 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.854 -0.514 19876 4639 1 7 . 1 1 104 104 LYS H H 104 8.258 8.258 7.194 1.064 19876 4640 1 7 . 1 1 105 105 GLU N N 105 118.912 118.912 119.690 -0.778 19876 4641 1 7 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.796 -0.198 19876 4642 1 7 . 1 1 105 105 GLU C C 105 178.038 178.038 178.983 -0.945 19876 4643 1 7 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.694 -0.176 19876 4644 1 7 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.290 -0.258 19876 4645 1 7 . 1 1 105 105 GLU H H 105 7.963 7.963 7.633 0.330 19876 4646 1 7 . 1 1 106 106 ARG N N 106 120.201 120.201 119.280 0.921 19876 4647 1 7 . 1 1 106 106 ARG HA H 106 3.696 3.696 4.004 -0.308 19876 4648 1 7 . 1 1 106 106 ARG C C 106 177.744 177.744 179.008 -1.264 19876 4649 1 7 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.254 0.740 19876 4650 1 7 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.109 0.679 19876 4651 1 7 . 1 1 106 106 ARG H H 106 7.940 7.940 8.288 -0.348 19876 4652 1 7 . 1 1 107 107 LEU N N 107 120.982 120.982 120.062 0.920 19876 4653 1 7 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.979 -0.234 19876 4654 1 7 . 1 1 107 107 LEU C C 107 176.173 176.173 179.368 -3.195 19876 4655 1 7 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.879 -1.442 19876 4656 1 7 . 1 1 107 107 LEU CB C 107 40.869 40.869 42.111 -1.242 19876 4657 1 7 . 1 1 107 107 LEU H H 107 8.242 8.242 8.253 -0.011 19876 4658 1 7 . 1 1 108 108 PHE N N 108 117.793 117.793 117.410 0.383 19876 4659 1 7 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.528 -0.526 19876 4660 1 7 . 1 1 108 108 PHE C C 108 177.654 177.654 177.739 -0.085 19876 4661 1 7 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.571 -0.382 19876 4662 1 7 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.286 -1.501 19876 4663 1 7 . 1 1 108 108 PHE H H 108 8.772 8.772 8.812 -0.040 19876 4664 1 7 . 1 1 109 109 ARG N N 109 121.726 121.726 119.190 2.536 19876 4665 1 7 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.094 -0.088 19876 4666 1 7 . 1 1 109 109 ARG C C 109 177.785 177.785 178.450 -0.665 19876 4667 1 7 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.287 1.055 19876 4668 1 7 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.305 0.493 19876 4669 1 7 . 1 1 109 109 ARG H H 109 7.865 7.865 7.935 -0.070 19876 4670 1 7 . 1 1 110 110 LEU N N 110 121.486 121.486 119.323 2.163 19876 4671 1 7 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.934 0.160 19876 4672 1 7 . 1 1 110 110 LEU C C 110 178.537 178.537 178.668 -0.131 19876 4673 1 7 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.147 -0.306 19876 4674 1 7 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.680 -0.859 19876 4675 1 7 . 1 1 110 110 LEU H H 110 7.338 7.338 7.631 -0.293 19876 4676 1 7 . 1 1 111 111 PHE N N 111 115.883 115.883 117.250 -1.367 19876 4677 1 7 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.127 0.189 19876 4678 1 7 . 1 1 111 111 PHE C C 111 175.369 175.369 177.636 -2.267 19876 4679 1 7 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.631 -1.552 19876 4680 1 7 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.234 0.277 19876 4681 1 7 . 1 1 111 111 PHE H H 111 7.584 7.584 8.148 -0.564 19876 4682 1 7 . 1 1 112 112 SER N N 112 111.693 111.693 112.213 -0.520 19876 4683 1 7 . 1 1 112 112 SER HA H 112 4.329 4.329 4.450 -0.121 19876 4684 1 7 . 1 1 112 112 SER C C 112 173.353 173.353 175.286 -1.933 19876 4685 1 7 . 1 1 112 112 SER CA C 112 59.050 59.050 59.166 -0.116 19876 4686 1 7 . 1 1 112 112 SER CB C 112 63.841 63.841 63.791 0.050 19876 4687 1 7 . 1 1 112 112 SER H H 112 7.554 7.554 8.133 -0.579 19876 4688 1 7 . 1 1 113 113 GLY N N 113 109.665 109.665 108.380 1.285 19876 4689 1 7 . 1 1 113 113 GLY C C 113 173.407 173.407 173.992 -0.585 19876 4690 1 7 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.841 0.533 19876 4691 1 7 . 1 1 113 113 GLY H H 113 7.781 7.781 7.802 -0.021 19876 4692 1 7 . 1 1 114 114 GLU N N 114 121.028 121.028 121.420 -0.392 19876 4693 1 7 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.343 -0.341 19876 4694 1 7 . 1 1 114 114 GLU C C 114 175.971 175.971 177.411 -1.440 19876 4695 1 7 . 1 1 114 114 GLU CA C 114 58.310 58.310 54.642 3.667 19876 4696 1 7 . 1 1 114 114 GLU CB C 114 30.164 30.164 30.037 0.127 19876 4697 1 7 . 1 1 114 114 GLU H H 114 8.414 8.414 7.949 0.465 19876 4698 1 7 . 1 1 115 115 TYR N N 115 118.828 118.828 118.785 0.043 19876 4699 1 7 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.334 -0.022 19876 4700 1 7 . 1 1 115 115 TYR C C 115 175.248 175.248 178.549 -3.301 19876 4701 1 7 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.999 -0.265 19876 4702 1 7 . 1 1 115 115 TYR CB C 115 38.371 38.371 37.232 1.139 19876 4703 1 7 . 1 1 115 115 TYR H H 115 7.939 7.939 7.525 0.414 19876 4704 1 7 . 1 1 116 116 ILE N N 116 120.412 120.412 119.435 0.977 19876 4705 1 7 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.680 0.063 19876 4706 1 7 . 1 1 116 116 ILE C C 116 175.591 175.591 177.895 -2.304 19876 4707 1 7 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.682 -1.546 19876 4708 1 7 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.338 0.889 19876 4709 1 7 . 1 1 116 116 ILE H H 116 7.892 7.892 7.950 -0.058 19876 4710 1 7 . 1 1 117 117 SER N N 117 117.142 117.142 115.434 1.708 19876 4711 1 7 . 1 1 117 117 SER HA H 117 4.141 4.141 4.134 0.007 19876 4712 1 7 . 1 1 117 117 SER C C 117 174.795 174.795 176.335 -1.540 19876 4713 1 7 . 1 1 117 117 SER CA C 117 60.437 60.437 61.330 -0.893 19876 4714 1 7 . 1 1 117 117 SER CB C 117 62.987 62.987 62.867 0.120 19876 4715 1 7 . 1 1 117 117 SER H H 117 8.127 8.127 7.948 0.179 19876 4716 1 7 . 1 1 118 118 THR N N 118 115.779 115.779 116.267 -0.488 19876 4717 1 7 . 1 1 118 118 THR HA H 118 3.987 3.987 3.984 0.003 19876 4718 1 7 . 1 1 118 118 THR C C 118 174.025 174.025 175.982 -1.957 19876 4719 1 7 . 1 1 118 118 THR CA C 118 64.026 64.026 64.544 -0.518 19876 4720 1 7 . 1 1 118 118 THR CB C 118 68.953 68.953 69.069 -0.116 19876 4721 1 7 . 1 1 118 118 THR H H 118 7.872 7.872 7.401 0.471 19876 4722 1 7 . 1 1 119 119 LEU N N 119 122.845 122.845 122.380 0.465 19876 4723 1 7 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.174 -0.126 19876 4724 1 7 . 1 1 119 119 LEU C C 119 176.246 176.246 177.274 -1.028 19876 4725 1 7 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.301 -1.220 19876 4726 1 7 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.925 -0.720 19876 4727 1 7 . 1 1 119 119 LEU H H 119 7.679 7.679 7.500 0.179 19876 4728 1 7 . 1 1 120 120 MET N N 120 117.447 117.447 115.929 1.518 19876 4729 1 7 . 1 1 120 120 MET HA H 120 4.243 4.243 4.527 -0.284 19876 4730 1 7 . 1 1 120 120 MET C C 120 174.594 174.594 176.191 -1.597 19876 4731 1 7 . 1 1 120 120 MET CA C 120 55.470 55.470 55.364 0.106 19876 4732 1 7 . 1 1 120 120 MET CB C 120 32.606 32.606 30.852 1.754 19876 4733 1 7 . 1 1 120 120 MET H H 120 7.812 7.812 8.300 -0.488 19876 4734 1 7 . 1 1 121 121 LYS N N 121 121.578 121.578 123.726 -2.148 19876 4735 1 7 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.125 0.110 19876 4736 1 7 . 1 1 121 121 LYS C C 121 174.539 174.539 177.043 -2.504 19876 4737 1 7 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.727 -2.246 19876 4738 1 7 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.830 0.136 19876 4739 1 7 . 1 1 121 121 LYS H H 121 7.790 7.790 8.034 -0.244 19876 4740 1 8 . 1 1 2 2 ASP N N 2 122.949 122.949 123.448 -0.499 19876 4741 1 8 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.508 -0.064 19876 4742 1 8 . 1 1 2 2 ASP C C 2 174.891 174.891 174.707 0.184 19876 4743 1 8 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.457 0.165 19876 4744 1 8 . 1 1 2 2 ASP CB C 2 41.319 41.319 40.992 0.327 19876 4745 1 8 . 1 1 2 2 ASP H H 2 8.386 8.386 8.055 0.331 19876 4746 1 8 . 1 1 3 3 GLU N N 3 119.296 119.296 117.602 1.694 19876 4747 1 8 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.066 -0.202 19876 4748 1 8 . 1 1 3 3 GLU C C 3 175.006 175.006 176.086 -1.080 19876 4749 1 8 . 1 1 3 3 GLU CA C 3 58.073 58.073 57.588 0.485 19876 4750 1 8 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.441 0.126 19876 4751 1 8 . 1 1 3 3 GLU H H 3 8.601 8.601 8.422 0.179 19876 4752 1 8 . 1 1 4 4 TYR N N 4 118.038 118.038 114.559 3.479 19876 4753 1 8 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.842 -0.389 19876 4754 1 8 . 1 1 4 4 TYR C C 4 174.761 174.761 174.730 0.031 19876 4755 1 8 . 1 1 4 4 TYR CA C 4 57.574 57.574 56.962 0.612 19876 4756 1 8 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.142 -0.147 19876 4757 1 8 . 1 1 4 4 TYR H H 4 8.049 8.049 7.928 0.121 19876 4758 1 8 . 1 1 5 5 SER N N 5 118.519 118.519 115.188 3.331 19876 4759 1 8 . 1 1 5 5 SER HA H 5 4.444 4.444 4.271 0.173 19876 4760 1 8 . 1 1 5 5 SER C C 5 171.907 171.907 172.376 -0.469 19876 4761 1 8 . 1 1 5 5 SER CA C 5 57.173 57.173 58.904 -1.731 19876 4762 1 8 . 1 1 5 5 SER CB C 5 62.104 62.104 61.358 0.746 19876 4763 1 8 . 1 1 5 5 SER H H 5 7.759 7.759 9.232 -1.473 19876 4764 1 8 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.346 0.098 19876 4765 1 8 . 1 1 6 6 PRO CA C 6 63.597 63.597 63.431 0.166 19876 4766 1 8 . 1 1 6 6 PRO CB C 6 32.048 32.048 30.905 1.143 19876 4767 1 8 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.072 -0.284 19876 4768 1 8 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.614 -0.114 19876 4769 1 8 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.314 0.267 19876 4770 1 8 . 1 1 9 9 HIS N N 9 118.064 118.064 119.928 -1.864 19876 4771 1 8 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.417 -0.135 19876 4772 1 8 . 1 1 9 9 HIS C C 9 176.264 176.264 177.558 -1.294 19876 4773 1 8 . 1 1 9 9 HIS CA C 9 59.043 59.043 60.160 -1.117 19876 4774 1 8 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.927 0.462 19876 4775 1 8 . 1 1 9 9 HIS H H 9 7.291 7.291 8.287 -0.996 19876 4776 1 8 . 1 1 10 10 ASP N N 10 122.089 122.089 121.037 1.052 19876 4777 1 8 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.787 -0.204 19876 4778 1 8 . 1 1 10 10 ASP C C 10 177.261 177.261 179.147 -1.886 19876 4779 1 8 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.697 -0.825 19876 4780 1 8 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.889 -0.320 19876 4781 1 8 . 1 1 10 10 ASP H H 10 8.221 8.221 8.313 -0.092 19876 4782 1 8 . 1 1 11 11 VAL N N 11 119.318 119.318 120.203 -0.885 19876 4783 1 8 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.148 -0.661 19876 4784 1 8 . 1 1 11 11 VAL C C 11 175.661 175.661 178.011 -2.350 19876 4785 1 8 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.119 -0.240 19876 4786 1 8 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.430 -0.004 19876 4787 1 8 . 1 1 11 11 VAL H H 11 8.850 8.850 8.051 0.799 19876 4788 1 8 . 1 1 12 12 ALA N N 12 121.749 121.749 122.295 -0.546 19876 4789 1 8 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.742 0.027 19876 4790 1 8 . 1 1 12 12 ALA C C 12 179.484 179.484 179.325 0.159 19876 4791 1 8 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.621 -0.353 19876 4792 1 8 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.438 -0.696 19876 4793 1 8 . 1 1 12 12 ALA H H 12 7.676 7.676 8.363 -0.687 19876 4794 1 8 . 1 1 13 13 GLN N N 13 119.544 119.544 118.567 0.977 19876 4795 1 8 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.229 -0.222 19876 4796 1 8 . 1 1 13 13 GLN C C 13 176.075 176.075 178.172 -2.097 19876 4797 1 8 . 1 1 13 13 GLN CA C 13 58.232 58.232 58.855 -0.623 19876 4798 1 8 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.466 -0.716 19876 4799 1 8 . 1 1 13 13 GLN H H 13 8.151 8.151 8.993 -0.842 19876 4800 1 8 . 1 1 14 14 LEU N N 14 121.127 121.127 122.472 -1.345 19876 4801 1 8 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.052 -0.496 19876 4802 1 8 . 1 1 14 14 LEU C C 14 176.935 176.935 178.344 -1.409 19876 4803 1 8 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.474 0.250 19876 4804 1 8 . 1 1 14 14 LEU CB C 14 41.687 41.687 40.962 0.724 19876 4805 1 8 . 1 1 14 14 LEU H H 14 7.889 7.889 8.842 -0.953 19876 4806 1 8 . 1 1 15 15 LYS N N 15 120.458 120.458 119.365 1.093 19876 4807 1 8 . 1 1 15 15 LYS HA H 15 2.662 2.662 1.983 0.679 19876 4808 1 8 . 1 1 15 15 LYS C C 15 176.022 176.022 178.289 -2.267 19876 4809 1 8 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.173 0.865 19876 4810 1 8 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.606 0.605 19876 4811 1 8 . 1 1 15 15 LYS H H 15 8.174 8.174 7.851 0.323 19876 4812 1 8 . 1 1 16 16 PHE N N 16 119.257 119.257 118.833 0.424 19876 4813 1 8 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.167 0.020 19876 4814 1 8 . 1 1 16 16 PHE C C 16 177.917 177.917 178.523 -0.606 19876 4815 1 8 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.735 -0.405 19876 4816 1 8 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.010 0.484 19876 4817 1 8 . 1 1 16 16 PHE H H 16 7.855 7.855 8.376 -0.521 19876 4818 1 8 . 1 1 17 17 LEU N N 17 121.489 121.489 120.237 1.252 19876 4819 1 8 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.944 -0.346 19876 4820 1 8 . 1 1 17 17 LEU C C 17 177.988 177.988 179.088 -1.100 19876 4821 1 8 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.639 -0.677 19876 4822 1 8 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.591 1.107 19876 4823 1 8 . 1 1 17 17 LEU H H 17 8.560 8.560 8.963 -0.403 19876 4824 1 8 . 1 1 18 18 CYS N N 18 116.216 116.216 118.359 -2.143 19876 4825 1 8 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.101 0.134 19876 4826 1 8 . 1 1 18 18 CYS C C 18 176.987 176.987 177.278 -0.291 19876 4827 1 8 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.707 1.867 19876 4828 1 8 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.890 1.413 19876 4829 1 8 . 1 1 18 18 CYS H H 18 8.194 8.194 8.304 -0.110 19876 4830 1 8 . 1 1 19 19 GLU N N 19 123.947 123.947 120.512 3.435 19876 4831 1 8 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.268 -0.383 19876 4832 1 8 . 1 1 19 19 GLU C C 19 176.436 176.436 179.402 -2.966 19876 4833 1 8 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.987 -0.101 19876 4834 1 8 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.317 -0.036 19876 4835 1 8 . 1 1 19 19 GLU H H 19 8.842 8.842 8.794 0.048 19876 4836 1 8 . 1 1 20 20 SER N N 20 116.500 116.500 115.924 0.576 19876 4837 1 8 . 1 1 20 20 SER HA H 20 4.056 4.056 4.315 -0.259 19876 4838 1 8 . 1 1 20 20 SER C C 20 174.835 174.835 176.696 -1.861 19876 4839 1 8 . 1 1 20 20 SER CA C 20 61.729 61.729 61.602 0.127 19876 4840 1 8 . 1 1 20 20 SER CB C 20 62.360 62.360 62.922 -0.562 19876 4841 1 8 . 1 1 20 20 SER H H 20 8.198 8.198 8.643 -0.445 19876 4842 1 8 . 1 1 21 21 LEU N N 21 121.186 121.186 123.721 -2.535 19876 4843 1 8 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.047 -0.136 19876 4844 1 8 . 1 1 21 21 LEU C C 21 175.905 175.905 178.207 -2.302 19876 4845 1 8 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.537 -0.584 19876 4846 1 8 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.082 -0.473 19876 4847 1 8 . 1 1 21 21 LEU H H 21 7.970 7.970 8.621 -0.651 19876 4848 1 8 . 1 1 22 22 TYR N N 22 119.690 119.690 120.645 -0.955 19876 4849 1 8 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.427 -0.109 19876 4850 1 8 . 1 1 22 22 TYR C C 22 175.453 175.453 177.926 -2.473 19876 4851 1 8 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.150 2.090 19876 4852 1 8 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.985 -0.842 19876 4853 1 8 . 1 1 22 22 TYR H H 22 7.473 7.473 9.296 -1.823 19876 4854 1 8 . 1 1 23 23 ASP N N 23 118.291 118.291 118.540 -0.249 19876 4855 1 8 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.238 -0.191 19876 4856 1 8 . 1 1 23 23 ASP C C 23 178.796 178.796 178.608 0.188 19876 4857 1 8 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.693 -0.409 19876 4858 1 8 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.817 -0.934 19876 4859 1 8 . 1 1 23 23 ASP H H 23 8.249 8.249 7.989 0.260 19876 4860 1 8 . 1 1 24 24 GLU N N 24 120.605 120.605 119.554 1.051 19876 4861 1 8 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.946 -0.015 19876 4862 1 8 . 1 1 24 24 GLU C C 24 178.457 178.457 179.270 -0.813 19876 4863 1 8 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.576 -1.015 19876 4864 1 8 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.392 -0.470 19876 4865 1 8 . 1 1 24 24 GLU H H 24 8.347 8.347 8.732 -0.385 19876 4866 1 8 . 1 1 25 25 GLY N N 25 111.777 111.777 108.783 2.994 19876 4867 1 8 . 1 1 25 25 GLY C C 25 173.906 173.906 176.553 -2.647 19876 4868 1 8 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.481 -0.013 19876 4869 1 8 . 1 1 25 25 GLY H H 25 8.701 8.701 9.080 -0.379 19876 4870 1 8 . 1 1 26 26 ILE N N 26 122.263 122.263 123.643 -1.380 19876 4871 1 8 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.772 -0.015 19876 4872 1 8 . 1 1 26 26 ILE C C 26 178.116 178.116 178.451 -0.335 19876 4873 1 8 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.921 -1.690 19876 4874 1 8 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.865 -1.177 19876 4875 1 8 . 1 1 26 26 ILE H H 26 8.717 8.717 8.787 -0.070 19876 4876 1 8 . 1 1 27 27 ALA N N 27 122.092 122.092 122.199 -0.107 19876 4877 1 8 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.922 0.038 19876 4878 1 8 . 1 1 27 27 ALA C C 27 178.428 178.428 179.428 -1.000 19876 4879 1 8 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.394 -0.901 19876 4880 1 8 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.249 -0.199 19876 4881 1 8 . 1 1 27 27 ALA H H 27 7.672 7.672 8.627 -0.955 19876 4882 1 8 . 1 1 28 28 THR N N 28 115.031 115.031 113.083 1.948 19876 4883 1 8 . 1 1 28 28 THR HA H 28 3.734 3.734 4.209 -0.475 19876 4884 1 8 . 1 1 28 28 THR C C 28 174.403 174.403 176.371 -1.968 19876 4885 1 8 . 1 1 28 28 THR CA C 28 65.750 65.750 64.895 0.855 19876 4886 1 8 . 1 1 28 28 THR CB C 28 68.530 68.530 69.204 -0.674 19876 4887 1 8 . 1 1 28 28 THR H H 28 7.554 7.554 7.771 -0.217 19876 4888 1 8 . 1 1 29 29 LEU N N 29 121.356 121.356 119.624 1.732 19876 4889 1 8 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.028 -0.218 19876 4890 1 8 . 1 1 29 29 LEU C C 29 176.694 176.694 178.944 -2.250 19876 4891 1 8 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.495 -0.001 19876 4892 1 8 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.856 0.323 19876 4893 1 8 . 1 1 29 29 LEU H H 29 7.580 7.580 8.600 -1.020 19876 4894 1 8 . 1 1 30 30 GLY CA C 30 44.903 44.903 46.052 -1.149 19876 4895 1 8 . 1 1 31 31 ASP N N 31 119.983 119.983 119.403 0.580 19876 4896 1 8 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.686 -0.123 19876 4897 1 8 . 1 1 31 31 ASP C C 31 175.609 175.609 174.906 0.703 19876 4898 1 8 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.170 0.713 19876 4899 1 8 . 1 1 31 31 ASP CB C 31 41.558 41.558 42.899 -1.341 19876 4900 1 8 . 1 1 31 31 ASP H H 31 8.017 8.017 8.140 -0.123 19876 4901 1 8 . 1 1 32 32 SER N N 32 118.027 118.027 117.951 0.076 19876 4902 1 8 . 1 1 32 32 SER HA H 32 4.191 4.191 4.373 -0.182 19876 4903 1 8 . 1 1 32 32 SER C C 32 178.747 178.747 176.256 2.491 19876 4904 1 8 . 1 1 32 32 SER CA C 32 59.247 59.247 58.457 0.790 19876 4905 1 8 . 1 1 32 32 SER CB C 32 63.224 63.224 63.884 -0.660 19876 4906 1 8 . 1 1 32 32 SER H H 32 8.284 8.284 8.463 -0.179 19876 4907 1 8 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.113 0.232 19876 4908 1 8 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.019 -1.990 19876 4909 1 8 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.511 0.048 19876 4910 1 8 . 1 1 34 34 HIS N N 34 117.885 117.885 116.228 1.657 19876 4911 1 8 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.706 -0.222 19876 4912 1 8 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.714 0.233 19876 4913 1 8 . 1 1 34 34 HIS CB C 34 29.767 29.767 28.855 0.912 19876 4914 1 8 . 1 1 34 34 HIS H H 34 7.896 7.896 7.768 0.128 19876 4915 1 8 . 1 1 35 35 GLY N N 35 108.681 108.681 107.325 1.356 19876 4916 1 8 . 1 1 35 35 GLY C C 35 172.466 172.466 174.445 -1.979 19876 4917 1 8 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.928 -0.629 19876 4918 1 8 . 1 1 35 35 GLY H H 35 7.864 7.864 8.090 -0.226 19876 4919 1 8 . 1 1 36 36 TRP N N 36 120.973 120.973 119.497 1.476 19876 4920 1 8 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.737 -0.243 19876 4921 1 8 . 1 1 36 36 TRP C C 36 174.594 174.594 176.701 -2.107 19876 4922 1 8 . 1 1 36 36 TRP CA C 36 57.866 57.866 56.142 1.724 19876 4923 1 8 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.257 -0.670 19876 4924 1 8 . 1 1 36 36 TRP H H 36 7.809 7.809 7.821 -0.012 19876 4925 1 8 . 1 1 37 37 VAL N N 37 122.778 122.778 115.942 6.836 19876 4926 1 8 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.080 -0.293 19876 4927 1 8 . 1 1 37 37 VAL C C 37 173.396 173.396 175.227 -1.831 19876 4928 1 8 . 1 1 37 37 VAL CA C 37 61.284 61.284 62.024 -0.740 19876 4929 1 8 . 1 1 37 37 VAL CB C 37 33.534 33.534 32.341 1.193 19876 4930 1 8 . 1 1 37 37 VAL H H 37 7.712 7.712 8.295 -0.583 19876 4931 1 8 . 1 1 38 38 ASN N N 38 121.869 121.869 121.194 0.675 19876 4932 1 8 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.822 -0.588 19876 4933 1 8 . 1 1 38 38 ASN C C 38 172.186 172.186 174.029 -1.843 19876 4934 1 8 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.988 1.082 19876 4935 1 8 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.643 0.986 19876 4936 1 8 . 1 1 38 38 ASN H H 38 7.768 7.768 8.778 -1.010 19876 4937 1 8 . 1 1 39 39 ASP N N 39 123.332 123.332 126.754 -3.422 19876 4938 1 8 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.726 0.133 19876 4939 1 8 . 1 1 39 39 ASP C C 39 173.301 173.301 176.543 -3.242 19876 4940 1 8 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.763 -1.903 19876 4941 1 8 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.480 -0.772 19876 4942 1 8 . 1 1 39 39 ASP H H 39 8.300 8.300 8.262 0.038 19876 4943 1 8 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.326 -0.170 19876 4944 1 8 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.448 -0.514 19876 4945 1 8 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.019 0.873 19876 4946 1 8 . 1 1 41 41 THR N N 41 107.824 107.824 105.049 2.775 19876 4947 1 8 . 1 1 41 41 THR HA H 41 4.191 4.191 4.229 -0.038 19876 4948 1 8 . 1 1 41 41 THR C C 41 173.405 173.405 174.790 -1.385 19876 4949 1 8 . 1 1 41 41 THR CA C 41 61.283 61.283 61.622 -0.339 19876 4950 1 8 . 1 1 41 41 THR CB C 41 69.351 69.351 69.256 0.095 19876 4951 1 8 . 1 1 41 41 THR H H 41 7.923 7.923 7.476 0.447 19876 4952 1 8 . 1 1 42 42 SER N N 42 118.745 118.745 118.458 0.287 19876 4953 1 8 . 1 1 42 42 SER HA H 42 4.187 4.187 4.211 -0.024 19876 4954 1 8 . 1 1 42 42 SER C C 42 172.750 172.750 175.597 -2.847 19876 4955 1 8 . 1 1 42 42 SER CA C 42 58.320 58.320 58.264 0.056 19876 4956 1 8 . 1 1 42 42 SER CB C 42 64.569 64.569 63.938 0.631 19876 4957 1 8 . 1 1 42 42 SER H H 42 7.705 7.705 7.547 0.158 19876 4958 1 8 . 1 1 43 43 ALA N N 43 124.591 124.591 129.048 -4.457 19876 4959 1 8 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.965 -0.005 19876 4960 1 8 . 1 1 43 43 ALA C C 43 178.795 178.795 179.538 -0.743 19876 4961 1 8 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.330 -0.194 19876 4962 1 8 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.021 0.123 19876 4963 1 8 . 1 1 43 43 ALA H H 43 8.540 8.540 8.817 -0.277 19876 4964 1 8 . 1 1 44 44 VAL N N 44 115.734 115.734 119.157 -3.423 19876 4965 1 8 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.555 0.164 19876 4966 1 8 . 1 1 44 44 VAL C C 44 176.057 176.057 177.078 -1.021 19876 4967 1 8 . 1 1 44 44 VAL CA C 44 64.702 64.702 66.142 -1.440 19876 4968 1 8 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.531 0.204 19876 4969 1 8 . 1 1 44 44 VAL H H 44 7.836 7.836 8.180 -0.344 19876 4970 1 8 . 1 1 45 45 ASN N N 45 123.038 123.038 118.022 5.016 19876 4971 1 8 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.972 0.072 19876 4972 1 8 . 1 1 45 45 ASN C C 45 176.022 176.022 177.800 -1.778 19876 4973 1 8 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.066 0.769 19876 4974 1 8 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.142 -0.421 19876 4975 1 8 . 1 1 45 45 ASN H H 45 7.709 7.709 7.514 0.195 19876 4976 1 8 . 1 1 46 46 LEU N N 46 122.005 122.005 120.500 1.505 19876 4977 1 8 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.897 0.029 19876 4978 1 8 . 1 1 46 46 LEU C C 46 178.192 178.192 178.988 -0.796 19876 4979 1 8 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.191 -0.148 19876 4980 1 8 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.576 -0.746 19876 4981 1 8 . 1 1 46 46 LEU H H 46 8.239 8.239 8.196 0.043 19876 4982 1 8 . 1 1 47 47 GLN N N 47 119.394 119.394 119.514 -0.120 19876 4983 1 8 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.885 0.086 19876 4984 1 8 . 1 1 47 47 GLN C C 47 177.762 177.762 178.689 -0.927 19876 4985 1 8 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.515 -0.824 19876 4986 1 8 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.624 -0.497 19876 4987 1 8 . 1 1 47 47 GLN H H 47 7.825 7.825 8.334 -0.509 19876 4988 1 8 . 1 1 48 48 LEU N N 48 122.808 122.808 119.257 3.551 19876 4989 1 8 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.807 -0.064 19876 4990 1 8 . 1 1 48 48 LEU C C 48 177.366 177.366 178.639 -1.273 19876 4991 1 8 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.802 -0.528 19876 4992 1 8 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.043 0.416 19876 4993 1 8 . 1 1 48 48 LEU H H 48 7.625 7.625 8.624 -0.999 19876 4994 1 8 . 1 1 49 49 ASN N N 49 117.784 117.784 118.540 -0.756 19876 4995 1 8 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.390 -0.104 19876 4996 1 8 . 1 1 49 49 ASN C C 49 176.893 176.893 177.355 -0.462 19876 4997 1 8 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.502 -1.366 19876 4998 1 8 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.393 -0.783 19876 4999 1 8 . 1 1 49 49 ASN H H 49 7.797 7.797 8.257 -0.460 19876 5000 1 8 . 1 1 50 50 ASP N N 50 120.887 120.887 121.336 -0.449 19876 5001 1 8 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.429 -0.125 19876 5002 1 8 . 1 1 50 50 ASP C C 50 177.452 177.452 178.488 -1.036 19876 5003 1 8 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.494 -0.107 19876 5004 1 8 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.017 -0.427 19876 5005 1 8 . 1 1 50 50 ASP H H 50 7.868 7.868 8.537 -0.669 19876 5006 1 8 . 1 1 51 51 LEU N N 51 123.117 123.117 120.868 2.249 19876 5007 1 8 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.752 0.406 19876 5008 1 8 . 1 1 51 51 LEU C C 51 177.345 177.345 179.231 -1.886 19876 5009 1 8 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.099 -1.135 19876 5010 1 8 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.984 -0.983 19876 5011 1 8 . 1 1 51 51 LEU H H 51 7.627 7.627 8.279 -0.652 19876 5012 1 8 . 1 1 52 52 ILE N N 52 120.007 120.007 118.705 1.302 19876 5013 1 8 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.556 -0.189 19876 5014 1 8 . 1 1 52 52 ILE C C 52 176.246 176.246 178.135 -1.889 19876 5015 1 8 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.964 1.056 19876 5016 1 8 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.636 0.546 19876 5017 1 8 . 1 1 52 52 ILE H H 52 8.309 8.309 8.789 -0.480 19876 5018 1 8 . 1 1 53 53 GLU N N 53 117.619 117.619 118.413 -0.794 19876 5019 1 8 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.976 -0.045 19876 5020 1 8 . 1 1 53 53 GLU C C 53 178.193 178.193 179.007 -0.814 19876 5021 1 8 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.690 -0.237 19876 5022 1 8 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.509 -0.161 19876 5023 1 8 . 1 1 53 53 GLU H H 53 7.965 7.965 7.904 0.061 19876 5024 1 8 . 1 1 54 54 HIS N N 54 120.335 120.335 120.426 -0.091 19876 5025 1 8 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.252 0.060 19876 5026 1 8 . 1 1 54 54 HIS C C 54 177.331 177.331 177.976 -0.645 19876 5027 1 8 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.927 -0.365 19876 5028 1 8 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.948 0.249 19876 5029 1 8 . 1 1 54 54 HIS H H 54 8.117 8.117 8.890 -0.773 19876 5030 1 8 . 1 1 55 55 ILE N N 55 120.694 120.694 119.211 1.483 19876 5031 1 8 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.910 -0.471 19876 5032 1 8 . 1 1 55 55 ILE C C 55 176.281 176.281 177.885 -1.604 19876 5033 1 8 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.441 0.510 19876 5034 1 8 . 1 1 55 55 ILE CB C 55 37.029 37.029 38.067 -1.038 19876 5035 1 8 . 1 1 55 55 ILE H H 55 8.655 8.655 8.741 -0.086 19876 5036 1 8 . 1 1 56 56 ALA N N 56 123.896 123.896 124.442 -0.546 19876 5037 1 8 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.889 -0.128 19876 5038 1 8 . 1 1 56 56 ALA C C 56 179.581 179.581 179.587 -0.006 19876 5039 1 8 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.678 -0.066 19876 5040 1 8 . 1 1 56 56 ALA CB C 56 17.649 17.649 17.965 -0.316 19876 5041 1 8 . 1 1 56 56 ALA H H 56 9.063 9.063 8.673 0.390 19876 5042 1 8 . 1 1 57 57 SER N N 57 114.014 114.014 114.806 -0.792 19876 5043 1 8 . 1 1 57 57 SER HA H 57 4.165 4.165 4.190 -0.025 19876 5044 1 8 . 1 1 57 57 SER C C 57 175.540 175.540 176.726 -1.186 19876 5045 1 8 . 1 1 57 57 SER CA C 57 61.491 61.491 61.447 0.044 19876 5046 1 8 . 1 1 57 57 SER CB C 57 62.640 62.640 63.173 -0.533 19876 5047 1 8 . 1 1 57 57 SER H H 57 7.918 7.918 8.626 -0.708 19876 5048 1 8 . 1 1 58 58 PHE N N 58 125.013 125.013 124.094 0.919 19876 5049 1 8 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.395 -0.377 19876 5050 1 8 . 1 1 58 58 PHE C C 58 177.343 177.343 177.772 -0.429 19876 5051 1 8 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.344 1.332 19876 5052 1 8 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.948 0.236 19876 5053 1 8 . 1 1 58 58 PHE H H 58 8.024 8.024 7.632 0.392 19876 5054 1 8 . 1 1 59 59 VAL N N 59 120.373 120.373 120.689 -0.316 19876 5055 1 8 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.275 0.382 19876 5056 1 8 . 1 1 59 59 VAL C C 59 175.403 175.403 177.818 -2.415 19876 5057 1 8 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.082 -0.980 19876 5058 1 8 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.498 -0.060 19876 5059 1 8 . 1 1 59 59 VAL H H 59 9.263 9.263 8.814 0.449 19876 5060 1 8 . 1 1 60 60 MET N N 60 120.360 120.360 117.557 2.803 19876 5061 1 8 . 1 1 60 60 MET HA H 60 4.002 4.002 3.945 0.057 19876 5062 1 8 . 1 1 60 60 MET C C 60 177.417 177.417 178.306 -0.889 19876 5063 1 8 . 1 1 60 60 MET CA C 60 59.396 59.396 59.650 -0.254 19876 5064 1 8 . 1 1 60 60 MET CB C 60 31.986 31.986 32.339 -0.353 19876 5065 1 8 . 1 1 60 60 MET H H 60 7.826 7.826 8.357 -0.531 19876 5066 1 8 . 1 1 61 61 SER N N 61 113.289 113.289 114.612 -1.323 19876 5067 1 8 . 1 1 61 61 SER HA H 61 4.035 4.035 4.132 -0.097 19876 5068 1 8 . 1 1 61 61 SER CA C 61 61.619 61.619 60.906 0.713 19876 5069 1 8 . 1 1 61 61 SER CB C 61 62.600 62.600 62.536 0.064 19876 5070 1 8 . 1 1 61 61 SER H H 61 7.230 7.230 7.640 -0.410 19876 5071 1 8 . 1 1 62 62 PHE N N 62 126.395 126.395 123.917 2.478 19876 5072 1 8 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.853 -0.212 19876 5073 1 8 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.875 0.069 19876 5074 1 8 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.929 1.533 19876 5075 1 8 . 1 1 62 62 PHE H H 62 8.681 8.681 8.317 0.364 19876 5076 1 8 . 1 1 63 63 LYS N N 63 116.676 116.676 116.544 0.132 19876 5077 1 8 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.214 -0.182 19876 5078 1 8 . 1 1 63 63 LYS C C 63 177.262 177.262 178.029 -0.767 19876 5079 1 8 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.498 0.190 19876 5080 1 8 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.702 1.147 19876 5081 1 8 . 1 1 63 63 LYS H H 63 8.585 8.585 8.071 0.514 19876 5082 1 8 . 1 1 64 64 ILE N N 64 117.020 117.020 118.630 -1.610 19876 5083 1 8 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.764 -0.241 19876 5084 1 8 . 1 1 64 64 ILE C C 64 176.151 176.151 177.537 -1.386 19876 5085 1 8 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.687 -0.694 19876 5086 1 8 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.776 0.400 19876 5087 1 8 . 1 1 64 64 ILE H H 64 6.751 6.751 7.890 -1.139 19876 5088 1 8 . 1 1 65 65 LYS N N 65 120.165 120.165 118.663 1.502 19876 5089 1 8 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.827 -0.388 19876 5090 1 8 . 1 1 65 65 LYS C C 65 175.133 175.133 176.452 -1.319 19876 5091 1 8 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.102 0.853 19876 5092 1 8 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.316 0.641 19876 5093 1 8 . 1 1 65 65 LYS H H 65 7.058 7.058 7.415 -0.357 19876 5094 1 8 . 1 1 66 66 TYR N N 66 115.421 115.421 114.890 0.531 19876 5095 1 8 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.922 -0.034 19876 5096 1 8 . 1 1 66 66 TYR C C 66 173.061 173.061 174.008 -0.947 19876 5097 1 8 . 1 1 66 66 TYR CA C 66 54.529 54.529 54.133 0.396 19876 5098 1 8 . 1 1 66 66 TYR CB C 66 36.669 36.669 37.152 -0.483 19876 5099 1 8 . 1 1 66 66 TYR H H 66 7.784 7.784 7.472 0.312 19876 5100 1 8 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.278 0.079 19876 5101 1 8 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.684 -0.174 19876 5102 1 8 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.045 -0.140 19876 5103 1 8 . 1 1 68 68 ASP N N 68 117.110 117.110 117.091 0.019 19876 5104 1 8 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.439 0.288 19876 5105 1 8 . 1 1 68 68 ASP C C 68 175.024 175.024 176.565 -1.541 19876 5106 1 8 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.002 -1.259 19876 5107 1 8 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.407 0.087 19876 5108 1 8 . 1 1 68 68 ASP H H 68 8.548 8.548 8.389 0.159 19876 5109 1 8 . 1 1 69 69 ASP N N 69 122.994 122.994 118.438 4.556 19876 5110 1 8 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.293 0.698 19876 5111 1 8 . 1 1 69 69 ASP C C 69 174.782 174.782 177.219 -2.437 19876 5112 1 8 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.422 0.893 19876 5113 1 8 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.113 0.050 19876 5114 1 8 . 1 1 69 69 ASP H H 69 7.545 7.545 7.872 -0.327 19876 5115 1 8 . 1 1 70 70 GLY N N 70 107.712 107.712 109.024 -1.312 19876 5116 1 8 . 1 1 70 70 GLY C C 70 173.987 173.987 175.598 -1.611 19876 5117 1 8 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.637 -0.305 19876 5118 1 8 . 1 1 70 70 GLY H H 70 7.879 7.879 7.805 0.074 19876 5119 1 8 . 1 1 71 71 ASP N N 71 119.785 119.785 120.333 -0.548 19876 5120 1 8 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.468 -0.273 19876 5121 1 8 . 1 1 71 71 ASP C C 71 177.114 177.114 177.648 -0.534 19876 5122 1 8 . 1 1 71 71 ASP CA C 71 57.052 57.052 55.984 1.068 19876 5123 1 8 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.515 -1.170 19876 5124 1 8 . 1 1 71 71 ASP H H 71 8.447 8.447 7.808 0.639 19876 5125 1 8 . 1 1 72 72 LEU N N 72 119.776 119.776 120.759 -0.983 19876 5126 1 8 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.752 0.115 19876 5127 1 8 . 1 1 72 72 LEU C C 72 176.531 176.531 178.295 -1.764 19876 5128 1 8 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.497 -0.045 19876 5129 1 8 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.558 0.177 19876 5130 1 8 . 1 1 72 72 LEU H H 72 7.562 7.562 7.463 0.099 19876 5131 1 8 . 1 1 73 73 SER N N 73 113.964 113.964 114.561 -0.597 19876 5132 1 8 . 1 1 73 73 SER HA H 73 3.605 3.605 3.977 -0.372 19876 5133 1 8 . 1 1 73 73 SER C C 73 174.610 174.610 176.595 -1.985 19876 5134 1 8 . 1 1 73 73 SER CA C 73 62.161 62.161 62.092 0.069 19876 5135 1 8 . 1 1 73 73 SER CB C 73 62.158 62.158 62.629 -0.471 19876 5136 1 8 . 1 1 73 73 SER H H 73 8.050 8.050 8.661 -0.611 19876 5137 1 8 . 1 1 74 74 GLU N N 74 119.742 119.742 123.827 -4.085 19876 5138 1 8 . 1 1 74 74 GLU HA H 74 4.071 4.071 3.966 0.105 19876 5139 1 8 . 1 1 74 74 GLU C C 74 178.089 178.089 179.068 -0.979 19876 5140 1 8 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.442 -0.340 19876 5141 1 8 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.516 -0.303 19876 5142 1 8 . 1 1 74 74 GLU H H 74 8.623 8.623 7.536 1.087 19876 5143 1 8 . 1 1 75 75 LEU N N 75 122.325 122.325 120.179 2.146 19876 5144 1 8 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.086 0.157 19876 5145 1 8 . 1 1 75 75 LEU C C 75 177.962 177.962 178.919 -0.957 19876 5146 1 8 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.767 -0.388 19876 5147 1 8 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.498 -0.094 19876 5148 1 8 . 1 1 75 75 LEU H H 75 7.255 7.255 8.478 -1.223 19876 5149 1 8 . 1 1 76 76 VAL N N 76 119.514 119.514 121.166 -1.652 19876 5150 1 8 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.589 -0.002 19876 5151 1 8 . 1 1 76 76 VAL C C 76 176.909 176.909 178.266 -1.357 19876 5152 1 8 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.770 -0.510 19876 5153 1 8 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.546 -0.603 19876 5154 1 8 . 1 1 76 76 VAL H H 76 8.235 8.235 8.788 -0.553 19876 5155 1 8 . 1 1 77 77 GLU N N 77 118.692 118.692 119.827 -1.135 19876 5156 1 8 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.898 -0.159 19876 5157 1 8 . 1 1 77 77 GLU C C 77 177.692 177.692 179.136 -1.444 19876 5158 1 8 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.145 0.862 19876 5159 1 8 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.262 -0.105 19876 5160 1 8 . 1 1 77 77 GLU H H 77 8.204 8.204 9.004 -0.800 19876 5161 1 8 . 1 1 78 78 GLU N N 78 121.945 121.945 120.508 1.437 19876 5162 1 8 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.027 0.001 19876 5163 1 8 . 1 1 78 78 GLU C C 78 176.559 176.559 178.939 -2.380 19876 5164 1 8 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.877 -0.303 19876 5165 1 8 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.730 0.155 19876 5166 1 8 . 1 1 78 78 GLU H H 78 8.058 8.058 8.585 -0.527 19876 5167 1 8 . 1 1 79 79 TYR N N 79 119.945 119.945 121.095 -1.150 19876 5168 1 8 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.206 0.194 19876 5169 1 8 . 1 1 79 79 TYR C C 79 178.365 178.365 178.197 0.168 19876 5170 1 8 . 1 1 79 79 TYR CA C 79 60.101 60.101 61.213 -1.112 19876 5171 1 8 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.315 0.323 19876 5172 1 8 . 1 1 79 79 TYR H H 79 8.347 8.347 8.724 -0.377 19876 5173 1 8 . 1 1 80 80 LEU N N 80 123.586 123.586 118.948 4.638 19876 5174 1 8 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.861 -0.212 19876 5175 1 8 . 1 1 80 80 LEU C C 80 177.594 177.594 179.330 -1.736 19876 5176 1 8 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.262 0.417 19876 5177 1 8 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.028 -0.386 19876 5178 1 8 . 1 1 80 80 LEU H H 80 9.113 9.113 8.866 0.247 19876 5179 1 8 . 1 1 81 81 ASP N N 81 121.522 121.522 119.723 1.799 19876 5180 1 8 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.379 0.027 19876 5181 1 8 . 1 1 81 81 ASP C C 81 178.021 178.021 178.481 -0.460 19876 5182 1 8 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.159 -0.470 19876 5183 1 8 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.738 -0.096 19876 5184 1 8 . 1 1 81 81 ASP H H 81 8.228 8.228 8.811 -0.583 19876 5185 1 8 . 1 1 82 82 ASP N N 82 120.931 120.931 120.365 0.566 19876 5186 1 8 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.435 -0.013 19876 5187 1 8 . 1 1 82 82 ASP C C 82 178.342 178.342 178.908 -0.566 19876 5188 1 8 . 1 1 82 82 ASP CA C 82 57.907 57.907 58.185 -0.278 19876 5189 1 8 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.941 -0.108 19876 5190 1 8 . 1 1 82 82 ASP H H 82 9.139 9.139 8.855 0.284 19876 5191 1 8 . 1 1 83 83 THR N N 83 118.686 118.686 118.016 0.670 19876 5192 1 8 . 1 1 83 83 THR HA H 83 3.415 3.415 3.412 0.003 19876 5193 1 8 . 1 1 83 83 THR C C 83 173.663 173.663 176.352 -2.689 19876 5194 1 8 . 1 1 83 83 THR CA C 83 67.258 67.258 66.980 0.278 19876 5195 1 8 . 1 1 83 83 THR CB C 83 68.017 68.017 69.100 -1.083 19876 5196 1 8 . 1 1 83 83 THR H H 83 8.394 8.394 8.760 -0.366 19876 5197 1 8 . 1 1 84 84 TYR N N 84 122.004 122.004 122.750 -0.746 19876 5198 1 8 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.090 -0.347 19876 5199 1 8 . 1 1 84 84 TYR C C 84 177.983 177.983 177.750 0.233 19876 5200 1 8 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.278 -0.171 19876 5201 1 8 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.487 -0.036 19876 5202 1 8 . 1 1 84 84 TYR H H 84 8.561 8.561 8.835 -0.274 19876 5203 1 8 . 1 1 85 85 THR N N 85 116.249 116.249 115.953 0.296 19876 5204 1 8 . 1 1 85 85 THR HA H 85 3.409 3.409 3.882 -0.473 19876 5205 1 8 . 1 1 85 85 THR C C 85 174.628 174.628 176.556 -1.928 19876 5206 1 8 . 1 1 85 85 THR CA C 85 66.483 66.483 66.779 -0.296 19876 5207 1 8 . 1 1 85 85 THR CB C 85 68.604 68.604 68.597 0.006 19876 5208 1 8 . 1 1 85 85 THR H H 85 8.749 8.749 8.824 -0.075 19876 5209 1 8 . 1 1 86 86 LEU N N 86 121.835 121.835 122.418 -0.583 19876 5210 1 8 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.888 -0.333 19876 5211 1 8 . 1 1 86 86 LEU C C 86 176.057 176.057 179.542 -3.485 19876 5212 1 8 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.215 0.791 19876 5213 1 8 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.506 1.267 19876 5214 1 8 . 1 1 86 86 LEU H H 86 7.257 7.257 8.287 -1.030 19876 5215 1 8 . 1 1 87 87 PHE N N 87 111.264 111.264 117.117 -5.853 19876 5216 1 8 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.010 -0.033 19876 5217 1 8 . 1 1 87 87 PHE C C 87 174.687 174.687 178.100 -3.413 19876 5218 1 8 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.681 0.059 19876 5219 1 8 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.669 0.762 19876 5220 1 8 . 1 1 87 87 PHE H H 87 7.168 7.168 8.100 -0.932 19876 5221 1 8 . 1 1 88 88 SER N N 88 112.848 112.848 113.544 -0.696 19876 5222 1 8 . 1 1 88 88 SER HA H 88 4.207 4.207 4.051 0.156 19876 5223 1 8 . 1 1 88 88 SER C C 88 172.760 172.760 174.595 -1.835 19876 5224 1 8 . 1 1 88 88 SER CA C 88 58.725 58.725 60.392 -1.667 19876 5225 1 8 . 1 1 88 88 SER CB C 88 63.342 63.342 63.228 0.114 19876 5226 1 8 . 1 1 88 88 SER H H 88 7.290 7.290 8.182 -0.892 19876 5227 1 8 . 1 1 89 89 SER N N 89 116.554 116.554 118.394 -1.840 19876 5228 1 8 . 1 1 89 89 SER HA H 89 4.347 4.347 4.460 -0.113 19876 5229 1 8 . 1 1 89 89 SER C C 89 172.251 172.251 174.079 -1.828 19876 5230 1 8 . 1 1 89 89 SER CA C 89 57.597 57.597 57.710 -0.113 19876 5231 1 8 . 1 1 89 89 SER CB C 89 64.426 64.426 63.068 1.358 19876 5232 1 8 . 1 1 89 89 SER H H 89 7.064 7.064 7.660 -0.596 19876 5233 1 8 . 1 1 90 90 TYR N N 90 122.348 122.348 125.709 -3.361 19876 5234 1 8 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.338 0.005 19876 5235 1 8 . 1 1 90 90 TYR C C 90 175.043 175.043 177.208 -2.165 19876 5236 1 8 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.587 -2.615 19876 5237 1 8 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.478 -0.852 19876 5238 1 8 . 1 1 90 90 TYR H H 90 8.446 8.446 8.279 0.167 19876 5239 1 8 . 1 1 91 91 GLY N N 91 111.349 111.349 104.229 7.120 19876 5240 1 8 . 1 1 91 91 GLY C C 91 170.874 170.874 173.813 -2.939 19876 5241 1 8 . 1 1 91 91 GLY CA C 91 44.734 44.734 44.113 0.621 19876 5242 1 8 . 1 1 91 91 GLY H H 91 7.820 7.820 8.049 -0.229 19876 5243 1 8 . 1 1 92 92 ILE N N 92 121.703 121.703 123.288 -1.585 19876 5244 1 8 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.847 0.031 19876 5245 1 8 . 1 1 92 92 ILE C C 92 173.956 173.956 175.310 -1.354 19876 5246 1 8 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.924 -0.797 19876 5247 1 8 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.800 0.643 19876 5248 1 8 . 1 1 92 92 ILE H H 92 8.032 8.032 8.222 -0.190 19876 5249 1 8 . 1 1 93 93 ASN N N 93 125.791 125.791 124.377 1.414 19876 5250 1 8 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.930 -0.016 19876 5251 1 8 . 1 1 93 93 ASN C C 93 173.468 173.468 175.628 -2.160 19876 5252 1 8 . 1 1 93 93 ASN CA C 93 51.442 51.442 51.921 -0.479 19876 5253 1 8 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.456 -0.309 19876 5254 1 8 . 1 1 93 93 ASN H H 93 8.423 8.423 8.305 0.118 19876 5255 1 8 . 1 1 94 94 ASP N N 94 122.019 122.019 124.867 -2.848 19876 5256 1 8 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.457 0.034 19876 5257 1 8 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.252 0.866 19876 5258 1 8 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.281 1.007 19876 5259 1 8 . 1 1 94 94 ASP H H 94 8.710 8.710 9.053 -0.343 19876 5260 1 8 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.282 -0.128 19876 5261 1 8 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.836 0.718 19876 5262 1 8 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.357 -0.608 19876 5263 1 8 . 1 1 96 96 GLU N N 96 117.965 117.965 117.694 0.271 19876 5264 1 8 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.177 -0.316 19876 5265 1 8 . 1 1 96 96 GLU C C 96 177.730 177.730 178.940 -1.210 19876 5266 1 8 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.328 0.554 19876 5267 1 8 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.952 -0.114 19876 5268 1 8 . 1 1 96 96 GLU H H 96 7.954 7.954 8.371 -0.417 19876 5269 1 8 . 1 1 97 97 LEU N N 97 124.427 124.427 121.905 2.522 19876 5270 1 8 . 1 1 97 97 LEU HA H 97 4.109 4.109 4.002 0.107 19876 5271 1 8 . 1 1 97 97 LEU C C 97 177.211 177.211 178.975 -1.764 19876 5272 1 8 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.567 -0.516 19876 5273 1 8 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.844 -0.073 19876 5274 1 8 . 1 1 97 97 LEU H H 97 7.825 7.825 8.673 -0.848 19876 5275 1 8 . 1 1 98 98 GLN N N 98 117.195 117.195 117.526 -0.331 19876 5276 1 8 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.093 -0.103 19876 5277 1 8 . 1 1 98 98 GLN C C 98 177.762 177.762 178.890 -1.128 19876 5278 1 8 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.511 0.112 19876 5279 1 8 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.619 0.382 19876 5280 1 8 . 1 1 98 98 GLN H H 98 8.481 8.481 8.978 -0.497 19876 5281 1 8 . 1 1 99 99 ARG N N 99 119.687 119.687 121.112 -1.425 19876 5282 1 8 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.102 -0.180 19876 5283 1 8 . 1 1 99 99 ARG C C 99 176.055 176.055 178.520 -2.465 19876 5284 1 8 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.056 0.557 19876 5285 1 8 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.873 0.449 19876 5286 1 8 . 1 1 99 99 ARG H H 99 7.836 7.836 7.710 0.126 19876 5287 1 8 . 1 1 100 100 TRP N N 100 119.762 119.762 122.158 -2.396 19876 5288 1 8 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.441 -0.212 19876 5289 1 8 . 1 1 100 100 TRP C C 100 176.004 176.004 178.608 -2.604 19876 5290 1 8 . 1 1 100 100 TRP CA C 100 62.005 62.005 62.359 -0.354 19876 5291 1 8 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.143 -0.195 19876 5292 1 8 . 1 1 100 100 TRP H H 100 7.731 7.731 9.088 -1.357 19876 5293 1 8 . 1 1 101 101 GLN N N 101 115.464 115.464 117.454 -1.990 19876 5294 1 8 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.840 -0.355 19876 5295 1 8 . 1 1 101 101 GLN C C 101 177.498 177.498 178.735 -1.237 19876 5296 1 8 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.761 -0.597 19876 5297 1 8 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.217 -0.135 19876 5298 1 8 . 1 1 101 101 GLN H H 101 8.277 8.277 8.918 -0.641 19876 5299 1 8 . 1 1 102 102 LYS N N 102 119.856 119.856 119.950 -0.094 19876 5300 1 8 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.941 -0.029 19876 5301 1 8 . 1 1 102 102 LYS C C 102 178.364 178.364 179.213 -0.849 19876 5302 1 8 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.798 -0.619 19876 5303 1 8 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.254 -0.429 19876 5304 1 8 . 1 1 102 102 LYS H H 102 8.047 8.047 8.665 -0.618 19876 5305 1 8 . 1 1 103 103 THR N N 103 121.217 121.217 115.973 5.244 19876 5306 1 8 . 1 1 103 103 THR HA H 103 3.658 3.658 3.950 -0.292 19876 5307 1 8 . 1 1 103 103 THR C C 103 174.266 174.266 176.241 -1.975 19876 5308 1 8 . 1 1 103 103 THR CA C 103 66.206 66.206 67.274 -1.068 19876 5309 1 8 . 1 1 103 103 THR CB C 103 67.515 67.515 68.524 -1.009 19876 5310 1 8 . 1 1 103 103 THR H H 103 8.816 8.816 8.566 0.250 19876 5311 1 8 . 1 1 104 104 LYS N N 104 122.265 122.265 121.315 0.950 19876 5312 1 8 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.273 -0.222 19876 5313 1 8 . 1 1 104 104 LYS C C 104 176.952 176.952 178.626 -1.674 19876 5314 1 8 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.823 1.697 19876 5315 1 8 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.808 -0.468 19876 5316 1 8 . 1 1 104 104 LYS H H 104 8.258 8.258 8.102 0.156 19876 5317 1 8 . 1 1 105 105 GLU N N 105 118.912 118.912 119.713 -0.801 19876 5318 1 8 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.827 -0.229 19876 5319 1 8 . 1 1 105 105 GLU C C 105 178.038 178.038 179.175 -1.137 19876 5320 1 8 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.497 0.021 19876 5321 1 8 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.105 -0.073 19876 5322 1 8 . 1 1 105 105 GLU H H 105 7.963 7.963 8.233 -0.270 19876 5323 1 8 . 1 1 106 106 ARG N N 106 120.201 120.201 118.815 1.386 19876 5324 1 8 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.957 -0.261 19876 5325 1 8 . 1 1 106 106 ARG C C 106 177.744 177.744 178.811 -1.067 19876 5326 1 8 . 1 1 106 106 ARG CA C 106 59.994 59.994 58.991 1.003 19876 5327 1 8 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.050 0.738 19876 5328 1 8 . 1 1 106 106 ARG H H 106 7.940 7.940 7.920 0.020 19876 5329 1 8 . 1 1 107 107 LEU N N 107 120.982 120.982 120.898 0.084 19876 5330 1 8 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.800 -0.055 19876 5331 1 8 . 1 1 107 107 LEU C C 107 176.173 176.173 178.634 -2.461 19876 5332 1 8 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.976 -0.539 19876 5333 1 8 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.359 -0.490 19876 5334 1 8 . 1 1 107 107 LEU H H 107 8.242 8.242 8.170 0.072 19876 5335 1 8 . 1 1 108 108 PHE N N 108 117.793 117.793 116.942 0.851 19876 5336 1 8 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.238 -0.236 19876 5337 1 8 . 1 1 108 108 PHE C C 108 177.654 177.654 177.846 -0.192 19876 5338 1 8 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.846 -0.657 19876 5339 1 8 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.375 -1.590 19876 5340 1 8 . 1 1 108 108 PHE H H 108 8.772 8.772 8.842 -0.070 19876 5341 1 8 . 1 1 109 109 ARG N N 109 121.726 121.726 119.222 2.504 19876 5342 1 8 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.082 -0.076 19876 5343 1 8 . 1 1 109 109 ARG C C 109 177.785 177.785 178.629 -0.844 19876 5344 1 8 . 1 1 109 109 ARG CA C 109 59.342 59.342 57.969 1.373 19876 5345 1 8 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.605 0.193 19876 5346 1 8 . 1 1 109 109 ARG H H 109 7.865 7.865 7.864 0.001 19876 5347 1 8 . 1 1 110 110 LEU N N 110 121.486 121.486 120.793 0.693 19876 5348 1 8 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.948 0.146 19876 5349 1 8 . 1 1 110 110 LEU C C 110 178.537 178.537 179.174 -0.637 19876 5350 1 8 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.456 -0.615 19876 5351 1 8 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.693 -0.872 19876 5352 1 8 . 1 1 110 110 LEU H H 110 7.338 7.338 8.191 -0.853 19876 5353 1 8 . 1 1 111 111 PHE N N 111 115.883 115.883 116.346 -0.463 19876 5354 1 8 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.202 0.114 19876 5355 1 8 . 1 1 111 111 PHE C C 111 175.369 175.369 177.468 -2.099 19876 5356 1 8 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.040 -0.961 19876 5357 1 8 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.031 0.480 19876 5358 1 8 . 1 1 111 111 PHE H H 111 7.584 7.584 8.583 -0.999 19876 5359 1 8 . 1 1 112 112 SER N N 112 111.693 111.693 112.830 -1.137 19876 5360 1 8 . 1 1 112 112 SER HA H 112 4.329 4.329 4.412 -0.083 19876 5361 1 8 . 1 1 112 112 SER C C 112 173.353 173.353 175.535 -2.182 19876 5362 1 8 . 1 1 112 112 SER CA C 112 59.050 59.050 60.158 -1.108 19876 5363 1 8 . 1 1 112 112 SER CB C 112 63.841 63.841 64.102 -0.261 19876 5364 1 8 . 1 1 112 112 SER H H 112 7.554 7.554 7.884 -0.330 19876 5365 1 8 . 1 1 113 113 GLY N N 113 109.665 109.665 108.372 1.293 19876 5366 1 8 . 1 1 113 113 GLY C C 113 173.407 173.407 174.727 -1.320 19876 5367 1 8 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.713 0.661 19876 5368 1 8 . 1 1 113 113 GLY H H 113 7.781 7.781 7.849 -0.068 19876 5369 1 8 . 1 1 114 114 GLU N N 114 121.028 121.028 120.786 0.242 19876 5370 1 8 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.922 0.080 19876 5371 1 8 . 1 1 114 114 GLU C C 114 175.971 175.971 177.619 -1.648 19876 5372 1 8 . 1 1 114 114 GLU CA C 114 58.310 58.310 59.021 -0.711 19876 5373 1 8 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.552 0.612 19876 5374 1 8 . 1 1 114 114 GLU H H 114 8.414 8.414 8.096 0.318 19876 5375 1 8 . 1 1 115 115 TYR N N 115 118.828 118.828 115.527 3.301 19876 5376 1 8 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.636 -0.324 19876 5377 1 8 . 1 1 115 115 TYR C C 115 175.248 175.248 178.345 -3.097 19876 5378 1 8 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.172 0.562 19876 5379 1 8 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.676 -0.305 19876 5380 1 8 . 1 1 115 115 TYR H H 115 7.939 7.939 7.439 0.500 19876 5381 1 8 . 1 1 116 116 ILE N N 116 120.412 120.412 120.688 -0.276 19876 5382 1 8 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.567 0.176 19876 5383 1 8 . 1 1 116 116 ILE C C 116 175.591 175.591 177.978 -2.387 19876 5384 1 8 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.538 -2.402 19876 5385 1 8 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.192 1.035 19876 5386 1 8 . 1 1 116 116 ILE H H 116 7.892 7.892 7.450 0.442 19876 5387 1 8 . 1 1 117 117 SER N N 117 117.142 117.142 113.008 4.134 19876 5388 1 8 . 1 1 117 117 SER HA H 117 4.141 4.141 4.133 0.008 19876 5389 1 8 . 1 1 117 117 SER C C 117 174.795 174.795 176.483 -1.688 19876 5390 1 8 . 1 1 117 117 SER CA C 117 60.437 60.437 61.848 -1.411 19876 5391 1 8 . 1 1 117 117 SER CB C 117 62.987 62.987 62.493 0.494 19876 5392 1 8 . 1 1 117 117 SER H H 117 8.127 8.127 8.694 -0.567 19876 5393 1 8 . 1 1 118 118 THR N N 118 115.779 115.779 115.917 -0.138 19876 5394 1 8 . 1 1 118 118 THR HA H 118 3.987 3.987 4.193 -0.206 19876 5395 1 8 . 1 1 118 118 THR C C 118 174.025 174.025 176.912 -2.887 19876 5396 1 8 . 1 1 118 118 THR CA C 118 64.026 64.026 64.431 -0.405 19876 5397 1 8 . 1 1 118 118 THR CB C 118 68.953 68.953 68.798 0.155 19876 5398 1 8 . 1 1 118 118 THR H H 118 7.872 7.872 7.276 0.596 19876 5399 1 8 . 1 1 119 119 LEU N N 119 122.845 122.845 123.427 -0.582 19876 5400 1 8 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.996 0.052 19876 5401 1 8 . 1 1 119 119 LEU C C 119 176.246 176.246 177.188 -0.942 19876 5402 1 8 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.334 -1.253 19876 5403 1 8 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.649 -0.444 19876 5404 1 8 . 1 1 119 119 LEU H H 119 7.679 7.679 8.113 -0.434 19876 5405 1 8 . 1 1 120 120 MET N N 120 117.447 117.447 113.702 3.745 19876 5406 1 8 . 1 1 120 120 MET HA H 120 4.243 4.243 4.707 -0.464 19876 5407 1 8 . 1 1 120 120 MET C C 120 174.594 174.594 176.041 -1.447 19876 5408 1 8 . 1 1 120 120 MET CA C 120 55.470 55.470 54.192 1.278 19876 5409 1 8 . 1 1 120 120 MET CB C 120 32.606 32.606 31.888 0.718 19876 5410 1 8 . 1 1 120 120 MET H H 120 7.812 7.812 8.208 -0.396 19876 5411 1 8 . 1 1 121 121 LYS N N 121 121.578 121.578 123.082 -1.504 19876 5412 1 8 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.209 0.026 19876 5413 1 8 . 1 1 121 121 LYS C C 121 174.539 174.539 177.104 -2.565 19876 5414 1 8 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.651 -2.171 19876 5415 1 8 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.287 0.679 19876 5416 1 8 . 1 1 121 121 LYS H H 121 7.790 7.790 8.175 -0.385 19876 5417 1 9 . 1 1 2 2 ASP N N 2 122.949 122.949 122.442 0.507 19876 5418 1 9 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.432 0.012 19876 5419 1 9 . 1 1 2 2 ASP C C 2 174.891 174.891 175.051 -0.160 19876 5420 1 9 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.119 -0.497 19876 5421 1 9 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.426 -0.107 19876 5422 1 9 . 1 1 2 2 ASP H H 2 8.386 8.386 8.329 0.057 19876 5423 1 9 . 1 1 3 3 GLU N N 3 119.296 119.296 121.035 -1.739 19876 5424 1 9 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.390 -0.526 19876 5425 1 9 . 1 1 3 3 GLU C C 3 175.006 175.006 175.707 -0.701 19876 5426 1 9 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.631 2.442 19876 5427 1 9 . 1 1 3 3 GLU CB C 3 29.567 29.567 30.377 -0.810 19876 5428 1 9 . 1 1 3 3 GLU H H 3 8.601 8.601 8.455 0.146 19876 5429 1 9 . 1 1 4 4 TYR N N 4 118.038 118.038 123.888 -5.850 19876 5430 1 9 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.642 -0.189 19876 5431 1 9 . 1 1 4 4 TYR C C 4 174.761 174.761 175.313 -0.552 19876 5432 1 9 . 1 1 4 4 TYR CA C 4 57.574 57.574 57.913 -0.339 19876 5433 1 9 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.995 0.000 19876 5434 1 9 . 1 1 4 4 TYR H H 4 8.049 8.049 8.650 -0.601 19876 5435 1 9 . 1 1 5 5 SER N N 5 118.519 118.519 113.838 4.681 19876 5436 1 9 . 1 1 5 5 SER HA H 5 4.444 4.444 4.336 0.108 19876 5437 1 9 . 1 1 5 5 SER C C 5 171.907 171.907 172.106 -0.199 19876 5438 1 9 . 1 1 5 5 SER CA C 5 57.173 57.173 58.643 -1.470 19876 5439 1 9 . 1 1 5 5 SER CB C 5 62.104 62.104 61.862 0.242 19876 5440 1 9 . 1 1 5 5 SER H H 5 7.759 7.759 8.455 -0.696 19876 5441 1 9 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.456 -0.012 19876 5442 1 9 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.621 0.976 19876 5443 1 9 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.592 -0.544 19876 5444 1 9 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.073 -0.285 19876 5445 1 9 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.095 -0.595 19876 5446 1 9 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.745 -0.164 19876 5447 1 9 . 1 1 9 9 HIS N N 9 118.064 118.064 117.272 0.792 19876 5448 1 9 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.282 0.000 19876 5449 1 9 . 1 1 9 9 HIS C C 9 176.264 176.264 177.998 -1.734 19876 5450 1 9 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.411 -0.368 19876 5451 1 9 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.542 0.847 19876 5452 1 9 . 1 1 9 9 HIS H H 9 7.291 7.291 8.445 -1.154 19876 5453 1 9 . 1 1 10 10 ASP N N 10 122.089 122.089 120.389 1.700 19876 5454 1 9 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.755 -0.172 19876 5455 1 9 . 1 1 10 10 ASP C C 10 177.261 177.261 179.059 -1.798 19876 5456 1 9 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.274 -0.402 19876 5457 1 9 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.695 -0.126 19876 5458 1 9 . 1 1 10 10 ASP H H 10 8.221 8.221 9.028 -0.807 19876 5459 1 9 . 1 1 11 11 VAL N N 11 119.318 119.318 120.469 -1.151 19876 5460 1 9 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.865 -0.378 19876 5461 1 9 . 1 1 11 11 VAL C C 11 175.661 175.661 177.725 -2.064 19876 5462 1 9 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.944 -0.065 19876 5463 1 9 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.400 0.026 19876 5464 1 9 . 1 1 11 11 VAL H H 11 8.850 8.850 7.939 0.911 19876 5465 1 9 . 1 1 12 12 ALA N N 12 121.749 121.749 121.641 0.108 19876 5466 1 9 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.761 0.008 19876 5467 1 9 . 1 1 12 12 ALA C C 12 179.484 179.484 179.741 -0.257 19876 5468 1 9 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.365 -0.097 19876 5469 1 9 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.102 -0.360 19876 5470 1 9 . 1 1 12 12 ALA H H 12 7.676 7.676 7.814 -0.138 19876 5471 1 9 . 1 1 13 13 GLN N N 13 119.544 119.544 118.236 1.308 19876 5472 1 9 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.749 0.258 19876 5473 1 9 . 1 1 13 13 GLN C C 13 176.075 176.075 178.317 -2.242 19876 5474 1 9 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.134 -0.902 19876 5475 1 9 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.313 -0.563 19876 5476 1 9 . 1 1 13 13 GLN H H 13 8.151 8.151 8.758 -0.607 19876 5477 1 9 . 1 1 14 14 LEU N N 14 121.127 121.127 120.861 0.266 19876 5478 1 9 . 1 1 14 14 LEU HA H 14 3.556 3.556 3.916 -0.360 19876 5479 1 9 . 1 1 14 14 LEU C C 14 176.935 176.935 178.337 -1.402 19876 5480 1 9 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.762 -0.038 19876 5481 1 9 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.583 0.104 19876 5482 1 9 . 1 1 14 14 LEU H H 14 7.889 7.889 8.612 -0.723 19876 5483 1 9 . 1 1 15 15 LYS N N 15 120.458 120.458 118.816 1.642 19876 5484 1 9 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.916 -0.254 19876 5485 1 9 . 1 1 15 15 LYS C C 15 176.022 176.022 178.504 -2.482 19876 5486 1 9 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.868 1.170 19876 5487 1 9 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.240 0.971 19876 5488 1 9 . 1 1 15 15 LYS H H 15 8.174 8.174 7.994 0.180 19876 5489 1 9 . 1 1 16 16 PHE N N 16 119.257 119.257 121.730 -2.473 19876 5490 1 9 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.000 0.187 19876 5491 1 9 . 1 1 16 16 PHE C C 16 177.917 177.917 177.559 0.358 19876 5492 1 9 . 1 1 16 16 PHE CA C 16 60.330 60.330 62.071 -1.741 19876 5493 1 9 . 1 1 16 16 PHE CB C 16 38.494 38.494 39.034 -0.540 19876 5494 1 9 . 1 1 16 16 PHE H H 16 7.855 7.855 8.522 -0.667 19876 5495 1 9 . 1 1 17 17 LEU N N 17 121.489 121.489 119.528 1.961 19876 5496 1 9 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.792 -0.194 19876 5497 1 9 . 1 1 17 17 LEU C C 17 177.988 177.988 178.788 -0.800 19876 5498 1 9 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.460 -0.498 19876 5499 1 9 . 1 1 17 17 LEU CB C 17 41.698 41.698 41.432 0.266 19876 5500 1 9 . 1 1 17 17 LEU H H 17 8.560 8.560 8.616 -0.056 19876 5501 1 9 . 1 1 18 18 CYS N N 18 116.216 116.216 118.446 -2.230 19876 5502 1 9 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.433 -0.198 19876 5503 1 9 . 1 1 18 18 CYS C C 18 176.987 176.987 178.187 -1.200 19876 5504 1 9 . 1 1 18 18 CYS CA C 18 65.574 65.574 61.809 3.765 19876 5505 1 9 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.927 1.377 19876 5506 1 9 . 1 1 18 18 CYS H H 18 8.194 8.194 8.206 -0.012 19876 5507 1 9 . 1 1 19 19 GLU N N 19 123.947 123.947 121.044 2.903 19876 5508 1 9 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.183 -0.298 19876 5509 1 9 . 1 1 19 19 GLU C C 19 176.436 176.436 179.178 -2.742 19876 5510 1 9 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.746 0.140 19876 5511 1 9 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.367 -0.086 19876 5512 1 9 . 1 1 19 19 GLU H H 19 8.842 8.842 8.757 0.085 19876 5513 1 9 . 1 1 20 20 SER N N 20 116.500 116.500 116.674 -0.174 19876 5514 1 9 . 1 1 20 20 SER HA H 20 4.056 4.056 3.960 0.096 19876 5515 1 9 . 1 1 20 20 SER C C 20 174.835 174.835 176.685 -1.850 19876 5516 1 9 . 1 1 20 20 SER CA C 20 61.729 61.729 62.304 -0.576 19876 5517 1 9 . 1 1 20 20 SER CB C 20 62.360 62.360 63.141 -0.781 19876 5518 1 9 . 1 1 20 20 SER H H 20 8.198 8.198 8.544 -0.346 19876 5519 1 9 . 1 1 21 21 LEU N N 21 121.186 121.186 122.331 -1.145 19876 5520 1 9 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.179 -0.268 19876 5521 1 9 . 1 1 21 21 LEU C C 21 175.905 175.905 179.075 -3.170 19876 5522 1 9 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.123 -0.170 19876 5523 1 9 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.028 -0.419 19876 5524 1 9 . 1 1 21 21 LEU H H 21 7.970 7.970 8.515 -0.545 19876 5525 1 9 . 1 1 22 22 TYR N N 22 119.690 119.690 119.820 -0.130 19876 5526 1 9 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.277 0.041 19876 5527 1 9 . 1 1 22 22 TYR C C 22 175.453 175.453 178.096 -2.643 19876 5528 1 9 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.156 2.084 19876 5529 1 9 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.731 -0.588 19876 5530 1 9 . 1 1 22 22 TYR H H 22 7.473 7.473 8.248 -0.775 19876 5531 1 9 . 1 1 23 23 ASP N N 23 118.291 118.291 119.741 -1.450 19876 5532 1 9 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.385 -0.338 19876 5533 1 9 . 1 1 23 23 ASP C C 23 178.796 178.796 178.792 0.004 19876 5534 1 9 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.853 -1.569 19876 5535 1 9 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.020 -1.137 19876 5536 1 9 . 1 1 23 23 ASP H H 23 8.249 8.249 8.733 -0.484 19876 5537 1 9 . 1 1 24 24 GLU N N 24 120.605 120.605 118.707 1.898 19876 5538 1 9 . 1 1 24 24 GLU HA H 24 3.931 3.931 4.100 -0.169 19876 5539 1 9 . 1 1 24 24 GLU C C 24 178.457 178.457 179.441 -0.984 19876 5540 1 9 . 1 1 24 24 GLU CA C 24 58.561 58.561 58.796 -0.235 19876 5541 1 9 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.356 -0.434 19876 5542 1 9 . 1 1 24 24 GLU H H 24 8.347 8.347 8.831 -0.484 19876 5543 1 9 . 1 1 25 25 GLY N N 25 111.777 111.777 109.997 1.780 19876 5544 1 9 . 1 1 25 25 GLY C C 25 173.906 173.906 176.471 -2.565 19876 5545 1 9 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.541 -0.074 19876 5546 1 9 . 1 1 25 25 GLY H H 25 8.701 8.701 8.606 0.095 19876 5547 1 9 . 1 1 26 26 ILE N N 26 122.263 122.263 123.640 -1.377 19876 5548 1 9 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.874 -0.117 19876 5549 1 9 . 1 1 26 26 ILE C C 26 178.116 178.116 178.295 -0.179 19876 5550 1 9 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.440 -1.209 19876 5551 1 9 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.842 -1.154 19876 5552 1 9 . 1 1 26 26 ILE H H 26 8.717 8.717 8.852 -0.135 19876 5553 1 9 . 1 1 27 27 ALA N N 27 122.092 122.092 121.681 0.411 19876 5554 1 9 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.981 -0.021 19876 5555 1 9 . 1 1 27 27 ALA C C 27 178.428 178.428 179.590 -1.162 19876 5556 1 9 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.505 -1.012 19876 5557 1 9 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.289 -0.239 19876 5558 1 9 . 1 1 27 27 ALA H H 27 7.672 7.672 8.027 -0.355 19876 5559 1 9 . 1 1 28 28 THR N N 28 115.031 115.031 114.419 0.612 19876 5560 1 9 . 1 1 28 28 THR HA H 28 3.734 3.734 4.228 -0.494 19876 5561 1 9 . 1 1 28 28 THR C C 28 174.403 174.403 176.154 -1.751 19876 5562 1 9 . 1 1 28 28 THR CA C 28 65.750 65.750 66.325 -0.575 19876 5563 1 9 . 1 1 28 28 THR CB C 28 68.530 68.530 69.198 -0.668 19876 5564 1 9 . 1 1 28 28 THR H H 28 7.554 7.554 7.721 -0.167 19876 5565 1 9 . 1 1 29 29 LEU N N 29 121.356 121.356 119.629 1.727 19876 5566 1 9 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.116 -0.306 19876 5567 1 9 . 1 1 29 29 LEU C C 29 176.694 176.694 178.389 -1.695 19876 5568 1 9 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.822 -0.328 19876 5569 1 9 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.822 0.357 19876 5570 1 9 . 1 1 29 29 LEU H H 29 7.580 7.580 8.498 -0.918 19876 5571 1 9 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.693 0.210 19876 5572 1 9 . 1 1 31 31 ASP N N 31 119.983 119.983 121.319 -1.336 19876 5573 1 9 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.514 0.049 19876 5574 1 9 . 1 1 31 31 ASP C C 31 175.609 175.609 175.815 -0.206 19876 5575 1 9 . 1 1 31 31 ASP CA C 31 53.883 53.883 54.208 -0.325 19876 5576 1 9 . 1 1 31 31 ASP CB C 31 41.558 41.558 40.349 1.209 19876 5577 1 9 . 1 1 31 31 ASP H H 31 8.017 8.017 8.493 -0.476 19876 5578 1 9 . 1 1 32 32 SER N N 32 118.027 118.027 119.345 -1.318 19876 5579 1 9 . 1 1 32 32 SER HA H 32 4.191 4.191 4.468 -0.277 19876 5580 1 9 . 1 1 32 32 SER C C 32 178.747 178.747 174.813 3.934 19876 5581 1 9 . 1 1 32 32 SER CA C 32 59.247 59.247 58.360 0.887 19876 5582 1 9 . 1 1 32 32 SER CB C 32 63.224 63.224 64.237 -1.013 19876 5583 1 9 . 1 1 32 32 SER H H 32 8.284 8.284 7.756 0.528 19876 5584 1 9 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.170 0.175 19876 5585 1 9 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.536 -2.507 19876 5586 1 9 . 1 1 33 33 HIS CB C 33 29.559 29.559 30.013 -0.454 19876 5587 1 9 . 1 1 34 34 HIS N N 34 117.885 117.885 116.774 1.111 19876 5588 1 9 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.545 -0.061 19876 5589 1 9 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.052 -0.105 19876 5590 1 9 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.104 -0.337 19876 5591 1 9 . 1 1 34 34 HIS H H 34 7.896 7.896 8.404 -0.508 19876 5592 1 9 . 1 1 35 35 GLY N N 35 108.681 108.681 106.242 2.439 19876 5593 1 9 . 1 1 35 35 GLY C C 35 172.466 172.466 174.020 -1.554 19876 5594 1 9 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.609 -0.310 19876 5595 1 9 . 1 1 35 35 GLY H H 35 7.864 7.864 8.170 -0.306 19876 5596 1 9 . 1 1 36 36 TRP N N 36 120.973 120.973 119.403 1.570 19876 5597 1 9 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.654 -0.160 19876 5598 1 9 . 1 1 36 36 TRP C C 36 174.594 174.594 175.782 -1.188 19876 5599 1 9 . 1 1 36 36 TRP CA C 36 57.866 57.866 58.277 -0.411 19876 5600 1 9 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.212 -0.625 19876 5601 1 9 . 1 1 36 36 TRP H H 36 7.809 7.809 8.076 -0.267 19876 5602 1 9 . 1 1 37 37 VAL N N 37 122.778 122.778 112.849 9.929 19876 5603 1 9 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.295 -0.508 19876 5604 1 9 . 1 1 37 37 VAL C C 37 173.396 173.396 173.855 -0.459 19876 5605 1 9 . 1 1 37 37 VAL CA C 37 61.284 61.284 59.998 1.286 19876 5606 1 9 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.507 0.027 19876 5607 1 9 . 1 1 37 37 VAL H H 37 7.712 7.712 7.569 0.143 19876 5608 1 9 . 1 1 38 38 ASN N N 38 121.869 121.869 120.671 1.198 19876 5609 1 9 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.598 -0.363 19876 5610 1 9 . 1 1 38 38 ASN C C 38 172.186 172.186 173.530 -1.344 19876 5611 1 9 . 1 1 38 38 ASN CA C 38 54.070 54.070 53.191 0.879 19876 5612 1 9 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.491 1.138 19876 5613 1 9 . 1 1 38 38 ASN H H 38 7.768 7.768 8.636 -0.868 19876 5614 1 9 . 1 1 39 39 ASP N N 39 123.332 123.332 126.838 -3.506 19876 5615 1 9 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.767 0.092 19876 5616 1 9 . 1 1 39 39 ASP C C 39 173.301 173.301 175.766 -2.465 19876 5617 1 9 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.057 -1.197 19876 5618 1 9 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.562 -0.854 19876 5619 1 9 . 1 1 39 39 ASP H H 39 8.300 8.300 8.308 -0.008 19876 5620 1 9 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.177 -0.021 19876 5621 1 9 . 1 1 40 40 PRO CA C 40 63.934 63.934 65.065 -1.131 19876 5622 1 9 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.215 0.677 19876 5623 1 9 . 1 1 41 41 THR N N 41 107.824 107.824 107.740 0.084 19876 5624 1 9 . 1 1 41 41 THR HA H 41 4.191 4.191 4.246 -0.055 19876 5625 1 9 . 1 1 41 41 THR C C 41 173.405 173.405 174.723 -1.318 19876 5626 1 9 . 1 1 41 41 THR CA C 41 61.283 61.283 61.726 -0.443 19876 5627 1 9 . 1 1 41 41 THR CB C 41 69.351 69.351 68.813 0.538 19876 5628 1 9 . 1 1 41 41 THR H H 41 7.923 7.923 7.734 0.189 19876 5629 1 9 . 1 1 42 42 SER N N 42 118.745 118.745 118.390 0.355 19876 5630 1 9 . 1 1 42 42 SER HA H 42 4.187 4.187 4.314 -0.127 19876 5631 1 9 . 1 1 42 42 SER C C 42 172.750 172.750 175.596 -2.846 19876 5632 1 9 . 1 1 42 42 SER CA C 42 58.320 58.320 57.921 0.399 19876 5633 1 9 . 1 1 42 42 SER CB C 42 64.569 64.569 65.064 -0.495 19876 5634 1 9 . 1 1 42 42 SER H H 42 7.705 7.705 7.908 -0.203 19876 5635 1 9 . 1 1 43 43 ALA N N 43 124.591 124.591 128.639 -4.048 19876 5636 1 9 . 1 1 43 43 ALA HA H 43 3.960 3.960 4.047 -0.087 19876 5637 1 9 . 1 1 43 43 ALA C C 43 178.795 178.795 179.536 -0.741 19876 5638 1 9 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.085 0.051 19876 5639 1 9 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.413 -0.269 19876 5640 1 9 . 1 1 43 43 ALA H H 43 8.540 8.540 8.794 -0.254 19876 5641 1 9 . 1 1 44 44 VAL N N 44 115.734 115.734 116.569 -0.835 19876 5642 1 9 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.510 0.209 19876 5643 1 9 . 1 1 44 44 VAL C C 44 176.057 176.057 177.745 -1.688 19876 5644 1 9 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.638 -0.936 19876 5645 1 9 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.363 0.372 19876 5646 1 9 . 1 1 44 44 VAL H H 44 7.836 7.836 7.464 0.372 19876 5647 1 9 . 1 1 45 45 ASN N N 45 123.038 123.038 119.168 3.870 19876 5648 1 9 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.831 0.213 19876 5649 1 9 . 1 1 45 45 ASN C C 45 176.022 176.022 177.840 -1.818 19876 5650 1 9 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.851 -0.016 19876 5651 1 9 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.122 -0.401 19876 5652 1 9 . 1 1 45 45 ASN H H 45 7.709 7.709 7.939 -0.230 19876 5653 1 9 . 1 1 46 46 LEU N N 46 122.005 122.005 120.926 1.079 19876 5654 1 9 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.890 0.036 19876 5655 1 9 . 1 1 46 46 LEU C C 46 178.192 178.192 179.025 -0.833 19876 5656 1 9 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.479 -0.436 19876 5657 1 9 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.489 -0.659 19876 5658 1 9 . 1 1 46 46 LEU H H 46 8.239 8.239 8.823 -0.584 19876 5659 1 9 . 1 1 47 47 GLN N N 47 119.394 119.394 118.750 0.644 19876 5660 1 9 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.916 0.055 19876 5661 1 9 . 1 1 47 47 GLN C C 47 177.762 177.762 178.740 -0.978 19876 5662 1 9 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.327 -0.636 19876 5663 1 9 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.710 -0.583 19876 5664 1 9 . 1 1 47 47 GLN H H 47 7.825 7.825 7.696 0.129 19876 5665 1 9 . 1 1 48 48 LEU N N 48 122.808 122.808 120.108 2.700 19876 5666 1 9 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.787 -0.044 19876 5667 1 9 . 1 1 48 48 LEU C C 48 177.366 177.366 178.758 -1.392 19876 5668 1 9 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.939 -0.665 19876 5669 1 9 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.981 0.478 19876 5670 1 9 . 1 1 48 48 LEU H H 48 7.625 7.625 8.830 -1.205 19876 5671 1 9 . 1 1 49 49 ASN N N 49 117.784 117.784 118.129 -0.345 19876 5672 1 9 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.377 -0.091 19876 5673 1 9 . 1 1 49 49 ASN C C 49 176.893 176.893 177.424 -0.531 19876 5674 1 9 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.188 -1.052 19876 5675 1 9 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.212 -0.602 19876 5676 1 9 . 1 1 49 49 ASN H H 49 7.797 7.797 8.383 -0.586 19876 5677 1 9 . 1 1 50 50 ASP N N 50 120.887 120.887 121.331 -0.444 19876 5678 1 9 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.474 -0.170 19876 5679 1 9 . 1 1 50 50 ASP C C 50 177.452 177.452 178.525 -1.073 19876 5680 1 9 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.111 0.276 19876 5681 1 9 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.989 -0.399 19876 5682 1 9 . 1 1 50 50 ASP H H 50 7.868 7.868 8.323 -0.455 19876 5683 1 9 . 1 1 51 51 LEU N N 51 123.117 123.117 120.997 2.120 19876 5684 1 9 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.877 0.281 19876 5685 1 9 . 1 1 51 51 LEU C C 51 177.345 177.345 179.255 -1.910 19876 5686 1 9 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.274 -1.310 19876 5687 1 9 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.072 -1.071 19876 5688 1 9 . 1 1 51 51 LEU H H 51 7.627 7.627 8.581 -0.954 19876 5689 1 9 . 1 1 52 52 ILE N N 52 120.007 120.007 118.672 1.335 19876 5690 1 9 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.536 -0.169 19876 5691 1 9 . 1 1 52 52 ILE C C 52 176.246 176.246 178.167 -1.921 19876 5692 1 9 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.956 1.064 19876 5693 1 9 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.572 0.610 19876 5694 1 9 . 1 1 52 52 ILE H H 52 8.309 8.309 8.806 -0.497 19876 5695 1 9 . 1 1 53 53 GLU N N 53 117.619 117.619 119.475 -1.856 19876 5696 1 9 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.976 -0.045 19876 5697 1 9 . 1 1 53 53 GLU C C 53 178.193 178.193 178.999 -0.806 19876 5698 1 9 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.757 -0.304 19876 5699 1 9 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.492 -0.144 19876 5700 1 9 . 1 1 53 53 GLU H H 53 7.965 7.965 8.049 -0.084 19876 5701 1 9 . 1 1 54 54 HIS N N 54 120.335 120.335 121.042 -0.707 19876 5702 1 9 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.418 -0.106 19876 5703 1 9 . 1 1 54 54 HIS C C 54 177.331 177.331 178.143 -0.812 19876 5704 1 9 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.417 0.145 19876 5705 1 9 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.764 0.433 19876 5706 1 9 . 1 1 54 54 HIS H H 54 8.117 8.117 8.867 -0.750 19876 5707 1 9 . 1 1 55 55 ILE N N 55 120.694 120.694 119.654 1.040 19876 5708 1 9 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.802 -0.363 19876 5709 1 9 . 1 1 55 55 ILE C C 55 176.281 176.281 177.804 -1.523 19876 5710 1 9 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.302 0.649 19876 5711 1 9 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.609 -0.580 19876 5712 1 9 . 1 1 55 55 ILE H H 55 8.655 8.655 8.691 -0.036 19876 5713 1 9 . 1 1 56 56 ALA N N 56 123.896 123.896 122.798 1.098 19876 5714 1 9 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.925 -0.164 19876 5715 1 9 . 1 1 56 56 ALA C C 56 179.581 179.581 179.675 -0.094 19876 5716 1 9 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.762 -0.150 19876 5717 1 9 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.080 -0.431 19876 5718 1 9 . 1 1 56 56 ALA H H 56 9.063 9.063 8.607 0.456 19876 5719 1 9 . 1 1 57 57 SER N N 57 114.014 114.014 115.463 -1.449 19876 5720 1 9 . 1 1 57 57 SER HA H 57 4.165 4.165 4.217 -0.052 19876 5721 1 9 . 1 1 57 57 SER C C 57 175.540 175.540 176.755 -1.215 19876 5722 1 9 . 1 1 57 57 SER CA C 57 61.491 61.491 61.163 0.329 19876 5723 1 9 . 1 1 57 57 SER CB C 57 62.640 62.640 63.270 -0.630 19876 5724 1 9 . 1 1 57 57 SER H H 57 7.918 7.918 8.858 -0.940 19876 5725 1 9 . 1 1 58 58 PHE N N 58 125.013 125.013 124.530 0.483 19876 5726 1 9 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.346 -0.328 19876 5727 1 9 . 1 1 58 58 PHE C C 58 177.343 177.343 177.336 0.007 19876 5728 1 9 . 1 1 58 58 PHE CA C 58 61.676 61.676 61.464 0.212 19876 5729 1 9 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.288 -0.104 19876 5730 1 9 . 1 1 58 58 PHE H H 58 8.024 8.024 8.590 -0.566 19876 5731 1 9 . 1 1 59 59 VAL N N 59 120.373 120.373 120.651 -0.278 19876 5732 1 9 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.437 0.220 19876 5733 1 9 . 1 1 59 59 VAL C C 59 175.403 175.403 177.931 -2.528 19876 5734 1 9 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.267 -1.165 19876 5735 1 9 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.642 -0.204 19876 5736 1 9 . 1 1 59 59 VAL H H 59 9.263 9.263 9.064 0.199 19876 5737 1 9 . 1 1 60 60 MET N N 60 120.360 120.360 119.322 1.038 19876 5738 1 9 . 1 1 60 60 MET HA H 60 4.002 4.002 3.946 0.056 19876 5739 1 9 . 1 1 60 60 MET C C 60 177.417 177.417 178.277 -0.860 19876 5740 1 9 . 1 1 60 60 MET CA C 60 59.396 59.396 59.896 -0.500 19876 5741 1 9 . 1 1 60 60 MET CB C 60 31.986 31.986 32.514 -0.528 19876 5742 1 9 . 1 1 60 60 MET H H 60 7.826 7.826 8.512 -0.686 19876 5743 1 9 . 1 1 61 61 SER N N 61 113.289 113.289 115.220 -1.931 19876 5744 1 9 . 1 1 61 61 SER HA H 61 4.035 4.035 4.127 -0.092 19876 5745 1 9 . 1 1 61 61 SER CA C 61 61.619 61.619 61.315 0.304 19876 5746 1 9 . 1 1 61 61 SER CB C 61 62.600 62.600 62.567 0.033 19876 5747 1 9 . 1 1 61 61 SER H H 61 7.230 7.230 8.315 -1.085 19876 5748 1 9 . 1 1 62 62 PHE N N 62 126.395 126.395 123.727 2.668 19876 5749 1 9 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.973 -0.332 19876 5750 1 9 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.039 -0.096 19876 5751 1 9 . 1 1 62 62 PHE CB C 62 40.462 40.462 39.026 1.436 19876 5752 1 9 . 1 1 62 62 PHE H H 62 8.681 8.681 8.452 0.229 19876 5753 1 9 . 1 1 63 63 LYS N N 63 116.676 116.676 118.489 -1.813 19876 5754 1 9 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.319 -0.287 19876 5755 1 9 . 1 1 63 63 LYS C C 63 177.262 177.262 178.691 -1.429 19876 5756 1 9 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.130 -0.442 19876 5757 1 9 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.599 1.250 19876 5758 1 9 . 1 1 63 63 LYS H H 63 8.585 8.585 8.766 -0.181 19876 5759 1 9 . 1 1 64 64 ILE N N 64 117.020 117.020 118.367 -1.347 19876 5760 1 9 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.782 -0.259 19876 5761 1 9 . 1 1 64 64 ILE C C 64 176.151 176.151 177.837 -1.686 19876 5762 1 9 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.837 -0.844 19876 5763 1 9 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.646 0.531 19876 5764 1 9 . 1 1 64 64 ILE H H 64 6.751 6.751 7.190 -0.439 19876 5765 1 9 . 1 1 65 65 LYS N N 65 120.165 120.165 118.557 1.608 19876 5766 1 9 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.999 -0.560 19876 5767 1 9 . 1 1 65 65 LYS C C 65 175.133 175.133 177.251 -2.118 19876 5768 1 9 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.483 0.472 19876 5769 1 9 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.931 0.026 19876 5770 1 9 . 1 1 65 65 LYS H H 65 7.058 7.058 8.064 -1.006 19876 5771 1 9 . 1 1 66 66 TYR N N 66 115.421 115.421 121.893 -6.472 19876 5772 1 9 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.767 0.121 19876 5773 1 9 . 1 1 66 66 TYR C C 66 173.061 173.061 173.298 -0.237 19876 5774 1 9 . 1 1 66 66 TYR CA C 66 54.529 54.529 54.506 0.023 19876 5775 1 9 . 1 1 66 66 TYR CB C 66 36.669 36.669 40.344 -3.675 19876 5776 1 9 . 1 1 66 66 TYR H H 66 7.784 7.784 8.186 -0.402 19876 5777 1 9 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.472 -0.115 19876 5778 1 9 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.210 0.300 19876 5779 1 9 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.175 -0.269 19876 5780 1 9 . 1 1 68 68 ASP N N 68 117.110 117.110 117.681 -0.571 19876 5781 1 9 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.648 0.079 19876 5782 1 9 . 1 1 68 68 ASP C C 68 175.024 175.024 176.401 -1.377 19876 5783 1 9 . 1 1 68 68 ASP CA C 68 54.743 54.743 53.814 0.929 19876 5784 1 9 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.367 0.127 19876 5785 1 9 . 1 1 68 68 ASP H H 68 8.548 8.548 7.578 0.970 19876 5786 1 9 . 1 1 69 69 ASP N N 69 122.994 122.994 119.849 3.145 19876 5787 1 9 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.889 0.102 19876 5788 1 9 . 1 1 69 69 ASP C C 69 174.782 174.782 178.170 -3.388 19876 5789 1 9 . 1 1 69 69 ASP CA C 69 54.315 54.315 56.127 -1.812 19876 5790 1 9 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.965 -0.802 19876 5791 1 9 . 1 1 69 69 ASP H H 69 7.545 7.545 7.518 0.027 19876 5792 1 9 . 1 1 70 70 GLY N N 70 107.712 107.712 108.612 -0.900 19876 5793 1 9 . 1 1 70 70 GLY C C 70 173.987 173.987 175.903 -1.916 19876 5794 1 9 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.421 -0.089 19876 5795 1 9 . 1 1 70 70 GLY H H 70 7.879 7.879 8.704 -0.825 19876 5796 1 9 . 1 1 71 71 ASP N N 71 119.785 119.785 122.396 -2.611 19876 5797 1 9 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.687 -0.492 19876 5798 1 9 . 1 1 71 71 ASP C C 71 177.114 177.114 178.370 -1.256 19876 5799 1 9 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.268 -0.216 19876 5800 1 9 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.838 -1.493 19876 5801 1 9 . 1 1 71 71 ASP H H 71 8.447 8.447 7.686 0.761 19876 5802 1 9 . 1 1 72 72 LEU N N 72 119.776 119.776 121.202 -1.426 19876 5803 1 9 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.859 0.008 19876 5804 1 9 . 1 1 72 72 LEU C C 72 176.531 176.531 178.561 -2.030 19876 5805 1 9 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.091 0.361 19876 5806 1 9 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.604 0.131 19876 5807 1 9 . 1 1 72 72 LEU H H 72 7.562 7.562 7.584 -0.022 19876 5808 1 9 . 1 1 73 73 SER N N 73 113.964 113.964 115.837 -1.873 19876 5809 1 9 . 1 1 73 73 SER HA H 73 3.605 3.605 4.032 -0.427 19876 5810 1 9 . 1 1 73 73 SER C C 73 174.610 174.610 176.401 -1.791 19876 5811 1 9 . 1 1 73 73 SER CA C 73 62.161 62.161 62.559 -0.398 19876 5812 1 9 . 1 1 73 73 SER CB C 73 62.158 62.158 62.781 -0.622 19876 5813 1 9 . 1 1 73 73 SER H H 73 8.050 8.050 8.844 -0.794 19876 5814 1 9 . 1 1 74 74 GLU N N 74 119.742 119.742 122.445 -2.703 19876 5815 1 9 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.155 -0.084 19876 5816 1 9 . 1 1 74 74 GLU C C 74 178.089 178.089 179.041 -0.952 19876 5817 1 9 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.091 0.011 19876 5818 1 9 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.256 -0.043 19876 5819 1 9 . 1 1 74 74 GLU H H 74 8.623 8.623 8.318 0.305 19876 5820 1 9 . 1 1 75 75 LEU N N 75 122.325 122.325 121.499 0.826 19876 5821 1 9 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.080 0.163 19876 5822 1 9 . 1 1 75 75 LEU C C 75 177.962 177.962 178.836 -0.874 19876 5823 1 9 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.401 -0.021 19876 5824 1 9 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.436 -0.032 19876 5825 1 9 . 1 1 75 75 LEU H H 75 7.255 7.255 7.484 -0.229 19876 5826 1 9 . 1 1 76 76 VAL N N 76 119.514 119.514 120.398 -0.884 19876 5827 1 9 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.722 -0.135 19876 5828 1 9 . 1 1 76 76 VAL C C 76 176.909 176.909 178.165 -1.256 19876 5829 1 9 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.802 -0.541 19876 5830 1 9 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.480 -0.537 19876 5831 1 9 . 1 1 76 76 VAL H H 76 8.235 8.235 8.848 -0.613 19876 5832 1 9 . 1 1 77 77 GLU N N 77 118.692 118.692 119.792 -1.100 19876 5833 1 9 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.816 -0.077 19876 5834 1 9 . 1 1 77 77 GLU C C 77 177.692 177.692 179.032 -1.340 19876 5835 1 9 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.176 0.831 19876 5836 1 9 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.221 -0.064 19876 5837 1 9 . 1 1 77 77 GLU H H 77 8.204 8.204 8.987 -0.783 19876 5838 1 9 . 1 1 78 78 GLU N N 78 121.945 121.945 119.968 1.977 19876 5839 1 9 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.036 -0.008 19876 5840 1 9 . 1 1 78 78 GLU C C 78 176.559 176.559 178.897 -2.338 19876 5841 1 9 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.781 -0.207 19876 5842 1 9 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.774 0.111 19876 5843 1 9 . 1 1 78 78 GLU H H 78 8.058 8.058 8.222 -0.164 19876 5844 1 9 . 1 1 79 79 TYR N N 79 119.945 119.945 121.639 -1.694 19876 5845 1 9 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.505 -0.105 19876 5846 1 9 . 1 1 79 79 TYR C C 79 178.365 178.365 178.224 0.141 19876 5847 1 9 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.155 -0.054 19876 5848 1 9 . 1 1 79 79 TYR CB C 79 38.638 38.638 37.974 0.664 19876 5849 1 9 . 1 1 79 79 TYR H H 79 8.347 8.347 8.689 -0.342 19876 5850 1 9 . 1 1 80 80 LEU N N 80 123.586 123.586 120.604 2.982 19876 5851 1 9 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.614 0.035 19876 5852 1 9 . 1 1 80 80 LEU C C 80 177.594 177.594 179.255 -1.661 19876 5853 1 9 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.014 0.665 19876 5854 1 9 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.219 -0.577 19876 5855 1 9 . 1 1 80 80 LEU H H 80 9.113 9.113 8.688 0.425 19876 5856 1 9 . 1 1 81 81 ASP N N 81 121.522 121.522 119.255 2.267 19876 5857 1 9 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.284 0.122 19876 5858 1 9 . 1 1 81 81 ASP C C 81 178.021 178.021 178.350 -0.329 19876 5859 1 9 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.029 -0.340 19876 5860 1 9 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.609 0.033 19876 5861 1 9 . 1 1 81 81 ASP H H 81 8.228 8.228 8.554 -0.326 19876 5862 1 9 . 1 1 82 82 ASP N N 82 120.931 120.931 119.451 1.480 19876 5863 1 9 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.361 0.061 19876 5864 1 9 . 1 1 82 82 ASP C C 82 178.342 178.342 178.847 -0.505 19876 5865 1 9 . 1 1 82 82 ASP CA C 82 57.907 57.907 58.052 -0.145 19876 5866 1 9 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.787 0.046 19876 5867 1 9 . 1 1 82 82 ASP H H 82 9.139 9.139 8.715 0.424 19876 5868 1 9 . 1 1 83 83 THR N N 83 118.686 118.686 117.373 1.313 19876 5869 1 9 . 1 1 83 83 THR HA H 83 3.415 3.415 3.418 -0.003 19876 5870 1 9 . 1 1 83 83 THR C C 83 173.663 173.663 176.308 -2.645 19876 5871 1 9 . 1 1 83 83 THR CA C 83 67.258 67.258 66.338 0.921 19876 5872 1 9 . 1 1 83 83 THR CB C 83 68.017 68.017 68.631 -0.614 19876 5873 1 9 . 1 1 83 83 THR H H 83 8.394 8.394 8.850 -0.456 19876 5874 1 9 . 1 1 84 84 TYR N N 84 122.004 122.004 123.329 -1.325 19876 5875 1 9 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.082 -0.339 19876 5876 1 9 . 1 1 84 84 TYR C C 84 177.983 177.983 177.738 0.245 19876 5877 1 9 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.341 -0.234 19876 5878 1 9 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.474 -0.023 19876 5879 1 9 . 1 1 84 84 TYR H H 84 8.561 8.561 9.015 -0.454 19876 5880 1 9 . 1 1 85 85 THR N N 85 116.249 116.249 115.871 0.378 19876 5881 1 9 . 1 1 85 85 THR HA H 85 3.409 3.409 3.848 -0.439 19876 5882 1 9 . 1 1 85 85 THR C C 85 174.628 174.628 176.703 -2.075 19876 5883 1 9 . 1 1 85 85 THR CA C 85 66.483 66.483 66.463 0.020 19876 5884 1 9 . 1 1 85 85 THR CB C 85 68.604 68.604 68.596 0.008 19876 5885 1 9 . 1 1 85 85 THR H H 85 8.749 8.749 8.893 -0.144 19876 5886 1 9 . 1 1 86 86 LEU N N 86 121.835 121.835 122.810 -0.975 19876 5887 1 9 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.799 -0.244 19876 5888 1 9 . 1 1 86 86 LEU C C 86 176.057 176.057 179.073 -3.016 19876 5889 1 9 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.508 0.498 19876 5890 1 9 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.384 1.389 19876 5891 1 9 . 1 1 86 86 LEU H H 86 7.257 7.257 8.441 -1.184 19876 5892 1 9 . 1 1 87 87 PHE N N 87 111.264 111.264 116.666 -5.402 19876 5893 1 9 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.160 -0.183 19876 5894 1 9 . 1 1 87 87 PHE C C 87 174.687 174.687 178.141 -3.454 19876 5895 1 9 . 1 1 87 87 PHE CA C 87 60.740 60.740 59.958 0.782 19876 5896 1 9 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.599 0.833 19876 5897 1 9 . 1 1 87 87 PHE H H 87 7.168 7.168 8.175 -1.007 19876 5898 1 9 . 1 1 88 88 SER N N 88 112.848 112.848 113.861 -1.013 19876 5899 1 9 . 1 1 88 88 SER HA H 88 4.207 4.207 4.171 0.036 19876 5900 1 9 . 1 1 88 88 SER C C 88 172.760 172.760 174.551 -1.791 19876 5901 1 9 . 1 1 88 88 SER CA C 88 58.725 58.725 60.074 -1.349 19876 5902 1 9 . 1 1 88 88 SER CB C 88 63.342 63.342 63.340 0.002 19876 5903 1 9 . 1 1 88 88 SER H H 88 7.290 7.290 7.935 -0.645 19876 5904 1 9 . 1 1 89 89 SER N N 89 116.554 116.554 117.456 -0.902 19876 5905 1 9 . 1 1 89 89 SER HA H 89 4.347 4.347 4.491 -0.144 19876 5906 1 9 . 1 1 89 89 SER C C 89 172.251 172.251 174.057 -1.806 19876 5907 1 9 . 1 1 89 89 SER CA C 89 57.597 57.597 57.870 -0.273 19876 5908 1 9 . 1 1 89 89 SER CB C 89 64.426 64.426 63.449 0.977 19876 5909 1 9 . 1 1 89 89 SER H H 89 7.064 7.064 7.560 -0.496 19876 5910 1 9 . 1 1 90 90 TYR N N 90 122.348 122.348 127.133 -4.785 19876 5911 1 9 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.571 -0.228 19876 5912 1 9 . 1 1 90 90 TYR C C 90 175.043 175.043 176.297 -1.254 19876 5913 1 9 . 1 1 90 90 TYR CA C 90 58.972 58.972 60.594 -1.622 19876 5914 1 9 . 1 1 90 90 TYR CB C 90 37.626 37.626 39.200 -1.574 19876 5915 1 9 . 1 1 90 90 TYR H H 90 8.446 8.446 8.792 -0.346 19876 5916 1 9 . 1 1 91 91 GLY N N 91 111.349 111.349 104.000 7.349 19876 5917 1 9 . 1 1 91 91 GLY C C 91 170.874 170.874 173.135 -2.261 19876 5918 1 9 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.828 0.906 19876 5919 1 9 . 1 1 91 91 GLY H H 91 7.820 7.820 7.992 -0.172 19876 5920 1 9 . 1 1 92 92 ILE N N 92 121.703 121.703 122.000 -0.297 19876 5921 1 9 . 1 1 92 92 ILE HA H 92 3.878 3.878 4.075 -0.197 19876 5922 1 9 . 1 1 92 92 ILE C C 92 173.956 173.956 175.359 -1.403 19876 5923 1 9 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.138 -0.011 19876 5924 1 9 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.508 0.934 19876 5925 1 9 . 1 1 92 92 ILE H H 92 8.032 8.032 8.311 -0.279 19876 5926 1 9 . 1 1 93 93 ASN N N 93 125.791 125.791 126.512 -0.721 19876 5927 1 9 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.908 0.006 19876 5928 1 9 . 1 1 93 93 ASN C C 93 173.468 173.468 175.265 -1.797 19876 5929 1 9 . 1 1 93 93 ASN CA C 93 51.442 51.442 51.746 -0.304 19876 5930 1 9 . 1 1 93 93 ASN CB C 93 40.147 40.147 41.655 -1.508 19876 5931 1 9 . 1 1 93 93 ASN H H 93 8.423 8.423 8.267 0.156 19876 5932 1 9 . 1 1 94 94 ASP N N 94 122.019 122.019 122.498 -0.479 19876 5933 1 9 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.518 -0.027 19876 5934 1 9 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.950 0.168 19876 5935 1 9 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.180 0.108 19876 5936 1 9 . 1 1 94 94 ASP H H 94 8.710 8.710 8.873 -0.163 19876 5937 1 9 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.282 -0.128 19876 5938 1 9 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.115 0.439 19876 5939 1 9 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.377 -0.628 19876 5940 1 9 . 1 1 96 96 GLU N N 96 117.965 117.965 118.072 -0.107 19876 5941 1 9 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.020 -0.159 19876 5942 1 9 . 1 1 96 96 GLU C C 96 177.730 177.730 179.080 -1.350 19876 5943 1 9 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.324 -0.442 19876 5944 1 9 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.863 -0.024 19876 5945 1 9 . 1 1 96 96 GLU H H 96 7.954 7.954 8.584 -0.630 19876 5946 1 9 . 1 1 97 97 LEU N N 97 124.427 124.427 120.531 3.896 19876 5947 1 9 . 1 1 97 97 LEU HA H 97 4.109 4.109 4.036 0.073 19876 5948 1 9 . 1 1 97 97 LEU C C 97 177.211 177.211 178.760 -1.549 19876 5949 1 9 . 1 1 97 97 LEU CA C 97 58.051 58.051 57.975 0.076 19876 5950 1 9 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.835 -0.064 19876 5951 1 9 . 1 1 97 97 LEU H H 97 7.825 7.825 7.956 -0.131 19876 5952 1 9 . 1 1 98 98 GLN N N 98 117.195 117.195 118.740 -1.545 19876 5953 1 9 . 1 1 98 98 GLN HA H 98 3.990 3.990 3.978 0.012 19876 5954 1 9 . 1 1 98 98 GLN C C 98 177.762 177.762 178.715 -0.953 19876 5955 1 9 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.797 -0.174 19876 5956 1 9 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.927 0.074 19876 5957 1 9 . 1 1 98 98 GLN H H 98 8.481 8.481 8.894 -0.413 19876 5958 1 9 . 1 1 99 99 ARG N N 99 119.687 119.687 120.638 -0.951 19876 5959 1 9 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.048 -0.126 19876 5960 1 9 . 1 1 99 99 ARG C C 99 176.055 176.055 178.378 -2.323 19876 5961 1 9 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.153 0.460 19876 5962 1 9 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.818 0.504 19876 5963 1 9 . 1 1 99 99 ARG H H 99 7.836 7.836 8.639 -0.803 19876 5964 1 9 . 1 1 100 100 TRP N N 100 119.762 119.762 121.371 -1.609 19876 5965 1 9 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.294 -0.065 19876 5966 1 9 . 1 1 100 100 TRP C C 100 176.004 176.004 178.727 -2.723 19876 5967 1 9 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.626 0.379 19876 5968 1 9 . 1 1 100 100 TRP CB C 100 28.948 28.948 28.825 0.123 19876 5969 1 9 . 1 1 100 100 TRP H H 100 7.731 7.731 8.186 -0.455 19876 5970 1 9 . 1 1 101 101 GLN N N 101 115.464 115.464 117.118 -1.654 19876 5971 1 9 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.735 -0.250 19876 5972 1 9 . 1 1 101 101 GLN C C 101 177.498 177.498 178.877 -1.379 19876 5973 1 9 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.209 -0.045 19876 5974 1 9 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.285 -0.203 19876 5975 1 9 . 1 1 101 101 GLN H H 101 8.277 8.277 8.721 -0.444 19876 5976 1 9 . 1 1 102 102 LYS N N 102 119.856 119.856 120.365 -0.509 19876 5977 1 9 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.955 -0.043 19876 5978 1 9 . 1 1 102 102 LYS C C 102 178.364 178.364 179.600 -1.236 19876 5979 1 9 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.619 -0.440 19876 5980 1 9 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.368 -0.543 19876 5981 1 9 . 1 1 102 102 LYS H H 102 8.047 8.047 8.523 -0.476 19876 5982 1 9 . 1 1 103 103 THR N N 103 121.217 121.217 116.260 4.957 19876 5983 1 9 . 1 1 103 103 THR HA H 103 3.658 3.658 3.891 -0.233 19876 5984 1 9 . 1 1 103 103 THR C C 103 174.266 174.266 176.043 -1.777 19876 5985 1 9 . 1 1 103 103 THR CA C 103 66.206 66.206 66.692 -0.486 19876 5986 1 9 . 1 1 103 103 THR CB C 103 67.515 67.515 68.510 -0.994 19876 5987 1 9 . 1 1 103 103 THR H H 103 8.816 8.816 8.540 0.276 19876 5988 1 9 . 1 1 104 104 LYS N N 104 122.265 122.265 121.506 0.759 19876 5989 1 9 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.426 -0.375 19876 5990 1 9 . 1 1 104 104 LYS C C 104 176.952 176.952 178.684 -1.732 19876 5991 1 9 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.214 1.306 19876 5992 1 9 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.431 -1.091 19876 5993 1 9 . 1 1 104 104 LYS H H 104 8.258 8.258 8.075 0.183 19876 5994 1 9 . 1 1 105 105 GLU N N 105 118.912 118.912 118.653 0.259 19876 5995 1 9 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.765 -0.168 19876 5996 1 9 . 1 1 105 105 GLU C C 105 178.038 178.038 179.037 -0.999 19876 5997 1 9 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.360 0.158 19876 5998 1 9 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.808 0.224 19876 5999 1 9 . 1 1 105 105 GLU H H 105 7.963 7.963 8.382 -0.419 19876 6000 1 9 . 1 1 106 106 ARG N N 106 120.201 120.201 119.986 0.215 19876 6001 1 9 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.919 -0.223 19876 6002 1 9 . 1 1 106 106 ARG C C 106 177.744 177.744 178.808 -1.064 19876 6003 1 9 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.685 0.309 19876 6004 1 9 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.925 0.863 19876 6005 1 9 . 1 1 106 106 ARG H H 106 7.940 7.940 7.909 0.031 19876 6006 1 9 . 1 1 107 107 LEU N N 107 120.982 120.982 120.345 0.637 19876 6007 1 9 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.870 -0.125 19876 6008 1 9 . 1 1 107 107 LEU C C 107 176.173 176.173 179.008 -2.835 19876 6009 1 9 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.340 0.097 19876 6010 1 9 . 1 1 107 107 LEU CB C 107 40.869 40.869 40.646 0.223 19876 6011 1 9 . 1 1 107 107 LEU H H 107 8.242 8.242 8.416 -0.174 19876 6012 1 9 . 1 1 108 108 PHE N N 108 117.793 117.793 119.105 -1.312 19876 6013 1 9 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.387 -0.385 19876 6014 1 9 . 1 1 108 108 PHE C C 108 177.654 177.654 178.615 -0.961 19876 6015 1 9 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.512 -0.323 19876 6016 1 9 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.003 -1.218 19876 6017 1 9 . 1 1 108 108 PHE H H 108 8.772 8.772 9.161 -0.389 19876 6018 1 9 . 1 1 109 109 ARG N N 109 121.726 121.726 119.537 2.189 19876 6019 1 9 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.273 -0.267 19876 6020 1 9 . 1 1 109 109 ARG C C 109 177.785 177.785 179.420 -1.635 19876 6021 1 9 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.395 0.947 19876 6022 1 9 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.864 -0.066 19876 6023 1 9 . 1 1 109 109 ARG H H 109 7.865 7.865 8.788 -0.923 19876 6024 1 9 . 1 1 110 110 LEU N N 110 121.486 121.486 122.227 -0.741 19876 6025 1 9 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.305 -0.211 19876 6026 1 9 . 1 1 110 110 LEU C C 110 178.537 178.537 178.506 0.031 19876 6027 1 9 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.894 -0.053 19876 6028 1 9 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.163 -0.343 19876 6029 1 9 . 1 1 110 110 LEU H H 110 7.338 7.338 8.312 -0.974 19876 6030 1 9 . 1 1 111 111 PHE N N 111 115.883 115.883 117.620 -1.737 19876 6031 1 9 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.196 0.120 19876 6032 1 9 . 1 1 111 111 PHE C C 111 175.369 175.369 176.853 -1.484 19876 6033 1 9 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.154 -1.075 19876 6034 1 9 . 1 1 111 111 PHE CB C 111 38.511 38.511 37.989 0.522 19876 6035 1 9 . 1 1 111 111 PHE H H 111 7.584 7.584 8.886 -1.302 19876 6036 1 9 . 1 1 112 112 SER N N 112 111.693 111.693 113.848 -2.155 19876 6037 1 9 . 1 1 112 112 SER HA H 112 4.329 4.329 4.412 -0.083 19876 6038 1 9 . 1 1 112 112 SER C C 112 173.353 173.353 175.611 -2.258 19876 6039 1 9 . 1 1 112 112 SER CA C 112 59.050 59.050 59.552 -0.502 19876 6040 1 9 . 1 1 112 112 SER CB C 112 63.841 63.841 63.866 -0.025 19876 6041 1 9 . 1 1 112 112 SER H H 112 7.554 7.554 7.608 -0.054 19876 6042 1 9 . 1 1 113 113 GLY N N 113 109.665 109.665 108.129 1.536 19876 6043 1 9 . 1 1 113 113 GLY C C 113 173.407 173.407 175.786 -2.379 19876 6044 1 9 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.249 0.125 19876 6045 1 9 . 1 1 113 113 GLY H H 113 7.781 7.781 8.327 -0.546 19876 6046 1 9 . 1 1 114 114 GLU N N 114 121.028 121.028 123.309 -2.281 19876 6047 1 9 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.908 0.094 19876 6048 1 9 . 1 1 114 114 GLU C C 114 175.971 175.971 177.716 -1.745 19876 6049 1 9 . 1 1 114 114 GLU CA C 114 58.310 58.310 59.435 -1.125 19876 6050 1 9 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.490 0.674 19876 6051 1 9 . 1 1 114 114 GLU H H 114 8.414 8.414 8.211 0.203 19876 6052 1 9 . 1 1 115 115 TYR N N 115 118.828 118.828 116.026 2.802 19876 6053 1 9 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.619 -0.307 19876 6054 1 9 . 1 1 115 115 TYR C C 115 175.248 175.248 178.252 -3.004 19876 6055 1 9 . 1 1 115 115 TYR CA C 115 59.734 59.734 60.251 -0.517 19876 6056 1 9 . 1 1 115 115 TYR CB C 115 38.371 38.371 39.394 -1.023 19876 6057 1 9 . 1 1 115 115 TYR H H 115 7.939 7.939 7.525 0.414 19876 6058 1 9 . 1 1 116 116 ILE N N 116 120.412 120.412 119.282 1.130 19876 6059 1 9 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.637 0.106 19876 6060 1 9 . 1 1 116 116 ILE C C 116 175.591 175.591 177.911 -2.320 19876 6061 1 9 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.493 -1.357 19876 6062 1 9 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.522 0.705 19876 6063 1 9 . 1 1 116 116 ILE H H 116 7.892 7.892 7.813 0.079 19876 6064 1 9 . 1 1 117 117 SER N N 117 117.142 117.142 114.641 2.501 19876 6065 1 9 . 1 1 117 117 SER HA H 117 4.141 4.141 4.279 -0.138 19876 6066 1 9 . 1 1 117 117 SER C C 117 174.795 174.795 176.123 -1.328 19876 6067 1 9 . 1 1 117 117 SER CA C 117 60.437 60.437 61.053 -0.616 19876 6068 1 9 . 1 1 117 117 SER CB C 117 62.987 62.987 63.100 -0.113 19876 6069 1 9 . 1 1 117 117 SER H H 117 8.127 8.127 8.220 -0.093 19876 6070 1 9 . 1 1 118 118 THR N N 118 115.779 115.779 115.441 0.338 19876 6071 1 9 . 1 1 118 118 THR HA H 118 3.987 3.987 4.097 -0.110 19876 6072 1 9 . 1 1 118 118 THR C C 118 174.025 174.025 175.728 -1.703 19876 6073 1 9 . 1 1 118 118 THR CA C 118 64.026 64.026 64.686 -0.660 19876 6074 1 9 . 1 1 118 118 THR CB C 118 68.953 68.953 68.946 0.007 19876 6075 1 9 . 1 1 118 118 THR H H 118 7.872 7.872 7.463 0.409 19876 6076 1 9 . 1 1 119 119 LEU N N 119 122.845 122.845 121.944 0.901 19876 6077 1 9 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.106 -0.058 19876 6078 1 9 . 1 1 119 119 LEU C C 119 176.246 176.246 176.088 0.158 19876 6079 1 9 . 1 1 119 119 LEU CA C 119 56.081 56.081 56.994 -0.913 19876 6080 1 9 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.242 -0.037 19876 6081 1 9 . 1 1 119 119 LEU H H 119 7.679 7.679 7.252 0.427 19876 6082 1 9 . 1 1 120 120 MET N N 120 117.447 117.447 115.492 1.955 19876 6083 1 9 . 1 1 120 120 MET HA H 120 4.243 4.243 4.704 -0.461 19876 6084 1 9 . 1 1 120 120 MET C C 120 174.594 174.594 176.098 -1.504 19876 6085 1 9 . 1 1 120 120 MET CA C 120 55.470 55.470 54.571 0.899 19876 6086 1 9 . 1 1 120 120 MET CB C 120 32.606 32.606 32.736 -0.130 19876 6087 1 9 . 1 1 120 120 MET H H 120 7.812 7.812 8.308 -0.496 19876 6088 1 9 . 1 1 121 121 LYS N N 121 121.578 121.578 127.329 -5.751 19876 6089 1 9 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.124 0.111 19876 6090 1 9 . 1 1 121 121 LYS C C 121 174.539 174.539 176.809 -2.270 19876 6091 1 9 . 1 1 121 121 LYS CA C 121 56.481 56.481 59.016 -2.535 19876 6092 1 9 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.375 0.591 19876 6093 1 9 . 1 1 121 121 LYS H H 121 7.790 7.790 8.579 -0.789 19876 6094 1 10 . 1 1 2 2 ASP N N 2 122.949 122.949 126.375 -3.426 19876 6095 1 10 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.327 0.117 19876 6096 1 10 . 1 1 2 2 ASP C C 2 174.891 174.891 175.264 -0.373 19876 6097 1 10 . 1 1 2 2 ASP CA C 2 53.622 53.622 55.367 -1.745 19876 6098 1 10 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.082 0.237 19876 6099 1 10 . 1 1 2 2 ASP H H 2 8.386 8.386 8.544 -0.158 19876 6100 1 10 . 1 1 3 3 GLU N N 3 119.296 119.296 120.942 -1.646 19876 6101 1 10 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.068 -0.204 19876 6102 1 10 . 1 1 3 3 GLU C C 3 175.006 175.006 174.927 0.079 19876 6103 1 10 . 1 1 3 3 GLU CA C 3 58.073 58.073 57.096 0.977 19876 6104 1 10 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.979 -0.412 19876 6105 1 10 . 1 1 3 3 GLU H H 3 8.601 8.601 8.487 0.114 19876 6106 1 10 . 1 1 4 4 TYR N N 4 118.038 118.038 120.498 -2.460 19876 6107 1 10 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.527 -0.074 19876 6108 1 10 . 1 1 4 4 TYR C C 4 174.761 174.761 176.012 -1.251 19876 6109 1 10 . 1 1 4 4 TYR CA C 4 57.574 57.574 58.975 -1.401 19876 6110 1 10 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.199 -0.204 19876 6111 1 10 . 1 1 4 4 TYR H H 4 8.049 8.049 8.438 -0.389 19876 6112 1 10 . 1 1 5 5 SER N N 5 118.519 118.519 116.970 1.549 19876 6113 1 10 . 1 1 5 5 SER HA H 5 4.444 4.444 4.858 -0.414 19876 6114 1 10 . 1 1 5 5 SER C C 5 171.907 171.907 172.197 -0.290 19876 6115 1 10 . 1 1 5 5 SER CA C 5 57.173 57.173 56.418 0.755 19876 6116 1 10 . 1 1 5 5 SER CB C 5 62.104 62.104 63.744 -1.640 19876 6117 1 10 . 1 1 5 5 SER H H 5 7.759 7.759 8.110 -0.351 19876 6118 1 10 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.416 0.028 19876 6119 1 10 . 1 1 6 6 PRO CA C 6 63.597 63.597 63.109 0.488 19876 6120 1 10 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.019 0.029 19876 6121 1 10 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.051 -0.263 19876 6122 1 10 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.177 0.323 19876 6123 1 10 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.081 0.500 19876 6124 1 10 . 1 1 9 9 HIS N N 9 118.064 118.064 119.155 -1.091 19876 6125 1 10 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.290 -0.008 19876 6126 1 10 . 1 1 9 9 HIS C C 9 176.264 176.264 177.980 -1.716 19876 6127 1 10 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.701 -0.658 19876 6128 1 10 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.517 0.872 19876 6129 1 10 . 1 1 9 9 HIS H H 9 7.291 7.291 8.421 -1.130 19876 6130 1 10 . 1 1 10 10 ASP N N 10 122.089 122.089 119.973 2.116 19876 6131 1 10 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.577 0.006 19876 6132 1 10 . 1 1 10 10 ASP C C 10 177.261 177.261 179.120 -1.859 19876 6133 1 10 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.248 0.624 19876 6134 1 10 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.740 -0.171 19876 6135 1 10 . 1 1 10 10 ASP H H 10 8.221 8.221 7.982 0.239 19876 6136 1 10 . 1 1 11 11 VAL N N 11 119.318 119.318 120.308 -0.990 19876 6137 1 10 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.895 -0.408 19876 6138 1 10 . 1 1 11 11 VAL C C 11 175.661 175.661 178.326 -2.665 19876 6139 1 10 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.532 0.347 19876 6140 1 10 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.004 0.422 19876 6141 1 10 . 1 1 11 11 VAL H H 11 8.850 8.850 8.534 0.316 19876 6142 1 10 . 1 1 12 12 ALA N N 12 121.749 121.749 122.437 -0.688 19876 6143 1 10 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.945 -0.176 19876 6144 1 10 . 1 1 12 12 ALA C C 12 179.484 179.484 179.461 0.023 19876 6145 1 10 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.593 -0.325 19876 6146 1 10 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.527 -0.785 19876 6147 1 10 . 1 1 12 12 ALA H H 12 7.676 7.676 8.879 -1.203 19876 6148 1 10 . 1 1 13 13 GLN N N 13 119.544 119.544 118.611 0.933 19876 6149 1 10 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.108 -0.101 19876 6150 1 10 . 1 1 13 13 GLN C C 13 176.075 176.075 178.320 -2.245 19876 6151 1 10 . 1 1 13 13 GLN CA C 13 58.232 58.232 58.785 -0.553 19876 6152 1 10 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.388 -0.638 19876 6153 1 10 . 1 1 13 13 GLN H H 13 8.151 8.151 8.283 -0.132 19876 6154 1 10 . 1 1 14 14 LEU N N 14 121.127 121.127 122.400 -1.273 19876 6155 1 10 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.188 -0.632 19876 6156 1 10 . 1 1 14 14 LEU C C 14 176.935 176.935 178.571 -1.636 19876 6157 1 10 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.227 -0.503 19876 6158 1 10 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.696 -0.009 19876 6159 1 10 . 1 1 14 14 LEU H H 14 7.889 7.889 8.743 -0.854 19876 6160 1 10 . 1 1 15 15 LYS N N 15 120.458 120.458 117.945 2.513 19876 6161 1 10 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.352 -0.690 19876 6162 1 10 . 1 1 15 15 LYS C C 15 176.022 176.022 178.867 -2.845 19876 6163 1 10 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.755 1.283 19876 6164 1 10 . 1 1 15 15 LYS CB C 15 32.211 32.211 30.979 1.232 19876 6165 1 10 . 1 1 15 15 LYS H H 15 8.174 8.174 7.561 0.613 19876 6166 1 10 . 1 1 16 16 PHE N N 16 119.257 119.257 121.922 -2.665 19876 6167 1 10 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.204 -0.017 19876 6168 1 10 . 1 1 16 16 PHE C C 16 177.917 177.917 177.750 0.167 19876 6169 1 10 . 1 1 16 16 PHE CA C 16 60.330 60.330 62.001 -1.671 19876 6170 1 10 . 1 1 16 16 PHE CB C 16 38.494 38.494 39.068 -0.574 19876 6171 1 10 . 1 1 16 16 PHE H H 16 7.855 7.855 8.672 -0.817 19876 6172 1 10 . 1 1 17 17 LEU N N 17 121.489 121.489 119.449 2.040 19876 6173 1 10 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.994 -0.396 19876 6174 1 10 . 1 1 17 17 LEU C C 17 177.988 177.988 178.921 -0.933 19876 6175 1 10 . 1 1 17 17 LEU CA C 17 57.962 57.962 59.274 -1.312 19876 6176 1 10 . 1 1 17 17 LEU CB C 17 41.698 41.698 41.231 0.467 19876 6177 1 10 . 1 1 17 17 LEU H H 17 8.560 8.560 9.210 -0.650 19876 6178 1 10 . 1 1 18 18 CYS N N 18 116.216 116.216 118.470 -2.254 19876 6179 1 10 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.251 -0.016 19876 6180 1 10 . 1 1 18 18 CYS C C 18 176.987 176.987 177.468 -0.481 19876 6181 1 10 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.697 1.877 19876 6182 1 10 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.154 1.150 19876 6183 1 10 . 1 1 18 18 CYS H H 18 8.194 8.194 7.740 0.454 19876 6184 1 10 . 1 1 19 19 GLU N N 19 123.947 123.947 121.118 2.829 19876 6185 1 10 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.003 -0.118 19876 6186 1 10 . 1 1 19 19 GLU C C 19 176.436 176.436 179.251 -2.815 19876 6187 1 10 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.772 0.114 19876 6188 1 10 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.097 0.184 19876 6189 1 10 . 1 1 19 19 GLU H H 19 8.842 8.842 8.941 -0.099 19876 6190 1 10 . 1 1 20 20 SER N N 20 116.500 116.500 115.464 1.036 19876 6191 1 10 . 1 1 20 20 SER HA H 20 4.056 4.056 4.197 -0.141 19876 6192 1 10 . 1 1 20 20 SER C C 20 174.835 174.835 176.621 -1.786 19876 6193 1 10 . 1 1 20 20 SER CA C 20 61.729 61.729 61.234 0.495 19876 6194 1 10 . 1 1 20 20 SER CB C 20 62.360 62.360 62.922 -0.562 19876 6195 1 10 . 1 1 20 20 SER H H 20 8.198 8.198 8.613 -0.415 19876 6196 1 10 . 1 1 21 21 LEU N N 21 121.186 121.186 124.164 -2.978 19876 6197 1 10 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.031 -0.120 19876 6198 1 10 . 1 1 21 21 LEU C C 21 175.905 175.905 177.970 -2.065 19876 6199 1 10 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.576 -0.623 19876 6200 1 10 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.000 -0.391 19876 6201 1 10 . 1 1 21 21 LEU H H 21 7.970 7.970 8.482 -0.512 19876 6202 1 10 . 1 1 22 22 TYR N N 22 119.690 119.690 120.306 -0.616 19876 6203 1 10 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.249 0.069 19876 6204 1 10 . 1 1 22 22 TYR C C 22 175.453 175.453 177.772 -2.319 19876 6205 1 10 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.959 1.281 19876 6206 1 10 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.794 -0.651 19876 6207 1 10 . 1 1 22 22 TYR H H 22 7.473 7.473 9.209 -1.736 19876 6208 1 10 . 1 1 23 23 ASP N N 23 118.291 118.291 118.229 0.062 19876 6209 1 10 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.238 -0.191 19876 6210 1 10 . 1 1 23 23 ASP C C 23 178.796 178.796 178.557 0.239 19876 6211 1 10 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.774 -0.490 19876 6212 1 10 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.712 -0.829 19876 6213 1 10 . 1 1 23 23 ASP H H 23 8.249 8.249 7.610 0.639 19876 6214 1 10 . 1 1 24 24 GLU N N 24 120.605 120.605 119.545 1.060 19876 6215 1 10 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.889 0.042 19876 6216 1 10 . 1 1 24 24 GLU C C 24 178.457 178.457 179.129 -0.672 19876 6217 1 10 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.373 -0.812 19876 6218 1 10 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.302 -0.380 19876 6219 1 10 . 1 1 24 24 GLU H H 24 8.347 8.347 8.570 -0.223 19876 6220 1 10 . 1 1 25 25 GLY N N 25 111.777 111.777 108.576 3.201 19876 6221 1 10 . 1 1 25 25 GLY C C 25 173.906 173.906 176.530 -2.624 19876 6222 1 10 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.491 -0.023 19876 6223 1 10 . 1 1 25 25 GLY H H 25 8.701 8.701 9.071 -0.370 19876 6224 1 10 . 1 1 26 26 ILE N N 26 122.263 122.263 123.011 -0.748 19876 6225 1 10 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.744 0.013 19876 6226 1 10 . 1 1 26 26 ILE C C 26 178.116 178.116 178.260 -0.144 19876 6227 1 10 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.242 -1.011 19876 6228 1 10 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.690 -1.002 19876 6229 1 10 . 1 1 26 26 ILE H H 26 8.717 8.717 8.094 0.623 19876 6230 1 10 . 1 1 27 27 ALA N N 27 122.092 122.092 121.256 0.836 19876 6231 1 10 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.022 -0.062 19876 6232 1 10 . 1 1 27 27 ALA C C 27 178.428 178.428 179.848 -1.420 19876 6233 1 10 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.066 -0.573 19876 6234 1 10 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.295 -0.245 19876 6235 1 10 . 1 1 27 27 ALA H H 27 7.672 7.672 8.269 -0.597 19876 6236 1 10 . 1 1 28 28 THR N N 28 115.031 115.031 112.692 2.339 19876 6237 1 10 . 1 1 28 28 THR HA H 28 3.734 3.734 4.238 -0.504 19876 6238 1 10 . 1 1 28 28 THR C C 28 174.403 174.403 176.902 -2.499 19876 6239 1 10 . 1 1 28 28 THR CA C 28 65.750 65.750 64.303 1.446 19876 6240 1 10 . 1 1 28 28 THR CB C 28 68.530 68.530 68.822 -0.292 19876 6241 1 10 . 1 1 28 28 THR H H 28 7.554 7.554 7.969 -0.415 19876 6242 1 10 . 1 1 29 29 LEU N N 29 121.356 121.356 122.010 -0.654 19876 6243 1 10 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.258 -0.448 19876 6244 1 10 . 1 1 29 29 LEU C C 29 176.694 176.694 177.280 -0.586 19876 6245 1 10 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.288 -0.794 19876 6246 1 10 . 1 1 29 29 LEU CB C 29 42.179 42.179 42.100 0.079 19876 6247 1 10 . 1 1 29 29 LEU H H 29 7.580 7.580 8.480 -0.900 19876 6248 1 10 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.546 0.357 19876 6249 1 10 . 1 1 31 31 ASP N N 31 119.983 119.983 121.977 -1.994 19876 6250 1 10 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.709 -0.146 19876 6251 1 10 . 1 1 31 31 ASP C C 31 175.609 175.609 175.493 0.116 19876 6252 1 10 . 1 1 31 31 ASP CA C 31 53.883 53.883 51.513 2.370 19876 6253 1 10 . 1 1 31 31 ASP CB C 31 41.558 41.558 39.863 1.695 19876 6254 1 10 . 1 1 31 31 ASP H H 31 8.017 8.017 7.845 0.172 19876 6255 1 10 . 1 1 32 32 SER N N 32 118.027 118.027 118.904 -0.877 19876 6256 1 10 . 1 1 32 32 SER HA H 32 4.191 4.191 4.760 -0.569 19876 6257 1 10 . 1 1 32 32 SER C C 32 178.747 178.747 175.261 3.486 19876 6258 1 10 . 1 1 32 32 SER CA C 32 59.247 59.247 57.285 1.962 19876 6259 1 10 . 1 1 32 32 SER CB C 32 63.224 63.224 61.897 1.327 19876 6260 1 10 . 1 1 32 32 SER H H 32 8.284 8.284 7.702 0.582 19876 6261 1 10 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.256 0.089 19876 6262 1 10 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.007 -1.978 19876 6263 1 10 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.145 0.414 19876 6264 1 10 . 1 1 34 34 HIS N N 34 117.885 117.885 116.939 0.946 19876 6265 1 10 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.528 -0.044 19876 6266 1 10 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.586 -0.639 19876 6267 1 10 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.684 0.083 19876 6268 1 10 . 1 1 34 34 HIS H H 34 7.896 7.896 8.365 -0.469 19876 6269 1 10 . 1 1 35 35 GLY N N 35 108.681 108.681 106.328 2.353 19876 6270 1 10 . 1 1 35 35 GLY C C 35 172.466 172.466 174.122 -1.656 19876 6271 1 10 . 1 1 35 35 GLY CA C 35 45.299 45.299 46.226 -0.927 19876 6272 1 10 . 1 1 35 35 GLY H H 35 7.864 7.864 8.543 -0.679 19876 6273 1 10 . 1 1 36 36 TRP N N 36 120.973 120.973 120.090 0.883 19876 6274 1 10 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.750 -0.256 19876 6275 1 10 . 1 1 36 36 TRP C C 36 174.594 174.594 175.481 -0.887 19876 6276 1 10 . 1 1 36 36 TRP CA C 36 57.866 57.866 59.044 -1.178 19876 6277 1 10 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.640 -1.052 19876 6278 1 10 . 1 1 36 36 TRP H H 36 7.809 7.809 8.001 -0.192 19876 6279 1 10 . 1 1 37 37 VAL N N 37 122.778 122.778 112.118 10.660 19876 6280 1 10 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.398 -0.611 19876 6281 1 10 . 1 1 37 37 VAL C C 37 173.396 173.396 174.374 -0.978 19876 6282 1 10 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.200 1.084 19876 6283 1 10 . 1 1 37 37 VAL CB C 37 33.534 33.534 34.589 -1.055 19876 6284 1 10 . 1 1 37 37 VAL H H 37 7.712 7.712 7.507 0.205 19876 6285 1 10 . 1 1 38 38 ASN N N 38 121.869 121.869 120.356 1.513 19876 6286 1 10 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.826 -0.591 19876 6287 1 10 . 1 1 38 38 ASN C C 38 172.186 172.186 174.398 -2.212 19876 6288 1 10 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.770 1.300 19876 6289 1 10 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.745 0.884 19876 6290 1 10 . 1 1 38 38 ASN H H 38 7.768 7.768 8.809 -1.041 19876 6291 1 10 . 1 1 39 39 ASP N N 39 123.332 123.332 128.619 -5.287 19876 6292 1 10 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.967 -0.108 19876 6293 1 10 . 1 1 39 39 ASP C C 39 173.301 173.301 176.319 -3.018 19876 6294 1 10 . 1 1 39 39 ASP CA C 39 49.860 49.860 53.611 -3.751 19876 6295 1 10 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.729 -0.021 19876 6296 1 10 . 1 1 39 39 ASP H H 39 8.300 8.300 8.323 -0.023 19876 6297 1 10 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.370 -0.214 19876 6298 1 10 . 1 1 40 40 PRO CA C 40 63.934 63.934 65.016 -1.082 19876 6299 1 10 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.839 1.053 19876 6300 1 10 . 1 1 41 41 THR N N 41 107.824 107.824 104.236 3.588 19876 6301 1 10 . 1 1 41 41 THR HA H 41 4.191 4.191 4.212 -0.021 19876 6302 1 10 . 1 1 41 41 THR C C 41 173.405 173.405 174.916 -1.511 19876 6303 1 10 . 1 1 41 41 THR CA C 41 61.283 61.283 61.555 -0.272 19876 6304 1 10 . 1 1 41 41 THR CB C 41 69.351 69.351 68.424 0.927 19876 6305 1 10 . 1 1 41 41 THR H H 41 7.923 7.923 7.688 0.235 19876 6306 1 10 . 1 1 42 42 SER N N 42 118.745 118.745 118.204 0.541 19876 6307 1 10 . 1 1 42 42 SER HA H 42 4.187 4.187 4.212 -0.025 19876 6308 1 10 . 1 1 42 42 SER C C 42 172.750 172.750 175.825 -3.075 19876 6309 1 10 . 1 1 42 42 SER CA C 42 58.320 58.320 58.418 -0.098 19876 6310 1 10 . 1 1 42 42 SER CB C 42 64.569 64.569 64.668 -0.099 19876 6311 1 10 . 1 1 42 42 SER H H 42 7.705 7.705 7.945 -0.240 19876 6312 1 10 . 1 1 43 43 ALA N N 43 124.591 124.591 130.765 -6.174 19876 6313 1 10 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.913 0.047 19876 6314 1 10 . 1 1 43 43 ALA C C 43 178.795 178.795 179.447 -0.652 19876 6315 1 10 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.407 -0.271 19876 6316 1 10 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.257 -0.113 19876 6317 1 10 . 1 1 43 43 ALA H H 43 8.540 8.540 8.954 -0.414 19876 6318 1 10 . 1 1 44 44 VAL N N 44 115.734 115.734 119.323 -3.589 19876 6319 1 10 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.636 0.083 19876 6320 1 10 . 1 1 44 44 VAL C C 44 176.057 176.057 177.240 -1.183 19876 6321 1 10 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.060 -0.358 19876 6322 1 10 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.618 0.117 19876 6323 1 10 . 1 1 44 44 VAL H H 44 7.836 7.836 7.632 0.204 19876 6324 1 10 . 1 1 45 45 ASN N N 45 123.038 123.038 118.406 4.632 19876 6325 1 10 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.008 0.035 19876 6326 1 10 . 1 1 45 45 ASN C C 45 176.022 176.022 177.770 -1.748 19876 6327 1 10 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.474 0.361 19876 6328 1 10 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.334 -0.613 19876 6329 1 10 . 1 1 45 45 ASN H H 45 7.709 7.709 8.313 -0.604 19876 6330 1 10 . 1 1 46 46 LEU N N 46 122.005 122.005 120.168 1.837 19876 6331 1 10 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.921 0.005 19876 6332 1 10 . 1 1 46 46 LEU C C 46 178.192 178.192 179.028 -0.836 19876 6333 1 10 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.153 -0.110 19876 6334 1 10 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.706 -0.876 19876 6335 1 10 . 1 1 46 46 LEU H H 46 8.239 8.239 8.603 -0.364 19876 6336 1 10 . 1 1 47 47 GLN N N 47 119.394 119.394 119.171 0.223 19876 6337 1 10 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.892 0.079 19876 6338 1 10 . 1 1 47 47 GLN C C 47 177.762 177.762 178.640 -0.878 19876 6339 1 10 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.340 -0.649 19876 6340 1 10 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.622 -0.495 19876 6341 1 10 . 1 1 47 47 GLN H H 47 7.825 7.825 8.025 -0.200 19876 6342 1 10 . 1 1 48 48 LEU N N 48 122.808 122.808 119.296 3.512 19876 6343 1 10 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.828 -0.085 19876 6344 1 10 . 1 1 48 48 LEU C C 48 177.366 177.366 178.677 -1.311 19876 6345 1 10 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.927 -0.653 19876 6346 1 10 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.394 0.065 19876 6347 1 10 . 1 1 48 48 LEU H H 48 7.625 7.625 8.720 -1.095 19876 6348 1 10 . 1 1 49 49 ASN N N 49 117.784 117.784 117.215 0.569 19876 6349 1 10 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.385 -0.099 19876 6350 1 10 . 1 1 49 49 ASN C C 49 176.893 176.893 177.059 -0.166 19876 6351 1 10 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.532 -0.396 19876 6352 1 10 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.147 -0.537 19876 6353 1 10 . 1 1 49 49 ASN H H 49 7.797 7.797 7.957 -0.160 19876 6354 1 10 . 1 1 50 50 ASP N N 50 120.887 120.887 121.243 -0.356 19876 6355 1 10 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.402 -0.098 19876 6356 1 10 . 1 1 50 50 ASP C C 50 177.452 177.452 178.531 -1.079 19876 6357 1 10 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.845 -0.458 19876 6358 1 10 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.974 -0.384 19876 6359 1 10 . 1 1 50 50 ASP H H 50 7.868 7.868 8.370 -0.502 19876 6360 1 10 . 1 1 51 51 LEU N N 51 123.117 123.117 119.091 4.026 19876 6361 1 10 . 1 1 51 51 LEU HA H 51 4.158 4.158 4.224 -0.066 19876 6362 1 10 . 1 1 51 51 LEU C C 51 177.345 177.345 178.870 -1.525 19876 6363 1 10 . 1 1 51 51 LEU CA C 51 57.964 57.964 57.972 -0.008 19876 6364 1 10 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.123 -0.122 19876 6365 1 10 . 1 1 51 51 LEU H H 51 7.627 7.627 8.442 -0.815 19876 6366 1 10 . 1 1 52 52 ILE N N 52 120.007 120.007 121.230 -1.223 19876 6367 1 10 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.544 -0.177 19876 6368 1 10 . 1 1 52 52 ILE C C 52 176.246 176.246 178.041 -1.795 19876 6369 1 10 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.566 0.454 19876 6370 1 10 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.497 0.685 19876 6371 1 10 . 1 1 52 52 ILE H H 52 8.309 8.309 8.812 -0.503 19876 6372 1 10 . 1 1 53 53 GLU N N 53 117.619 117.619 119.217 -1.598 19876 6373 1 10 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.958 -0.027 19876 6374 1 10 . 1 1 53 53 GLU C C 53 178.193 178.193 178.831 -0.638 19876 6375 1 10 . 1 1 53 53 GLU CA C 53 59.453 59.453 60.037 -0.584 19876 6376 1 10 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.614 -0.266 19876 6377 1 10 . 1 1 53 53 GLU H H 53 7.965 7.965 7.965 0.000 19876 6378 1 10 . 1 1 54 54 HIS N N 54 120.335 120.335 120.282 0.053 19876 6379 1 10 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.268 0.044 19876 6380 1 10 . 1 1 54 54 HIS C C 54 177.331 177.331 178.092 -0.761 19876 6381 1 10 . 1 1 54 54 HIS CA C 54 59.562 59.562 60.341 -0.779 19876 6382 1 10 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.949 0.248 19876 6383 1 10 . 1 1 54 54 HIS H H 54 8.117 8.117 8.499 -0.382 19876 6384 1 10 . 1 1 55 55 ILE N N 55 120.694 120.694 119.169 1.525 19876 6385 1 10 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.867 -0.428 19876 6386 1 10 . 1 1 55 55 ILE C C 55 176.281 176.281 177.974 -1.693 19876 6387 1 10 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.773 0.178 19876 6388 1 10 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.962 -0.932 19876 6389 1 10 . 1 1 55 55 ILE H H 55 8.655 8.655 8.900 -0.245 19876 6390 1 10 . 1 1 56 56 ALA N N 56 123.896 123.896 124.011 -0.115 19876 6391 1 10 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.849 -0.088 19876 6392 1 10 . 1 1 56 56 ALA C C 56 179.581 179.581 179.522 0.059 19876 6393 1 10 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.555 0.057 19876 6394 1 10 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.005 -0.356 19876 6395 1 10 . 1 1 56 56 ALA H H 56 9.063 9.063 8.543 0.520 19876 6396 1 10 . 1 1 57 57 SER N N 57 114.014 114.014 115.512 -1.498 19876 6397 1 10 . 1 1 57 57 SER HA H 57 4.165 4.165 4.167 -0.002 19876 6398 1 10 . 1 1 57 57 SER C C 57 175.540 175.540 176.585 -1.045 19876 6399 1 10 . 1 1 57 57 SER CA C 57 61.491 61.491 61.926 -0.435 19876 6400 1 10 . 1 1 57 57 SER CB C 57 62.640 62.640 63.097 -0.457 19876 6401 1 10 . 1 1 57 57 SER H H 57 7.918 7.918 8.600 -0.682 19876 6402 1 10 . 1 1 58 58 PHE N N 58 125.013 125.013 124.137 0.876 19876 6403 1 10 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.438 -0.420 19876 6404 1 10 . 1 1 58 58 PHE C C 58 177.343 177.343 177.454 -0.111 19876 6405 1 10 . 1 1 58 58 PHE CA C 58 61.676 61.676 58.711 2.965 19876 6406 1 10 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.604 0.580 19876 6407 1 10 . 1 1 58 58 PHE H H 58 8.024 8.024 7.809 0.215 19876 6408 1 10 . 1 1 59 59 VAL N N 59 120.373 120.373 120.002 0.371 19876 6409 1 10 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.178 0.479 19876 6410 1 10 . 1 1 59 59 VAL C C 59 175.403 175.403 177.998 -2.595 19876 6411 1 10 . 1 1 59 59 VAL CA C 59 66.102 66.102 66.897 -0.795 19876 6412 1 10 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.301 0.137 19876 6413 1 10 . 1 1 59 59 VAL H H 59 9.263 9.263 8.835 0.428 19876 6414 1 10 . 1 1 60 60 MET N N 60 120.360 120.360 119.070 1.290 19876 6415 1 10 . 1 1 60 60 MET HA H 60 4.002 4.002 3.973 0.029 19876 6416 1 10 . 1 1 60 60 MET C C 60 177.417 177.417 178.538 -1.121 19876 6417 1 10 . 1 1 60 60 MET CA C 60 59.396 59.396 59.965 -0.569 19876 6418 1 10 . 1 1 60 60 MET CB C 60 31.986 31.986 32.571 -0.585 19876 6419 1 10 . 1 1 60 60 MET H H 60 7.826 7.826 8.522 -0.696 19876 6420 1 10 . 1 1 61 61 SER N N 61 113.289 113.289 115.475 -2.186 19876 6421 1 10 . 1 1 61 61 SER HA H 61 4.035 4.035 4.202 -0.167 19876 6422 1 10 . 1 1 61 61 SER CA C 61 61.619 61.619 61.498 0.121 19876 6423 1 10 . 1 1 61 61 SER CB C 61 62.600 62.600 63.133 -0.533 19876 6424 1 10 . 1 1 61 61 SER H H 61 7.230 7.230 7.834 -0.604 19876 6425 1 10 . 1 1 62 62 PHE N N 62 126.395 126.395 124.095 2.300 19876 6426 1 10 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.163 -0.522 19876 6427 1 10 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.628 0.316 19876 6428 1 10 . 1 1 62 62 PHE CB C 62 40.462 40.462 39.039 1.423 19876 6429 1 10 . 1 1 62 62 PHE H H 62 8.681 8.681 8.942 -0.261 19876 6430 1 10 . 1 1 63 63 LYS N N 63 116.676 116.676 117.610 -0.934 19876 6431 1 10 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.051 -0.019 19876 6432 1 10 . 1 1 63 63 LYS C C 63 177.262 177.262 178.216 -0.954 19876 6433 1 10 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.790 -0.102 19876 6434 1 10 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.596 1.253 19876 6435 1 10 . 1 1 63 63 LYS H H 63 8.585 8.585 8.564 0.021 19876 6436 1 10 . 1 1 64 64 ILE N N 64 117.020 117.020 117.989 -0.969 19876 6437 1 10 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.847 -0.324 19876 6438 1 10 . 1 1 64 64 ILE C C 64 176.151 176.151 177.979 -1.828 19876 6439 1 10 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.414 -0.421 19876 6440 1 10 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.926 0.251 19876 6441 1 10 . 1 1 64 64 ILE H H 64 6.751 6.751 7.362 -0.611 19876 6442 1 10 . 1 1 65 65 LYS N N 65 120.165 120.165 118.887 1.278 19876 6443 1 10 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.903 -0.464 19876 6444 1 10 . 1 1 65 65 LYS C C 65 175.133 175.133 177.335 -2.202 19876 6445 1 10 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.380 0.575 19876 6446 1 10 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.368 -0.411 19876 6447 1 10 . 1 1 65 65 LYS H H 65 7.058 7.058 8.149 -1.091 19876 6448 1 10 . 1 1 66 66 TYR N N 66 115.421 115.421 116.535 -1.114 19876 6449 1 10 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.683 0.205 19876 6450 1 10 . 1 1 66 66 TYR C C 66 173.061 173.061 173.296 -0.235 19876 6451 1 10 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.818 -1.289 19876 6452 1 10 . 1 1 66 66 TYR CB C 66 36.669 36.669 38.536 -1.867 19876 6453 1 10 . 1 1 66 66 TYR H H 66 7.784 7.784 8.145 -0.361 19876 6454 1 10 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.171 0.186 19876 6455 1 10 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.836 -0.326 19876 6456 1 10 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.021 -0.116 19876 6457 1 10 . 1 1 68 68 ASP N N 68 117.110 117.110 117.759 -0.649 19876 6458 1 10 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.476 0.251 19876 6459 1 10 . 1 1 68 68 ASP C C 68 175.024 175.024 176.507 -1.483 19876 6460 1 10 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.175 -1.432 19876 6461 1 10 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.440 0.054 19876 6462 1 10 . 1 1 68 68 ASP H H 68 8.548 8.548 8.542 0.006 19876 6463 1 10 . 1 1 69 69 ASP N N 69 122.994 122.994 119.165 3.829 19876 6464 1 10 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.381 0.610 19876 6465 1 10 . 1 1 69 69 ASP C C 69 174.782 174.782 176.574 -1.792 19876 6466 1 10 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.336 0.979 19876 6467 1 10 . 1 1 69 69 ASP CB C 69 40.163 40.163 41.239 -1.076 19876 6468 1 10 . 1 1 69 69 ASP H H 69 7.545 7.545 7.819 -0.274 19876 6469 1 10 . 1 1 70 70 GLY N N 70 107.712 107.712 108.528 -0.816 19876 6470 1 10 . 1 1 70 70 GLY C C 70 173.987 173.987 175.122 -1.135 19876 6471 1 10 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.343 -0.011 19876 6472 1 10 . 1 1 70 70 GLY H H 70 7.879 7.879 7.955 -0.076 19876 6473 1 10 . 1 1 71 71 ASP N N 71 119.785 119.785 120.243 -0.458 19876 6474 1 10 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.395 -0.200 19876 6475 1 10 . 1 1 71 71 ASP C C 71 177.114 177.114 177.830 -0.716 19876 6476 1 10 . 1 1 71 71 ASP CA C 71 57.052 57.052 56.957 0.095 19876 6477 1 10 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.568 -1.223 19876 6478 1 10 . 1 1 71 71 ASP H H 71 8.447 8.447 7.858 0.589 19876 6479 1 10 . 1 1 72 72 LEU N N 72 119.776 119.776 121.501 -1.725 19876 6480 1 10 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.798 0.069 19876 6481 1 10 . 1 1 72 72 LEU C C 72 176.531 176.531 177.780 -1.249 19876 6482 1 10 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.242 -0.790 19876 6483 1 10 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.560 0.175 19876 6484 1 10 . 1 1 72 72 LEU H H 72 7.562 7.562 7.220 0.342 19876 6485 1 10 . 1 1 73 73 SER N N 73 113.964 113.964 115.226 -1.262 19876 6486 1 10 . 1 1 73 73 SER HA H 73 3.605 3.605 3.686 -0.081 19876 6487 1 10 . 1 1 73 73 SER C C 73 174.610 174.610 176.309 -1.699 19876 6488 1 10 . 1 1 73 73 SER CA C 73 62.161 62.161 61.761 0.400 19876 6489 1 10 . 1 1 73 73 SER CB C 73 62.158 62.158 62.004 0.154 19876 6490 1 10 . 1 1 73 73 SER H H 73 8.050 8.050 8.346 -0.296 19876 6491 1 10 . 1 1 74 74 GLU N N 74 119.742 119.742 122.472 -2.730 19876 6492 1 10 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.035 0.036 19876 6493 1 10 . 1 1 74 74 GLU C C 74 178.089 178.089 178.872 -0.783 19876 6494 1 10 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.570 -0.468 19876 6495 1 10 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.429 -0.216 19876 6496 1 10 . 1 1 74 74 GLU H H 74 8.623 8.623 7.434 1.189 19876 6497 1 10 . 1 1 75 75 LEU N N 75 122.325 122.325 120.583 1.742 19876 6498 1 10 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.223 0.020 19876 6499 1 10 . 1 1 75 75 LEU C C 75 177.962 177.962 178.778 -0.816 19876 6500 1 10 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.632 -0.252 19876 6501 1 10 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.194 0.209 19876 6502 1 10 . 1 1 75 75 LEU H H 75 7.255 7.255 8.385 -1.130 19876 6503 1 10 . 1 1 76 76 VAL N N 76 119.514 119.514 120.517 -1.003 19876 6504 1 10 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.571 0.016 19876 6505 1 10 . 1 1 76 76 VAL C C 76 176.909 176.909 178.764 -1.855 19876 6506 1 10 . 1 1 76 76 VAL CA C 76 67.260 67.260 66.909 0.351 19876 6507 1 10 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.688 0.255 19876 6508 1 10 . 1 1 76 76 VAL H H 76 8.235 8.235 8.591 -0.356 19876 6509 1 10 . 1 1 77 77 GLU N N 77 118.692 118.692 119.716 -1.024 19876 6510 1 10 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.876 -0.137 19876 6511 1 10 . 1 1 77 77 GLU C C 77 177.692 177.692 179.190 -1.498 19876 6512 1 10 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.203 0.804 19876 6513 1 10 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.219 -0.062 19876 6514 1 10 . 1 1 77 77 GLU H H 77 8.204 8.204 8.848 -0.644 19876 6515 1 10 . 1 1 78 78 GLU N N 78 121.945 121.945 120.330 1.615 19876 6516 1 10 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.027 0.001 19876 6517 1 10 . 1 1 78 78 GLU C C 78 176.559 176.559 179.121 -2.562 19876 6518 1 10 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.532 0.042 19876 6519 1 10 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.607 0.278 19876 6520 1 10 . 1 1 78 78 GLU H H 78 8.058 8.058 8.341 -0.283 19876 6521 1 10 . 1 1 79 79 TYR N N 79 119.945 119.945 120.998 -1.053 19876 6522 1 10 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.269 0.131 19876 6523 1 10 . 1 1 79 79 TYR C C 79 178.365 178.365 177.990 0.375 19876 6524 1 10 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.751 -0.649 19876 6525 1 10 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.347 0.291 19876 6526 1 10 . 1 1 79 79 TYR H H 79 8.347 8.347 8.498 -0.151 19876 6527 1 10 . 1 1 80 80 LEU N N 80 123.586 123.586 119.684 3.902 19876 6528 1 10 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.806 -0.157 19876 6529 1 10 . 1 1 80 80 LEU C C 80 177.594 177.594 179.233 -1.639 19876 6530 1 10 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.570 0.109 19876 6531 1 10 . 1 1 80 80 LEU CB C 80 40.642 40.642 40.970 -0.328 19876 6532 1 10 . 1 1 80 80 LEU H H 80 9.113 9.113 8.927 0.186 19876 6533 1 10 . 1 1 81 81 ASP N N 81 121.522 121.522 119.258 2.264 19876 6534 1 10 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.394 0.012 19876 6535 1 10 . 1 1 81 81 ASP C C 81 178.021 178.021 178.685 -0.664 19876 6536 1 10 . 1 1 81 81 ASP CA C 81 57.689 57.689 57.873 -0.184 19876 6537 1 10 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.542 0.100 19876 6538 1 10 . 1 1 81 81 ASP H H 81 8.228 8.228 8.665 -0.437 19876 6539 1 10 . 1 1 82 82 ASP N N 82 120.931 120.931 119.903 1.028 19876 6540 1 10 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.418 0.004 19876 6541 1 10 . 1 1 82 82 ASP C C 82 178.342 178.342 178.630 -0.288 19876 6542 1 10 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.887 0.020 19876 6543 1 10 . 1 1 82 82 ASP CB C 82 40.833 40.833 41.115 -0.283 19876 6544 1 10 . 1 1 82 82 ASP H H 82 9.139 9.139 8.781 0.358 19876 6545 1 10 . 1 1 83 83 THR N N 83 118.686 118.686 116.607 2.079 19876 6546 1 10 . 1 1 83 83 THR HA H 83 3.415 3.415 3.523 -0.108 19876 6547 1 10 . 1 1 83 83 THR C C 83 173.663 173.663 176.510 -2.847 19876 6548 1 10 . 1 1 83 83 THR CA C 83 67.258 67.258 67.042 0.216 19876 6549 1 10 . 1 1 83 83 THR CB C 83 68.017 68.017 68.910 -0.894 19876 6550 1 10 . 1 1 83 83 THR H H 83 8.394 8.394 8.782 -0.388 19876 6551 1 10 . 1 1 84 84 TYR N N 84 122.004 122.004 123.180 -1.176 19876 6552 1 10 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.075 -0.332 19876 6553 1 10 . 1 1 84 84 TYR C C 84 177.983 177.983 177.650 0.333 19876 6554 1 10 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.996 0.111 19876 6555 1 10 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.205 0.246 19876 6556 1 10 . 1 1 84 84 TYR H H 84 8.561 8.561 8.864 -0.303 19876 6557 1 10 . 1 1 85 85 THR N N 85 116.249 116.249 115.977 0.272 19876 6558 1 10 . 1 1 85 85 THR HA H 85 3.409 3.409 3.551 -0.142 19876 6559 1 10 . 1 1 85 85 THR C C 85 174.628 174.628 176.606 -1.978 19876 6560 1 10 . 1 1 85 85 THR CA C 85 66.483 66.483 66.310 0.173 19876 6561 1 10 . 1 1 85 85 THR CB C 85 68.604 68.604 68.510 0.093 19876 6562 1 10 . 1 1 85 85 THR H H 85 8.749 8.749 8.506 0.243 19876 6563 1 10 . 1 1 86 86 LEU N N 86 121.835 121.835 122.516 -0.681 19876 6564 1 10 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.931 -0.376 19876 6565 1 10 . 1 1 86 86 LEU C C 86 176.057 176.057 179.537 -3.480 19876 6566 1 10 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.469 0.537 19876 6567 1 10 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.491 1.282 19876 6568 1 10 . 1 1 86 86 LEU H H 86 7.257 7.257 8.206 -0.949 19876 6569 1 10 . 1 1 87 87 PHE N N 87 111.264 111.264 115.245 -3.981 19876 6570 1 10 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.153 -0.176 19876 6571 1 10 . 1 1 87 87 PHE C C 87 174.687 174.687 177.412 -2.725 19876 6572 1 10 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.015 0.725 19876 6573 1 10 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.717 0.714 19876 6574 1 10 . 1 1 87 87 PHE H H 87 7.168 7.168 7.929 -0.761 19876 6575 1 10 . 1 1 88 88 SER N N 88 112.848 112.848 113.164 -0.316 19876 6576 1 10 . 1 1 88 88 SER HA H 88 4.207 4.207 4.083 0.124 19876 6577 1 10 . 1 1 88 88 SER C C 88 172.760 172.760 174.193 -1.433 19876 6578 1 10 . 1 1 88 88 SER CA C 88 58.725 58.725 60.304 -1.579 19876 6579 1 10 . 1 1 88 88 SER CB C 88 63.342 63.342 63.350 -0.008 19876 6580 1 10 . 1 1 88 88 SER H H 88 7.290 7.290 7.568 -0.278 19876 6581 1 10 . 1 1 89 89 SER N N 89 116.554 116.554 118.508 -1.954 19876 6582 1 10 . 1 1 89 89 SER HA H 89 4.347 4.347 4.434 -0.087 19876 6583 1 10 . 1 1 89 89 SER C C 89 172.251 172.251 174.323 -2.072 19876 6584 1 10 . 1 1 89 89 SER CA C 89 57.597 57.597 57.982 -0.385 19876 6585 1 10 . 1 1 89 89 SER CB C 89 64.426 64.426 62.776 1.649 19876 6586 1 10 . 1 1 89 89 SER H H 89 7.064 7.064 7.431 -0.367 19876 6587 1 10 . 1 1 90 90 TYR N N 90 122.348 122.348 125.219 -2.871 19876 6588 1 10 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.320 0.023 19876 6589 1 10 . 1 1 90 90 TYR C C 90 175.043 175.043 177.137 -2.094 19876 6590 1 10 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.384 -2.412 19876 6591 1 10 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.693 -1.067 19876 6592 1 10 . 1 1 90 90 TYR H H 90 8.446 8.446 8.121 0.325 19876 6593 1 10 . 1 1 91 91 GLY N N 91 111.349 111.349 104.458 6.891 19876 6594 1 10 . 1 1 91 91 GLY C C 91 170.874 170.874 173.862 -2.988 19876 6595 1 10 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.756 0.978 19876 6596 1 10 . 1 1 91 91 GLY H H 91 7.820 7.820 7.997 -0.177 19876 6597 1 10 . 1 1 92 92 ILE N N 92 121.703 121.703 124.545 -2.842 19876 6598 1 10 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.681 0.197 19876 6599 1 10 . 1 1 92 92 ILE C C 92 173.956 173.956 175.671 -1.715 19876 6600 1 10 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.770 -0.643 19876 6601 1 10 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.769 1.673 19876 6602 1 10 . 1 1 92 92 ILE H H 92 8.032 8.032 8.297 -0.265 19876 6603 1 10 . 1 1 93 93 ASN N N 93 125.791 125.791 126.591 -0.800 19876 6604 1 10 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.923 -0.009 19876 6605 1 10 . 1 1 93 93 ASN C C 93 173.468 173.468 175.539 -2.071 19876 6606 1 10 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.329 -0.887 19876 6607 1 10 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.699 -0.552 19876 6608 1 10 . 1 1 93 93 ASN H H 93 8.423 8.423 8.189 0.234 19876 6609 1 10 . 1 1 94 94 ASP N N 94 122.019 122.019 125.881 -3.862 19876 6610 1 10 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.468 0.023 19876 6611 1 10 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.958 0.160 19876 6612 1 10 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.763 -0.475 19876 6613 1 10 . 1 1 94 94 ASP H H 94 8.710 8.710 9.023 -0.313 19876 6614 1 10 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.237 -0.083 19876 6615 1 10 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.114 0.440 19876 6616 1 10 . 1 1 95 95 PRO CB C 95 30.749 30.749 30.870 -0.121 19876 6617 1 10 . 1 1 96 96 GLU N N 96 117.965 117.965 118.271 -0.306 19876 6618 1 10 . 1 1 96 96 GLU HA H 96 3.861 3.861 3.990 -0.129 19876 6619 1 10 . 1 1 96 96 GLU C C 96 177.730 177.730 179.043 -1.313 19876 6620 1 10 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.294 0.588 19876 6621 1 10 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.813 0.025 19876 6622 1 10 . 1 1 96 96 GLU H H 96 7.954 7.954 8.407 -0.453 19876 6623 1 10 . 1 1 97 97 LEU N N 97 124.427 124.427 122.570 1.857 19876 6624 1 10 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.957 0.152 19876 6625 1 10 . 1 1 97 97 LEU C C 97 177.211 177.211 178.981 -1.770 19876 6626 1 10 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.363 -0.312 19876 6627 1 10 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.838 -0.067 19876 6628 1 10 . 1 1 97 97 LEU H H 97 7.825 7.825 8.461 -0.636 19876 6629 1 10 . 1 1 98 98 GLN N N 98 117.195 117.195 117.140 0.055 19876 6630 1 10 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.029 -0.039 19876 6631 1 10 . 1 1 98 98 GLN C C 98 177.762 177.762 178.859 -1.097 19876 6632 1 10 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.712 -0.089 19876 6633 1 10 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.840 0.161 19876 6634 1 10 . 1 1 98 98 GLN H H 98 8.481 8.481 8.953 -0.472 19876 6635 1 10 . 1 1 99 99 ARG N N 99 119.687 119.687 120.691 -1.004 19876 6636 1 10 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.126 -0.204 19876 6637 1 10 . 1 1 99 99 ARG C C 99 176.055 176.055 178.475 -2.420 19876 6638 1 10 . 1 1 99 99 ARG CA C 99 59.613 59.613 58.802 0.811 19876 6639 1 10 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.878 0.444 19876 6640 1 10 . 1 1 99 99 ARG H H 99 7.836 7.836 8.004 -0.168 19876 6641 1 10 . 1 1 100 100 TRP N N 100 119.762 119.762 122.311 -2.549 19876 6642 1 10 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.537 -0.308 19876 6643 1 10 . 1 1 100 100 TRP C C 100 176.004 176.004 178.543 -2.539 19876 6644 1 10 . 1 1 100 100 TRP CA C 100 62.005 62.005 62.351 -0.346 19876 6645 1 10 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.043 -0.095 19876 6646 1 10 . 1 1 100 100 TRP H H 100 7.731 7.731 8.962 -1.231 19876 6647 1 10 . 1 1 101 101 GLN N N 101 115.464 115.464 116.413 -0.949 19876 6648 1 10 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.788 -0.303 19876 6649 1 10 . 1 1 101 101 GLN C C 101 177.498 177.498 178.859 -1.361 19876 6650 1 10 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.561 -0.397 19876 6651 1 10 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.210 -0.128 19876 6652 1 10 . 1 1 101 101 GLN H H 101 8.277 8.277 8.723 -0.446 19876 6653 1 10 . 1 1 102 102 LYS N N 102 119.856 119.856 119.914 -0.058 19876 6654 1 10 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.026 -0.114 19876 6655 1 10 . 1 1 102 102 LYS C C 102 178.364 178.364 179.004 -0.640 19876 6656 1 10 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.419 -0.240 19876 6657 1 10 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.452 -0.627 19876 6658 1 10 . 1 1 102 102 LYS H H 102 8.047 8.047 8.093 -0.046 19876 6659 1 10 . 1 1 103 103 THR N N 103 121.217 121.217 116.669 4.548 19876 6660 1 10 . 1 1 103 103 THR HA H 103 3.658 3.658 3.798 -0.140 19876 6661 1 10 . 1 1 103 103 THR C C 103 174.266 174.266 176.161 -1.895 19876 6662 1 10 . 1 1 103 103 THR CA C 103 66.206 66.206 67.479 -1.273 19876 6663 1 10 . 1 1 103 103 THR CB C 103 67.515 67.515 68.721 -1.206 19876 6664 1 10 . 1 1 103 103 THR H H 103 8.816 8.816 8.734 0.082 19876 6665 1 10 . 1 1 104 104 LYS N N 104 122.265 122.265 120.092 2.173 19876 6666 1 10 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.285 -0.234 19876 6667 1 10 . 1 1 104 104 LYS C C 104 176.952 176.952 178.680 -1.728 19876 6668 1 10 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.947 1.573 19876 6669 1 10 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.152 -0.812 19876 6670 1 10 . 1 1 104 104 LYS H H 104 8.258 8.258 7.370 0.888 19876 6671 1 10 . 1 1 105 105 GLU N N 105 118.912 118.912 119.997 -1.085 19876 6672 1 10 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.878 -0.280 19876 6673 1 10 . 1 1 105 105 GLU C C 105 178.038 178.038 178.976 -0.938 19876 6674 1 10 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.269 0.249 19876 6675 1 10 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.091 -0.059 19876 6676 1 10 . 1 1 105 105 GLU H H 105 7.963 7.963 7.486 0.477 19876 6677 1 10 . 1 1 106 106 ARG N N 106 120.201 120.201 119.080 1.121 19876 6678 1 10 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.946 -0.249 19876 6679 1 10 . 1 1 106 106 ARG C C 106 177.744 177.744 178.860 -1.116 19876 6680 1 10 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.065 0.929 19876 6681 1 10 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.986 0.802 19876 6682 1 10 . 1 1 106 106 ARG H H 106 7.940 7.940 8.369 -0.429 19876 6683 1 10 . 1 1 107 107 LEU N N 107 120.982 120.982 120.529 0.453 19876 6684 1 10 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.868 -0.123 19876 6685 1 10 . 1 1 107 107 LEU C C 107 176.173 176.173 178.567 -2.394 19876 6686 1 10 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.762 -0.325 19876 6687 1 10 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.431 -0.562 19876 6688 1 10 . 1 1 107 107 LEU H H 107 8.242 8.242 7.938 0.304 19876 6689 1 10 . 1 1 108 108 PHE N N 108 117.793 117.793 116.822 0.971 19876 6690 1 10 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.361 -0.359 19876 6691 1 10 . 1 1 108 108 PHE C C 108 177.654 177.654 177.658 -0.004 19876 6692 1 10 . 1 1 108 108 PHE CA C 108 61.189 61.189 62.018 -0.829 19876 6693 1 10 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.153 -1.368 19876 6694 1 10 . 1 1 108 108 PHE H H 108 8.772 8.772 8.589 0.183 19876 6695 1 10 . 1 1 109 109 ARG N N 109 121.726 121.726 119.339 2.387 19876 6696 1 10 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.015 -0.009 19876 6697 1 10 . 1 1 109 109 ARG C C 109 177.785 177.785 178.054 -0.269 19876 6698 1 10 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.810 0.531 19876 6699 1 10 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.521 0.277 19876 6700 1 10 . 1 1 109 109 ARG H H 109 7.865 7.865 7.782 0.083 19876 6701 1 10 . 1 1 110 110 LEU N N 110 121.486 121.486 119.145 2.341 19876 6702 1 10 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.937 0.157 19876 6703 1 10 . 1 1 110 110 LEU C C 110 178.537 178.537 179.019 -0.482 19876 6704 1 10 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.026 -0.185 19876 6705 1 10 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.758 -0.938 19876 6706 1 10 . 1 1 110 110 LEU H H 110 7.338 7.338 7.546 -0.208 19876 6707 1 10 . 1 1 111 111 PHE N N 111 115.883 115.883 118.194 -2.311 19876 6708 1 10 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.100 0.216 19876 6709 1 10 . 1 1 111 111 PHE C C 111 175.369 175.369 177.773 -2.404 19876 6710 1 10 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.307 -2.228 19876 6711 1 10 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.556 -0.045 19876 6712 1 10 . 1 1 111 111 PHE H H 111 7.584 7.584 8.419 -0.835 19876 6713 1 10 . 1 1 112 112 SER N N 112 111.693 111.693 112.817 -1.124 19876 6714 1 10 . 1 1 112 112 SER HA H 112 4.329 4.329 4.397 -0.068 19876 6715 1 10 . 1 1 112 112 SER C C 112 173.353 173.353 174.968 -1.615 19876 6716 1 10 . 1 1 112 112 SER CA C 112 59.050 59.050 59.799 -0.749 19876 6717 1 10 . 1 1 112 112 SER CB C 112 63.841 63.841 63.810 0.031 19876 6718 1 10 . 1 1 112 112 SER H H 112 7.554 7.554 8.295 -0.741 19876 6719 1 10 . 1 1 113 113 GLY N N 113 109.665 109.665 108.394 1.271 19876 6720 1 10 . 1 1 113 113 GLY C C 113 173.407 173.407 174.371 -0.964 19876 6721 1 10 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.853 0.521 19876 6722 1 10 . 1 1 113 113 GLY H H 113 7.781 7.781 7.830 -0.049 19876 6723 1 10 . 1 1 114 114 GLU N N 114 121.028 121.028 121.890 -0.862 19876 6724 1 10 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.069 -0.067 19876 6725 1 10 . 1 1 114 114 GLU C C 114 175.971 175.971 176.789 -0.818 19876 6726 1 10 . 1 1 114 114 GLU CA C 114 58.310 58.310 57.945 0.365 19876 6727 1 10 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.921 0.243 19876 6728 1 10 . 1 1 114 114 GLU H H 114 8.414 8.414 8.359 0.055 19876 6729 1 10 . 1 1 115 115 TYR N N 115 118.828 118.828 115.467 3.361 19876 6730 1 10 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.570 -0.258 19876 6731 1 10 . 1 1 115 115 TYR C C 115 175.248 175.248 178.433 -3.185 19876 6732 1 10 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.208 0.526 19876 6733 1 10 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.312 0.059 19876 6734 1 10 . 1 1 115 115 TYR H H 115 7.939 7.939 7.868 0.071 19876 6735 1 10 . 1 1 116 116 ILE N N 116 120.412 120.412 121.619 -1.207 19876 6736 1 10 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.728 0.015 19876 6737 1 10 . 1 1 116 116 ILE C C 116 175.591 175.591 177.891 -2.300 19876 6738 1 10 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.705 -1.569 19876 6739 1 10 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.505 0.722 19876 6740 1 10 . 1 1 116 116 ILE H H 116 7.892 7.892 8.085 -0.193 19876 6741 1 10 . 1 1 117 117 SER N N 117 117.142 117.142 114.533 2.609 19876 6742 1 10 . 1 1 117 117 SER HA H 117 4.141 4.141 4.089 0.052 19876 6743 1 10 . 1 1 117 117 SER C C 117 174.795 174.795 175.615 -0.820 19876 6744 1 10 . 1 1 117 117 SER CA C 117 60.437 60.437 61.467 -1.030 19876 6745 1 10 . 1 1 117 117 SER CB C 117 62.987 62.987 62.723 0.264 19876 6746 1 10 . 1 1 117 117 SER H H 117 8.127 8.127 8.698 -0.571 19876 6747 1 10 . 1 1 118 118 THR N N 118 115.779 115.779 113.883 1.896 19876 6748 1 10 . 1 1 118 118 THR HA H 118 3.987 3.987 4.143 -0.156 19876 6749 1 10 . 1 1 118 118 THR C C 118 174.025 174.025 175.880 -1.855 19876 6750 1 10 . 1 1 118 118 THR CA C 118 64.026 64.026 64.023 0.003 19876 6751 1 10 . 1 1 118 118 THR CB C 118 68.953 68.953 69.035 -0.082 19876 6752 1 10 . 1 1 118 118 THR H H 118 7.872 7.872 7.409 0.463 19876 6753 1 10 . 1 1 119 119 LEU N N 119 122.845 122.845 122.343 0.502 19876 6754 1 10 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.687 0.361 19876 6755 1 10 . 1 1 119 119 LEU C C 119 176.246 176.246 175.928 0.318 19876 6756 1 10 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.395 -1.314 19876 6757 1 10 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.394 -0.189 19876 6758 1 10 . 1 1 119 119 LEU H H 119 7.679 7.679 7.796 -0.117 19876 6759 1 10 . 1 1 120 120 MET N N 120 117.447 117.447 112.765 4.682 19876 6760 1 10 . 1 1 120 120 MET HA H 120 4.243 4.243 4.534 -0.291 19876 6761 1 10 . 1 1 120 120 MET C C 120 174.594 174.594 175.436 -0.842 19876 6762 1 10 . 1 1 120 120 MET CA C 120 55.470 55.470 55.872 -0.402 19876 6763 1 10 . 1 1 120 120 MET CB C 120 32.606 32.606 33.705 -1.099 19876 6764 1 10 . 1 1 120 120 MET H H 120 7.812 7.812 7.954 -0.142 19876 6765 1 10 . 1 1 121 121 LYS N N 121 121.578 121.578 118.470 3.108 19876 6766 1 10 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.471 -0.236 19876 6767 1 10 . 1 1 121 121 LYS C C 121 174.539 174.539 177.140 -2.601 19876 6768 1 10 . 1 1 121 121 LYS CA C 121 56.481 56.481 56.855 -0.374 19876 6769 1 10 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.953 -0.987 19876 6770 1 10 . 1 1 121 121 LYS H H 121 7.790 7.790 8.388 -0.598 19876 6771 1 11 . 1 1 2 2 ASP N N 2 122.949 122.949 122.389 0.560 19876 6772 1 11 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.750 -0.306 19876 6773 1 11 . 1 1 2 2 ASP C C 2 174.891 174.891 174.468 0.423 19876 6774 1 11 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.429 0.193 19876 6775 1 11 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.565 -0.246 19876 6776 1 11 . 1 1 2 2 ASP H H 2 8.386 8.386 8.552 -0.166 19876 6777 1 11 . 1 1 3 3 GLU N N 3 119.296 119.296 119.187 0.109 19876 6778 1 11 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.476 -0.612 19876 6779 1 11 . 1 1 3 3 GLU C C 3 175.006 175.006 175.386 -0.380 19876 6780 1 11 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.658 2.415 19876 6781 1 11 . 1 1 3 3 GLU CB C 3 29.567 29.567 30.245 -0.678 19876 6782 1 11 . 1 1 3 3 GLU H H 3 8.601 8.601 8.368 0.233 19876 6783 1 11 . 1 1 4 4 TYR N N 4 118.038 118.038 121.943 -3.905 19876 6784 1 11 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.333 0.120 19876 6785 1 11 . 1 1 4 4 TYR C C 4 174.761 174.761 176.389 -1.628 19876 6786 1 11 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.203 -2.629 19876 6787 1 11 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.699 0.296 19876 6788 1 11 . 1 1 4 4 TYR H H 4 8.049 8.049 8.496 -0.447 19876 6789 1 11 . 1 1 5 5 SER N N 5 118.519 118.519 114.397 4.122 19876 6790 1 11 . 1 1 5 5 SER HA H 5 4.444 4.444 4.883 -0.439 19876 6791 1 11 . 1 1 5 5 SER C C 5 171.907 171.907 172.327 -0.420 19876 6792 1 11 . 1 1 5 5 SER CA C 5 57.173 57.173 55.620 1.553 19876 6793 1 11 . 1 1 5 5 SER CB C 5 62.104 62.104 63.911 -1.807 19876 6794 1 11 . 1 1 5 5 SER H H 5 7.759 7.759 7.918 -0.159 19876 6795 1 11 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.665 -0.221 19876 6796 1 11 . 1 1 6 6 PRO CA C 6 63.597 63.597 63.189 0.408 19876 6797 1 11 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.438 -0.390 19876 6798 1 11 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.052 -0.264 19876 6799 1 11 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.040 -0.540 19876 6800 1 11 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.495 0.085 19876 6801 1 11 . 1 1 9 9 HIS N N 9 118.064 118.064 119.236 -1.172 19876 6802 1 11 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.344 -0.062 19876 6803 1 11 . 1 1 9 9 HIS C C 9 176.264 176.264 177.593 -1.329 19876 6804 1 11 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.913 -0.871 19876 6805 1 11 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.638 0.751 19876 6806 1 11 . 1 1 9 9 HIS H H 9 7.291 7.291 8.129 -0.838 19876 6807 1 11 . 1 1 10 10 ASP N N 10 122.089 122.089 120.161 1.928 19876 6808 1 11 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.875 -0.292 19876 6809 1 11 . 1 1 10 10 ASP C C 10 177.261 177.261 179.366 -2.105 19876 6810 1 11 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.367 -0.495 19876 6811 1 11 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.831 -0.262 19876 6812 1 11 . 1 1 10 10 ASP H H 10 8.221 8.221 9.101 -0.880 19876 6813 1 11 . 1 1 11 11 VAL N N 11 119.318 119.318 120.509 -1.191 19876 6814 1 11 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.916 -0.429 19876 6815 1 11 . 1 1 11 11 VAL C C 11 175.661 175.661 178.191 -2.530 19876 6816 1 11 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.062 -0.183 19876 6817 1 11 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.555 -0.129 19876 6818 1 11 . 1 1 11 11 VAL H H 11 8.850 8.850 8.192 0.658 19876 6819 1 11 . 1 1 12 12 ALA N N 12 121.749 121.749 121.802 -0.053 19876 6820 1 11 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.813 -0.044 19876 6821 1 11 . 1 1 12 12 ALA C C 12 179.484 179.484 179.779 -0.295 19876 6822 1 11 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.512 -0.244 19876 6823 1 11 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.114 -0.372 19876 6824 1 11 . 1 1 12 12 ALA H H 12 7.676 7.676 8.835 -1.159 19876 6825 1 11 . 1 1 13 13 GLN N N 13 119.544 119.544 119.127 0.417 19876 6826 1 11 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.989 0.018 19876 6827 1 11 . 1 1 13 13 GLN C C 13 176.075 176.075 178.490 -2.415 19876 6828 1 11 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.550 -1.318 19876 6829 1 11 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.543 -0.793 19876 6830 1 11 . 1 1 13 13 GLN H H 13 8.151 8.151 8.989 -0.838 19876 6831 1 11 . 1 1 14 14 LEU N N 14 121.127 121.127 120.811 0.316 19876 6832 1 11 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.149 -0.593 19876 6833 1 11 . 1 1 14 14 LEU C C 14 176.935 176.935 178.379 -1.444 19876 6834 1 11 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.078 -0.354 19876 6835 1 11 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.436 0.251 19876 6836 1 11 . 1 1 14 14 LEU H H 14 7.889 7.889 8.636 -0.747 19876 6837 1 11 . 1 1 15 15 LYS N N 15 120.458 120.458 119.610 0.848 19876 6838 1 11 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.235 0.427 19876 6839 1 11 . 1 1 15 15 LYS C C 15 176.022 176.022 178.351 -2.329 19876 6840 1 11 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.228 0.809 19876 6841 1 11 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.474 0.737 19876 6842 1 11 . 1 1 15 15 LYS H H 15 8.174 8.174 8.025 0.149 19876 6843 1 11 . 1 1 16 16 PHE N N 16 119.257 119.257 118.691 0.566 19876 6844 1 11 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.138 0.049 19876 6845 1 11 . 1 1 16 16 PHE C C 16 177.917 177.917 178.331 -0.414 19876 6846 1 11 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.526 -1.196 19876 6847 1 11 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.331 0.163 19876 6848 1 11 . 1 1 16 16 PHE H H 16 7.855 7.855 8.624 -0.769 19876 6849 1 11 . 1 1 17 17 LEU N N 17 121.489 121.489 120.461 1.028 19876 6850 1 11 . 1 1 17 17 LEU HA H 17 3.598 3.598 4.078 -0.480 19876 6851 1 11 . 1 1 17 17 LEU C C 17 177.988 177.988 179.069 -1.081 19876 6852 1 11 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.497 -0.535 19876 6853 1 11 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.621 1.077 19876 6854 1 11 . 1 1 17 17 LEU H H 17 8.560 8.560 8.910 -0.350 19876 6855 1 11 . 1 1 18 18 CYS N N 18 116.216 116.216 118.580 -2.364 19876 6856 1 11 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.139 0.096 19876 6857 1 11 . 1 1 18 18 CYS C C 18 176.987 176.987 177.411 -0.424 19876 6858 1 11 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.685 1.889 19876 6859 1 11 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.820 1.484 19876 6860 1 11 . 1 1 18 18 CYS H H 18 8.194 8.194 8.295 -0.101 19876 6861 1 11 . 1 1 19 19 GLU N N 19 123.947 123.947 120.504 3.443 19876 6862 1 11 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.157 -0.272 19876 6863 1 11 . 1 1 19 19 GLU C C 19 176.436 176.436 179.472 -3.036 19876 6864 1 11 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.965 -0.079 19876 6865 1 11 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.302 -0.021 19876 6866 1 11 . 1 1 19 19 GLU H H 19 8.842 8.842 8.760 0.082 19876 6867 1 11 . 1 1 20 20 SER N N 20 116.500 116.500 116.399 0.101 19876 6868 1 11 . 1 1 20 20 SER HA H 20 4.056 4.056 4.268 -0.212 19876 6869 1 11 . 1 1 20 20 SER C C 20 174.835 174.835 176.843 -2.008 19876 6870 1 11 . 1 1 20 20 SER CA C 20 61.729 61.729 62.538 -0.809 19876 6871 1 11 . 1 1 20 20 SER CB C 20 62.360 62.360 63.224 -0.863 19876 6872 1 11 . 1 1 20 20 SER H H 20 8.198 8.198 8.756 -0.558 19876 6873 1 11 . 1 1 21 21 LEU N N 21 121.186 121.186 123.278 -2.092 19876 6874 1 11 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.067 -0.156 19876 6875 1 11 . 1 1 21 21 LEU C C 21 175.905 175.905 178.120 -2.215 19876 6876 1 11 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.386 -0.433 19876 6877 1 11 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.163 -0.554 19876 6878 1 11 . 1 1 21 21 LEU H H 21 7.970 7.970 8.685 -0.715 19876 6879 1 11 . 1 1 22 22 TYR N N 22 119.690 119.690 121.039 -1.349 19876 6880 1 11 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.592 -0.274 19876 6881 1 11 . 1 1 22 22 TYR C C 22 175.453 175.453 177.999 -2.546 19876 6882 1 11 . 1 1 22 22 TYR CA C 22 62.240 62.240 61.890 0.350 19876 6883 1 11 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.296 -1.153 19876 6884 1 11 . 1 1 22 22 TYR H H 22 7.473 7.473 8.992 -1.518 19876 6885 1 11 . 1 1 23 23 ASP N N 23 118.291 118.291 118.618 -0.327 19876 6886 1 11 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.296 -0.249 19876 6887 1 11 . 1 1 23 23 ASP C C 23 178.796 178.796 178.865 -0.069 19876 6888 1 11 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.564 -1.280 19876 6889 1 11 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.817 -0.934 19876 6890 1 11 . 1 1 23 23 ASP H H 23 8.249 8.249 8.513 -0.264 19876 6891 1 11 . 1 1 24 24 GLU N N 24 120.605 120.605 119.576 1.029 19876 6892 1 11 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.984 -0.053 19876 6893 1 11 . 1 1 24 24 GLU C C 24 178.457 178.457 179.287 -0.830 19876 6894 1 11 . 1 1 24 24 GLU CA C 24 58.561 58.561 58.936 -0.375 19876 6895 1 11 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.142 -0.220 19876 6896 1 11 . 1 1 24 24 GLU H H 24 8.347 8.347 8.172 0.175 19876 6897 1 11 . 1 1 25 25 GLY N N 25 111.777 111.777 109.439 2.338 19876 6898 1 11 . 1 1 25 25 GLY C C 25 173.906 173.906 176.416 -2.510 19876 6899 1 11 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.366 0.102 19876 6900 1 11 . 1 1 25 25 GLY H H 25 8.701 8.701 8.929 -0.228 19876 6901 1 11 . 1 1 26 26 ILE N N 26 122.263 122.263 122.992 -0.729 19876 6902 1 11 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.657 0.100 19876 6903 1 11 . 1 1 26 26 ILE C C 26 178.116 178.116 178.363 -0.247 19876 6904 1 11 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.535 -1.304 19876 6905 1 11 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.577 -0.889 19876 6906 1 11 . 1 1 26 26 ILE H H 26 8.717 8.717 8.564 0.153 19876 6907 1 11 . 1 1 27 27 ALA N N 27 122.092 122.092 122.001 0.091 19876 6908 1 11 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.982 -0.022 19876 6909 1 11 . 1 1 27 27 ALA C C 27 178.428 178.428 180.031 -1.603 19876 6910 1 11 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.494 -1.001 19876 6911 1 11 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.289 -0.239 19876 6912 1 11 . 1 1 27 27 ALA H H 27 7.672 7.672 8.019 -0.347 19876 6913 1 11 . 1 1 28 28 THR N N 28 115.031 115.031 116.432 -1.401 19876 6914 1 11 . 1 1 28 28 THR HA H 28 3.734 3.734 4.123 -0.389 19876 6915 1 11 . 1 1 28 28 THR C C 28 174.403 174.403 176.303 -1.900 19876 6916 1 11 . 1 1 28 28 THR CA C 28 65.750 65.750 66.690 -0.940 19876 6917 1 11 . 1 1 28 28 THR CB C 28 68.530 68.530 69.049 -0.519 19876 6918 1 11 . 1 1 28 28 THR H H 28 7.554 7.554 8.023 -0.469 19876 6919 1 11 . 1 1 29 29 LEU N N 29 121.356 121.356 119.456 1.900 19876 6920 1 11 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.238 -0.428 19876 6921 1 11 . 1 1 29 29 LEU C C 29 176.694 176.694 178.636 -1.942 19876 6922 1 11 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.138 -0.644 19876 6923 1 11 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.712 0.468 19876 6924 1 11 . 1 1 29 29 LEU H H 29 7.580 7.580 8.641 -1.061 19876 6925 1 11 . 1 1 30 30 GLY CA C 30 44.903 44.903 45.113 -0.210 19876 6926 1 11 . 1 1 31 31 ASP N N 31 119.983 119.983 122.249 -2.266 19876 6927 1 11 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.688 -0.125 19876 6928 1 11 . 1 1 31 31 ASP C C 31 175.609 175.609 174.849 0.760 19876 6929 1 11 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.454 0.429 19876 6930 1 11 . 1 1 31 31 ASP CB C 31 41.558 41.558 42.123 -0.565 19876 6931 1 11 . 1 1 31 31 ASP H H 31 8.017 8.017 7.856 0.161 19876 6932 1 11 . 1 1 32 32 SER N N 32 118.027 118.027 119.570 -1.543 19876 6933 1 11 . 1 1 32 32 SER HA H 32 4.191 4.191 4.679 -0.488 19876 6934 1 11 . 1 1 32 32 SER C C 32 178.747 178.747 175.631 3.116 19876 6935 1 11 . 1 1 32 32 SER CA C 32 59.247 59.247 57.027 2.220 19876 6936 1 11 . 1 1 32 32 SER CB C 32 63.224 63.224 65.097 -1.873 19876 6937 1 11 . 1 1 32 32 SER H H 32 8.284 8.284 8.496 -0.212 19876 6938 1 11 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.141 0.204 19876 6939 1 11 . 1 1 33 33 HIS CA C 33 57.029 57.029 58.918 -1.889 19876 6940 1 11 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.703 -0.144 19876 6941 1 11 . 1 1 34 34 HIS N N 34 117.885 117.885 114.577 3.308 19876 6942 1 11 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.818 -0.334 19876 6943 1 11 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.297 0.650 19876 6944 1 11 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.388 0.379 19876 6945 1 11 . 1 1 34 34 HIS H H 34 7.896 7.896 7.629 0.267 19876 6946 1 11 . 1 1 35 35 GLY N N 35 108.681 108.681 107.339 1.342 19876 6947 1 11 . 1 1 35 35 GLY C C 35 172.466 172.466 174.518 -2.052 19876 6948 1 11 . 1 1 35 35 GLY CA C 35 45.299 45.299 46.336 -1.037 19876 6949 1 11 . 1 1 35 35 GLY H H 35 7.864 7.864 8.553 -0.689 19876 6950 1 11 . 1 1 36 36 TRP N N 36 120.973 120.973 119.878 1.095 19876 6951 1 11 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.865 -0.371 19876 6952 1 11 . 1 1 36 36 TRP C C 36 174.594 174.594 175.676 -1.082 19876 6953 1 11 . 1 1 36 36 TRP CA C 36 57.866 57.866 58.417 -0.551 19876 6954 1 11 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.722 -1.135 19876 6955 1 11 . 1 1 36 36 TRP H H 36 7.809 7.809 8.255 -0.446 19876 6956 1 11 . 1 1 37 37 VAL N N 37 122.778 122.778 112.348 10.430 19876 6957 1 11 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.570 -0.783 19876 6958 1 11 . 1 1 37 37 VAL C C 37 173.396 173.396 174.734 -1.338 19876 6959 1 11 . 1 1 37 37 VAL CA C 37 61.284 61.284 59.389 1.895 19876 6960 1 11 . 1 1 37 37 VAL CB C 37 33.534 33.534 34.919 -1.385 19876 6961 1 11 . 1 1 37 37 VAL H H 37 7.712 7.712 7.942 -0.230 19876 6962 1 11 . 1 1 38 38 ASN N N 38 121.869 121.869 119.749 2.120 19876 6963 1 11 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.795 -0.560 19876 6964 1 11 . 1 1 38 38 ASN C C 38 172.186 172.186 174.337 -2.151 19876 6965 1 11 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.516 1.554 19876 6966 1 11 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.889 -0.260 19876 6967 1 11 . 1 1 38 38 ASN H H 38 7.768 7.768 8.788 -1.020 19876 6968 1 11 . 1 1 39 39 ASP N N 39 123.332 123.332 126.615 -3.283 19876 6969 1 11 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.958 -0.099 19876 6970 1 11 . 1 1 39 39 ASP C C 39 173.301 173.301 176.740 -3.439 19876 6971 1 11 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.914 -3.054 19876 6972 1 11 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.253 -0.545 19876 6973 1 11 . 1 1 39 39 ASP H H 39 8.300 8.300 8.778 -0.478 19876 6974 1 11 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.670 -0.514 19876 6975 1 11 . 1 1 40 40 PRO CA C 40 63.934 63.934 65.135 -1.201 19876 6976 1 11 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.371 0.521 19876 6977 1 11 . 1 1 41 41 THR N N 41 107.824 107.824 106.427 1.397 19876 6978 1 11 . 1 1 41 41 THR HA H 41 4.191 4.191 4.427 -0.236 19876 6979 1 11 . 1 1 41 41 THR C C 41 173.405 173.405 174.836 -1.431 19876 6980 1 11 . 1 1 41 41 THR CA C 41 61.283 61.283 60.614 0.669 19876 6981 1 11 . 1 1 41 41 THR CB C 41 69.351 69.351 68.747 0.604 19876 6982 1 11 . 1 1 41 41 THR H H 41 7.923 7.923 8.154 -0.231 19876 6983 1 11 . 1 1 42 42 SER N N 42 118.745 118.745 118.330 0.415 19876 6984 1 11 . 1 1 42 42 SER HA H 42 4.187 4.187 4.382 -0.195 19876 6985 1 11 . 1 1 42 42 SER C C 42 172.750 172.750 175.832 -3.082 19876 6986 1 11 . 1 1 42 42 SER CA C 42 58.320 58.320 57.539 0.781 19876 6987 1 11 . 1 1 42 42 SER CB C 42 64.569 64.569 64.784 -0.215 19876 6988 1 11 . 1 1 42 42 SER H H 42 7.705 7.705 8.151 -0.446 19876 6989 1 11 . 1 1 43 43 ALA N N 43 124.591 124.591 130.626 -6.035 19876 6990 1 11 . 1 1 43 43 ALA HA H 43 3.960 3.960 4.054 -0.094 19876 6991 1 11 . 1 1 43 43 ALA C C 43 178.795 178.795 179.396 -0.601 19876 6992 1 11 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.200 -0.064 19876 6993 1 11 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.465 -0.321 19876 6994 1 11 . 1 1 43 43 ALA H H 43 8.540 8.540 9.083 -0.543 19876 6995 1 11 . 1 1 44 44 VAL N N 44 115.734 115.734 116.147 -0.413 19876 6996 1 11 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.468 0.251 19876 6997 1 11 . 1 1 44 44 VAL C C 44 176.057 176.057 177.576 -1.519 19876 6998 1 11 . 1 1 44 44 VAL CA C 44 64.702 64.702 66.180 -1.478 19876 6999 1 11 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.221 0.514 19876 7000 1 11 . 1 1 44 44 VAL H H 44 7.836 7.836 7.569 0.267 19876 7001 1 11 . 1 1 45 45 ASN N N 45 123.038 123.038 118.325 4.713 19876 7002 1 11 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.987 0.057 19876 7003 1 11 . 1 1 45 45 ASN C C 45 176.022 176.022 177.800 -1.778 19876 7004 1 11 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.482 0.353 19876 7005 1 11 . 1 1 45 45 ASN CB C 45 37.721 37.721 37.807 -0.086 19876 7006 1 11 . 1 1 45 45 ASN H H 45 7.709 7.709 8.109 -0.400 19876 7007 1 11 . 1 1 46 46 LEU N N 46 122.005 122.005 120.859 1.146 19876 7008 1 11 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.848 0.078 19876 7009 1 11 . 1 1 46 46 LEU C C 46 178.192 178.192 178.965 -0.773 19876 7010 1 11 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.513 -0.470 19876 7011 1 11 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.459 -0.629 19876 7012 1 11 . 1 1 46 46 LEU H H 46 8.239 8.239 8.734 -0.495 19876 7013 1 11 . 1 1 47 47 GLN N N 47 119.394 119.394 118.479 0.915 19876 7014 1 11 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.868 0.103 19876 7015 1 11 . 1 1 47 47 GLN C C 47 177.762 177.762 178.787 -1.025 19876 7016 1 11 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.269 -0.578 19876 7017 1 11 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.643 -0.516 19876 7018 1 11 . 1 1 47 47 GLN H H 47 7.825 7.825 7.953 -0.128 19876 7019 1 11 . 1 1 48 48 LEU N N 48 122.808 122.808 118.779 4.029 19876 7020 1 11 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.838 -0.095 19876 7021 1 11 . 1 1 48 48 LEU C C 48 177.366 177.366 178.591 -1.225 19876 7022 1 11 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.836 -0.562 19876 7023 1 11 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.150 0.309 19876 7024 1 11 . 1 1 48 48 LEU H H 48 7.625 7.625 8.495 -0.870 19876 7025 1 11 . 1 1 49 49 ASN N N 49 117.784 117.784 117.757 0.027 19876 7026 1 11 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.397 -0.111 19876 7027 1 11 . 1 1 49 49 ASN C C 49 176.893 176.893 177.088 -0.195 19876 7028 1 11 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.777 -0.641 19876 7029 1 11 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.349 -0.739 19876 7030 1 11 . 1 1 49 49 ASN H H 49 7.797 7.797 8.521 -0.725 19876 7031 1 11 . 1 1 50 50 ASP N N 50 120.887 120.887 121.361 -0.474 19876 7032 1 11 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.419 -0.115 19876 7033 1 11 . 1 1 50 50 ASP C C 50 177.452 177.452 178.487 -1.035 19876 7034 1 11 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.288 0.099 19876 7035 1 11 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.078 -0.488 19876 7036 1 11 . 1 1 50 50 ASP H H 50 7.868 7.868 8.463 -0.595 19876 7037 1 11 . 1 1 51 51 LEU N N 51 123.117 123.117 120.892 2.225 19876 7038 1 11 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.820 0.338 19876 7039 1 11 . 1 1 51 51 LEU C C 51 177.345 177.345 179.166 -1.821 19876 7040 1 11 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.146 -1.182 19876 7041 1 11 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.075 -1.074 19876 7042 1 11 . 1 1 51 51 LEU H H 51 7.627 7.627 8.263 -0.636 19876 7043 1 11 . 1 1 52 52 ILE N N 52 120.007 120.007 118.527 1.480 19876 7044 1 11 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.597 -0.230 19876 7045 1 11 . 1 1 52 52 ILE C C 52 176.246 176.246 178.047 -1.801 19876 7046 1 11 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.948 1.072 19876 7047 1 11 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.639 0.543 19876 7048 1 11 . 1 1 52 52 ILE H H 52 8.309 8.309 8.777 -0.468 19876 7049 1 11 . 1 1 53 53 GLU N N 53 117.619 117.619 118.817 -1.198 19876 7050 1 11 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.957 -0.026 19876 7051 1 11 . 1 1 53 53 GLU C C 53 178.193 178.193 178.907 -0.714 19876 7052 1 11 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.798 -0.345 19876 7053 1 11 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.459 -0.111 19876 7054 1 11 . 1 1 53 53 GLU H H 53 7.965 7.965 7.957 0.008 19876 7055 1 11 . 1 1 54 54 HIS N N 54 120.335 120.335 120.479 -0.144 19876 7056 1 11 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.296 0.016 19876 7057 1 11 . 1 1 54 54 HIS C C 54 177.331 177.331 177.893 -0.562 19876 7058 1 11 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.983 -0.422 19876 7059 1 11 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.899 0.298 19876 7060 1 11 . 1 1 54 54 HIS H H 54 8.117 8.117 8.550 -0.433 19876 7061 1 11 . 1 1 55 55 ILE N N 55 120.694 120.694 119.192 1.502 19876 7062 1 11 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.754 -0.315 19876 7063 1 11 . 1 1 55 55 ILE C C 55 176.281 176.281 177.840 -1.559 19876 7064 1 11 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.078 0.873 19876 7065 1 11 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.736 -0.707 19876 7066 1 11 . 1 1 55 55 ILE H H 55 8.655 8.655 8.733 -0.078 19876 7067 1 11 . 1 1 56 56 ALA N N 56 123.896 123.896 124.472 -0.576 19876 7068 1 11 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.866 -0.105 19876 7069 1 11 . 1 1 56 56 ALA C C 56 179.581 179.581 179.573 0.008 19876 7070 1 11 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.709 -0.097 19876 7071 1 11 . 1 1 56 56 ALA CB C 56 17.649 17.649 17.895 -0.246 19876 7072 1 11 . 1 1 56 56 ALA H H 56 9.063 9.063 8.935 0.128 19876 7073 1 11 . 1 1 57 57 SER N N 57 114.014 114.014 114.912 -0.898 19876 7074 1 11 . 1 1 57 57 SER HA H 57 4.165 4.165 4.252 -0.087 19876 7075 1 11 . 1 1 57 57 SER C C 57 175.540 175.540 176.788 -1.248 19876 7076 1 11 . 1 1 57 57 SER CA C 57 61.491 61.491 61.724 -0.232 19876 7077 1 11 . 1 1 57 57 SER CB C 57 62.640 62.640 62.645 -0.006 19876 7078 1 11 . 1 1 57 57 SER H H 57 7.918 7.918 8.597 -0.679 19876 7079 1 11 . 1 1 58 58 PHE N N 58 125.013 125.013 123.847 1.166 19876 7080 1 11 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.301 -0.283 19876 7081 1 11 . 1 1 58 58 PHE C C 58 177.343 177.343 176.860 0.483 19876 7082 1 11 . 1 1 58 58 PHE CA C 58 61.676 61.676 61.208 0.468 19876 7083 1 11 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.997 0.187 19876 7084 1 11 . 1 1 58 58 PHE H H 58 8.024 8.024 7.549 0.475 19876 7085 1 11 . 1 1 59 59 VAL N N 59 120.373 120.373 120.979 -0.606 19876 7086 1 11 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.297 0.360 19876 7087 1 11 . 1 1 59 59 VAL C C 59 175.403 175.403 178.103 -2.700 19876 7088 1 11 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.243 -1.141 19876 7089 1 11 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.599 -0.161 19876 7090 1 11 . 1 1 59 59 VAL H H 59 9.263 9.263 8.869 0.394 19876 7091 1 11 . 1 1 60 60 MET N N 60 120.360 120.360 118.658 1.702 19876 7092 1 11 . 1 1 60 60 MET HA H 60 4.002 4.002 3.879 0.123 19876 7093 1 11 . 1 1 60 60 MET C C 60 177.417 177.417 178.728 -1.311 19876 7094 1 11 . 1 1 60 60 MET CA C 60 59.396 59.396 59.541 -0.145 19876 7095 1 11 . 1 1 60 60 MET CB C 60 31.986 31.986 32.605 -0.619 19876 7096 1 11 . 1 1 60 60 MET H H 60 7.826 7.826 9.047 -1.221 19876 7097 1 11 . 1 1 61 61 SER N N 61 113.289 113.289 114.454 -1.165 19876 7098 1 11 . 1 1 61 61 SER HA H 61 4.035 4.035 4.210 -0.175 19876 7099 1 11 . 1 1 61 61 SER CA C 61 61.619 61.619 61.147 0.472 19876 7100 1 11 . 1 1 61 61 SER CB C 61 62.600 62.600 62.719 -0.119 19876 7101 1 11 . 1 1 61 61 SER H H 61 7.230 7.230 7.821 -0.591 19876 7102 1 11 . 1 1 62 62 PHE N N 62 126.395 126.395 123.633 2.762 19876 7103 1 11 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.852 -0.211 19876 7104 1 11 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.440 -0.496 19876 7105 1 11 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.829 1.633 19876 7106 1 11 . 1 1 62 62 PHE H H 62 8.681 8.681 8.686 -0.005 19876 7107 1 11 . 1 1 63 63 LYS N N 63 116.676 116.676 115.427 1.249 19876 7108 1 11 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.098 -0.066 19876 7109 1 11 . 1 1 63 63 LYS C C 63 177.262 177.262 177.744 -0.482 19876 7110 1 11 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.833 -0.145 19876 7111 1 11 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.123 0.726 19876 7112 1 11 . 1 1 63 63 LYS H H 63 8.585 8.585 8.543 0.042 19876 7113 1 11 . 1 1 64 64 ILE N N 64 117.020 117.020 116.871 0.149 19876 7114 1 11 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.895 -0.372 19876 7115 1 11 . 1 1 64 64 ILE C C 64 176.151 176.151 177.100 -0.949 19876 7116 1 11 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.405 -0.412 19876 7117 1 11 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.453 -0.276 19876 7118 1 11 . 1 1 64 64 ILE H H 64 6.751 6.751 7.505 -0.754 19876 7119 1 11 . 1 1 65 65 LYS N N 65 120.165 120.165 118.638 1.527 19876 7120 1 11 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.020 -0.581 19876 7121 1 11 . 1 1 65 65 LYS C C 65 175.133 175.133 177.235 -2.102 19876 7122 1 11 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.696 0.259 19876 7123 1 11 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.717 0.240 19876 7124 1 11 . 1 1 65 65 LYS H H 65 7.058 7.058 8.063 -1.005 19876 7125 1 11 . 1 1 66 66 TYR N N 66 115.421 115.421 119.945 -4.524 19876 7126 1 11 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.919 -0.031 19876 7127 1 11 . 1 1 66 66 TYR C C 66 173.061 173.061 173.456 -0.395 19876 7128 1 11 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.125 -0.596 19876 7129 1 11 . 1 1 66 66 TYR CB C 66 36.669 36.669 39.794 -3.126 19876 7130 1 11 . 1 1 66 66 TYR H H 66 7.784 7.784 8.408 -0.624 19876 7131 1 11 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.319 0.038 19876 7132 1 11 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.490 0.020 19876 7133 1 11 . 1 1 67 67 PRO CB C 67 31.905 31.905 31.911 -0.006 19876 7134 1 11 . 1 1 68 68 ASP N N 68 117.110 117.110 117.751 -0.641 19876 7135 1 11 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.275 0.452 19876 7136 1 11 . 1 1 68 68 ASP C C 68 175.024 175.024 176.797 -1.773 19876 7137 1 11 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.704 -1.961 19876 7138 1 11 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.120 0.374 19876 7139 1 11 . 1 1 68 68 ASP H H 68 8.548 8.548 8.151 0.397 19876 7140 1 11 . 1 1 69 69 ASP N N 69 122.994 122.994 117.838 5.156 19876 7141 1 11 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.587 0.404 19876 7142 1 11 . 1 1 69 69 ASP C C 69 174.782 174.782 177.426 -2.644 19876 7143 1 11 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.807 0.508 19876 7144 1 11 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.767 -0.604 19876 7145 1 11 . 1 1 69 69 ASP H H 69 7.545 7.545 7.765 -0.220 19876 7146 1 11 . 1 1 70 70 GLY N N 70 107.712 107.712 109.412 -1.700 19876 7147 1 11 . 1 1 70 70 GLY C C 70 173.987 173.987 175.585 -1.598 19876 7148 1 11 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.764 -0.432 19876 7149 1 11 . 1 1 70 70 GLY H H 70 7.879 7.879 8.508 -0.629 19876 7150 1 11 . 1 1 71 71 ASP N N 71 119.785 119.785 121.125 -1.340 19876 7151 1 11 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.459 -0.264 19876 7152 1 11 . 1 1 71 71 ASP C C 71 177.114 177.114 178.268 -1.154 19876 7153 1 11 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.539 -0.487 19876 7154 1 11 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.385 -1.040 19876 7155 1 11 . 1 1 71 71 ASP H H 71 8.447 8.447 8.033 0.414 19876 7156 1 11 . 1 1 72 72 LEU N N 72 119.776 119.776 120.787 -1.011 19876 7157 1 11 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.878 -0.011 19876 7158 1 11 . 1 1 72 72 LEU C C 72 176.531 176.531 178.153 -1.622 19876 7159 1 11 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.530 -0.078 19876 7160 1 11 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.738 -0.003 19876 7161 1 11 . 1 1 72 72 LEU H H 72 7.562 7.562 7.679 -0.117 19876 7162 1 11 . 1 1 73 73 SER N N 73 113.964 113.964 115.402 -1.438 19876 7163 1 11 . 1 1 73 73 SER HA H 73 3.605 3.605 3.955 -0.350 19876 7164 1 11 . 1 1 73 73 SER C C 73 174.610 174.610 176.907 -2.297 19876 7165 1 11 . 1 1 73 73 SER CA C 73 62.161 62.161 62.169 -0.008 19876 7166 1 11 . 1 1 73 73 SER CB C 73 62.158 62.158 62.619 -0.461 19876 7167 1 11 . 1 1 73 73 SER H H 73 8.050 8.050 8.604 -0.554 19876 7168 1 11 . 1 1 74 74 GLU N N 74 119.742 119.742 122.063 -2.321 19876 7169 1 11 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.234 -0.163 19876 7170 1 11 . 1 1 74 74 GLU C C 74 178.089 178.089 178.640 -0.551 19876 7171 1 11 . 1 1 74 74 GLU CA C 74 59.102 59.102 58.991 0.111 19876 7172 1 11 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.232 -0.019 19876 7173 1 11 . 1 1 74 74 GLU H H 74 8.623 8.623 8.164 0.459 19876 7174 1 11 . 1 1 75 75 LEU N N 75 122.325 122.325 121.819 0.506 19876 7175 1 11 . 1 1 75 75 LEU HA H 75 4.243 4.243 3.991 0.252 19876 7176 1 11 . 1 1 75 75 LEU C C 75 177.962 177.962 179.005 -1.043 19876 7177 1 11 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.348 0.032 19876 7178 1 11 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.054 0.349 19876 7179 1 11 . 1 1 75 75 LEU H H 75 7.255 7.255 7.609 -0.354 19876 7180 1 11 . 1 1 76 76 VAL N N 76 119.514 119.514 119.656 -0.142 19876 7181 1 11 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.490 0.097 19876 7182 1 11 . 1 1 76 76 VAL C C 76 176.909 176.909 178.213 -1.304 19876 7183 1 11 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.328 -0.068 19876 7184 1 11 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.316 -0.373 19876 7185 1 11 . 1 1 76 76 VAL H H 76 8.235 8.235 8.864 -0.629 19876 7186 1 11 . 1 1 77 77 GLU N N 77 118.692 118.692 120.166 -1.474 19876 7187 1 11 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.908 -0.169 19876 7188 1 11 . 1 1 77 77 GLU C C 77 177.692 177.692 179.045 -1.353 19876 7189 1 11 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.135 0.872 19876 7190 1 11 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.285 -0.128 19876 7191 1 11 . 1 1 77 77 GLU H H 77 8.204 8.204 8.561 -0.357 19876 7192 1 11 . 1 1 78 78 GLU N N 78 121.945 121.945 119.317 2.628 19876 7193 1 11 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.022 0.006 19876 7194 1 11 . 1 1 78 78 GLU C C 78 176.559 176.559 178.960 -2.401 19876 7195 1 11 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.820 -0.246 19876 7196 1 11 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.590 0.295 19876 7197 1 11 . 1 1 78 78 GLU H H 78 8.058 8.058 8.631 -0.573 19876 7198 1 11 . 1 1 79 79 TYR N N 79 119.945 119.945 121.740 -1.795 19876 7199 1 11 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.174 0.226 19876 7200 1 11 . 1 1 79 79 TYR C C 79 178.365 178.365 178.111 0.254 19876 7201 1 11 . 1 1 79 79 TYR CA C 79 60.101 60.101 61.820 -1.719 19876 7202 1 11 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.381 0.257 19876 7203 1 11 . 1 1 79 79 TYR H H 79 8.347 8.347 8.777 -0.430 19876 7204 1 11 . 1 1 80 80 LEU N N 80 123.586 123.586 120.051 3.535 19876 7205 1 11 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.839 -0.190 19876 7206 1 11 . 1 1 80 80 LEU C C 80 177.594 177.594 179.258 -1.664 19876 7207 1 11 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.652 0.027 19876 7208 1 11 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.427 -0.785 19876 7209 1 11 . 1 1 80 80 LEU H H 80 9.113 9.113 9.085 0.028 19876 7210 1 11 . 1 1 81 81 ASP N N 81 121.522 121.522 119.295 2.227 19876 7211 1 11 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.301 0.105 19876 7212 1 11 . 1 1 81 81 ASP C C 81 178.021 178.021 178.671 -0.650 19876 7213 1 11 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.051 -0.362 19876 7214 1 11 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.613 0.029 19876 7215 1 11 . 1 1 81 81 ASP H H 81 8.228 8.228 8.654 -0.426 19876 7216 1 11 . 1 1 82 82 ASP N N 82 120.931 120.931 119.581 1.350 19876 7217 1 11 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.454 -0.032 19876 7218 1 11 . 1 1 82 82 ASP C C 82 178.342 178.342 178.823 -0.481 19876 7219 1 11 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.615 0.292 19876 7220 1 11 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.739 0.094 19876 7221 1 11 . 1 1 82 82 ASP H H 82 9.139 9.139 8.744 0.395 19876 7222 1 11 . 1 1 83 83 THR N N 83 118.686 118.686 117.160 1.526 19876 7223 1 11 . 1 1 83 83 THR HA H 83 3.415 3.415 3.548 -0.133 19876 7224 1 11 . 1 1 83 83 THR C C 83 173.663 173.663 176.358 -2.695 19876 7225 1 11 . 1 1 83 83 THR CA C 83 67.258 67.258 66.549 0.709 19876 7226 1 11 . 1 1 83 83 THR CB C 83 68.017 68.017 68.741 -0.724 19876 7227 1 11 . 1 1 83 83 THR H H 83 8.394 8.394 8.759 -0.365 19876 7228 1 11 . 1 1 84 84 TYR N N 84 122.004 122.004 123.349 -1.345 19876 7229 1 11 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.136 -0.393 19876 7230 1 11 . 1 1 84 84 TYR C C 84 177.983 177.983 177.839 0.144 19876 7231 1 11 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.905 0.202 19876 7232 1 11 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.362 0.089 19876 7233 1 11 . 1 1 84 84 TYR H H 84 8.561 8.561 9.013 -0.452 19876 7234 1 11 . 1 1 85 85 THR N N 85 116.249 116.249 115.627 0.622 19876 7235 1 11 . 1 1 85 85 THR HA H 85 3.409 3.409 3.791 -0.382 19876 7236 1 11 . 1 1 85 85 THR C C 85 174.628 174.628 176.519 -1.891 19876 7237 1 11 . 1 1 85 85 THR CA C 85 66.483 66.483 66.752 -0.269 19876 7238 1 11 . 1 1 85 85 THR CB C 85 68.604 68.604 68.599 0.005 19876 7239 1 11 . 1 1 85 85 THR H H 85 8.749 8.749 8.763 -0.014 19876 7240 1 11 . 1 1 86 86 LEU N N 86 121.835 121.835 121.587 0.248 19876 7241 1 11 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.813 -0.258 19876 7242 1 11 . 1 1 86 86 LEU C C 86 176.057 176.057 179.214 -3.157 19876 7243 1 11 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.441 0.565 19876 7244 1 11 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.418 1.355 19876 7245 1 11 . 1 1 86 86 LEU H H 86 7.257 7.257 7.743 -0.486 19876 7246 1 11 . 1 1 87 87 PHE N N 87 111.264 111.264 116.769 -5.505 19876 7247 1 11 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.208 -0.231 19876 7248 1 11 . 1 1 87 87 PHE C C 87 174.687 174.687 177.942 -3.255 19876 7249 1 11 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.760 -0.020 19876 7250 1 11 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.746 0.685 19876 7251 1 11 . 1 1 87 87 PHE H H 87 7.168 7.168 7.742 -0.574 19876 7252 1 11 . 1 1 88 88 SER N N 88 112.848 112.848 112.683 0.165 19876 7253 1 11 . 1 1 88 88 SER HA H 88 4.207 4.207 4.233 -0.026 19876 7254 1 11 . 1 1 88 88 SER C C 88 172.760 172.760 174.851 -2.091 19876 7255 1 11 . 1 1 88 88 SER CA C 88 58.725 58.725 59.086 -0.361 19876 7256 1 11 . 1 1 88 88 SER CB C 88 63.342 63.342 63.045 0.297 19876 7257 1 11 . 1 1 88 88 SER H H 88 7.290 7.290 8.108 -0.818 19876 7258 1 11 . 1 1 89 89 SER N N 89 116.554 116.554 117.253 -0.699 19876 7259 1 11 . 1 1 89 89 SER HA H 89 4.347 4.347 4.266 0.081 19876 7260 1 11 . 1 1 89 89 SER C C 89 172.251 172.251 174.992 -2.741 19876 7261 1 11 . 1 1 89 89 SER CA C 89 57.597 57.597 58.008 -0.410 19876 7262 1 11 . 1 1 89 89 SER CB C 89 64.426 64.426 63.871 0.555 19876 7263 1 11 . 1 1 89 89 SER H H 89 7.064 7.064 7.340 -0.276 19876 7264 1 11 . 1 1 90 90 TYR N N 90 122.348 122.348 119.936 2.412 19876 7265 1 11 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.241 0.102 19876 7266 1 11 . 1 1 90 90 TYR C C 90 175.043 175.043 176.423 -1.380 19876 7267 1 11 . 1 1 90 90 TYR CA C 90 58.972 58.972 60.192 -1.220 19876 7268 1 11 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.614 -0.988 19876 7269 1 11 . 1 1 90 90 TYR H H 90 8.446 8.446 8.487 -0.041 19876 7270 1 11 . 1 1 91 91 GLY N N 91 111.349 111.349 101.551 9.798 19876 7271 1 11 . 1 1 91 91 GLY C C 91 170.874 170.874 172.620 -1.746 19876 7272 1 11 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.052 1.682 19876 7273 1 11 . 1 1 91 91 GLY H H 91 7.820 7.820 7.645 0.175 19876 7274 1 11 . 1 1 92 92 ILE N N 92 121.703 121.703 120.313 1.390 19876 7275 1 11 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.905 -0.027 19876 7276 1 11 . 1 1 92 92 ILE C C 92 173.956 173.956 175.581 -1.625 19876 7277 1 11 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.110 0.017 19876 7278 1 11 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.368 2.074 19876 7279 1 11 . 1 1 92 92 ILE H H 92 8.032 8.032 8.459 -0.427 19876 7280 1 11 . 1 1 93 93 ASN N N 93 125.791 125.791 127.088 -1.297 19876 7281 1 11 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.942 -0.028 19876 7282 1 11 . 1 1 93 93 ASN C C 93 173.468 173.468 175.940 -2.472 19876 7283 1 11 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.151 -0.709 19876 7284 1 11 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.060 0.087 19876 7285 1 11 . 1 1 93 93 ASN H H 93 8.423 8.423 8.342 0.081 19876 7286 1 11 . 1 1 94 94 ASP N N 94 122.019 122.019 124.944 -2.925 19876 7287 1 11 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.437 0.054 19876 7288 1 11 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.415 0.703 19876 7289 1 11 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.924 0.364 19876 7290 1 11 . 1 1 94 94 ASP H H 94 8.710 8.710 9.024 -0.315 19876 7291 1 11 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.274 -0.120 19876 7292 1 11 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.906 0.648 19876 7293 1 11 . 1 1 95 95 PRO CB C 95 30.749 30.749 30.918 -0.169 19876 7294 1 11 . 1 1 96 96 GLU N N 96 117.965 117.965 117.964 0.001 19876 7295 1 11 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.065 -0.204 19876 7296 1 11 . 1 1 96 96 GLU C C 96 177.730 177.730 179.179 -1.449 19876 7297 1 11 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.311 0.571 19876 7298 1 11 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.446 0.392 19876 7299 1 11 . 1 1 96 96 GLU H H 96 7.954 7.954 8.606 -0.652 19876 7300 1 11 . 1 1 97 97 LEU N N 97 124.427 124.427 122.042 2.385 19876 7301 1 11 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.953 0.156 19876 7302 1 11 . 1 1 97 97 LEU C C 97 177.211 177.211 179.024 -1.813 19876 7303 1 11 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.206 -0.156 19876 7304 1 11 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.602 0.169 19876 7305 1 11 . 1 1 97 97 LEU H H 97 7.825 7.825 8.022 -0.197 19876 7306 1 11 . 1 1 98 98 GLN N N 98 117.195 117.195 118.311 -1.116 19876 7307 1 11 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.032 -0.042 19876 7308 1 11 . 1 1 98 98 GLN C C 98 177.762 177.762 178.822 -1.060 19876 7309 1 11 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.612 0.011 19876 7310 1 11 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.653 0.348 19876 7311 1 11 . 1 1 98 98 GLN H H 98 8.481 8.481 8.746 -0.265 19876 7312 1 11 . 1 1 99 99 ARG N N 99 119.687 119.687 120.959 -1.272 19876 7313 1 11 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.120 -0.198 19876 7314 1 11 . 1 1 99 99 ARG C C 99 176.055 176.055 178.357 -2.302 19876 7315 1 11 . 1 1 99 99 ARG CA C 99 59.613 59.613 58.485 1.128 19876 7316 1 11 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.536 0.786 19876 7317 1 11 . 1 1 99 99 ARG H H 99 7.836 7.836 8.290 -0.454 19876 7318 1 11 . 1 1 100 100 TRP N N 100 119.762 119.762 122.184 -2.422 19876 7319 1 11 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.644 -0.415 19876 7320 1 11 . 1 1 100 100 TRP C C 100 176.004 176.004 178.608 -2.604 19876 7321 1 11 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.307 0.698 19876 7322 1 11 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.353 -0.405 19876 7323 1 11 . 1 1 100 100 TRP H H 100 7.731 7.731 8.820 -1.089 19876 7324 1 11 . 1 1 101 101 GLN N N 101 115.464 115.464 117.204 -1.740 19876 7325 1 11 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.935 -0.450 19876 7326 1 11 . 1 1 101 101 GLN C C 101 177.498 177.498 178.731 -1.233 19876 7327 1 11 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.631 -0.467 19876 7328 1 11 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.177 -0.095 19876 7329 1 11 . 1 1 101 101 GLN H H 101 8.277 8.277 8.990 -0.713 19876 7330 1 11 . 1 1 102 102 LYS N N 102 119.856 119.856 120.399 -0.543 19876 7331 1 11 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.017 -0.105 19876 7332 1 11 . 1 1 102 102 LYS C C 102 178.364 178.364 179.239 -0.875 19876 7333 1 11 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.806 -0.627 19876 7334 1 11 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.265 -0.440 19876 7335 1 11 . 1 1 102 102 LYS H H 102 8.047 8.047 8.555 -0.508 19876 7336 1 11 . 1 1 103 103 THR N N 103 121.217 121.217 116.022 5.195 19876 7337 1 11 . 1 1 103 103 THR HA H 103 3.658 3.658 3.986 -0.328 19876 7338 1 11 . 1 1 103 103 THR C C 103 174.266 174.266 176.384 -2.118 19876 7339 1 11 . 1 1 103 103 THR CA C 103 66.206 66.206 66.789 -0.583 19876 7340 1 11 . 1 1 103 103 THR CB C 103 67.515 67.515 68.480 -0.965 19876 7341 1 11 . 1 1 103 103 THR H H 103 8.816 8.816 8.536 0.280 19876 7342 1 11 . 1 1 104 104 LYS N N 104 122.265 122.265 121.482 0.783 19876 7343 1 11 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.650 -0.599 19876 7344 1 11 . 1 1 104 104 LYS C C 104 176.952 176.952 178.708 -1.756 19876 7345 1 11 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.159 1.361 19876 7346 1 11 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.252 -0.912 19876 7347 1 11 . 1 1 104 104 LYS H H 104 8.258 8.258 8.528 -0.270 19876 7348 1 11 . 1 1 105 105 GLU N N 105 118.912 118.912 120.065 -1.153 19876 7349 1 11 . 1 1 105 105 GLU HA H 105 3.598 3.598 4.034 -0.436 19876 7350 1 11 . 1 1 105 105 GLU C C 105 178.038 178.038 178.995 -0.957 19876 7351 1 11 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.745 -0.227 19876 7352 1 11 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.299 -0.267 19876 7353 1 11 . 1 1 105 105 GLU H H 105 7.963 7.963 8.306 -0.343 19876 7354 1 11 . 1 1 106 106 ARG N N 106 120.201 120.201 119.211 0.990 19876 7355 1 11 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.933 -0.237 19876 7356 1 11 . 1 1 106 106 ARG C C 106 177.744 177.744 178.950 -1.206 19876 7357 1 11 . 1 1 106 106 ARG CA C 106 59.994 59.994 58.941 1.053 19876 7358 1 11 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.785 1.003 19876 7359 1 11 . 1 1 106 106 ARG H H 106 7.940 7.940 8.214 -0.274 19876 7360 1 11 . 1 1 107 107 LEU N N 107 120.982 120.982 120.652 0.330 19876 7361 1 11 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.794 -0.049 19876 7362 1 11 . 1 1 107 107 LEU C C 107 176.173 176.173 178.299 -2.126 19876 7363 1 11 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.803 -0.366 19876 7364 1 11 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.220 -0.351 19876 7365 1 11 . 1 1 107 107 LEU H H 107 8.242 8.242 8.221 0.021 19876 7366 1 11 . 1 1 108 108 PHE N N 108 117.793 117.793 117.949 -0.156 19876 7367 1 11 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.182 -0.180 19876 7368 1 11 . 1 1 108 108 PHE C C 108 177.654 177.654 178.119 -0.465 19876 7369 1 11 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.906 -0.717 19876 7370 1 11 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.145 -1.360 19876 7371 1 11 . 1 1 108 108 PHE H H 108 8.772 8.772 8.153 0.619 19876 7372 1 11 . 1 1 109 109 ARG N N 109 121.726 121.726 118.319 3.407 19876 7373 1 11 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.039 -0.033 19876 7374 1 11 . 1 1 109 109 ARG C C 109 177.785 177.785 178.310 -0.525 19876 7375 1 11 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.911 0.431 19876 7376 1 11 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.945 -0.147 19876 7377 1 11 . 1 1 109 109 ARG H H 109 7.865 7.865 8.667 -0.802 19876 7378 1 11 . 1 1 110 110 LEU N N 110 121.486 121.486 119.570 1.916 19876 7379 1 11 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.408 -0.314 19876 7380 1 11 . 1 1 110 110 LEU C C 110 178.537 178.537 178.099 0.438 19876 7381 1 11 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.482 0.359 19876 7382 1 11 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.717 -0.896 19876 7383 1 11 . 1 1 110 110 LEU H H 110 7.338 7.338 7.935 -0.597 19876 7384 1 11 . 1 1 111 111 PHE N N 111 115.883 115.883 119.131 -3.248 19876 7385 1 11 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.097 0.219 19876 7386 1 11 . 1 1 111 111 PHE C C 111 175.369 175.369 177.675 -2.306 19876 7387 1 11 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.074 -1.995 19876 7388 1 11 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.268 0.243 19876 7389 1 11 . 1 1 111 111 PHE H H 111 7.584 7.584 8.692 -1.108 19876 7390 1 11 . 1 1 112 112 SER N N 112 111.693 111.693 113.317 -1.624 19876 7391 1 11 . 1 1 112 112 SER HA H 112 4.329 4.329 4.404 -0.075 19876 7392 1 11 . 1 1 112 112 SER C C 112 173.353 173.353 175.299 -1.946 19876 7393 1 11 . 1 1 112 112 SER CA C 112 59.050 59.050 59.682 -0.632 19876 7394 1 11 . 1 1 112 112 SER CB C 112 63.841 63.841 63.548 0.293 19876 7395 1 11 . 1 1 112 112 SER H H 112 7.554 7.554 7.948 -0.394 19876 7396 1 11 . 1 1 113 113 GLY N N 113 109.665 109.665 108.538 1.127 19876 7397 1 11 . 1 1 113 113 GLY C C 113 173.407 173.407 174.059 -0.652 19876 7398 1 11 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.054 0.320 19876 7399 1 11 . 1 1 113 113 GLY H H 113 7.781 7.781 8.039 -0.258 19876 7400 1 11 . 1 1 114 114 GLU N N 114 121.028 121.028 121.303 -0.275 19876 7401 1 11 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.105 -0.103 19876 7402 1 11 . 1 1 114 114 GLU C C 114 175.971 175.971 177.731 -1.760 19876 7403 1 11 . 1 1 114 114 GLU CA C 114 58.310 58.310 56.985 1.325 19876 7404 1 11 . 1 1 114 114 GLU CB C 114 30.164 30.164 30.058 0.106 19876 7405 1 11 . 1 1 114 114 GLU H H 114 8.414 8.414 8.368 0.046 19876 7406 1 11 . 1 1 115 115 TYR N N 115 118.828 118.828 117.487 1.341 19876 7407 1 11 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.620 -0.308 19876 7408 1 11 . 1 1 115 115 TYR C C 115 175.248 175.248 178.265 -3.017 19876 7409 1 11 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.738 -0.004 19876 7410 1 11 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.658 -0.287 19876 7411 1 11 . 1 1 115 115 TYR H H 115 7.939 7.939 7.935 0.004 19876 7412 1 11 . 1 1 116 116 ILE N N 116 120.412 120.412 120.262 0.150 19876 7413 1 11 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.660 0.083 19876 7414 1 11 . 1 1 116 116 ILE C C 116 175.591 175.591 177.875 -2.284 19876 7415 1 11 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.033 -1.897 19876 7416 1 11 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.540 0.687 19876 7417 1 11 . 1 1 116 116 ILE H H 116 7.892 7.892 7.917 -0.025 19876 7418 1 11 . 1 1 117 117 SER N N 117 117.142 117.142 112.591 4.551 19876 7419 1 11 . 1 1 117 117 SER HA H 117 4.141 4.141 4.134 0.007 19876 7420 1 11 . 1 1 117 117 SER C C 117 174.795 174.795 175.722 -0.927 19876 7421 1 11 . 1 1 117 117 SER CA C 117 60.437 60.437 61.677 -1.240 19876 7422 1 11 . 1 1 117 117 SER CB C 117 62.987 62.987 62.328 0.659 19876 7423 1 11 . 1 1 117 117 SER H H 117 8.127 8.127 8.717 -0.590 19876 7424 1 11 . 1 1 118 118 THR N N 118 115.779 115.779 112.873 2.906 19876 7425 1 11 . 1 1 118 118 THR HA H 118 3.987 3.987 4.243 -0.256 19876 7426 1 11 . 1 1 118 118 THR C C 118 174.025 174.025 175.806 -1.781 19876 7427 1 11 . 1 1 118 118 THR CA C 118 64.026 64.026 63.994 0.032 19876 7428 1 11 . 1 1 118 118 THR CB C 118 68.953 68.953 69.051 -0.098 19876 7429 1 11 . 1 1 118 118 THR H H 118 7.872 7.872 7.263 0.609 19876 7430 1 11 . 1 1 119 119 LEU N N 119 122.845 122.845 121.867 0.978 19876 7431 1 11 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.387 -0.339 19876 7432 1 11 . 1 1 119 119 LEU C C 119 176.246 176.246 176.744 -0.498 19876 7433 1 11 . 1 1 119 119 LEU CA C 119 56.081 56.081 56.875 -0.794 19876 7434 1 11 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.791 -0.586 19876 7435 1 11 . 1 1 119 119 LEU H H 119 7.679 7.679 7.941 -0.262 19876 7436 1 11 . 1 1 120 120 MET N N 120 117.447 117.447 115.789 1.658 19876 7437 1 11 . 1 1 120 120 MET HA H 120 4.243 4.243 4.619 -0.376 19876 7438 1 11 . 1 1 120 120 MET C C 120 174.594 174.594 177.621 -3.027 19876 7439 1 11 . 1 1 120 120 MET CA C 120 55.470 55.470 55.245 0.225 19876 7440 1 11 . 1 1 120 120 MET CB C 120 32.606 32.606 33.034 -0.428 19876 7441 1 11 . 1 1 120 120 MET H H 120 7.812 7.812 7.926 -0.114 19876 7442 1 11 . 1 1 121 121 LYS N N 121 121.578 121.578 119.884 1.694 19876 7443 1 11 . 1 1 121 121 LYS HA H 121 4.235 4.235 3.892 0.343 19876 7444 1 11 . 1 1 121 121 LYS C C 121 174.539 174.539 177.274 -2.735 19876 7445 1 11 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.696 -2.215 19876 7446 1 11 . 1 1 121 121 LYS CB C 121 32.966 32.966 31.846 1.121 19876 7447 1 11 . 1 1 121 121 LYS H H 121 7.790 7.790 8.613 -0.823 19876 7448 1 12 . 1 1 2 2 ASP N N 2 122.949 122.949 121.100 1.849 19876 7449 1 12 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.884 -0.440 19876 7450 1 12 . 1 1 2 2 ASP C C 2 174.891 174.891 174.694 0.197 19876 7451 1 12 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.408 0.214 19876 7452 1 12 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.434 -1.115 19876 7453 1 12 . 1 1 2 2 ASP H H 2 8.386 8.386 8.520 -0.134 19876 7454 1 12 . 1 1 3 3 GLU N N 3 119.296 119.296 120.287 -0.991 19876 7455 1 12 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.235 -0.371 19876 7456 1 12 . 1 1 3 3 GLU C C 3 175.006 175.006 176.077 -1.071 19876 7457 1 12 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.833 2.240 19876 7458 1 12 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.731 -0.164 19876 7459 1 12 . 1 1 3 3 GLU H H 3 8.601 8.601 8.604 -0.003 19876 7460 1 12 . 1 1 4 4 TYR N N 4 118.038 118.038 123.939 -5.901 19876 7461 1 12 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.358 0.095 19876 7462 1 12 . 1 1 4 4 TYR C C 4 174.761 174.761 176.366 -1.605 19876 7463 1 12 . 1 1 4 4 TYR CA C 4 57.574 57.574 59.482 -1.908 19876 7464 1 12 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.514 0.481 19876 7465 1 12 . 1 1 4 4 TYR H H 4 8.049 8.049 7.926 0.123 19876 7466 1 12 . 1 1 5 5 SER N N 5 118.519 118.519 113.190 5.329 19876 7467 1 12 . 1 1 5 5 SER HA H 5 4.444 4.444 4.787 -0.343 19876 7468 1 12 . 1 1 5 5 SER C C 5 171.907 171.907 172.198 -0.291 19876 7469 1 12 . 1 1 5 5 SER CA C 5 57.173 57.173 56.204 0.969 19876 7470 1 12 . 1 1 5 5 SER CB C 5 62.104 62.104 63.834 -1.730 19876 7471 1 12 . 1 1 5 5 SER H H 5 7.759 7.759 7.873 -0.114 19876 7472 1 12 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.313 0.131 19876 7473 1 12 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.955 0.642 19876 7474 1 12 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.100 -0.052 19876 7475 1 12 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.277 -0.489 19876 7476 1 12 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.316 0.184 19876 7477 1 12 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.561 0.020 19876 7478 1 12 . 1 1 9 9 HIS N N 9 118.064 118.064 120.714 -2.650 19876 7479 1 12 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.343 -0.061 19876 7480 1 12 . 1 1 9 9 HIS C C 9 176.264 176.264 177.592 -1.328 19876 7481 1 12 . 1 1 9 9 HIS CA C 9 59.043 59.043 60.336 -1.293 19876 7482 1 12 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.897 0.492 19876 7483 1 12 . 1 1 9 9 HIS H H 9 7.291 7.291 7.862 -0.571 19876 7484 1 12 . 1 1 10 10 ASP N N 10 122.089 122.089 118.130 3.959 19876 7485 1 12 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.940 -0.357 19876 7486 1 12 . 1 1 10 10 ASP C C 10 177.261 177.261 178.927 -1.666 19876 7487 1 12 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.669 0.203 19876 7488 1 12 . 1 1 10 10 ASP CB C 10 40.569 40.569 39.966 0.603 19876 7489 1 12 . 1 1 10 10 ASP H H 10 8.221 8.221 8.166 0.055 19876 7490 1 12 . 1 1 11 11 VAL N N 11 119.318 119.318 121.570 -2.252 19876 7491 1 12 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.065 -0.578 19876 7492 1 12 . 1 1 11 11 VAL C C 11 175.661 175.661 178.260 -2.599 19876 7493 1 12 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.991 -0.112 19876 7494 1 12 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.443 -0.017 19876 7495 1 12 . 1 1 11 11 VAL H H 11 8.850 8.850 7.747 1.103 19876 7496 1 12 . 1 1 12 12 ALA N N 12 121.749 121.749 122.263 -0.514 19876 7497 1 12 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.742 0.027 19876 7498 1 12 . 1 1 12 12 ALA C C 12 179.484 179.484 179.625 -0.141 19876 7499 1 12 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.577 -0.309 19876 7500 1 12 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.307 -0.565 19876 7501 1 12 . 1 1 12 12 ALA H H 12 7.676 7.676 8.723 -1.047 19876 7502 1 12 . 1 1 13 13 GLN N N 13 119.544 119.544 119.027 0.517 19876 7503 1 12 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.065 -0.058 19876 7504 1 12 . 1 1 13 13 GLN C C 13 176.075 176.075 178.631 -2.556 19876 7505 1 12 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.059 -0.827 19876 7506 1 12 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.503 -0.753 19876 7507 1 12 . 1 1 13 13 GLN H H 13 8.151 8.151 8.672 -0.521 19876 7508 1 12 . 1 1 14 14 LEU N N 14 121.127 121.127 120.790 0.337 19876 7509 1 12 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.146 -0.590 19876 7510 1 12 . 1 1 14 14 LEU C C 14 176.935 176.935 178.569 -1.634 19876 7511 1 12 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.348 -0.624 19876 7512 1 12 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.422 0.265 19876 7513 1 12 . 1 1 14 14 LEU H H 14 7.889 7.889 8.725 -0.836 19876 7514 1 12 . 1 1 15 15 LYS N N 15 120.458 120.458 118.806 1.652 19876 7515 1 12 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.413 -0.751 19876 7516 1 12 . 1 1 15 15 LYS C C 15 176.022 176.022 178.677 -2.655 19876 7517 1 12 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.026 1.012 19876 7518 1 12 . 1 1 15 15 LYS CB C 15 32.211 32.211 30.933 1.278 19876 7519 1 12 . 1 1 15 15 LYS H H 15 8.174 8.174 7.597 0.577 19876 7520 1 12 . 1 1 16 16 PHE N N 16 119.257 119.257 121.058 -1.801 19876 7521 1 12 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.069 0.118 19876 7522 1 12 . 1 1 16 16 PHE C C 16 177.917 177.917 178.353 -0.436 19876 7523 1 12 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.847 -1.517 19876 7524 1 12 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.297 0.197 19876 7525 1 12 . 1 1 16 16 PHE H H 16 7.855 7.855 8.558 -0.703 19876 7526 1 12 . 1 1 17 17 LEU N N 17 121.489 121.489 119.635 1.854 19876 7527 1 12 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.981 -0.383 19876 7528 1 12 . 1 1 17 17 LEU C C 17 177.988 177.988 179.167 -1.179 19876 7529 1 12 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.678 -0.716 19876 7530 1 12 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.673 1.025 19876 7531 1 12 . 1 1 17 17 LEU H H 17 8.560 8.560 8.856 -0.296 19876 7532 1 12 . 1 1 18 18 CYS N N 18 116.216 116.216 118.773 -2.557 19876 7533 1 12 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.214 0.021 19876 7534 1 12 . 1 1 18 18 CYS C C 18 176.987 176.987 177.393 -0.406 19876 7535 1 12 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.925 1.649 19876 7536 1 12 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.241 1.063 19876 7537 1 12 . 1 1 18 18 CYS H H 18 8.194 8.194 8.189 0.005 19876 7538 1 12 . 1 1 19 19 GLU N N 19 123.947 123.947 120.669 3.278 19876 7539 1 12 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.065 -0.180 19876 7540 1 12 . 1 1 19 19 GLU C C 19 176.436 176.436 179.536 -3.100 19876 7541 1 12 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.936 -0.050 19876 7542 1 12 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.271 0.010 19876 7543 1 12 . 1 1 19 19 GLU H H 19 8.842 8.842 9.030 -0.188 19876 7544 1 12 . 1 1 20 20 SER N N 20 116.500 116.500 116.098 0.402 19876 7545 1 12 . 1 1 20 20 SER HA H 20 4.056 4.056 4.278 -0.222 19876 7546 1 12 . 1 1 20 20 SER C C 20 174.835 174.835 176.864 -2.029 19876 7547 1 12 . 1 1 20 20 SER CA C 20 61.729 61.729 61.960 -0.231 19876 7548 1 12 . 1 1 20 20 SER CB C 20 62.360 62.360 63.431 -1.071 19876 7549 1 12 . 1 1 20 20 SER H H 20 8.198 8.198 8.507 -0.309 19876 7550 1 12 . 1 1 21 21 LEU N N 21 121.186 121.186 124.027 -2.841 19876 7551 1 12 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.074 -0.163 19876 7552 1 12 . 1 1 21 21 LEU C C 21 175.905 175.905 178.410 -2.505 19876 7553 1 12 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.467 -0.514 19876 7554 1 12 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.981 -0.372 19876 7555 1 12 . 1 1 21 21 LEU H H 21 7.970 7.970 8.699 -0.729 19876 7556 1 12 . 1 1 22 22 TYR N N 22 119.690 119.690 120.267 -0.577 19876 7557 1 12 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.125 0.193 19876 7558 1 12 . 1 1 22 22 TYR C C 22 175.453 175.453 178.015 -2.562 19876 7559 1 12 . 1 1 22 22 TYR CA C 22 62.240 62.240 61.144 1.097 19876 7560 1 12 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.950 -0.807 19876 7561 1 12 . 1 1 22 22 TYR H H 22 7.473 7.473 9.231 -1.758 19876 7562 1 12 . 1 1 23 23 ASP N N 23 118.291 118.291 118.858 -0.567 19876 7563 1 12 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.364 -0.317 19876 7564 1 12 . 1 1 23 23 ASP C C 23 178.796 178.796 178.667 0.129 19876 7565 1 12 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.732 -0.448 19876 7566 1 12 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.745 -0.862 19876 7567 1 12 . 1 1 23 23 ASP H H 23 8.249 8.249 7.996 0.253 19876 7568 1 12 . 1 1 24 24 GLU N N 24 120.605 120.605 119.652 0.953 19876 7569 1 12 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.981 -0.050 19876 7570 1 12 . 1 1 24 24 GLU C C 24 178.457 178.457 179.594 -1.137 19876 7571 1 12 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.494 -0.933 19876 7572 1 12 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.472 -0.550 19876 7573 1 12 . 1 1 24 24 GLU H H 24 8.347 8.347 8.532 -0.185 19876 7574 1 12 . 1 1 25 25 GLY N N 25 111.777 111.777 109.024 2.753 19876 7575 1 12 . 1 1 25 25 GLY C C 25 173.906 173.906 176.429 -2.523 19876 7576 1 12 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.379 0.089 19876 7577 1 12 . 1 1 25 25 GLY H H 25 8.701 8.701 9.018 -0.317 19876 7578 1 12 . 1 1 26 26 ILE N N 26 122.263 122.263 123.780 -1.517 19876 7579 1 12 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.679 0.078 19876 7580 1 12 . 1 1 26 26 ILE C C 26 178.116 178.116 178.243 -0.127 19876 7581 1 12 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.721 -1.490 19876 7582 1 12 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.757 -1.069 19876 7583 1 12 . 1 1 26 26 ILE H H 26 8.717 8.717 8.830 -0.113 19876 7584 1 12 . 1 1 27 27 ALA N N 27 122.092 122.092 121.436 0.656 19876 7585 1 12 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.954 0.006 19876 7586 1 12 . 1 1 27 27 ALA C C 27 178.428 178.428 179.798 -1.370 19876 7587 1 12 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.469 -0.976 19876 7588 1 12 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.217 -0.167 19876 7589 1 12 . 1 1 27 27 ALA H H 27 7.672 7.672 8.504 -0.832 19876 7590 1 12 . 1 1 28 28 THR N N 28 115.031 115.031 114.142 0.889 19876 7591 1 12 . 1 1 28 28 THR HA H 28 3.734 3.734 4.203 -0.469 19876 7592 1 12 . 1 1 28 28 THR C C 28 174.403 174.403 176.035 -1.632 19876 7593 1 12 . 1 1 28 28 THR CA C 28 65.750 65.750 65.873 -0.123 19876 7594 1 12 . 1 1 28 28 THR CB C 28 68.530 68.530 69.396 -0.866 19876 7595 1 12 . 1 1 28 28 THR H H 28 7.554 7.554 7.648 -0.094 19876 7596 1 12 . 1 1 29 29 LEU N N 29 121.356 121.356 119.571 1.785 19876 7597 1 12 . 1 1 29 29 LEU HA H 29 3.810 3.810 3.989 -0.179 19876 7598 1 12 . 1 1 29 29 LEU C C 29 176.694 176.694 178.748 -2.054 19876 7599 1 12 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.995 -0.501 19876 7600 1 12 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.674 0.505 19876 7601 1 12 . 1 1 29 29 LEU H H 29 7.580 7.580 8.447 -0.867 19876 7602 1 12 . 1 1 30 30 GLY CA C 30 44.903 44.903 46.145 -1.242 19876 7603 1 12 . 1 1 31 31 ASP N N 31 119.983 119.983 118.527 1.456 19876 7604 1 12 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.790 -0.227 19876 7605 1 12 . 1 1 31 31 ASP C C 31 175.609 175.609 174.934 0.675 19876 7606 1 12 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.427 0.456 19876 7607 1 12 . 1 1 31 31 ASP CB C 31 41.558 41.558 43.392 -1.834 19876 7608 1 12 . 1 1 31 31 ASP H H 31 8.017 8.017 7.813 0.204 19876 7609 1 12 . 1 1 32 32 SER N N 32 118.027 118.027 119.258 -1.231 19876 7610 1 12 . 1 1 32 32 SER HA H 32 4.191 4.191 4.568 -0.377 19876 7611 1 12 . 1 1 32 32 SER C C 32 178.747 178.747 175.892 2.855 19876 7612 1 12 . 1 1 32 32 SER CA C 32 59.247 59.247 58.320 0.927 19876 7613 1 12 . 1 1 32 32 SER CB C 32 63.224 63.224 64.494 -1.270 19876 7614 1 12 . 1 1 32 32 SER H H 32 8.284 8.284 8.595 -0.311 19876 7615 1 12 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.285 0.060 19876 7616 1 12 . 1 1 33 33 HIS CA C 33 57.029 57.029 57.925 -0.895 19876 7617 1 12 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.685 -0.126 19876 7618 1 12 . 1 1 34 34 HIS N N 34 117.885 117.885 115.117 2.768 19876 7619 1 12 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.612 -0.128 19876 7620 1 12 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.285 0.661 19876 7621 1 12 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.810 -0.043 19876 7622 1 12 . 1 1 34 34 HIS H H 34 7.896 7.896 7.755 0.141 19876 7623 1 12 . 1 1 35 35 GLY N N 35 108.681 108.681 106.124 2.557 19876 7624 1 12 . 1 1 35 35 GLY C C 35 172.466 172.466 174.147 -1.681 19876 7625 1 12 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.794 -0.495 19876 7626 1 12 . 1 1 35 35 GLY H H 35 7.864 7.864 7.841 0.023 19876 7627 1 12 . 1 1 36 36 TRP N N 36 120.973 120.973 119.152 1.821 19876 7628 1 12 . 1 1 36 36 TRP HA H 36 4.494 4.494 5.028 -0.534 19876 7629 1 12 . 1 1 36 36 TRP C C 36 174.594 174.594 175.555 -0.961 19876 7630 1 12 . 1 1 36 36 TRP CA C 36 57.866 57.866 56.021 1.845 19876 7631 1 12 . 1 1 36 36 TRP CB C 36 29.587 29.587 31.091 -1.504 19876 7632 1 12 . 1 1 36 36 TRP H H 36 7.809 7.809 7.736 0.073 19876 7633 1 12 . 1 1 37 37 VAL N N 37 122.778 122.778 116.501 6.277 19876 7634 1 12 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.075 -0.288 19876 7635 1 12 . 1 1 37 37 VAL C C 37 173.396 173.396 175.135 -1.739 19876 7636 1 12 . 1 1 37 37 VAL CA C 37 61.284 61.284 62.457 -1.173 19876 7637 1 12 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.175 0.359 19876 7638 1 12 . 1 1 37 37 VAL H H 37 7.712 7.712 8.294 -0.582 19876 7639 1 12 . 1 1 38 38 ASN N N 38 121.869 121.869 120.940 0.929 19876 7640 1 12 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.732 -0.497 19876 7641 1 12 . 1 1 38 38 ASN C C 38 172.186 172.186 173.981 -1.795 19876 7642 1 12 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.902 1.168 19876 7643 1 12 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.048 0.581 19876 7644 1 12 . 1 1 38 38 ASN H H 38 7.768 7.768 8.665 -0.897 19876 7645 1 12 . 1 1 39 39 ASP N N 39 123.332 123.332 127.159 -3.827 19876 7646 1 12 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.404 0.455 19876 7647 1 12 . 1 1 39 39 ASP C C 39 173.301 173.301 175.625 -2.324 19876 7648 1 12 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.605 -1.745 19876 7649 1 12 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.945 -1.237 19876 7650 1 12 . 1 1 39 39 ASP H H 39 8.300 8.300 8.675 -0.375 19876 7651 1 12 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.300 -0.144 19876 7652 1 12 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.574 -0.640 19876 7653 1 12 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.963 0.929 19876 7654 1 12 . 1 1 41 41 THR N N 41 107.824 107.824 109.592 -1.768 19876 7655 1 12 . 1 1 41 41 THR HA H 41 4.191 4.191 4.204 -0.013 19876 7656 1 12 . 1 1 41 41 THR C C 41 173.405 173.405 174.924 -1.519 19876 7657 1 12 . 1 1 41 41 THR CA C 41 61.283 61.283 63.084 -1.801 19876 7658 1 12 . 1 1 41 41 THR CB C 41 69.351 69.351 68.920 0.431 19876 7659 1 12 . 1 1 41 41 THR H H 41 7.923 7.923 8.080 -0.157 19876 7660 1 12 . 1 1 42 42 SER N N 42 118.745 118.745 117.424 1.321 19876 7661 1 12 . 1 1 42 42 SER HA H 42 4.187 4.187 4.334 -0.147 19876 7662 1 12 . 1 1 42 42 SER C C 42 172.750 172.750 175.732 -2.982 19876 7663 1 12 . 1 1 42 42 SER CA C 42 58.320 58.320 58.174 0.146 19876 7664 1 12 . 1 1 42 42 SER CB C 42 64.569 64.569 65.195 -0.626 19876 7665 1 12 . 1 1 42 42 SER H H 42 7.705 7.705 7.766 -0.061 19876 7666 1 12 . 1 1 43 43 ALA N N 43 124.591 124.591 128.187 -3.596 19876 7667 1 12 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.978 -0.018 19876 7668 1 12 . 1 1 43 43 ALA C C 43 178.795 178.795 179.151 -0.356 19876 7669 1 12 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.329 -0.193 19876 7670 1 12 . 1 1 43 43 ALA CB C 43 18.144 18.144 17.949 0.195 19876 7671 1 12 . 1 1 43 43 ALA H H 43 8.540 8.540 8.818 -0.278 19876 7672 1 12 . 1 1 44 44 VAL N N 44 115.734 115.734 115.415 0.319 19876 7673 1 12 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.436 0.283 19876 7674 1 12 . 1 1 44 44 VAL C C 44 176.057 176.057 177.736 -1.679 19876 7675 1 12 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.663 -0.961 19876 7676 1 12 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.906 0.829 19876 7677 1 12 . 1 1 44 44 VAL H H 44 7.836 7.836 8.020 -0.184 19876 7678 1 12 . 1 1 45 45 ASN N N 45 123.038 123.038 118.678 4.360 19876 7679 1 12 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.043 0.001 19876 7680 1 12 . 1 1 45 45 ASN C C 45 176.022 176.022 177.855 -1.833 19876 7681 1 12 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.151 0.684 19876 7682 1 12 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.341 -0.620 19876 7683 1 12 . 1 1 45 45 ASN H H 45 7.709 7.709 7.434 0.275 19876 7684 1 12 . 1 1 46 46 LEU N N 46 122.005 122.005 121.041 0.964 19876 7685 1 12 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.796 0.130 19876 7686 1 12 . 1 1 46 46 LEU C C 46 178.192 178.192 179.149 -0.957 19876 7687 1 12 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.345 -0.302 19876 7688 1 12 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.548 -0.718 19876 7689 1 12 . 1 1 46 46 LEU H H 46 8.239 8.239 8.618 -0.379 19876 7690 1 12 . 1 1 47 47 GLN N N 47 119.394 119.394 118.572 0.822 19876 7691 1 12 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.897 0.074 19876 7692 1 12 . 1 1 47 47 GLN C C 47 177.762 177.762 178.738 -0.976 19876 7693 1 12 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.398 -0.707 19876 7694 1 12 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.733 -0.606 19876 7695 1 12 . 1 1 47 47 GLN H H 47 7.825 7.825 8.499 -0.674 19876 7696 1 12 . 1 1 48 48 LEU N N 48 122.808 122.808 119.887 2.921 19876 7697 1 12 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.770 -0.027 19876 7698 1 12 . 1 1 48 48 LEU C C 48 177.366 177.366 178.730 -1.364 19876 7699 1 12 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.667 -0.393 19876 7700 1 12 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.879 0.580 19876 7701 1 12 . 1 1 48 48 LEU H H 48 7.625 7.625 8.759 -1.134 19876 7702 1 12 . 1 1 49 49 ASN N N 49 117.784 117.784 118.233 -0.449 19876 7703 1 12 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.277 0.009 19876 7704 1 12 . 1 1 49 49 ASN C C 49 176.893 176.893 177.199 -0.306 19876 7705 1 12 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.506 -1.370 19876 7706 1 12 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.395 -0.785 19876 7707 1 12 . 1 1 49 49 ASN H H 49 7.797 7.797 8.418 -0.621 19876 7708 1 12 . 1 1 50 50 ASP N N 50 120.887 120.887 121.403 -0.516 19876 7709 1 12 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.416 -0.112 19876 7710 1 12 . 1 1 50 50 ASP C C 50 177.452 177.452 178.545 -1.093 19876 7711 1 12 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.405 -0.018 19876 7712 1 12 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.993 -0.403 19876 7713 1 12 . 1 1 50 50 ASP H H 50 7.868 7.868 8.281 -0.413 19876 7714 1 12 . 1 1 51 51 LEU N N 51 123.117 123.117 121.342 1.775 19876 7715 1 12 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.960 0.198 19876 7716 1 12 . 1 1 51 51 LEU C C 51 177.345 177.345 179.385 -2.040 19876 7717 1 12 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.030 -1.066 19876 7718 1 12 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.023 -1.022 19876 7719 1 12 . 1 1 51 51 LEU H H 51 7.627 7.627 8.526 -0.899 19876 7720 1 12 . 1 1 52 52 ILE N N 52 120.007 120.007 118.665 1.342 19876 7721 1 12 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.523 -0.156 19876 7722 1 12 . 1 1 52 52 ILE C C 52 176.246 176.246 178.084 -1.838 19876 7723 1 12 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.016 1.004 19876 7724 1 12 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.546 0.636 19876 7725 1 12 . 1 1 52 52 ILE H H 52 8.309 8.309 8.779 -0.470 19876 7726 1 12 . 1 1 53 53 GLU N N 53 117.619 117.619 118.671 -1.052 19876 7727 1 12 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.925 0.006 19876 7728 1 12 . 1 1 53 53 GLU C C 53 178.193 178.193 178.824 -0.631 19876 7729 1 12 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.985 -0.532 19876 7730 1 12 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.536 -0.188 19876 7731 1 12 . 1 1 53 53 GLU H H 53 7.965 7.965 8.034 -0.069 19876 7732 1 12 . 1 1 54 54 HIS N N 54 120.335 120.335 120.211 0.124 19876 7733 1 12 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.232 0.080 19876 7734 1 12 . 1 1 54 54 HIS C C 54 177.331 177.331 177.972 -0.641 19876 7735 1 12 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.121 0.441 19876 7736 1 12 . 1 1 54 54 HIS CB C 54 30.197 30.197 30.172 0.025 19876 7737 1 12 . 1 1 54 54 HIS H H 54 8.117 8.117 8.892 -0.775 19876 7738 1 12 . 1 1 55 55 ILE N N 55 120.694 120.694 119.108 1.586 19876 7739 1 12 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.690 -0.251 19876 7740 1 12 . 1 1 55 55 ILE C C 55 176.281 176.281 177.676 -1.395 19876 7741 1 12 . 1 1 55 55 ILE CA C 55 65.951 65.951 64.847 1.104 19876 7742 1 12 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.828 -0.799 19876 7743 1 12 . 1 1 55 55 ILE H H 55 8.655 8.655 8.645 0.010 19876 7744 1 12 . 1 1 56 56 ALA N N 56 123.896 123.896 124.450 -0.554 19876 7745 1 12 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.906 -0.145 19876 7746 1 12 . 1 1 56 56 ALA C C 56 179.581 179.581 179.479 0.102 19876 7747 1 12 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.721 -0.109 19876 7748 1 12 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.041 -0.392 19876 7749 1 12 . 1 1 56 56 ALA H H 56 9.063 9.063 8.893 0.170 19876 7750 1 12 . 1 1 57 57 SER N N 57 114.014 114.014 115.776 -1.762 19876 7751 1 12 . 1 1 57 57 SER HA H 57 4.165 4.165 4.246 -0.081 19876 7752 1 12 . 1 1 57 57 SER C C 57 175.540 175.540 176.717 -1.177 19876 7753 1 12 . 1 1 57 57 SER CA C 57 61.491 61.491 61.791 -0.300 19876 7754 1 12 . 1 1 57 57 SER CB C 57 62.640 62.640 63.172 -0.532 19876 7755 1 12 . 1 1 57 57 SER H H 57 7.918 7.918 8.896 -0.978 19876 7756 1 12 . 1 1 58 58 PHE N N 58 125.013 125.013 124.094 0.919 19876 7757 1 12 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.320 -0.302 19876 7758 1 12 . 1 1 58 58 PHE C C 58 177.343 177.343 176.905 0.438 19876 7759 1 12 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.366 1.310 19876 7760 1 12 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.782 0.402 19876 7761 1 12 . 1 1 58 58 PHE H H 58 8.024 8.024 8.022 0.002 19876 7762 1 12 . 1 1 59 59 VAL N N 59 120.373 120.373 120.829 -0.456 19876 7763 1 12 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.245 0.412 19876 7764 1 12 . 1 1 59 59 VAL C C 59 175.403 175.403 178.148 -2.745 19876 7765 1 12 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.226 -1.124 19876 7766 1 12 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.531 -0.093 19876 7767 1 12 . 1 1 59 59 VAL H H 59 9.263 9.263 8.941 0.322 19876 7768 1 12 . 1 1 60 60 MET N N 60 120.360 120.360 119.190 1.170 19876 7769 1 12 . 1 1 60 60 MET HA H 60 4.002 4.002 3.886 0.116 19876 7770 1 12 . 1 1 60 60 MET C C 60 177.417 177.417 178.606 -1.189 19876 7771 1 12 . 1 1 60 60 MET CA C 60 59.396 59.396 59.797 -0.401 19876 7772 1 12 . 1 1 60 60 MET CB C 60 31.986 31.986 32.587 -0.601 19876 7773 1 12 . 1 1 60 60 MET H H 60 7.826 7.826 8.977 -1.151 19876 7774 1 12 . 1 1 61 61 SER N N 61 113.289 113.289 114.645 -1.356 19876 7775 1 12 . 1 1 61 61 SER HA H 61 4.035 4.035 4.196 -0.161 19876 7776 1 12 . 1 1 61 61 SER CA C 61 61.619 61.619 61.267 0.352 19876 7777 1 12 . 1 1 61 61 SER CB C 61 62.600 62.600 62.732 -0.132 19876 7778 1 12 . 1 1 61 61 SER H H 61 7.230 7.230 8.022 -0.792 19876 7779 1 12 . 1 1 62 62 PHE N N 62 126.395 126.395 124.198 2.197 19876 7780 1 12 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.684 -0.043 19876 7781 1 12 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.272 -0.328 19876 7782 1 12 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.628 1.834 19876 7783 1 12 . 1 1 62 62 PHE H H 62 8.681 8.681 8.871 -0.190 19876 7784 1 12 . 1 1 63 63 LYS N N 63 116.676 116.676 117.453 -0.777 19876 7785 1 12 . 1 1 63 63 LYS HA H 63 4.032 4.032 3.973 0.059 19876 7786 1 12 . 1 1 63 63 LYS C C 63 177.262 177.262 178.811 -1.549 19876 7787 1 12 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.337 -0.649 19876 7788 1 12 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.126 0.723 19876 7789 1 12 . 1 1 63 63 LYS H H 63 8.585 8.585 8.749 -0.164 19876 7790 1 12 . 1 1 64 64 ILE N N 64 117.020 117.020 117.903 -0.883 19876 7791 1 12 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.767 -0.244 19876 7792 1 12 . 1 1 64 64 ILE C C 64 176.151 176.151 177.972 -1.821 19876 7793 1 12 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.874 -0.881 19876 7794 1 12 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.732 0.445 19876 7795 1 12 . 1 1 64 64 ILE H H 64 6.751 6.751 7.352 -0.601 19876 7796 1 12 . 1 1 65 65 LYS N N 65 120.165 120.165 119.276 0.889 19876 7797 1 12 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.936 -0.497 19876 7798 1 12 . 1 1 65 65 LYS C C 65 175.133 175.133 177.303 -2.170 19876 7799 1 12 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.072 0.883 19876 7800 1 12 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.544 0.413 19876 7801 1 12 . 1 1 65 65 LYS H H 65 7.058 7.058 7.917 -0.859 19876 7802 1 12 . 1 1 66 66 TYR N N 66 115.421 115.421 120.025 -4.604 19876 7803 1 12 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.799 0.089 19876 7804 1 12 . 1 1 66 66 TYR C C 66 173.061 173.061 174.996 -1.935 19876 7805 1 12 . 1 1 66 66 TYR CA C 66 54.529 54.529 53.895 0.634 19876 7806 1 12 . 1 1 66 66 TYR CB C 66 36.669 36.669 37.411 -0.742 19876 7807 1 12 . 1 1 66 66 TYR H H 66 7.784 7.784 8.145 -0.361 19876 7808 1 12 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.399 -0.042 19876 7809 1 12 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.632 -0.122 19876 7810 1 12 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.221 -0.316 19876 7811 1 12 . 1 1 68 68 ASP N N 68 117.110 117.110 116.909 0.201 19876 7812 1 12 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.544 0.183 19876 7813 1 12 . 1 1 68 68 ASP C C 68 175.024 175.024 176.256 -1.232 19876 7814 1 12 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.311 -0.568 19876 7815 1 12 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.778 -0.284 19876 7816 1 12 . 1 1 68 68 ASP H H 68 8.548 8.548 8.637 -0.089 19876 7817 1 12 . 1 1 69 69 ASP N N 69 122.994 122.994 118.878 4.116 19876 7818 1 12 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.473 0.518 19876 7819 1 12 . 1 1 69 69 ASP C C 69 174.782 174.782 177.747 -2.965 19876 7820 1 12 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.782 0.533 19876 7821 1 12 . 1 1 69 69 ASP CB C 69 40.163 40.163 41.092 -0.929 19876 7822 1 12 . 1 1 69 69 ASP H H 69 7.545 7.545 7.596 -0.051 19876 7823 1 12 . 1 1 70 70 GLY N N 70 107.712 107.712 109.005 -1.293 19876 7824 1 12 . 1 1 70 70 GLY C C 70 173.987 173.987 175.638 -1.651 19876 7825 1 12 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.466 -0.134 19876 7826 1 12 . 1 1 70 70 GLY H H 70 7.879 7.879 7.838 0.041 19876 7827 1 12 . 1 1 71 71 ASP N N 71 119.785 119.785 122.146 -2.361 19876 7828 1 12 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.447 -0.252 19876 7829 1 12 . 1 1 71 71 ASP C C 71 177.114 177.114 178.397 -1.283 19876 7830 1 12 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.166 -0.114 19876 7831 1 12 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.274 -0.929 19876 7832 1 12 . 1 1 71 71 ASP H H 71 8.447 8.447 7.924 0.523 19876 7833 1 12 . 1 1 72 72 LEU N N 72 119.776 119.776 121.298 -1.522 19876 7834 1 12 . 1 1 72 72 LEU HA H 72 3.867 3.867 4.000 -0.133 19876 7835 1 12 . 1 1 72 72 LEU C C 72 176.531 176.531 178.236 -1.705 19876 7836 1 12 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.123 -0.671 19876 7837 1 12 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.910 -0.175 19876 7838 1 12 . 1 1 72 72 LEU H H 72 7.562 7.562 7.762 -0.200 19876 7839 1 12 . 1 1 73 73 SER N N 73 113.964 113.964 115.053 -1.089 19876 7840 1 12 . 1 1 73 73 SER HA H 73 3.605 3.605 4.034 -0.429 19876 7841 1 12 . 1 1 73 73 SER C C 73 174.610 174.610 176.583 -1.973 19876 7842 1 12 . 1 1 73 73 SER CA C 73 62.161 62.161 62.412 -0.251 19876 7843 1 12 . 1 1 73 73 SER CB C 73 62.158 62.158 62.661 -0.503 19876 7844 1 12 . 1 1 73 73 SER H H 73 8.050 8.050 8.307 -0.257 19876 7845 1 12 . 1 1 74 74 GLU N N 74 119.742 119.742 121.939 -2.197 19876 7846 1 12 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.011 0.060 19876 7847 1 12 . 1 1 74 74 GLU C C 74 178.089 178.089 178.634 -0.545 19876 7848 1 12 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.225 -0.123 19876 7849 1 12 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.346 -0.133 19876 7850 1 12 . 1 1 74 74 GLU H H 74 8.623 8.623 8.355 0.268 19876 7851 1 12 . 1 1 75 75 LEU N N 75 122.325 122.325 122.539 -0.214 19876 7852 1 12 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.236 0.007 19876 7853 1 12 . 1 1 75 75 LEU C C 75 177.962 177.962 179.090 -1.128 19876 7854 1 12 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.383 -0.003 19876 7855 1 12 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.171 0.233 19876 7856 1 12 . 1 1 75 75 LEU H H 75 7.255 7.255 8.010 -0.755 19876 7857 1 12 . 1 1 76 76 VAL N N 76 119.514 119.514 119.447 0.067 19876 7858 1 12 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.687 -0.100 19876 7859 1 12 . 1 1 76 76 VAL C C 76 176.909 176.909 178.630 -1.721 19876 7860 1 12 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.062 0.198 19876 7861 1 12 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.556 0.387 19876 7862 1 12 . 1 1 76 76 VAL H H 76 8.235 8.235 8.954 -0.719 19876 7863 1 12 . 1 1 77 77 GLU N N 77 118.692 118.692 120.001 -1.309 19876 7864 1 12 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.907 -0.168 19876 7865 1 12 . 1 1 77 77 GLU C C 77 177.692 177.692 179.225 -1.533 19876 7866 1 12 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.316 0.691 19876 7867 1 12 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.339 -0.182 19876 7868 1 12 . 1 1 77 77 GLU H H 77 8.204 8.204 8.707 -0.503 19876 7869 1 12 . 1 1 78 78 GLU N N 78 121.945 121.945 120.292 1.653 19876 7870 1 12 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.042 -0.014 19876 7871 1 12 . 1 1 78 78 GLU C C 78 176.559 176.559 178.981 -2.422 19876 7872 1 12 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.775 -0.201 19876 7873 1 12 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.720 0.165 19876 7874 1 12 . 1 1 78 78 GLU H H 78 8.058 8.058 8.665 -0.607 19876 7875 1 12 . 1 1 79 79 TYR N N 79 119.945 119.945 121.851 -1.906 19876 7876 1 12 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.559 -0.159 19876 7877 1 12 . 1 1 79 79 TYR C C 79 178.365 178.365 178.272 0.093 19876 7878 1 12 . 1 1 79 79 TYR CA C 79 60.101 60.101 59.730 0.372 19876 7879 1 12 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.288 0.350 19876 7880 1 12 . 1 1 79 79 TYR H H 79 8.347 8.347 8.777 -0.430 19876 7881 1 12 . 1 1 80 80 LEU N N 80 123.586 123.586 120.414 3.172 19876 7882 1 12 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.826 -0.177 19876 7883 1 12 . 1 1 80 80 LEU C C 80 177.594 177.594 179.211 -1.617 19876 7884 1 12 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.334 0.345 19876 7885 1 12 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.419 -0.777 19876 7886 1 12 . 1 1 80 80 LEU H H 80 9.113 9.113 8.859 0.254 19876 7887 1 12 . 1 1 81 81 ASP N N 81 121.522 121.522 119.466 2.056 19876 7888 1 12 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.265 0.141 19876 7889 1 12 . 1 1 81 81 ASP C C 81 178.021 178.021 178.344 -0.323 19876 7890 1 12 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.371 -0.682 19876 7891 1 12 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.779 -0.137 19876 7892 1 12 . 1 1 81 81 ASP H H 81 8.228 8.228 8.860 -0.632 19876 7893 1 12 . 1 1 82 82 ASP N N 82 120.931 120.931 119.586 1.345 19876 7894 1 12 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.446 -0.024 19876 7895 1 12 . 1 1 82 82 ASP C C 82 178.342 178.342 178.993 -0.651 19876 7896 1 12 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.835 0.072 19876 7897 1 12 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.516 0.317 19876 7898 1 12 . 1 1 82 82 ASP H H 82 9.139 9.139 8.761 0.378 19876 7899 1 12 . 1 1 83 83 THR N N 83 118.686 118.686 117.583 1.103 19876 7900 1 12 . 1 1 83 83 THR HA H 83 3.415 3.415 3.699 -0.284 19876 7901 1 12 . 1 1 83 83 THR C C 83 173.663 173.663 176.616 -2.953 19876 7902 1 12 . 1 1 83 83 THR CA C 83 67.258 67.258 66.834 0.424 19876 7903 1 12 . 1 1 83 83 THR CB C 83 68.017 68.017 68.913 -0.896 19876 7904 1 12 . 1 1 83 83 THR H H 83 8.394 8.394 8.681 -0.287 19876 7905 1 12 . 1 1 84 84 TYR N N 84 122.004 122.004 123.393 -1.389 19876 7906 1 12 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.099 -0.356 19876 7907 1 12 . 1 1 84 84 TYR C C 84 177.983 177.983 177.888 0.095 19876 7908 1 12 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.231 -0.124 19876 7909 1 12 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.389 0.062 19876 7910 1 12 . 1 1 84 84 TYR H H 84 8.561 8.561 9.102 -0.541 19876 7911 1 12 . 1 1 85 85 THR N N 85 116.249 116.249 115.726 0.523 19876 7912 1 12 . 1 1 85 85 THR HA H 85 3.409 3.409 4.031 -0.622 19876 7913 1 12 . 1 1 85 85 THR C C 85 174.628 174.628 176.067 -1.439 19876 7914 1 12 . 1 1 85 85 THR CA C 85 66.483 66.483 66.665 -0.182 19876 7915 1 12 . 1 1 85 85 THR CB C 85 68.604 68.604 68.843 -0.239 19876 7916 1 12 . 1 1 85 85 THR H H 85 8.749 8.749 8.827 -0.078 19876 7917 1 12 . 1 1 86 86 LEU N N 86 121.835 121.835 120.770 1.065 19876 7918 1 12 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.823 -0.268 19876 7919 1 12 . 1 1 86 86 LEU C C 86 176.057 176.057 178.910 -2.853 19876 7920 1 12 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.431 0.575 19876 7921 1 12 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.723 1.050 19876 7922 1 12 . 1 1 86 86 LEU H H 86 7.257 7.257 8.412 -1.155 19876 7923 1 12 . 1 1 87 87 PHE N N 87 111.264 111.264 116.323 -5.059 19876 7924 1 12 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.113 -0.136 19876 7925 1 12 . 1 1 87 87 PHE C C 87 174.687 174.687 177.759 -3.072 19876 7926 1 12 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.750 -0.010 19876 7927 1 12 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.914 0.517 19876 7928 1 12 . 1 1 87 87 PHE H H 87 7.168 7.168 8.203 -1.035 19876 7929 1 12 . 1 1 88 88 SER N N 88 112.848 112.848 113.496 -0.648 19876 7930 1 12 . 1 1 88 88 SER HA H 88 4.207 4.207 4.158 0.049 19876 7931 1 12 . 1 1 88 88 SER C C 88 172.760 172.760 174.244 -1.484 19876 7932 1 12 . 1 1 88 88 SER CA C 88 58.725 58.725 60.080 -1.355 19876 7933 1 12 . 1 1 88 88 SER CB C 88 63.342 63.342 63.520 -0.178 19876 7934 1 12 . 1 1 88 88 SER H H 88 7.290 7.290 7.926 -0.636 19876 7935 1 12 . 1 1 89 89 SER N N 89 116.554 116.554 118.195 -1.641 19876 7936 1 12 . 1 1 89 89 SER HA H 89 4.347 4.347 4.588 -0.241 19876 7937 1 12 . 1 1 89 89 SER C C 89 172.251 172.251 173.905 -1.654 19876 7938 1 12 . 1 1 89 89 SER CA C 89 57.597 57.597 57.377 0.220 19876 7939 1 12 . 1 1 89 89 SER CB C 89 64.426 64.426 63.199 1.227 19876 7940 1 12 . 1 1 89 89 SER H H 89 7.064 7.064 7.666 -0.602 19876 7941 1 12 . 1 1 90 90 TYR N N 90 122.348 122.348 125.675 -3.327 19876 7942 1 12 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.398 -0.055 19876 7943 1 12 . 1 1 90 90 TYR C C 90 175.043 175.043 177.307 -2.264 19876 7944 1 12 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.573 -2.601 19876 7945 1 12 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.872 -1.246 19876 7946 1 12 . 1 1 90 90 TYR H H 90 8.446 8.446 8.103 0.343 19876 7947 1 12 . 1 1 91 91 GLY N N 91 111.349 111.349 103.415 7.934 19876 7948 1 12 . 1 1 91 91 GLY C C 91 170.874 170.874 173.378 -2.504 19876 7949 1 12 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.670 1.064 19876 7950 1 12 . 1 1 91 91 GLY H H 91 7.820 7.820 8.154 -0.334 19876 7951 1 12 . 1 1 92 92 ILE N N 92 121.703 121.703 123.239 -1.536 19876 7952 1 12 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.863 0.015 19876 7953 1 12 . 1 1 92 92 ILE C C 92 173.956 173.956 175.626 -1.670 19876 7954 1 12 . 1 1 92 92 ILE CA C 92 60.127 60.127 61.200 -1.073 19876 7955 1 12 . 1 1 92 92 ILE CB C 92 38.442 38.442 35.942 2.500 19876 7956 1 12 . 1 1 92 92 ILE H H 92 8.032 8.032 8.290 -0.258 19876 7957 1 12 . 1 1 93 93 ASN N N 93 125.791 125.791 124.822 0.969 19876 7958 1 12 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.826 0.088 19876 7959 1 12 . 1 1 93 93 ASN C C 93 173.468 173.468 173.704 -0.236 19876 7960 1 12 . 1 1 93 93 ASN CA C 93 51.442 51.442 51.688 -0.246 19876 7961 1 12 . 1 1 93 93 ASN CB C 93 40.147 40.147 41.291 -1.144 19876 7962 1 12 . 1 1 93 93 ASN H H 93 8.423 8.423 8.110 0.313 19876 7963 1 12 . 1 1 94 94 ASP N N 94 122.019 122.019 118.506 3.513 19876 7964 1 12 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.414 0.077 19876 7965 1 12 . 1 1 94 94 ASP CA C 94 59.118 59.118 55.517 3.601 19876 7966 1 12 . 1 1 94 94 ASP CB C 94 39.288 39.288 40.477 -1.189 19876 7967 1 12 . 1 1 94 94 ASP H H 94 8.710 8.710 8.619 0.091 19876 7968 1 12 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.190 -0.036 19876 7969 1 12 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.412 1.142 19876 7970 1 12 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.867 -1.118 19876 7971 1 12 . 1 1 96 96 GLU N N 96 117.965 117.965 118.256 -0.291 19876 7972 1 12 . 1 1 96 96 GLU HA H 96 3.861 3.861 3.975 -0.114 19876 7973 1 12 . 1 1 96 96 GLU C C 96 177.730 177.730 178.720 -0.990 19876 7974 1 12 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.277 -0.395 19876 7975 1 12 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.824 0.014 19876 7976 1 12 . 1 1 96 96 GLU H H 96 7.954 7.954 8.437 -0.483 19876 7977 1 12 . 1 1 97 97 LEU N N 97 124.427 124.427 119.247 5.180 19876 7978 1 12 . 1 1 97 97 LEU HA H 97 4.109 4.109 4.084 0.025 19876 7979 1 12 . 1 1 97 97 LEU C C 97 177.211 177.211 178.558 -1.347 19876 7980 1 12 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.168 -0.117 19876 7981 1 12 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.823 -0.052 19876 7982 1 12 . 1 1 97 97 LEU H H 97 7.825 7.825 7.609 0.216 19876 7983 1 12 . 1 1 98 98 GLN N N 98 117.195 117.195 118.084 -0.889 19876 7984 1 12 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.019 -0.029 19876 7985 1 12 . 1 1 98 98 GLN C C 98 177.762 177.762 178.791 -1.029 19876 7986 1 12 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.531 0.092 19876 7987 1 12 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.921 0.080 19876 7988 1 12 . 1 1 98 98 GLN H H 98 8.481 8.481 7.735 0.746 19876 7989 1 12 . 1 1 99 99 ARG N N 99 119.687 119.687 120.471 -0.784 19876 7990 1 12 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.056 -0.134 19876 7991 1 12 . 1 1 99 99 ARG C C 99 176.055 176.055 178.560 -2.505 19876 7992 1 12 . 1 1 99 99 ARG CA C 99 59.613 59.613 60.324 -0.711 19876 7993 1 12 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.027 0.295 19876 7994 1 12 . 1 1 99 99 ARG H H 99 7.836 7.836 8.826 -0.990 19876 7995 1 12 . 1 1 100 100 TRP N N 100 119.762 119.762 121.623 -1.861 19876 7996 1 12 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.705 -0.476 19876 7997 1 12 . 1 1 100 100 TRP C C 100 176.004 176.004 179.237 -3.233 19876 7998 1 12 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.757 0.248 19876 7999 1 12 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.109 -0.161 19876 8000 1 12 . 1 1 100 100 TRP H H 100 7.731 7.731 8.027 -0.296 19876 8001 1 12 . 1 1 101 101 GLN N N 101 115.464 115.464 116.994 -1.530 19876 8002 1 12 . 1 1 101 101 GLN HA H 101 3.485 3.485 4.093 -0.608 19876 8003 1 12 . 1 1 101 101 GLN C C 101 177.498 177.498 178.959 -1.461 19876 8004 1 12 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.172 -0.008 19876 8005 1 12 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.477 -0.395 19876 8006 1 12 . 1 1 101 101 GLN H H 101 8.277 8.277 8.338 -0.061 19876 8007 1 12 . 1 1 102 102 LYS N N 102 119.856 119.856 119.810 0.046 19876 8008 1 12 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.021 -0.109 19876 8009 1 12 . 1 1 102 102 LYS C C 102 178.364 178.364 179.256 -0.892 19876 8010 1 12 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.553 -0.374 19876 8011 1 12 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.401 -0.576 19876 8012 1 12 . 1 1 102 102 LYS H H 102 8.047 8.047 8.334 -0.287 19876 8013 1 12 . 1 1 103 103 THR N N 103 121.217 121.217 115.990 5.227 19876 8014 1 12 . 1 1 103 103 THR HA H 103 3.658 3.658 3.923 -0.265 19876 8015 1 12 . 1 1 103 103 THR C C 103 174.266 174.266 176.294 -2.028 19876 8016 1 12 . 1 1 103 103 THR CA C 103 66.206 66.206 66.580 -0.374 19876 8017 1 12 . 1 1 103 103 THR CB C 103 67.515 67.515 68.515 -1.000 19876 8018 1 12 . 1 1 103 103 THR H H 103 8.816 8.816 8.756 0.060 19876 8019 1 12 . 1 1 104 104 LYS N N 104 122.265 122.265 121.035 1.230 19876 8020 1 12 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.262 -0.211 19876 8021 1 12 . 1 1 104 104 LYS C C 104 176.952 176.952 178.333 -1.381 19876 8022 1 12 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.908 1.612 19876 8023 1 12 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.660 -0.320 19876 8024 1 12 . 1 1 104 104 LYS H H 104 8.258 8.258 7.569 0.689 19876 8025 1 12 . 1 1 105 105 GLU N N 105 118.912 118.912 119.077 -0.165 19876 8026 1 12 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.638 -0.040 19876 8027 1 12 . 1 1 105 105 GLU C C 105 178.038 178.038 179.073 -1.035 19876 8028 1 12 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.314 0.204 19876 8029 1 12 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.989 0.043 19876 8030 1 12 . 1 1 105 105 GLU H H 105 7.963 7.963 7.387 0.576 19876 8031 1 12 . 1 1 106 106 ARG N N 106 120.201 120.201 120.012 0.189 19876 8032 1 12 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.990 -0.294 19876 8033 1 12 . 1 1 106 106 ARG C C 106 177.744 177.744 178.817 -1.073 19876 8034 1 12 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.141 0.853 19876 8035 1 12 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.088 0.700 19876 8036 1 12 . 1 1 106 106 ARG H H 106 7.940 7.940 8.355 -0.415 19876 8037 1 12 . 1 1 107 107 LEU N N 107 120.982 120.982 120.511 0.471 19876 8038 1 12 . 1 1 107 107 LEU HA H 107 3.745 3.745 4.007 -0.262 19876 8039 1 12 . 1 1 107 107 LEU C C 107 176.173 176.173 178.698 -2.525 19876 8040 1 12 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.371 -0.934 19876 8041 1 12 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.995 -1.127 19876 8042 1 12 . 1 1 107 107 LEU H H 107 8.242 8.242 8.485 -0.243 19876 8043 1 12 . 1 1 108 108 PHE N N 108 117.793 117.793 116.697 1.096 19876 8044 1 12 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.236 -0.234 19876 8045 1 12 . 1 1 108 108 PHE C C 108 177.654 177.654 177.550 0.104 19876 8046 1 12 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.245 -0.056 19876 8047 1 12 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.081 -1.296 19876 8048 1 12 . 1 1 108 108 PHE H H 108 8.772 8.772 8.852 -0.080 19876 8049 1 12 . 1 1 109 109 ARG N N 109 121.726 121.726 118.988 2.738 19876 8050 1 12 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.025 -0.019 19876 8051 1 12 . 1 1 109 109 ARG C C 109 177.785 177.785 177.888 -0.103 19876 8052 1 12 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.326 1.016 19876 8053 1 12 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.539 0.259 19876 8054 1 12 . 1 1 109 109 ARG H H 109 7.865 7.865 7.838 0.027 19876 8055 1 12 . 1 1 110 110 LEU N N 110 121.486 121.486 118.462 3.024 19876 8056 1 12 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.943 0.151 19876 8057 1 12 . 1 1 110 110 LEU C C 110 178.537 178.537 178.692 -0.155 19876 8058 1 12 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.878 -0.037 19876 8059 1 12 . 1 1 110 110 LEU CB C 110 40.821 40.821 42.055 -1.234 19876 8060 1 12 . 1 1 110 110 LEU H H 110 7.338 7.338 7.639 -0.301 19876 8061 1 12 . 1 1 111 111 PHE N N 111 115.883 115.883 116.970 -1.087 19876 8062 1 12 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.091 0.225 19876 8063 1 12 . 1 1 111 111 PHE C C 111 175.369 175.369 177.566 -2.197 19876 8064 1 12 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.025 -1.946 19876 8065 1 12 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.571 -0.060 19876 8066 1 12 . 1 1 111 111 PHE H H 111 7.584 7.584 7.814 -0.230 19876 8067 1 12 . 1 1 112 112 SER N N 112 111.693 111.693 113.245 -1.552 19876 8068 1 12 . 1 1 112 112 SER HA H 112 4.329 4.329 4.365 -0.036 19876 8069 1 12 . 1 1 112 112 SER C C 112 173.353 173.353 174.677 -1.324 19876 8070 1 12 . 1 1 112 112 SER CA C 112 59.050 59.050 59.202 -0.152 19876 8071 1 12 . 1 1 112 112 SER CB C 112 63.841 63.841 63.271 0.570 19876 8072 1 12 . 1 1 112 112 SER H H 112 7.554 7.554 8.227 -0.673 19876 8073 1 12 . 1 1 113 113 GLY N N 113 109.665 109.665 107.369 2.296 19876 8074 1 12 . 1 1 113 113 GLY C C 113 173.407 173.407 173.266 0.141 19876 8075 1 12 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.960 0.414 19876 8076 1 12 . 1 1 113 113 GLY H H 113 7.781 7.781 7.466 0.315 19876 8077 1 12 . 1 1 114 114 GLU N N 114 121.028 121.028 119.786 1.242 19876 8078 1 12 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.447 -0.445 19876 8079 1 12 . 1 1 114 114 GLU C C 114 175.971 175.971 176.142 -0.171 19876 8080 1 12 . 1 1 114 114 GLU CA C 114 58.310 58.310 53.648 4.662 19876 8081 1 12 . 1 1 114 114 GLU CB C 114 30.164 30.164 30.701 -0.537 19876 8082 1 12 . 1 1 114 114 GLU H H 114 8.414 8.414 7.876 0.538 19876 8083 1 12 . 1 1 115 115 TYR N N 115 118.828 118.828 118.146 0.682 19876 8084 1 12 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.286 0.026 19876 8085 1 12 . 1 1 115 115 TYR C C 115 175.248 175.248 178.191 -2.943 19876 8086 1 12 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.809 -0.075 19876 8087 1 12 . 1 1 115 115 TYR CB C 115 38.371 38.371 37.218 1.153 19876 8088 1 12 . 1 1 115 115 TYR H H 115 7.939 7.939 7.492 0.447 19876 8089 1 12 . 1 1 116 116 ILE N N 116 120.412 120.412 120.299 0.113 19876 8090 1 12 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.555 0.188 19876 8091 1 12 . 1 1 116 116 ILE C C 116 175.591 175.591 177.988 -2.397 19876 8092 1 12 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.350 -1.214 19876 8093 1 12 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.117 1.110 19876 8094 1 12 . 1 1 116 116 ILE H H 116 7.892 7.892 7.769 0.123 19876 8095 1 12 . 1 1 117 117 SER N N 117 117.142 117.142 116.064 1.078 19876 8096 1 12 . 1 1 117 117 SER HA H 117 4.141 4.141 4.120 0.021 19876 8097 1 12 . 1 1 117 117 SER C C 117 174.795 174.795 176.176 -1.381 19876 8098 1 12 . 1 1 117 117 SER CA C 117 60.437 60.437 61.196 -0.759 19876 8099 1 12 . 1 1 117 117 SER CB C 117 62.987 62.987 62.881 0.106 19876 8100 1 12 . 1 1 117 117 SER H H 117 8.127 8.127 8.345 -0.218 19876 8101 1 12 . 1 1 118 118 THR N N 118 115.779 115.779 115.789 -0.010 19876 8102 1 12 . 1 1 118 118 THR HA H 118 3.987 3.987 4.013 -0.026 19876 8103 1 12 . 1 1 118 118 THR C C 118 174.025 174.025 175.737 -1.712 19876 8104 1 12 . 1 1 118 118 THR CA C 118 64.026 64.026 64.715 -0.689 19876 8105 1 12 . 1 1 118 118 THR CB C 118 68.953 68.953 68.804 0.149 19876 8106 1 12 . 1 1 118 118 THR H H 118 7.872 7.872 7.257 0.615 19876 8107 1 12 . 1 1 119 119 LEU N N 119 122.845 122.845 121.697 1.148 19876 8108 1 12 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.802 0.246 19876 8109 1 12 . 1 1 119 119 LEU C C 119 176.246 176.246 176.861 -0.615 19876 8110 1 12 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.290 -1.209 19876 8111 1 12 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.267 -0.062 19876 8112 1 12 . 1 1 119 119 LEU H H 119 7.679 7.679 7.883 -0.204 19876 8113 1 12 . 1 1 120 120 MET N N 120 117.447 117.447 116.151 1.296 19876 8114 1 12 . 1 1 120 120 MET HA H 120 4.243 4.243 4.308 -0.065 19876 8115 1 12 . 1 1 120 120 MET C C 120 174.594 174.594 176.050 -1.456 19876 8116 1 12 . 1 1 120 120 MET CA C 120 55.470 55.470 55.949 -0.478 19876 8117 1 12 . 1 1 120 120 MET CB C 120 32.606 32.606 31.397 1.209 19876 8118 1 12 . 1 1 120 120 MET H H 120 7.812 7.812 7.985 -0.173 19876 8119 1 12 . 1 1 121 121 LYS N N 121 121.578 121.578 125.379 -3.801 19876 8120 1 12 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.104 0.131 19876 8121 1 12 . 1 1 121 121 LYS C C 121 174.539 174.539 177.153 -2.614 19876 8122 1 12 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.671 -2.190 19876 8123 1 12 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.757 0.209 19876 8124 1 12 . 1 1 121 121 LYS H H 121 7.790 7.790 8.177 -0.387 19876 8125 1 13 . 1 1 2 2 ASP N N 2 122.949 122.949 121.595 1.354 19876 8126 1 13 . 1 1 2 2 ASP HA H 2 4.444 4.444 5.013 -0.569 19876 8127 1 13 . 1 1 2 2 ASP C C 2 174.891 174.891 175.040 -0.149 19876 8128 1 13 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.062 -0.440 19876 8129 1 13 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.666 -1.347 19876 8130 1 13 . 1 1 2 2 ASP H H 2 8.386 8.386 8.363 0.023 19876 8131 1 13 . 1 1 3 3 GLU N N 3 119.296 119.296 121.805 -2.509 19876 8132 1 13 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.323 -0.459 19876 8133 1 13 . 1 1 3 3 GLU C C 3 175.006 175.006 176.274 -1.268 19876 8134 1 13 . 1 1 3 3 GLU CA C 3 58.073 58.073 56.581 1.492 19876 8135 1 13 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.819 -0.252 19876 8136 1 13 . 1 1 3 3 GLU H H 3 8.601 8.601 8.766 -0.165 19876 8137 1 13 . 1 1 4 4 TYR N N 4 118.038 118.038 120.710 -2.672 19876 8138 1 13 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.554 -0.101 19876 8139 1 13 . 1 1 4 4 TYR C C 4 174.761 174.761 175.416 -0.655 19876 8140 1 13 . 1 1 4 4 TYR CA C 4 57.574 57.574 58.216 -0.642 19876 8141 1 13 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.068 -0.073 19876 8142 1 13 . 1 1 4 4 TYR H H 4 8.049 8.049 7.932 0.117 19876 8143 1 13 . 1 1 5 5 SER N N 5 118.519 118.519 114.751 3.768 19876 8144 1 13 . 1 1 5 5 SER HA H 5 4.444 4.444 4.432 0.012 19876 8145 1 13 . 1 1 5 5 SER C C 5 171.907 171.907 172.022 -0.115 19876 8146 1 13 . 1 1 5 5 SER CA C 5 57.173 57.173 58.642 -1.469 19876 8147 1 13 . 1 1 5 5 SER CB C 5 62.104 62.104 62.699 -0.595 19876 8148 1 13 . 1 1 5 5 SER H H 5 7.759 7.759 8.036 -0.277 19876 8149 1 13 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.658 -0.214 19876 8150 1 13 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.346 1.250 19876 8151 1 13 . 1 1 6 6 PRO CB C 6 32.048 32.048 31.922 0.126 19876 8152 1 13 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.079 -0.291 19876 8153 1 13 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.331 -0.831 19876 8154 1 13 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.457 0.124 19876 8155 1 13 . 1 1 9 9 HIS N N 9 118.064 118.064 117.472 0.592 19876 8156 1 13 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.247 0.035 19876 8157 1 13 . 1 1 9 9 HIS C C 9 176.264 176.264 177.657 -1.393 19876 8158 1 13 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.677 -0.634 19876 8159 1 13 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.721 0.668 19876 8160 1 13 . 1 1 9 9 HIS H H 9 7.291 7.291 8.576 -1.285 19876 8161 1 13 . 1 1 10 10 ASP N N 10 122.089 122.089 120.181 1.908 19876 8162 1 13 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.852 -0.269 19876 8163 1 13 . 1 1 10 10 ASP C C 10 177.261 177.261 179.311 -2.050 19876 8164 1 13 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.142 -0.270 19876 8165 1 13 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.943 -0.374 19876 8166 1 13 . 1 1 10 10 ASP H H 10 8.221 8.221 8.835 -0.614 19876 8167 1 13 . 1 1 11 11 VAL N N 11 119.318 119.318 121.043 -1.725 19876 8168 1 13 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.008 -0.521 19876 8169 1 13 . 1 1 11 11 VAL C C 11 175.661 175.661 178.248 -2.587 19876 8170 1 13 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.643 0.236 19876 8171 1 13 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.090 0.336 19876 8172 1 13 . 1 1 11 11 VAL H H 11 8.850 8.850 8.644 0.206 19876 8173 1 13 . 1 1 12 12 ALA N N 12 121.749 121.749 122.361 -0.612 19876 8174 1 13 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.850 -0.081 19876 8175 1 13 . 1 1 12 12 ALA C C 12 179.484 179.484 179.537 -0.053 19876 8176 1 13 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.667 -0.399 19876 8177 1 13 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.180 -0.438 19876 8178 1 13 . 1 1 12 12 ALA H H 12 7.676 7.676 9.000 -1.324 19876 8179 1 13 . 1 1 13 13 GLN N N 13 119.544 119.544 118.927 0.617 19876 8180 1 13 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.916 0.091 19876 8181 1 13 . 1 1 13 13 GLN C C 13 176.075 176.075 178.481 -2.406 19876 8182 1 13 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.342 -1.110 19876 8183 1 13 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.430 -0.680 19876 8184 1 13 . 1 1 13 13 GLN H H 13 8.151 8.151 8.505 -0.354 19876 8185 1 13 . 1 1 14 14 LEU N N 14 121.127 121.127 120.921 0.206 19876 8186 1 13 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.246 -0.690 19876 8187 1 13 . 1 1 14 14 LEU C C 14 176.935 176.935 178.513 -1.578 19876 8188 1 13 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.801 -0.077 19876 8189 1 13 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.397 0.290 19876 8190 1 13 . 1 1 14 14 LEU H H 14 7.889 7.889 8.934 -1.045 19876 8191 1 13 . 1 1 15 15 LYS N N 15 120.458 120.458 119.518 0.940 19876 8192 1 13 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.913 -0.251 19876 8193 1 13 . 1 1 15 15 LYS C C 15 176.022 176.022 178.594 -2.572 19876 8194 1 13 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.525 0.513 19876 8195 1 13 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.824 0.387 19876 8196 1 13 . 1 1 15 15 LYS H H 15 8.174 8.174 8.302 -0.128 19876 8197 1 13 . 1 1 16 16 PHE N N 16 119.257 119.257 120.719 -1.462 19876 8198 1 13 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.125 0.062 19876 8199 1 13 . 1 1 16 16 PHE C C 16 177.917 177.917 177.845 0.072 19876 8200 1 13 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.266 -0.936 19876 8201 1 13 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.937 -0.443 19876 8202 1 13 . 1 1 16 16 PHE H H 16 7.855 7.855 8.687 -0.832 19876 8203 1 13 . 1 1 17 17 LEU N N 17 121.489 121.489 120.358 1.131 19876 8204 1 13 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.952 -0.354 19876 8205 1 13 . 1 1 17 17 LEU C C 17 177.988 177.988 179.246 -1.258 19876 8206 1 13 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.285 -0.323 19876 8207 1 13 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.512 1.186 19876 8208 1 13 . 1 1 17 17 LEU H H 17 8.560 8.560 8.869 -0.309 19876 8209 1 13 . 1 1 18 18 CYS N N 18 116.216 116.216 119.293 -3.077 19876 8210 1 13 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.284 -0.049 19876 8211 1 13 . 1 1 18 18 CYS C C 18 176.987 176.987 177.612 -0.625 19876 8212 1 13 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.056 2.518 19876 8213 1 13 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.900 0.404 19876 8214 1 13 . 1 1 18 18 CYS H H 18 8.194 8.194 8.449 -0.255 19876 8215 1 13 . 1 1 19 19 GLU N N 19 123.947 123.947 120.130 3.817 19876 8216 1 13 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.188 -0.303 19876 8217 1 13 . 1 1 19 19 GLU C C 19 176.436 176.436 179.003 -2.567 19876 8218 1 13 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.880 0.007 19876 8219 1 13 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.610 -0.330 19876 8220 1 13 . 1 1 19 19 GLU H H 19 8.842 8.842 8.632 0.210 19876 8221 1 13 . 1 1 20 20 SER N N 20 116.500 116.500 116.059 0.441 19876 8222 1 13 . 1 1 20 20 SER HA H 20 4.056 4.056 3.960 0.096 19876 8223 1 13 . 1 1 20 20 SER C C 20 174.835 174.835 176.676 -1.841 19876 8224 1 13 . 1 1 20 20 SER CA C 20 61.729 61.729 61.871 -0.142 19876 8225 1 13 . 1 1 20 20 SER CB C 20 62.360 62.360 62.700 -0.340 19876 8226 1 13 . 1 1 20 20 SER H H 20 8.198 8.198 8.447 -0.249 19876 8227 1 13 . 1 1 21 21 LEU N N 21 121.186 121.186 121.946 -0.760 19876 8228 1 13 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.105 -0.194 19876 8229 1 13 . 1 1 21 21 LEU C C 21 175.905 175.905 178.276 -2.371 19876 8230 1 13 . 1 1 21 21 LEU CA C 21 57.953 57.953 57.828 0.125 19876 8231 1 13 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.183 -0.574 19876 8232 1 13 . 1 1 21 21 LEU H H 21 7.970 7.970 8.389 -0.419 19876 8233 1 13 . 1 1 22 22 TYR N N 22 119.690 119.690 120.309 -0.619 19876 8234 1 13 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.215 0.103 19876 8235 1 13 . 1 1 22 22 TYR C C 22 175.453 175.453 177.586 -2.133 19876 8236 1 13 . 1 1 22 22 TYR CA C 22 62.240 62.240 59.934 2.306 19876 8237 1 13 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.608 -0.465 19876 8238 1 13 . 1 1 22 22 TYR H H 22 7.473 7.473 7.618 -0.145 19876 8239 1 13 . 1 1 23 23 ASP N N 23 118.291 118.291 118.743 -0.452 19876 8240 1 13 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.309 -0.262 19876 8241 1 13 . 1 1 23 23 ASP C C 23 178.796 178.796 178.605 0.191 19876 8242 1 13 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.082 -0.798 19876 8243 1 13 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.898 -1.016 19876 8244 1 13 . 1 1 23 23 ASP H H 23 8.249 8.249 7.911 0.338 19876 8245 1 13 . 1 1 24 24 GLU N N 24 120.605 120.605 119.300 1.305 19876 8246 1 13 . 1 1 24 24 GLU HA H 24 3.931 3.931 4.005 -0.074 19876 8247 1 13 . 1 1 24 24 GLU C C 24 178.457 178.457 179.320 -0.863 19876 8248 1 13 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.261 -0.700 19876 8249 1 13 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.423 -0.501 19876 8250 1 13 . 1 1 24 24 GLU H H 24 8.347 8.347 8.022 0.325 19876 8251 1 13 . 1 1 25 25 GLY N N 25 111.777 111.777 109.292 2.485 19876 8252 1 13 . 1 1 25 25 GLY C C 25 173.906 173.906 176.515 -2.609 19876 8253 1 13 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.524 -0.056 19876 8254 1 13 . 1 1 25 25 GLY H H 25 8.701 8.701 9.105 -0.404 19876 8255 1 13 . 1 1 26 26 ILE N N 26 122.263 122.263 123.059 -0.796 19876 8256 1 13 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.886 -0.129 19876 8257 1 13 . 1 1 26 26 ILE C C 26 178.116 178.116 178.748 -0.632 19876 8258 1 13 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.355 -1.124 19876 8259 1 13 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.855 -1.167 19876 8260 1 13 . 1 1 26 26 ILE H H 26 8.717 8.717 8.455 0.262 19876 8261 1 13 . 1 1 27 27 ALA N N 27 122.092 122.092 122.537 -0.445 19876 8262 1 13 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.049 -0.089 19876 8263 1 13 . 1 1 27 27 ALA C C 27 178.428 178.428 178.792 -0.364 19876 8264 1 13 . 1 1 27 27 ALA CA C 27 54.493 54.493 54.985 -0.492 19876 8265 1 13 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.670 -0.620 19876 8266 1 13 . 1 1 27 27 ALA H H 27 7.672 7.672 8.339 -0.667 19876 8267 1 13 . 1 1 28 28 THR N N 28 115.031 115.031 113.375 1.656 19876 8268 1 13 . 1 1 28 28 THR HA H 28 3.734 3.734 4.306 -0.572 19876 8269 1 13 . 1 1 28 28 THR C C 28 174.403 174.403 177.170 -2.767 19876 8270 1 13 . 1 1 28 28 THR CA C 28 65.750 65.750 65.219 0.531 19876 8271 1 13 . 1 1 28 28 THR CB C 28 68.530 68.530 69.359 -0.829 19876 8272 1 13 . 1 1 28 28 THR H H 28 7.554 7.554 7.867 -0.313 19876 8273 1 13 . 1 1 29 29 LEU N N 29 121.356 121.356 120.560 0.796 19876 8274 1 13 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.235 -0.425 19876 8275 1 13 . 1 1 29 29 LEU C C 29 176.694 176.694 178.506 -1.812 19876 8276 1 13 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.670 -0.176 19876 8277 1 13 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.676 0.503 19876 8278 1 13 . 1 1 29 29 LEU H H 29 7.580 7.580 8.864 -1.284 19876 8279 1 13 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.369 0.534 19876 8280 1 13 . 1 1 31 31 ASP N N 31 119.983 119.983 120.846 -0.863 19876 8281 1 13 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.639 -0.076 19876 8282 1 13 . 1 1 31 31 ASP C C 31 175.609 175.609 176.809 -1.200 19876 8283 1 13 . 1 1 31 31 ASP CA C 31 53.883 53.883 55.095 -1.212 19876 8284 1 13 . 1 1 31 31 ASP CB C 31 41.558 41.558 42.227 -0.669 19876 8285 1 13 . 1 1 31 31 ASP H H 31 8.017 8.017 7.495 0.522 19876 8286 1 13 . 1 1 32 32 SER N N 32 118.027 118.027 113.566 4.461 19876 8287 1 13 . 1 1 32 32 SER HA H 32 4.191 4.191 4.533 -0.342 19876 8288 1 13 . 1 1 32 32 SER C C 32 178.747 178.747 175.757 2.990 19876 8289 1 13 . 1 1 32 32 SER CA C 32 59.247 59.247 59.857 -0.610 19876 8290 1 13 . 1 1 32 32 SER CB C 32 63.224 63.224 61.747 1.477 19876 8291 1 13 . 1 1 32 32 SER H H 32 8.284 8.284 8.905 -0.621 19876 8292 1 13 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.264 0.081 19876 8293 1 13 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.373 -2.344 19876 8294 1 13 . 1 1 33 33 HIS CB C 33 29.559 29.559 30.066 -0.507 19876 8295 1 13 . 1 1 34 34 HIS N N 34 117.885 117.885 115.366 2.519 19876 8296 1 13 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.383 0.101 19876 8297 1 13 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.524 0.423 19876 8298 1 13 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.431 0.336 19876 8299 1 13 . 1 1 34 34 HIS H H 34 7.896 7.896 7.345 0.551 19876 8300 1 13 . 1 1 35 35 GLY N N 35 108.681 108.681 106.946 1.735 19876 8301 1 13 . 1 1 35 35 GLY C C 35 172.466 172.466 173.823 -1.357 19876 8302 1 13 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.185 0.114 19876 8303 1 13 . 1 1 35 35 GLY H H 35 7.864 7.864 7.896 -0.032 19876 8304 1 13 . 1 1 36 36 TRP N N 36 120.973 120.973 119.315 1.658 19876 8305 1 13 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.657 -0.163 19876 8306 1 13 . 1 1 36 36 TRP C C 36 174.594 174.594 176.458 -1.864 19876 8307 1 13 . 1 1 36 36 TRP CA C 36 57.866 57.866 55.861 2.005 19876 8308 1 13 . 1 1 36 36 TRP CB C 36 29.587 29.587 29.919 -0.333 19876 8309 1 13 . 1 1 36 36 TRP H H 36 7.809 7.809 7.291 0.518 19876 8310 1 13 . 1 1 37 37 VAL N N 37 122.778 122.778 116.299 6.479 19876 8311 1 13 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.260 -0.473 19876 8312 1 13 . 1 1 37 37 VAL C C 37 173.396 173.396 174.953 -1.557 19876 8313 1 13 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.510 0.774 19876 8314 1 13 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.863 -0.329 19876 8315 1 13 . 1 1 37 37 VAL H H 37 7.712 7.712 8.150 -0.438 19876 8316 1 13 . 1 1 38 38 ASN N N 38 121.869 121.869 120.583 1.286 19876 8317 1 13 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.686 -0.451 19876 8318 1 13 . 1 1 38 38 ASN C C 38 172.186 172.186 174.070 -1.884 19876 8319 1 13 . 1 1 38 38 ASN CA C 38 54.070 54.070 53.072 0.998 19876 8320 1 13 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.162 0.467 19876 8321 1 13 . 1 1 38 38 ASN H H 38 7.768 7.768 8.738 -0.970 19876 8322 1 13 . 1 1 39 39 ASP N N 39 123.332 123.332 126.472 -3.140 19876 8323 1 13 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.889 -0.030 19876 8324 1 13 . 1 1 39 39 ASP C C 39 173.301 173.301 175.040 -1.739 19876 8325 1 13 . 1 1 39 39 ASP CA C 39 49.860 49.860 50.851 -0.991 19876 8326 1 13 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.507 -0.799 19876 8327 1 13 . 1 1 39 39 ASP H H 39 8.300 8.300 8.596 -0.296 19876 8328 1 13 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.341 -0.185 19876 8329 1 13 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.263 -0.329 19876 8330 1 13 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.941 0.951 19876 8331 1 13 . 1 1 41 41 THR N N 41 107.824 107.824 109.340 -1.516 19876 8332 1 13 . 1 1 41 41 THR HA H 41 4.191 4.191 4.114 0.077 19876 8333 1 13 . 1 1 41 41 THR C C 41 173.405 173.405 175.008 -1.603 19876 8334 1 13 . 1 1 41 41 THR CA C 41 61.283 61.283 63.448 -2.165 19876 8335 1 13 . 1 1 41 41 THR CB C 41 69.351 69.351 68.962 0.389 19876 8336 1 13 . 1 1 41 41 THR H H 41 7.923 7.923 8.022 -0.099 19876 8337 1 13 . 1 1 42 42 SER N N 42 118.745 118.745 118.615 0.130 19876 8338 1 13 . 1 1 42 42 SER HA H 42 4.187 4.187 4.142 0.045 19876 8339 1 13 . 1 1 42 42 SER C C 42 172.750 172.750 175.764 -3.014 19876 8340 1 13 . 1 1 42 42 SER CA C 42 58.320 58.320 58.965 -0.645 19876 8341 1 13 . 1 1 42 42 SER CB C 42 64.569 64.569 63.658 0.911 19876 8342 1 13 . 1 1 42 42 SER H H 42 7.705 7.705 7.636 0.069 19876 8343 1 13 . 1 1 43 43 ALA N N 43 124.591 124.591 129.711 -5.120 19876 8344 1 13 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.942 0.018 19876 8345 1 13 . 1 1 43 43 ALA C C 43 178.795 178.795 179.181 -0.386 19876 8346 1 13 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.196 -0.059 19876 8347 1 13 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.563 -0.419 19876 8348 1 13 . 1 1 43 43 ALA H H 43 8.540 8.540 8.829 -0.289 19876 8349 1 13 . 1 1 44 44 VAL N N 44 115.734 115.734 116.371 -0.637 19876 8350 1 13 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.441 0.278 19876 8351 1 13 . 1 1 44 44 VAL C C 44 176.057 176.057 177.630 -1.573 19876 8352 1 13 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.941 -1.239 19876 8353 1 13 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.950 0.785 19876 8354 1 13 . 1 1 44 44 VAL H H 44 7.836 7.836 7.903 -0.067 19876 8355 1 13 . 1 1 45 45 ASN N N 45 123.038 123.038 118.757 4.281 19876 8356 1 13 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.857 0.187 19876 8357 1 13 . 1 1 45 45 ASN C C 45 176.022 176.022 177.663 -1.641 19876 8358 1 13 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.228 0.607 19876 8359 1 13 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.474 -0.753 19876 8360 1 13 . 1 1 45 45 ASN H H 45 7.709 7.709 7.525 0.184 19876 8361 1 13 . 1 1 46 46 LEU N N 46 122.005 122.005 120.756 1.249 19876 8362 1 13 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.739 0.187 19876 8363 1 13 . 1 1 46 46 LEU C C 46 178.192 178.192 178.971 -0.779 19876 8364 1 13 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.218 -0.175 19876 8365 1 13 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.470 -0.640 19876 8366 1 13 . 1 1 46 46 LEU H H 46 8.239 8.239 8.538 -0.299 19876 8367 1 13 . 1 1 47 47 GLN N N 47 119.394 119.394 118.744 0.650 19876 8368 1 13 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.871 0.100 19876 8369 1 13 . 1 1 47 47 GLN C C 47 177.762 177.762 178.724 -0.962 19876 8370 1 13 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.210 -0.519 19876 8371 1 13 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.663 -0.536 19876 8372 1 13 . 1 1 47 47 GLN H H 47 7.825 7.825 8.458 -0.633 19876 8373 1 13 . 1 1 48 48 LEU N N 48 122.808 122.808 119.727 3.081 19876 8374 1 13 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.837 -0.094 19876 8375 1 13 . 1 1 48 48 LEU C C 48 177.366 177.366 178.721 -1.355 19876 8376 1 13 . 1 1 48 48 LEU CA C 48 58.274 58.274 57.831 0.443 19876 8377 1 13 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.607 0.852 19876 8378 1 13 . 1 1 48 48 LEU H H 48 7.625 7.625 8.678 -1.053 19876 8379 1 13 . 1 1 49 49 ASN N N 49 117.784 117.784 118.601 -0.817 19876 8380 1 13 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.312 -0.026 19876 8381 1 13 . 1 1 49 49 ASN C C 49 176.893 176.893 177.652 -0.759 19876 8382 1 13 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.127 -0.991 19876 8383 1 13 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.114 -0.504 19876 8384 1 13 . 1 1 49 49 ASN H H 49 7.797 7.797 8.238 -0.441 19876 8385 1 13 . 1 1 50 50 ASP N N 50 120.887 120.887 121.531 -0.644 19876 8386 1 13 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.414 -0.110 19876 8387 1 13 . 1 1 50 50 ASP C C 50 177.452 177.452 178.425 -0.973 19876 8388 1 13 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.378 0.009 19876 8389 1 13 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.916 -0.326 19876 8390 1 13 . 1 1 50 50 ASP H H 50 7.868 7.868 8.391 -0.523 19876 8391 1 13 . 1 1 51 51 LEU N N 51 123.117 123.117 120.773 2.344 19876 8392 1 13 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.835 0.323 19876 8393 1 13 . 1 1 51 51 LEU C C 51 177.345 177.345 179.090 -1.745 19876 8394 1 13 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.464 -1.500 19876 8395 1 13 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.993 -0.992 19876 8396 1 13 . 1 1 51 51 LEU H H 51 7.627 7.627 8.452 -0.825 19876 8397 1 13 . 1 1 52 52 ILE N N 52 120.007 120.007 118.640 1.367 19876 8398 1 13 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.483 -0.116 19876 8399 1 13 . 1 1 52 52 ILE C C 52 176.246 176.246 178.052 -1.806 19876 8400 1 13 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.008 1.012 19876 8401 1 13 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.520 0.661 19876 8402 1 13 . 1 1 52 52 ILE H H 52 8.309 8.309 8.785 -0.476 19876 8403 1 13 . 1 1 53 53 GLU N N 53 117.619 117.619 119.214 -1.595 19876 8404 1 13 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.965 -0.034 19876 8405 1 13 . 1 1 53 53 GLU C C 53 178.193 178.193 178.908 -0.715 19876 8406 1 13 . 1 1 53 53 GLU CA C 53 59.453 59.453 60.049 -0.596 19876 8407 1 13 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.636 -0.288 19876 8408 1 13 . 1 1 53 53 GLU H H 53 7.965 7.965 7.886 0.079 19876 8409 1 13 . 1 1 54 54 HIS N N 54 120.335 120.335 120.437 -0.102 19876 8410 1 13 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.286 0.026 19876 8411 1 13 . 1 1 54 54 HIS C C 54 177.331 177.331 177.900 -0.569 19876 8412 1 13 . 1 1 54 54 HIS CA C 54 59.562 59.562 60.224 -0.662 19876 8413 1 13 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.816 0.381 19876 8414 1 13 . 1 1 54 54 HIS H H 54 8.117 8.117 8.842 -0.725 19876 8415 1 13 . 1 1 55 55 ILE N N 55 120.694 120.694 119.253 1.441 19876 8416 1 13 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.726 -0.287 19876 8417 1 13 . 1 1 55 55 ILE C C 55 176.281 176.281 177.920 -1.639 19876 8418 1 13 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.517 0.434 19876 8419 1 13 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.606 -0.577 19876 8420 1 13 . 1 1 55 55 ILE H H 55 8.655 8.655 8.884 -0.229 19876 8421 1 13 . 1 1 56 56 ALA N N 56 123.896 123.896 123.130 0.766 19876 8422 1 13 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.909 -0.148 19876 8423 1 13 . 1 1 56 56 ALA C C 56 179.581 179.581 179.806 -0.225 19876 8424 1 13 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.768 -0.156 19876 8425 1 13 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.056 -0.407 19876 8426 1 13 . 1 1 56 56 ALA H H 56 9.063 9.063 8.637 0.426 19876 8427 1 13 . 1 1 57 57 SER N N 57 114.014 114.014 115.821 -1.807 19876 8428 1 13 . 1 1 57 57 SER HA H 57 4.165 4.165 4.237 -0.072 19876 8429 1 13 . 1 1 57 57 SER C C 57 175.540 175.540 176.812 -1.272 19876 8430 1 13 . 1 1 57 57 SER CA C 57 61.491 61.491 61.349 0.142 19876 8431 1 13 . 1 1 57 57 SER CB C 57 62.640 62.640 62.790 -0.150 19876 8432 1 13 . 1 1 57 57 SER H H 57 7.918 7.918 8.794 -0.876 19876 8433 1 13 . 1 1 58 58 PHE N N 58 125.013 125.013 124.776 0.237 19876 8434 1 13 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.353 -0.335 19876 8435 1 13 . 1 1 58 58 PHE C C 58 177.343 177.343 177.696 -0.353 19876 8436 1 13 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.465 1.211 19876 8437 1 13 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.797 0.386 19876 8438 1 13 . 1 1 58 58 PHE H H 58 8.024 8.024 8.451 -0.427 19876 8439 1 13 . 1 1 59 59 VAL N N 59 120.373 120.373 120.002 0.371 19876 8440 1 13 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.108 0.549 19876 8441 1 13 . 1 1 59 59 VAL C C 59 175.403 175.403 177.765 -2.362 19876 8442 1 13 . 1 1 59 59 VAL CA C 59 66.102 66.102 66.879 -0.777 19876 8443 1 13 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.409 0.029 19876 8444 1 13 . 1 1 59 59 VAL H H 59 9.263 9.263 8.839 0.424 19876 8445 1 13 . 1 1 60 60 MET N N 60 120.360 120.360 118.927 1.433 19876 8446 1 13 . 1 1 60 60 MET HA H 60 4.002 4.002 3.878 0.124 19876 8447 1 13 . 1 1 60 60 MET C C 60 177.417 177.417 178.472 -1.055 19876 8448 1 13 . 1 1 60 60 MET CA C 60 59.396 59.396 59.765 -0.369 19876 8449 1 13 . 1 1 60 60 MET CB C 60 31.986 31.986 32.519 -0.533 19876 8450 1 13 . 1 1 60 60 MET H H 60 7.826 7.826 8.676 -0.850 19876 8451 1 13 . 1 1 61 61 SER N N 61 113.289 113.289 114.657 -1.368 19876 8452 1 13 . 1 1 61 61 SER HA H 61 4.035 4.035 4.165 -0.130 19876 8453 1 13 . 1 1 61 61 SER CA C 61 61.619 61.619 61.347 0.272 19876 8454 1 13 . 1 1 61 61 SER CB C 61 62.600 62.600 63.048 -0.448 19876 8455 1 13 . 1 1 61 61 SER H H 61 7.230 7.230 7.717 -0.487 19876 8456 1 13 . 1 1 62 62 PHE N N 62 126.395 126.395 124.977 1.418 19876 8457 1 13 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.894 -0.253 19876 8458 1 13 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.351 -0.407 19876 8459 1 13 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.792 1.670 19876 8460 1 13 . 1 1 62 62 PHE H H 62 8.681 8.681 8.455 0.226 19876 8461 1 13 . 1 1 63 63 LYS N N 63 116.676 116.676 117.024 -0.348 19876 8462 1 13 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.197 -0.165 19876 8463 1 13 . 1 1 63 63 LYS C C 63 177.262 177.262 178.638 -1.376 19876 8464 1 13 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.050 -0.362 19876 8465 1 13 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.090 0.758 19876 8466 1 13 . 1 1 63 63 LYS H H 63 8.585 8.585 8.750 -0.165 19876 8467 1 13 . 1 1 64 64 ILE N N 64 117.020 117.020 118.675 -1.655 19876 8468 1 13 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.785 -0.262 19876 8469 1 13 . 1 1 64 64 ILE C C 64 176.151 176.151 177.684 -1.533 19876 8470 1 13 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.525 -0.532 19876 8471 1 13 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.030 0.147 19876 8472 1 13 . 1 1 64 64 ILE H H 64 6.751 6.751 7.695 -0.944 19876 8473 1 13 . 1 1 65 65 LYS N N 65 120.165 120.165 118.237 1.928 19876 8474 1 13 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.925 -0.486 19876 8475 1 13 . 1 1 65 65 LYS C C 65 175.133 175.133 176.943 -1.810 19876 8476 1 13 . 1 1 65 65 LYS CA C 65 58.955 58.955 59.179 -0.224 19876 8477 1 13 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.019 -0.062 19876 8478 1 13 . 1 1 65 65 LYS H H 65 7.058 7.058 7.990 -0.932 19876 8479 1 13 . 1 1 66 66 TYR N N 66 115.421 115.421 117.841 -2.420 19876 8480 1 13 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.656 0.232 19876 8481 1 13 . 1 1 66 66 TYR C C 66 173.061 173.061 173.094 -0.033 19876 8482 1 13 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.593 -1.064 19876 8483 1 13 . 1 1 66 66 TYR CB C 66 36.669 36.669 41.294 -4.625 19876 8484 1 13 . 1 1 66 66 TYR H H 66 7.784 7.784 8.053 -0.269 19876 8485 1 13 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.637 -0.280 19876 8486 1 13 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.922 0.588 19876 8487 1 13 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.601 -0.696 19876 8488 1 13 . 1 1 68 68 ASP N N 68 117.110 117.110 120.249 -3.139 19876 8489 1 13 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.313 0.414 19876 8490 1 13 . 1 1 68 68 ASP C C 68 175.024 175.024 176.301 -1.277 19876 8491 1 13 . 1 1 68 68 ASP CA C 68 54.743 54.743 56.329 -1.586 19876 8492 1 13 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.287 0.207 19876 8493 1 13 . 1 1 68 68 ASP H H 68 8.548 8.548 7.995 0.553 19876 8494 1 13 . 1 1 69 69 ASP N N 69 122.994 122.994 116.343 6.651 19876 8495 1 13 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.500 0.491 19876 8496 1 13 . 1 1 69 69 ASP C C 69 174.782 174.782 177.880 -3.098 19876 8497 1 13 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.822 0.493 19876 8498 1 13 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.193 -0.030 19876 8499 1 13 . 1 1 69 69 ASP H H 69 7.545 7.545 8.223 -0.678 19876 8500 1 13 . 1 1 70 70 GLY N N 70 107.712 107.712 109.526 -1.814 19876 8501 1 13 . 1 1 70 70 GLY C C 70 173.987 173.987 175.513 -1.526 19876 8502 1 13 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.772 -0.440 19876 8503 1 13 . 1 1 70 70 GLY H H 70 7.879 7.879 8.019 -0.140 19876 8504 1 13 . 1 1 71 71 ASP N N 71 119.785 119.785 121.643 -1.858 19876 8505 1 13 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.443 -0.248 19876 8506 1 13 . 1 1 71 71 ASP C C 71 177.114 177.114 178.215 -1.101 19876 8507 1 13 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.665 -0.613 19876 8508 1 13 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.682 -1.337 19876 8509 1 13 . 1 1 71 71 ASP H H 71 8.447 8.447 8.211 0.236 19876 8510 1 13 . 1 1 72 72 LEU N N 72 119.776 119.776 121.092 -1.316 19876 8511 1 13 . 1 1 72 72 LEU HA H 72 3.867 3.867 4.135 -0.268 19876 8512 1 13 . 1 1 72 72 LEU C C 72 176.531 176.531 177.827 -1.296 19876 8513 1 13 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.798 -0.346 19876 8514 1 13 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.478 0.257 19876 8515 1 13 . 1 1 72 72 LEU H H 72 7.562 7.562 8.239 -0.677 19876 8516 1 13 . 1 1 73 73 SER N N 73 113.964 113.964 116.183 -2.219 19876 8517 1 13 . 1 1 73 73 SER HA H 73 3.605 3.605 3.989 -0.384 19876 8518 1 13 . 1 1 73 73 SER C C 73 174.610 174.610 176.708 -2.098 19876 8519 1 13 . 1 1 73 73 SER CA C 73 62.161 62.161 62.502 -0.341 19876 8520 1 13 . 1 1 73 73 SER CB C 73 62.158 62.158 62.407 -0.249 19876 8521 1 13 . 1 1 73 73 SER H H 73 8.050 8.050 8.267 -0.217 19876 8522 1 13 . 1 1 74 74 GLU N N 74 119.742 119.742 123.005 -3.263 19876 8523 1 13 . 1 1 74 74 GLU HA H 74 4.071 4.071 3.963 0.108 19876 8524 1 13 . 1 1 74 74 GLU C C 74 178.089 178.089 178.755 -0.666 19876 8525 1 13 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.651 -0.549 19876 8526 1 13 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.687 -0.474 19876 8527 1 13 . 1 1 74 74 GLU H H 74 8.623 8.623 8.562 0.061 19876 8528 1 13 . 1 1 75 75 LEU N N 75 122.325 122.325 120.420 1.905 19876 8529 1 13 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.363 -0.120 19876 8530 1 13 . 1 1 75 75 LEU C C 75 177.962 177.962 179.481 -1.519 19876 8531 1 13 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.594 -0.214 19876 8532 1 13 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.262 0.142 19876 8533 1 13 . 1 1 75 75 LEU H H 75 7.255 7.255 8.278 -1.023 19876 8534 1 13 . 1 1 76 76 VAL N N 76 119.514 119.514 119.478 0.036 19876 8535 1 13 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.732 -0.145 19876 8536 1 13 . 1 1 76 76 VAL C C 76 176.909 176.909 178.085 -1.176 19876 8537 1 13 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.526 -0.266 19876 8538 1 13 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.099 -0.157 19876 8539 1 13 . 1 1 76 76 VAL H H 76 8.235 8.235 8.808 -0.573 19876 8540 1 13 . 1 1 77 77 GLU N N 77 118.692 118.692 119.777 -1.085 19876 8541 1 13 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.862 -0.123 19876 8542 1 13 . 1 1 77 77 GLU C C 77 177.692 177.692 179.204 -1.512 19876 8543 1 13 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.177 0.830 19876 8544 1 13 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.259 -0.102 19876 8545 1 13 . 1 1 77 77 GLU H H 77 8.204 8.204 8.781 -0.577 19876 8546 1 13 . 1 1 78 78 GLU N N 78 121.945 121.945 120.372 1.573 19876 8547 1 13 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.066 -0.038 19876 8548 1 13 . 1 1 78 78 GLU C C 78 176.559 176.559 178.886 -2.327 19876 8549 1 13 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.412 0.162 19876 8550 1 13 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.715 0.170 19876 8551 1 13 . 1 1 78 78 GLU H H 78 8.058 8.058 8.405 -0.347 19876 8552 1 13 . 1 1 79 79 TYR N N 79 119.945 119.945 121.890 -1.945 19876 8553 1 13 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.202 0.198 19876 8554 1 13 . 1 1 79 79 TYR C C 79 178.365 178.365 177.852 0.513 19876 8555 1 13 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.289 -0.188 19876 8556 1 13 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.153 0.485 19876 8557 1 13 . 1 1 79 79 TYR H H 79 8.347 8.347 8.869 -0.522 19876 8558 1 13 . 1 1 80 80 LEU N N 80 123.586 123.586 119.606 3.980 19876 8559 1 13 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.608 0.041 19876 8560 1 13 . 1 1 80 80 LEU C C 80 177.594 177.594 179.076 -1.482 19876 8561 1 13 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.381 0.298 19876 8562 1 13 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.292 -0.650 19876 8563 1 13 . 1 1 80 80 LEU H H 80 9.113 9.113 8.828 0.285 19876 8564 1 13 . 1 1 81 81 ASP N N 81 121.522 121.522 119.329 2.193 19876 8565 1 13 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.252 0.154 19876 8566 1 13 . 1 1 81 81 ASP C C 81 178.021 178.021 178.182 -0.161 19876 8567 1 13 . 1 1 81 81 ASP CA C 81 57.689 57.689 57.917 -0.228 19876 8568 1 13 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.573 0.069 19876 8569 1 13 . 1 1 81 81 ASP H H 81 8.228 8.228 8.243 -0.015 19876 8570 1 13 . 1 1 82 82 ASP N N 82 120.931 120.931 119.426 1.505 19876 8571 1 13 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.424 -0.002 19876 8572 1 13 . 1 1 82 82 ASP C C 82 178.342 178.342 178.898 -0.556 19876 8573 1 13 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.846 0.061 19876 8574 1 13 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.915 -0.082 19876 8575 1 13 . 1 1 82 82 ASP H H 82 9.139 9.139 8.704 0.435 19876 8576 1 13 . 1 1 83 83 THR N N 83 118.686 118.686 116.544 2.142 19876 8577 1 13 . 1 1 83 83 THR HA H 83 3.415 3.415 3.664 -0.249 19876 8578 1 13 . 1 1 83 83 THR C C 83 173.663 173.663 176.503 -2.840 19876 8579 1 13 . 1 1 83 83 THR CA C 83 67.258 67.258 66.872 0.386 19876 8580 1 13 . 1 1 83 83 THR CB C 83 68.017 68.017 68.859 -0.842 19876 8581 1 13 . 1 1 83 83 THR H H 83 8.394 8.394 8.795 -0.401 19876 8582 1 13 . 1 1 84 84 TYR N N 84 122.004 122.004 123.103 -1.099 19876 8583 1 13 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.118 -0.375 19876 8584 1 13 . 1 1 84 84 TYR C C 84 177.983 177.983 177.670 0.313 19876 8585 1 13 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.114 -0.007 19876 8586 1 13 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.352 0.099 19876 8587 1 13 . 1 1 84 84 TYR H H 84 8.561 8.561 8.685 -0.124 19876 8588 1 13 . 1 1 85 85 THR N N 85 116.249 116.249 115.698 0.551 19876 8589 1 13 . 1 1 85 85 THR HA H 85 3.409 3.409 3.924 -0.515 19876 8590 1 13 . 1 1 85 85 THR C C 85 174.628 174.628 176.321 -1.693 19876 8591 1 13 . 1 1 85 85 THR CA C 85 66.483 66.483 66.131 0.352 19876 8592 1 13 . 1 1 85 85 THR CB C 85 68.604 68.604 68.543 0.061 19876 8593 1 13 . 1 1 85 85 THR H H 85 8.749 8.749 8.718 0.031 19876 8594 1 13 . 1 1 86 86 LEU N N 86 121.835 121.835 121.172 0.663 19876 8595 1 13 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.861 -0.306 19876 8596 1 13 . 1 1 86 86 LEU C C 86 176.057 176.057 179.249 -3.192 19876 8597 1 13 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.177 0.829 19876 8598 1 13 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.403 1.370 19876 8599 1 13 . 1 1 86 86 LEU H H 86 7.257 7.257 7.759 -0.502 19876 8600 1 13 . 1 1 87 87 PHE N N 87 111.264 111.264 114.913 -3.649 19876 8601 1 13 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.142 -0.165 19876 8602 1 13 . 1 1 87 87 PHE C C 87 174.687 174.687 177.382 -2.695 19876 8603 1 13 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.034 0.706 19876 8604 1 13 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.695 0.736 19876 8605 1 13 . 1 1 87 87 PHE H H 87 7.168 7.168 7.303 -0.135 19876 8606 1 13 . 1 1 88 88 SER N N 88 112.848 112.848 112.765 0.083 19876 8607 1 13 . 1 1 88 88 SER HA H 88 4.207 4.207 4.109 0.098 19876 8608 1 13 . 1 1 88 88 SER C C 88 172.760 172.760 174.621 -1.861 19876 8609 1 13 . 1 1 88 88 SER CA C 88 58.725 58.725 60.047 -1.322 19876 8610 1 13 . 1 1 88 88 SER CB C 88 63.342 63.342 63.760 -0.418 19876 8611 1 13 . 1 1 88 88 SER H H 88 7.290 7.290 7.552 -0.262 19876 8612 1 13 . 1 1 89 89 SER N N 89 116.554 116.554 117.347 -0.793 19876 8613 1 13 . 1 1 89 89 SER HA H 89 4.347 4.347 4.586 -0.239 19876 8614 1 13 . 1 1 89 89 SER C C 89 172.251 172.251 174.138 -1.887 19876 8615 1 13 . 1 1 89 89 SER CA C 89 57.597 57.597 57.926 -0.329 19876 8616 1 13 . 1 1 89 89 SER CB C 89 64.426 64.426 64.240 0.186 19876 8617 1 13 . 1 1 89 89 SER H H 89 7.064 7.064 7.825 -0.761 19876 8618 1 13 . 1 1 90 90 TYR N N 90 122.348 122.348 124.601 -2.253 19876 8619 1 13 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.235 0.108 19876 8620 1 13 . 1 1 90 90 TYR C C 90 175.043 175.043 176.788 -1.745 19876 8621 1 13 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.503 -2.531 19876 8622 1 13 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.873 -1.247 19876 8623 1 13 . 1 1 90 90 TYR H H 90 8.446 8.446 8.986 -0.540 19876 8624 1 13 . 1 1 91 91 GLY N N 91 111.349 111.349 104.322 7.027 19876 8625 1 13 . 1 1 91 91 GLY C C 91 170.874 170.874 173.344 -2.470 19876 8626 1 13 . 1 1 91 91 GLY CA C 91 44.734 44.734 44.118 0.616 19876 8627 1 13 . 1 1 91 91 GLY H H 91 7.820 7.820 8.065 -0.245 19876 8628 1 13 . 1 1 92 92 ILE N N 92 121.703 121.703 123.407 -1.704 19876 8629 1 13 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.919 -0.041 19876 8630 1 13 . 1 1 92 92 ILE C C 92 173.956 173.956 175.555 -1.599 19876 8631 1 13 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.167 -0.041 19876 8632 1 13 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.957 0.485 19876 8633 1 13 . 1 1 92 92 ILE H H 92 8.032 8.032 8.348 -0.316 19876 8634 1 13 . 1 1 93 93 ASN N N 93 125.791 125.791 124.166 1.625 19876 8635 1 13 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.922 -0.008 19876 8636 1 13 . 1 1 93 93 ASN C C 93 173.468 173.468 175.314 -1.846 19876 8637 1 13 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.195 -0.753 19876 8638 1 13 . 1 1 93 93 ASN CB C 93 40.147 40.147 41.462 -1.315 19876 8639 1 13 . 1 1 93 93 ASN H H 93 8.423 8.423 8.439 -0.016 19876 8640 1 13 . 1 1 94 94 ASP N N 94 122.019 122.019 124.398 -2.379 19876 8641 1 13 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.543 -0.052 19876 8642 1 13 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.034 0.084 19876 8643 1 13 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.737 -0.449 19876 8644 1 13 . 1 1 94 94 ASP H H 94 8.710 8.710 9.001 -0.291 19876 8645 1 13 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.258 -0.104 19876 8646 1 13 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.150 0.404 19876 8647 1 13 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.325 -0.576 19876 8648 1 13 . 1 1 96 96 GLU N N 96 117.965 117.965 118.256 -0.291 19876 8649 1 13 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.063 -0.202 19876 8650 1 13 . 1 1 96 96 GLU C C 96 177.730 177.730 179.220 -1.490 19876 8651 1 13 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.076 -0.194 19876 8652 1 13 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.940 -0.102 19876 8653 1 13 . 1 1 96 96 GLU H H 96 7.954 7.954 8.489 -0.535 19876 8654 1 13 . 1 1 97 97 LEU N N 97 124.427 124.427 122.081 2.346 19876 8655 1 13 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.955 0.154 19876 8656 1 13 . 1 1 97 97 LEU C C 97 177.211 177.211 178.589 -1.378 19876 8657 1 13 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.665 -0.614 19876 8658 1 13 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.823 -0.052 19876 8659 1 13 . 1 1 97 97 LEU H H 97 7.825 7.825 8.382 -0.557 19876 8660 1 13 . 1 1 98 98 GLN N N 98 117.195 117.195 117.852 -0.657 19876 8661 1 13 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.095 -0.105 19876 8662 1 13 . 1 1 98 98 GLN C C 98 177.762 177.762 178.936 -1.174 19876 8663 1 13 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.466 0.157 19876 8664 1 13 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.750 0.251 19876 8665 1 13 . 1 1 98 98 GLN H H 98 8.481 8.481 8.897 -0.416 19876 8666 1 13 . 1 1 99 99 ARG N N 99 119.687 119.687 121.219 -1.532 19876 8667 1 13 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.089 -0.167 19876 8668 1 13 . 1 1 99 99 ARG C C 99 176.055 176.055 178.346 -2.291 19876 8669 1 13 . 1 1 99 99 ARG CA C 99 59.613 59.613 58.966 0.647 19876 8670 1 13 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.906 0.416 19876 8671 1 13 . 1 1 99 99 ARG H H 99 7.836 7.836 8.307 -0.471 19876 8672 1 13 . 1 1 100 100 TRP N N 100 119.762 119.762 121.763 -2.001 19876 8673 1 13 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.470 -0.241 19876 8674 1 13 . 1 1 100 100 TRP C C 100 176.004 176.004 178.371 -2.367 19876 8675 1 13 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.442 0.563 19876 8676 1 13 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.055 -0.107 19876 8677 1 13 . 1 1 100 100 TRP H H 100 7.731 7.731 8.814 -1.083 19876 8678 1 13 . 1 1 101 101 GLN N N 101 115.464 115.464 116.970 -1.506 19876 8679 1 13 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.274 0.211 19876 8680 1 13 . 1 1 101 101 GLN C C 101 177.498 177.498 178.286 -0.788 19876 8681 1 13 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.444 -0.280 19876 8682 1 13 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.144 -0.062 19876 8683 1 13 . 1 1 101 101 GLN H H 101 8.277 8.277 8.699 -0.422 19876 8684 1 13 . 1 1 102 102 LYS N N 102 119.856 119.856 119.569 0.287 19876 8685 1 13 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.120 -0.208 19876 8686 1 13 . 1 1 102 102 LYS C C 102 178.364 178.364 179.223 -0.859 19876 8687 1 13 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.579 -0.400 19876 8688 1 13 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.257 -0.432 19876 8689 1 13 . 1 1 102 102 LYS H H 102 8.047 8.047 8.437 -0.390 19876 8690 1 13 . 1 1 103 103 THR N N 103 121.217 121.217 115.791 5.426 19876 8691 1 13 . 1 1 103 103 THR HA H 103 3.658 3.658 3.938 -0.280 19876 8692 1 13 . 1 1 103 103 THR C C 103 174.266 174.266 176.635 -2.369 19876 8693 1 13 . 1 1 103 103 THR CA C 103 66.206 66.206 66.440 -0.234 19876 8694 1 13 . 1 1 103 103 THR CB C 103 67.515 67.515 68.248 -0.733 19876 8695 1 13 . 1 1 103 103 THR H H 103 8.816 8.816 8.404 0.412 19876 8696 1 13 . 1 1 104 104 LYS N N 104 122.265 122.265 121.169 1.096 19876 8697 1 13 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.453 -0.402 19876 8698 1 13 . 1 1 104 104 LYS C C 104 176.952 176.952 179.016 -2.064 19876 8699 1 13 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.297 1.223 19876 8700 1 13 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.655 -1.315 19876 8701 1 13 . 1 1 104 104 LYS H H 104 8.258 8.258 7.741 0.517 19876 8702 1 13 . 1 1 105 105 GLU N N 105 118.912 118.912 118.516 0.396 19876 8703 1 13 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.669 -0.071 19876 8704 1 13 . 1 1 105 105 GLU C C 105 178.038 178.038 178.780 -0.742 19876 8705 1 13 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.050 0.468 19876 8706 1 13 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.841 0.191 19876 8707 1 13 . 1 1 105 105 GLU H H 105 7.963 7.963 8.148 -0.185 19876 8708 1 13 . 1 1 106 106 ARG N N 106 120.201 120.201 120.086 0.115 19876 8709 1 13 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.975 -0.280 19876 8710 1 13 . 1 1 106 106 ARG C C 106 177.744 177.744 179.035 -1.291 19876 8711 1 13 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.346 0.648 19876 8712 1 13 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.051 0.737 19876 8713 1 13 . 1 1 106 106 ARG H H 106 7.940 7.940 8.379 -0.439 19876 8714 1 13 . 1 1 107 107 LEU N N 107 120.982 120.982 119.923 1.059 19876 8715 1 13 . 1 1 107 107 LEU HA H 107 3.745 3.745 4.046 -0.301 19876 8716 1 13 . 1 1 107 107 LEU C C 107 176.173 176.173 179.028 -2.855 19876 8717 1 13 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.743 -1.306 19876 8718 1 13 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.950 -1.081 19876 8719 1 13 . 1 1 107 107 LEU H H 107 8.242 8.242 7.861 0.381 19876 8720 1 13 . 1 1 108 108 PHE N N 108 117.793 117.793 118.994 -1.201 19876 8721 1 13 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.215 -0.213 19876 8722 1 13 . 1 1 108 108 PHE C C 108 177.654 177.654 177.810 -0.156 19876 8723 1 13 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.794 -0.605 19876 8724 1 13 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.208 -1.423 19876 8725 1 13 . 1 1 108 108 PHE H H 108 8.772 8.772 8.313 0.459 19876 8726 1 13 . 1 1 109 109 ARG N N 109 121.726 121.726 119.233 2.493 19876 8727 1 13 . 1 1 109 109 ARG HA H 109 4.006 4.006 3.968 0.038 19876 8728 1 13 . 1 1 109 109 ARG C C 109 177.785 177.785 178.754 -0.969 19876 8729 1 13 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.993 0.349 19876 8730 1 13 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.338 0.460 19876 8731 1 13 . 1 1 109 109 ARG H H 109 7.865 7.865 8.368 -0.503 19876 8732 1 13 . 1 1 110 110 LEU N N 110 121.486 121.486 119.130 2.356 19876 8733 1 13 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.771 0.323 19876 8734 1 13 . 1 1 110 110 LEU C C 110 178.537 178.537 179.458 -0.921 19876 8735 1 13 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.053 -0.212 19876 8736 1 13 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.773 -0.952 19876 8737 1 13 . 1 1 110 110 LEU H H 110 7.338 7.338 7.516 -0.178 19876 8738 1 13 . 1 1 111 111 PHE N N 111 115.883 115.883 117.403 -1.520 19876 8739 1 13 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.220 0.096 19876 8740 1 13 . 1 1 111 111 PHE C C 111 175.369 175.369 177.326 -1.957 19876 8741 1 13 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.544 -1.465 19876 8742 1 13 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.760 -0.249 19876 8743 1 13 . 1 1 111 111 PHE H H 111 7.584 7.584 8.318 -0.734 19876 8744 1 13 . 1 1 112 112 SER N N 112 111.693 111.693 113.535 -1.842 19876 8745 1 13 . 1 1 112 112 SER HA H 112 4.329 4.329 4.409 -0.080 19876 8746 1 13 . 1 1 112 112 SER C C 112 173.353 173.353 175.064 -1.711 19876 8747 1 13 . 1 1 112 112 SER CA C 112 59.050 59.050 59.290 -0.240 19876 8748 1 13 . 1 1 112 112 SER CB C 112 63.841 63.841 63.059 0.782 19876 8749 1 13 . 1 1 112 112 SER H H 112 7.554 7.554 8.404 -0.850 19876 8750 1 13 . 1 1 113 113 GLY N N 113 109.665 109.665 108.323 1.342 19876 8751 1 13 . 1 1 113 113 GLY C C 113 173.407 173.407 174.366 -0.959 19876 8752 1 13 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.744 0.630 19876 8753 1 13 . 1 1 113 113 GLY H H 113 7.781 7.781 7.579 0.202 19876 8754 1 13 . 1 1 114 114 GLU N N 114 121.028 121.028 121.853 -0.825 19876 8755 1 13 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.952 0.050 19876 8756 1 13 . 1 1 114 114 GLU C C 114 175.971 175.971 177.209 -1.238 19876 8757 1 13 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.033 0.277 19876 8758 1 13 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.358 0.806 19876 8759 1 13 . 1 1 114 114 GLU H H 114 8.414 8.414 7.690 0.724 19876 8760 1 13 . 1 1 115 115 TYR N N 115 118.828 118.828 115.824 3.004 19876 8761 1 13 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.716 -0.404 19876 8762 1 13 . 1 1 115 115 TYR C C 115 175.248 175.248 178.333 -3.085 19876 8763 1 13 . 1 1 115 115 TYR CA C 115 59.734 59.734 58.971 0.763 19876 8764 1 13 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.564 -0.193 19876 8765 1 13 . 1 1 115 115 TYR H H 115 7.939 7.939 6.914 1.025 19876 8766 1 13 . 1 1 116 116 ILE N N 116 120.412 120.412 121.314 -0.902 19876 8767 1 13 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.514 0.229 19876 8768 1 13 . 1 1 116 116 ILE C C 116 175.591 175.591 178.009 -2.418 19876 8769 1 13 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.313 -2.177 19876 8770 1 13 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.147 1.080 19876 8771 1 13 . 1 1 116 116 ILE H H 116 7.892 7.892 7.386 0.506 19876 8772 1 13 . 1 1 117 117 SER N N 117 117.142 117.142 113.247 3.895 19876 8773 1 13 . 1 1 117 117 SER HA H 117 4.141 4.141 4.099 0.042 19876 8774 1 13 . 1 1 117 117 SER C C 117 174.795 174.795 176.537 -1.742 19876 8775 1 13 . 1 1 117 117 SER CA C 117 60.437 60.437 61.854 -1.417 19876 8776 1 13 . 1 1 117 117 SER CB C 117 62.987 62.987 62.496 0.491 19876 8777 1 13 . 1 1 117 117 SER H H 117 8.127 8.127 8.764 -0.637 19876 8778 1 13 . 1 1 118 118 THR N N 118 115.779 115.779 114.655 1.124 19876 8779 1 13 . 1 1 118 118 THR HA H 118 3.987 3.987 4.166 -0.179 19876 8780 1 13 . 1 1 118 118 THR C C 118 174.025 174.025 176.088 -2.063 19876 8781 1 13 . 1 1 118 118 THR CA C 118 64.026 64.026 64.070 -0.044 19876 8782 1 13 . 1 1 118 118 THR CB C 118 68.953 68.953 69.132 -0.179 19876 8783 1 13 . 1 1 118 118 THR H H 118 7.872 7.872 7.616 0.256 19876 8784 1 13 . 1 1 119 119 LEU N N 119 122.845 122.845 122.496 0.349 19876 8785 1 13 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.029 0.019 19876 8786 1 13 . 1 1 119 119 LEU C C 119 176.246 176.246 177.306 -1.060 19876 8787 1 13 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.925 -1.844 19876 8788 1 13 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.790 -0.585 19876 8789 1 13 . 1 1 119 119 LEU H H 119 7.679 7.679 8.036 -0.357 19876 8790 1 13 . 1 1 120 120 MET N N 120 117.447 117.447 115.356 2.091 19876 8791 1 13 . 1 1 120 120 MET HA H 120 4.243 4.243 4.562 -0.319 19876 8792 1 13 . 1 1 120 120 MET C C 120 174.594 174.594 175.473 -0.879 19876 8793 1 13 . 1 1 120 120 MET CA C 120 55.470 55.470 54.422 1.048 19876 8794 1 13 . 1 1 120 120 MET CB C 120 32.606 32.606 31.391 1.215 19876 8795 1 13 . 1 1 120 120 MET H H 120 7.812 7.812 8.105 -0.293 19876 8796 1 13 . 1 1 121 121 LYS N N 121 121.578 121.578 125.815 -4.237 19876 8797 1 13 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.226 0.009 19876 8798 1 13 . 1 1 121 121 LYS C C 121 174.539 174.539 177.737 -3.198 19876 8799 1 13 . 1 1 121 121 LYS CA C 121 56.481 56.481 56.781 -0.300 19876 8800 1 13 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.379 -0.413 19876 8801 1 13 . 1 1 121 121 LYS H H 121 7.790 7.790 8.098 -0.308 19876 8802 1 14 . 1 1 2 2 ASP N N 2 122.949 122.949 123.078 -0.129 19876 8803 1 14 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.897 -0.453 19876 8804 1 14 . 1 1 2 2 ASP C C 2 174.891 174.891 175.849 -0.958 19876 8805 1 14 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.550 0.072 19876 8806 1 14 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.591 -0.272 19876 8807 1 14 . 1 1 2 2 ASP H H 2 8.386 8.386 8.503 -0.117 19876 8808 1 14 . 1 1 3 3 GLU N N 3 119.296 119.296 122.635 -3.339 19876 8809 1 14 . 1 1 3 3 GLU HA H 3 3.864 3.864 3.827 0.037 19876 8810 1 14 . 1 1 3 3 GLU C C 3 175.006 175.006 176.808 -1.802 19876 8811 1 14 . 1 1 3 3 GLU CA C 3 58.073 58.073 58.564 -0.491 19876 8812 1 14 . 1 1 3 3 GLU CB C 3 29.567 29.567 28.945 0.622 19876 8813 1 14 . 1 1 3 3 GLU H H 3 8.601 8.601 8.705 -0.104 19876 8814 1 14 . 1 1 4 4 TYR N N 4 118.038 118.038 119.883 -1.845 19876 8815 1 14 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.497 -0.044 19876 8816 1 14 . 1 1 4 4 TYR C C 4 174.761 174.761 176.135 -1.374 19876 8817 1 14 . 1 1 4 4 TYR CA C 4 57.574 57.574 59.142 -1.568 19876 8818 1 14 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.592 0.403 19876 8819 1 14 . 1 1 4 4 TYR H H 4 8.049 8.049 8.068 -0.019 19876 8820 1 14 . 1 1 5 5 SER N N 5 118.519 118.519 113.603 4.916 19876 8821 1 14 . 1 1 5 5 SER HA H 5 4.444 4.444 4.897 -0.453 19876 8822 1 14 . 1 1 5 5 SER C C 5 171.907 171.907 172.386 -0.479 19876 8823 1 14 . 1 1 5 5 SER CA C 5 57.173 57.173 55.713 1.460 19876 8824 1 14 . 1 1 5 5 SER CB C 5 62.104 62.104 64.559 -2.455 19876 8825 1 14 . 1 1 5 5 SER H H 5 7.759 7.759 7.872 -0.113 19876 8826 1 14 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.943 -0.499 19876 8827 1 14 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.878 0.719 19876 8828 1 14 . 1 1 6 6 PRO CB C 6 32.048 32.048 31.204 0.844 19876 8829 1 14 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.020 -0.232 19876 8830 1 14 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.020 0.480 19876 8831 1 14 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.389 0.192 19876 8832 1 14 . 1 1 9 9 HIS N N 9 118.064 118.064 118.158 -0.094 19876 8833 1 14 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.727 -0.445 19876 8834 1 14 . 1 1 9 9 HIS C C 9 176.264 176.264 177.343 -1.079 19876 8835 1 14 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.447 -0.404 19876 8836 1 14 . 1 1 9 9 HIS CB C 9 30.389 30.389 30.546 -0.157 19876 8837 1 14 . 1 1 9 9 HIS H H 9 7.291 7.291 8.387 -1.096 19876 8838 1 14 . 1 1 10 10 ASP N N 10 122.089 122.089 121.492 0.597 19876 8839 1 14 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.719 -0.136 19876 8840 1 14 . 1 1 10 10 ASP C C 10 177.261 177.261 178.837 -1.576 19876 8841 1 14 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.144 -0.272 19876 8842 1 14 . 1 1 10 10 ASP CB C 10 40.569 40.569 41.269 -0.700 19876 8843 1 14 . 1 1 10 10 ASP H H 10 8.221 8.221 8.814 -0.593 19876 8844 1 14 . 1 1 11 11 VAL N N 11 119.318 119.318 121.084 -1.766 19876 8845 1 14 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.047 -0.560 19876 8846 1 14 . 1 1 11 11 VAL C C 11 175.661 175.661 177.826 -2.165 19876 8847 1 14 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.694 0.185 19876 8848 1 14 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.434 -0.008 19876 8849 1 14 . 1 1 11 11 VAL H H 11 8.850 8.850 8.753 0.097 19876 8850 1 14 . 1 1 12 12 ALA N N 12 121.749 121.749 122.080 -0.331 19876 8851 1 14 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.846 -0.077 19876 8852 1 14 . 1 1 12 12 ALA C C 12 179.484 179.484 179.584 -0.100 19876 8853 1 14 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.517 -0.249 19876 8854 1 14 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.126 -0.384 19876 8855 1 14 . 1 1 12 12 ALA H H 12 7.676 7.676 7.608 0.068 19876 8856 1 14 . 1 1 13 13 GLN N N 13 119.544 119.544 118.665 0.879 19876 8857 1 14 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.954 0.053 19876 8858 1 14 . 1 1 13 13 GLN C C 13 176.075 176.075 178.488 -2.413 19876 8859 1 14 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.327 -1.095 19876 8860 1 14 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.414 -0.664 19876 8861 1 14 . 1 1 13 13 GLN H H 13 8.151 8.151 8.607 -0.456 19876 8862 1 14 . 1 1 14 14 LEU N N 14 121.127 121.127 120.386 0.741 19876 8863 1 14 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.132 -0.576 19876 8864 1 14 . 1 1 14 14 LEU C C 14 176.935 176.935 178.665 -1.730 19876 8865 1 14 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.538 -0.814 19876 8866 1 14 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.354 0.333 19876 8867 1 14 . 1 1 14 14 LEU H H 14 7.889 7.889 8.698 -0.809 19876 8868 1 14 . 1 1 15 15 LYS N N 15 120.458 120.458 118.127 2.331 19876 8869 1 14 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.463 0.199 19876 8870 1 14 . 1 1 15 15 LYS C C 15 176.022 176.022 178.589 -2.567 19876 8871 1 14 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.572 1.466 19876 8872 1 14 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.179 1.032 19876 8873 1 14 . 1 1 15 15 LYS H H 15 8.174 8.174 7.559 0.615 19876 8874 1 14 . 1 1 16 16 PHE N N 16 119.257 119.257 123.044 -3.787 19876 8875 1 14 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.433 -0.246 19876 8876 1 14 . 1 1 16 16 PHE C C 16 177.917 177.917 178.240 -0.323 19876 8877 1 14 . 1 1 16 16 PHE CA C 16 60.330 60.330 59.408 0.922 19876 8878 1 14 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.623 -0.129 19876 8879 1 14 . 1 1 16 16 PHE H H 16 7.855 7.855 8.719 -0.864 19876 8880 1 14 . 1 1 17 17 LEU N N 17 121.489 121.489 119.660 1.829 19876 8881 1 14 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.906 -0.308 19876 8882 1 14 . 1 1 17 17 LEU C C 17 177.988 177.988 179.196 -1.208 19876 8883 1 14 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.528 -0.566 19876 8884 1 14 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.456 1.242 19876 8885 1 14 . 1 1 17 17 LEU H H 17 8.560 8.560 8.938 -0.378 19876 8886 1 14 . 1 1 18 18 CYS N N 18 116.216 116.216 119.018 -2.802 19876 8887 1 14 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.236 -0.001 19876 8888 1 14 . 1 1 18 18 CYS C C 18 176.987 176.987 177.445 -0.458 19876 8889 1 14 . 1 1 18 18 CYS CA C 18 65.574 65.574 64.207 1.367 19876 8890 1 14 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.376 0.928 19876 8891 1 14 . 1 1 18 18 CYS H H 18 8.194 8.194 8.023 0.171 19876 8892 1 14 . 1 1 19 19 GLU N N 19 123.947 123.947 120.750 3.197 19876 8893 1 14 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.196 -0.311 19876 8894 1 14 . 1 1 19 19 GLU C C 19 176.436 176.436 179.350 -2.914 19876 8895 1 14 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.898 -0.011 19876 8896 1 14 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.289 -0.008 19876 8897 1 14 . 1 1 19 19 GLU H H 19 8.842 8.842 8.946 -0.104 19876 8898 1 14 . 1 1 20 20 SER N N 20 116.500 116.500 116.422 0.078 19876 8899 1 14 . 1 1 20 20 SER HA H 20 4.056 4.056 4.231 -0.175 19876 8900 1 14 . 1 1 20 20 SER C C 20 174.835 174.835 176.917 -2.082 19876 8901 1 14 . 1 1 20 20 SER CA C 20 61.729 61.729 61.488 0.241 19876 8902 1 14 . 1 1 20 20 SER CB C 20 62.360 62.360 63.328 -0.968 19876 8903 1 14 . 1 1 20 20 SER H H 20 8.198 8.198 8.562 -0.364 19876 8904 1 14 . 1 1 21 21 LEU N N 21 121.186 121.186 123.313 -2.127 19876 8905 1 14 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.092 -0.181 19876 8906 1 14 . 1 1 21 21 LEU C C 21 175.905 175.905 178.323 -2.418 19876 8907 1 14 . 1 1 21 21 LEU CA C 21 57.953 57.953 57.998 -0.045 19876 8908 1 14 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.728 -0.119 19876 8909 1 14 . 1 1 21 21 LEU H H 21 7.970 7.970 8.490 -0.520 19876 8910 1 14 . 1 1 22 22 TYR N N 22 119.690 119.690 120.760 -1.070 19876 8911 1 14 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.362 -0.044 19876 8912 1 14 . 1 1 22 22 TYR C C 22 175.453 175.453 178.211 -2.758 19876 8913 1 14 . 1 1 22 22 TYR CA C 22 62.240 62.240 61.779 0.461 19876 8914 1 14 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.073 -0.930 19876 8915 1 14 . 1 1 22 22 TYR H H 22 7.473 7.473 9.101 -1.628 19876 8916 1 14 . 1 1 23 23 ASP N N 23 118.291 118.291 118.304 -0.013 19876 8917 1 14 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.593 -0.546 19876 8918 1 14 . 1 1 23 23 ASP C C 23 178.796 178.796 178.628 0.168 19876 8919 1 14 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.209 -0.924 19876 8920 1 14 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.179 -1.296 19876 8921 1 14 . 1 1 23 23 ASP H H 23 8.249 8.249 8.056 0.193 19876 8922 1 14 . 1 1 24 24 GLU N N 24 120.605 120.605 120.133 0.472 19876 8923 1 14 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.928 0.003 19876 8924 1 14 . 1 1 24 24 GLU C C 24 178.457 178.457 179.523 -1.066 19876 8925 1 14 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.302 -0.741 19876 8926 1 14 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.467 -0.545 19876 8927 1 14 . 1 1 24 24 GLU H H 24 8.347 8.347 8.588 -0.241 19876 8928 1 14 . 1 1 25 25 GLY N N 25 111.777 111.777 108.790 2.987 19876 8929 1 14 . 1 1 25 25 GLY C C 25 173.906 173.906 176.198 -2.292 19876 8930 1 14 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.312 0.156 19876 8931 1 14 . 1 1 25 25 GLY H H 25 8.701 8.701 9.031 -0.330 19876 8932 1 14 . 1 1 26 26 ILE N N 26 122.263 122.263 123.736 -1.473 19876 8933 1 14 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.799 -0.042 19876 8934 1 14 . 1 1 26 26 ILE C C 26 178.116 178.116 178.314 -0.198 19876 8935 1 14 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.242 -1.011 19876 8936 1 14 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.925 -1.236 19876 8937 1 14 . 1 1 26 26 ILE H H 26 8.717 8.717 8.076 0.641 19876 8938 1 14 . 1 1 27 27 ALA N N 27 122.092 122.092 122.330 -0.238 19876 8939 1 14 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.106 -0.146 19876 8940 1 14 . 1 1 27 27 ALA C C 27 178.428 178.428 179.504 -1.076 19876 8941 1 14 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.619 -1.126 19876 8942 1 14 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.532 -0.482 19876 8943 1 14 . 1 1 27 27 ALA H H 27 7.672 7.672 8.778 -1.106 19876 8944 1 14 . 1 1 28 28 THR N N 28 115.031 115.031 114.890 0.141 19876 8945 1 14 . 1 1 28 28 THR HA H 28 3.734 3.734 4.343 -0.609 19876 8946 1 14 . 1 1 28 28 THR C C 28 174.403 174.403 177.033 -2.630 19876 8947 1 14 . 1 1 28 28 THR CA C 28 65.750 65.750 66.376 -0.626 19876 8948 1 14 . 1 1 28 28 THR CB C 28 68.530 68.530 69.198 -0.668 19876 8949 1 14 . 1 1 28 28 THR H H 28 7.554 7.554 7.821 -0.267 19876 8950 1 14 . 1 1 29 29 LEU N N 29 121.356 121.356 121.867 -0.511 19876 8951 1 14 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.120 -0.310 19876 8952 1 14 . 1 1 29 29 LEU C C 29 176.694 176.694 178.665 -1.971 19876 8953 1 14 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.303 -0.809 19876 8954 1 14 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.536 0.643 19876 8955 1 14 . 1 1 29 29 LEU H H 29 7.580 7.580 9.043 -1.463 19876 8956 1 14 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.992 -0.089 19876 8957 1 14 . 1 1 31 31 ASP N N 31 119.983 119.983 119.946 0.037 19876 8958 1 14 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.833 -0.270 19876 8959 1 14 . 1 1 31 31 ASP C C 31 175.609 175.609 174.955 0.654 19876 8960 1 14 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.381 0.502 19876 8961 1 14 . 1 1 31 31 ASP CB C 31 41.558 41.558 43.485 -1.927 19876 8962 1 14 . 1 1 31 31 ASP H H 31 8.017 8.017 7.654 0.363 19876 8963 1 14 . 1 1 32 32 SER N N 32 118.027 118.027 122.376 -4.349 19876 8964 1 14 . 1 1 32 32 SER HA H 32 4.191 4.191 4.468 -0.277 19876 8965 1 14 . 1 1 32 32 SER C C 32 178.747 178.747 175.049 3.698 19876 8966 1 14 . 1 1 32 32 SER CA C 32 59.247 59.247 58.640 0.607 19876 8967 1 14 . 1 1 32 32 SER CB C 32 63.224 63.224 62.605 0.619 19876 8968 1 14 . 1 1 32 32 SER H H 32 8.284 8.284 8.790 -0.506 19876 8969 1 14 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.450 -0.105 19876 8970 1 14 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.415 -2.386 19876 8971 1 14 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.830 -0.271 19876 8972 1 14 . 1 1 34 34 HIS N N 34 117.885 117.885 115.600 2.285 19876 8973 1 14 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.618 -0.134 19876 8974 1 14 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.605 0.342 19876 8975 1 14 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.030 -0.263 19876 8976 1 14 . 1 1 34 34 HIS H H 34 7.896 7.896 7.992 -0.096 19876 8977 1 14 . 1 1 35 35 GLY N N 35 108.681 108.681 107.536 1.145 19876 8978 1 14 . 1 1 35 35 GLY C C 35 172.466 172.466 174.012 -1.546 19876 8979 1 14 . 1 1 35 35 GLY CA C 35 45.299 45.299 46.444 -1.145 19876 8980 1 14 . 1 1 35 35 GLY H H 35 7.864 7.864 8.732 -0.868 19876 8981 1 14 . 1 1 36 36 TRP N N 36 120.973 120.973 117.151 3.822 19876 8982 1 14 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.736 -0.242 19876 8983 1 14 . 1 1 36 36 TRP C C 36 174.594 174.594 174.835 -0.241 19876 8984 1 14 . 1 1 36 36 TRP CA C 36 57.866 57.866 59.168 -1.302 19876 8985 1 14 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.735 -1.148 19876 8986 1 14 . 1 1 36 36 TRP H H 36 7.809 7.809 7.618 0.191 19876 8987 1 14 . 1 1 37 37 VAL N N 37 122.778 122.778 115.454 7.324 19876 8988 1 14 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.585 -0.798 19876 8989 1 14 . 1 1 37 37 VAL C C 37 173.396 173.396 174.143 -0.747 19876 8990 1 14 . 1 1 37 37 VAL CA C 37 61.284 61.284 59.557 1.726 19876 8991 1 14 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.649 -0.115 19876 8992 1 14 . 1 1 37 37 VAL H H 37 7.712 7.712 7.845 -0.133 19876 8993 1 14 . 1 1 38 38 ASN N N 38 121.869 121.869 120.372 1.497 19876 8994 1 14 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.797 -0.562 19876 8995 1 14 . 1 1 38 38 ASN C C 38 172.186 172.186 173.825 -1.639 19876 8996 1 14 . 1 1 38 38 ASN CA C 38 54.070 54.070 51.752 2.318 19876 8997 1 14 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.944 0.685 19876 8998 1 14 . 1 1 38 38 ASN H H 38 7.768 7.768 8.797 -1.029 19876 8999 1 14 . 1 1 39 39 ASP N N 39 123.332 123.332 127.084 -3.752 19876 9000 1 14 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.182 0.677 19876 9001 1 14 . 1 1 39 39 ASP C C 39 173.301 173.301 175.887 -2.586 19876 9002 1 14 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.096 -2.236 19876 9003 1 14 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.228 0.479 19876 9004 1 14 . 1 1 39 39 ASP H H 39 8.300 8.300 8.211 0.089 19876 9005 1 14 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.206 -0.050 19876 9006 1 14 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.748 -0.814 19876 9007 1 14 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.057 0.835 19876 9008 1 14 . 1 1 41 41 THR N N 41 107.824 107.824 106.347 1.477 19876 9009 1 14 . 1 1 41 41 THR HA H 41 4.191 4.191 4.346 -0.155 19876 9010 1 14 . 1 1 41 41 THR C C 41 173.405 173.405 174.693 -1.288 19876 9011 1 14 . 1 1 41 41 THR CA C 41 61.283 61.283 60.250 1.033 19876 9012 1 14 . 1 1 41 41 THR CB C 41 69.351 69.351 69.083 0.268 19876 9013 1 14 . 1 1 41 41 THR H H 41 7.923 7.923 7.625 0.298 19876 9014 1 14 . 1 1 42 42 SER N N 42 118.745 118.745 117.688 1.057 19876 9015 1 14 . 1 1 42 42 SER HA H 42 4.187 4.187 4.424 -0.237 19876 9016 1 14 . 1 1 42 42 SER C C 42 172.750 172.750 175.802 -3.052 19876 9017 1 14 . 1 1 42 42 SER CA C 42 58.320 58.320 57.610 0.710 19876 9018 1 14 . 1 1 42 42 SER CB C 42 64.569 64.569 64.701 -0.132 19876 9019 1 14 . 1 1 42 42 SER H H 42 7.705 7.705 7.528 0.177 19876 9020 1 14 . 1 1 43 43 ALA N N 43 124.591 124.591 127.863 -3.272 19876 9021 1 14 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.916 0.044 19876 9022 1 14 . 1 1 43 43 ALA C C 43 178.795 178.795 179.125 -0.330 19876 9023 1 14 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.395 -0.259 19876 9024 1 14 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.059 0.085 19876 9025 1 14 . 1 1 43 43 ALA H H 43 8.540 8.540 8.831 -0.291 19876 9026 1 14 . 1 1 44 44 VAL N N 44 115.734 115.734 115.937 -0.203 19876 9027 1 14 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.375 0.344 19876 9028 1 14 . 1 1 44 44 VAL C C 44 176.057 176.057 177.414 -1.357 19876 9029 1 14 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.694 -0.992 19876 9030 1 14 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.017 0.718 19876 9031 1 14 . 1 1 44 44 VAL H H 44 7.836 7.836 7.366 0.470 19876 9032 1 14 . 1 1 45 45 ASN N N 45 123.038 123.038 118.846 4.192 19876 9033 1 14 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.057 -0.013 19876 9034 1 14 . 1 1 45 45 ASN C C 45 176.022 176.022 177.760 -1.738 19876 9035 1 14 . 1 1 45 45 ASN CA C 45 56.835 56.835 55.852 0.983 19876 9036 1 14 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.167 -0.446 19876 9037 1 14 . 1 1 45 45 ASN H H 45 7.709 7.709 7.400 0.309 19876 9038 1 14 . 1 1 46 46 LEU N N 46 122.005 122.005 120.719 1.286 19876 9039 1 14 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.798 0.128 19876 9040 1 14 . 1 1 46 46 LEU C C 46 178.192 178.192 179.188 -0.996 19876 9041 1 14 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.401 -0.358 19876 9042 1 14 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.552 -0.722 19876 9043 1 14 . 1 1 46 46 LEU H H 46 8.239 8.239 8.780 -0.541 19876 9044 1 14 . 1 1 47 47 GLN N N 47 119.394 119.394 117.937 1.457 19876 9045 1 14 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.803 0.168 19876 9046 1 14 . 1 1 47 47 GLN C C 47 177.762 177.762 178.665 -0.903 19876 9047 1 14 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.259 -0.568 19876 9048 1 14 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.734 -0.607 19876 9049 1 14 . 1 1 47 47 GLN H H 47 7.825 7.825 8.175 -0.350 19876 9050 1 14 . 1 1 48 48 LEU N N 48 122.808 122.808 119.032 3.776 19876 9051 1 14 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.770 -0.027 19876 9052 1 14 . 1 1 48 48 LEU C C 48 177.366 177.366 178.719 -1.353 19876 9053 1 14 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.142 0.132 19876 9054 1 14 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.782 0.677 19876 9055 1 14 . 1 1 48 48 LEU H H 48 7.625 7.625 8.526 -0.901 19876 9056 1 14 . 1 1 49 49 ASN N N 49 117.784 117.784 117.231 0.553 19876 9057 1 14 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.329 -0.043 19876 9058 1 14 . 1 1 49 49 ASN C C 49 176.893 176.893 176.846 0.047 19876 9059 1 14 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.552 -0.416 19876 9060 1 14 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.168 -0.558 19876 9061 1 14 . 1 1 49 49 ASN H H 49 7.797 7.797 8.581 -0.784 19876 9062 1 14 . 1 1 50 50 ASP N N 50 120.887 120.887 121.535 -0.648 19876 9063 1 14 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.447 -0.143 19876 9064 1 14 . 1 1 50 50 ASP C C 50 177.452 177.452 178.263 -0.811 19876 9065 1 14 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.612 -0.225 19876 9066 1 14 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.266 -0.676 19876 9067 1 14 . 1 1 50 50 ASP H H 50 7.868 7.868 8.205 -0.337 19876 9068 1 14 . 1 1 51 51 LEU N N 51 123.117 123.117 119.350 3.767 19876 9069 1 14 . 1 1 51 51 LEU HA H 51 4.158 4.158 4.098 0.060 19876 9070 1 14 . 1 1 51 51 LEU C C 51 177.345 177.345 179.111 -1.766 19876 9071 1 14 . 1 1 51 51 LEU CA C 51 57.964 57.964 57.890 0.074 19876 9072 1 14 . 1 1 51 51 LEU CB C 51 41.001 41.001 40.877 0.124 19876 9073 1 14 . 1 1 51 51 LEU H H 51 7.627 7.627 8.478 -0.851 19876 9074 1 14 . 1 1 52 52 ILE N N 52 120.007 120.007 120.937 -0.930 19876 9075 1 14 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.557 -0.190 19876 9076 1 14 . 1 1 52 52 ILE C C 52 176.246 176.246 178.141 -1.895 19876 9077 1 14 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.470 0.550 19876 9078 1 14 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.510 0.672 19876 9079 1 14 . 1 1 52 52 ILE H H 52 8.309 8.309 8.663 -0.354 19876 9080 1 14 . 1 1 53 53 GLU N N 53 117.619 117.619 118.593 -0.974 19876 9081 1 14 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.956 -0.025 19876 9082 1 14 . 1 1 53 53 GLU C C 53 178.193 178.193 178.873 -0.680 19876 9083 1 14 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.683 -0.230 19876 9084 1 14 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.534 -0.186 19876 9085 1 14 . 1 1 53 53 GLU H H 53 7.965 7.965 7.765 0.200 19876 9086 1 14 . 1 1 54 54 HIS N N 54 120.335 120.335 121.040 -0.705 19876 9087 1 14 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.243 0.069 19876 9088 1 14 . 1 1 54 54 HIS C C 54 177.331 177.331 178.028 -0.697 19876 9089 1 14 . 1 1 54 54 HIS CA C 54 59.562 59.562 60.046 -0.484 19876 9090 1 14 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.976 0.221 19876 9091 1 14 . 1 1 54 54 HIS H H 54 8.117 8.117 8.601 -0.484 19876 9092 1 14 . 1 1 55 55 ILE N N 55 120.694 120.694 119.097 1.597 19876 9093 1 14 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.759 -0.320 19876 9094 1 14 . 1 1 55 55 ILE C C 55 176.281 176.281 177.804 -1.523 19876 9095 1 14 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.302 0.649 19876 9096 1 14 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.787 -0.758 19876 9097 1 14 . 1 1 55 55 ILE H H 55 8.655 8.655 8.856 -0.201 19876 9098 1 14 . 1 1 56 56 ALA N N 56 123.896 123.896 123.725 0.171 19876 9099 1 14 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.830 -0.069 19876 9100 1 14 . 1 1 56 56 ALA C C 56 179.581 179.581 179.517 0.064 19876 9101 1 14 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.680 -0.068 19876 9102 1 14 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.078 -0.429 19876 9103 1 14 . 1 1 56 56 ALA H H 56 9.063 9.063 8.570 0.493 19876 9104 1 14 . 1 1 57 57 SER N N 57 114.014 114.014 115.068 -1.054 19876 9105 1 14 . 1 1 57 57 SER HA H 57 4.165 4.165 4.155 0.010 19876 9106 1 14 . 1 1 57 57 SER C C 57 175.540 175.540 176.669 -1.129 19876 9107 1 14 . 1 1 57 57 SER CA C 57 61.491 61.491 61.497 -0.006 19876 9108 1 14 . 1 1 57 57 SER CB C 57 62.640 62.640 62.534 0.106 19876 9109 1 14 . 1 1 57 57 SER H H 57 7.918 7.918 8.503 -0.585 19876 9110 1 14 . 1 1 58 58 PHE N N 58 125.013 125.013 124.309 0.704 19876 9111 1 14 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.368 -0.350 19876 9112 1 14 . 1 1 58 58 PHE C C 58 177.343 177.343 177.001 0.342 19876 9113 1 14 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.721 0.955 19876 9114 1 14 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.054 0.130 19876 9115 1 14 . 1 1 58 58 PHE H H 58 8.024 8.024 7.704 0.320 19876 9116 1 14 . 1 1 59 59 VAL N N 59 120.373 120.373 120.698 -0.325 19876 9117 1 14 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.221 0.436 19876 9118 1 14 . 1 1 59 59 VAL C C 59 175.403 175.403 177.644 -2.241 19876 9119 1 14 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.284 -1.182 19876 9120 1 14 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.465 -0.027 19876 9121 1 14 . 1 1 59 59 VAL H H 59 9.263 9.263 8.863 0.400 19876 9122 1 14 . 1 1 60 60 MET N N 60 120.360 120.360 119.308 1.052 19876 9123 1 14 . 1 1 60 60 MET HA H 60 4.002 4.002 3.790 0.212 19876 9124 1 14 . 1 1 60 60 MET C C 60 177.417 177.417 178.212 -0.795 19876 9125 1 14 . 1 1 60 60 MET CA C 60 59.396 59.396 59.267 0.129 19876 9126 1 14 . 1 1 60 60 MET CB C 60 31.986 31.986 32.463 -0.477 19876 9127 1 14 . 1 1 60 60 MET H H 60 7.826 7.826 8.799 -0.973 19876 9128 1 14 . 1 1 61 61 SER N N 61 113.289 113.289 115.310 -2.021 19876 9129 1 14 . 1 1 61 61 SER HA H 61 4.035 4.035 3.889 0.146 19876 9130 1 14 . 1 1 61 61 SER CA C 61 61.619 61.619 61.817 -0.198 19876 9131 1 14 . 1 1 61 61 SER CB C 61 62.600 62.600 62.850 -0.250 19876 9132 1 14 . 1 1 61 61 SER H H 61 7.230 7.230 8.085 -0.855 19876 9133 1 14 . 1 1 62 62 PHE N N 62 126.395 126.395 123.442 2.953 19876 9134 1 14 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.944 -0.303 19876 9135 1 14 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.680 0.264 19876 9136 1 14 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.875 1.587 19876 9137 1 14 . 1 1 62 62 PHE H H 62 8.681 8.681 8.597 0.084 19876 9138 1 14 . 1 1 63 63 LYS N N 63 116.676 116.676 117.328 -0.652 19876 9139 1 14 . 1 1 63 63 LYS HA H 63 4.032 4.032 3.295 0.737 19876 9140 1 14 . 1 1 63 63 LYS C C 63 177.262 177.262 177.863 -0.601 19876 9141 1 14 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.402 0.286 19876 9142 1 14 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.680 1.169 19876 9143 1 14 . 1 1 63 63 LYS H H 63 8.585 8.585 8.636 -0.051 19876 9144 1 14 . 1 1 64 64 ILE N N 64 117.020 117.020 117.540 -0.520 19876 9145 1 14 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.783 -0.260 19876 9146 1 14 . 1 1 64 64 ILE C C 64 176.151 176.151 177.081 -0.930 19876 9147 1 14 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.755 -0.762 19876 9148 1 14 . 1 1 64 64 ILE CB C 64 38.177 38.177 38.138 0.039 19876 9149 1 14 . 1 1 64 64 ILE H H 64 6.751 6.751 7.312 -0.561 19876 9150 1 14 . 1 1 65 65 LYS N N 65 120.165 120.165 117.471 2.694 19876 9151 1 14 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.434 -0.995 19876 9152 1 14 . 1 1 65 65 LYS C C 65 175.133 175.133 177.353 -2.220 19876 9153 1 14 . 1 1 65 65 LYS CA C 65 58.955 58.955 56.168 2.787 19876 9154 1 14 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.818 0.139 19876 9155 1 14 . 1 1 65 65 LYS H H 65 7.058 7.058 7.754 -0.696 19876 9156 1 14 . 1 1 66 66 TYR N N 66 115.421 115.421 123.554 -8.133 19876 9157 1 14 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.427 0.461 19876 9158 1 14 . 1 1 66 66 TYR C C 66 173.061 173.061 174.308 -1.247 19876 9159 1 14 . 1 1 66 66 TYR CA C 66 54.529 54.529 56.043 -1.514 19876 9160 1 14 . 1 1 66 66 TYR CB C 66 36.669 36.669 36.842 -0.173 19876 9161 1 14 . 1 1 66 66 TYR H H 66 7.784 7.784 8.187 -0.403 19876 9162 1 14 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.257 0.100 19876 9163 1 14 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.633 0.877 19876 9164 1 14 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.254 -0.349 19876 9165 1 14 . 1 1 68 68 ASP N N 68 117.110 117.110 116.608 0.502 19876 9166 1 14 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.625 0.102 19876 9167 1 14 . 1 1 68 68 ASP C C 68 175.024 175.024 175.667 -0.643 19876 9168 1 14 . 1 1 68 68 ASP CA C 68 54.743 54.743 53.928 0.815 19876 9169 1 14 . 1 1 68 68 ASP CB C 68 40.494 40.494 41.246 -0.752 19876 9170 1 14 . 1 1 68 68 ASP H H 68 8.548 8.548 8.247 0.301 19876 9171 1 14 . 1 1 69 69 ASP N N 69 122.994 122.994 117.021 5.973 19876 9172 1 14 . 1 1 69 69 ASP HA H 69 4.991 4.991 3.993 0.998 19876 9173 1 14 . 1 1 69 69 ASP C C 69 174.782 174.782 177.895 -3.113 19876 9174 1 14 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.529 0.786 19876 9175 1 14 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.281 -0.118 19876 9176 1 14 . 1 1 69 69 ASP H H 69 7.545 7.545 8.016 -0.471 19876 9177 1 14 . 1 1 70 70 GLY N N 70 107.712 107.712 109.109 -1.397 19876 9178 1 14 . 1 1 70 70 GLY C C 70 173.987 173.987 175.605 -1.618 19876 9179 1 14 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.694 -0.362 19876 9180 1 14 . 1 1 70 70 GLY H H 70 7.879 7.879 8.375 -0.496 19876 9181 1 14 . 1 1 71 71 ASP N N 71 119.785 119.785 120.832 -1.047 19876 9182 1 14 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.570 -0.375 19876 9183 1 14 . 1 1 71 71 ASP C C 71 177.114 177.114 178.253 -1.139 19876 9184 1 14 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.016 0.036 19876 9185 1 14 . 1 1 71 71 ASP CB C 71 39.345 39.345 41.000 -1.655 19876 9186 1 14 . 1 1 71 71 ASP H H 71 8.447 8.447 8.132 0.315 19876 9187 1 14 . 1 1 72 72 LEU N N 72 119.776 119.776 120.655 -0.879 19876 9188 1 14 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.898 -0.031 19876 9189 1 14 . 1 1 72 72 LEU C C 72 176.531 176.531 178.038 -1.507 19876 9190 1 14 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.580 -0.128 19876 9191 1 14 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.477 0.258 19876 9192 1 14 . 1 1 72 72 LEU H H 72 7.562 7.562 7.670 -0.108 19876 9193 1 14 . 1 1 73 73 SER N N 73 113.964 113.964 116.049 -2.085 19876 9194 1 14 . 1 1 73 73 SER HA H 73 3.605 3.605 3.917 -0.312 19876 9195 1 14 . 1 1 73 73 SER C C 73 174.610 174.610 176.510 -1.900 19876 9196 1 14 . 1 1 73 73 SER CA C 73 62.161 62.161 61.858 0.302 19876 9197 1 14 . 1 1 73 73 SER CB C 73 62.158 62.158 62.759 -0.601 19876 9198 1 14 . 1 1 73 73 SER H H 73 8.050 8.050 8.605 -0.555 19876 9199 1 14 . 1 1 74 74 GLU N N 74 119.742 119.742 123.402 -3.660 19876 9200 1 14 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.033 0.038 19876 9201 1 14 . 1 1 74 74 GLU C C 74 178.089 178.089 179.014 -0.925 19876 9202 1 14 . 1 1 74 74 GLU CA C 74 59.102 59.102 58.959 0.144 19876 9203 1 14 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.322 -0.109 19876 9204 1 14 . 1 1 74 74 GLU H H 74 8.623 8.623 8.295 0.328 19876 9205 1 14 . 1 1 75 75 LEU N N 75 122.325 122.325 122.293 0.032 19876 9206 1 14 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.083 0.160 19876 9207 1 14 . 1 1 75 75 LEU C C 75 177.962 177.962 178.937 -0.975 19876 9208 1 14 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.335 0.045 19876 9209 1 14 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.643 -0.239 19876 9210 1 14 . 1 1 75 75 LEU H H 75 7.255 7.255 8.306 -1.051 19876 9211 1 14 . 1 1 76 76 VAL N N 76 119.514 119.514 120.088 -0.574 19876 9212 1 14 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.560 0.027 19876 9213 1 14 . 1 1 76 76 VAL C C 76 176.909 176.909 178.196 -1.287 19876 9214 1 14 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.319 -0.059 19876 9215 1 14 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.363 -0.419 19876 9216 1 14 . 1 1 76 76 VAL H H 76 8.235 8.235 8.696 -0.461 19876 9217 1 14 . 1 1 77 77 GLU N N 77 118.692 118.692 119.859 -1.167 19876 9218 1 14 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.883 -0.144 19876 9219 1 14 . 1 1 77 77 GLU C C 77 177.692 177.692 179.087 -1.395 19876 9220 1 14 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.076 0.931 19876 9221 1 14 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.124 0.033 19876 9222 1 14 . 1 1 77 77 GLU H H 77 8.204 8.204 8.549 -0.345 19876 9223 1 14 . 1 1 78 78 GLU N N 78 121.945 121.945 120.394 1.551 19876 9224 1 14 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.071 -0.043 19876 9225 1 14 . 1 1 78 78 GLU C C 78 176.559 176.559 178.918 -2.359 19876 9226 1 14 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.921 -0.347 19876 9227 1 14 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.570 0.315 19876 9228 1 14 . 1 1 78 78 GLU H H 78 8.058 8.058 8.503 -0.445 19876 9229 1 14 . 1 1 79 79 TYR N N 79 119.945 119.945 120.728 -0.783 19876 9230 1 14 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.196 0.204 19876 9231 1 14 . 1 1 79 79 TYR C C 79 178.365 178.365 178.150 0.215 19876 9232 1 14 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.358 -0.258 19876 9233 1 14 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.380 0.258 19876 9234 1 14 . 1 1 79 79 TYR H H 79 8.347 8.347 8.614 -0.267 19876 9235 1 14 . 1 1 80 80 LEU N N 80 123.586 123.586 119.339 4.247 19876 9236 1 14 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.876 -0.227 19876 9237 1 14 . 1 1 80 80 LEU C C 80 177.594 177.594 179.365 -1.771 19876 9238 1 14 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.428 0.251 19876 9239 1 14 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.165 -0.523 19876 9240 1 14 . 1 1 80 80 LEU H H 80 9.113 9.113 9.070 0.043 19876 9241 1 14 . 1 1 81 81 ASP N N 81 121.522 121.522 119.284 2.238 19876 9242 1 14 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.356 0.050 19876 9243 1 14 . 1 1 81 81 ASP C C 81 178.021 178.021 178.626 -0.605 19876 9244 1 14 . 1 1 81 81 ASP CA C 81 57.689 57.689 57.933 -0.244 19876 9245 1 14 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.677 -0.035 19876 9246 1 14 . 1 1 81 81 ASP H H 81 8.228 8.228 8.709 -0.481 19876 9247 1 14 . 1 1 82 82 ASP N N 82 120.931 120.931 119.590 1.341 19876 9248 1 14 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.496 -0.074 19876 9249 1 14 . 1 1 82 82 ASP C C 82 178.342 178.342 178.720 -0.378 19876 9250 1 14 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.675 0.232 19876 9251 1 14 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.976 -0.143 19876 9252 1 14 . 1 1 82 82 ASP H H 82 9.139 9.139 8.673 0.466 19876 9253 1 14 . 1 1 83 83 THR N N 83 118.686 118.686 117.230 1.456 19876 9254 1 14 . 1 1 83 83 THR HA H 83 3.415 3.415 3.509 -0.094 19876 9255 1 14 . 1 1 83 83 THR C C 83 173.663 173.663 176.424 -2.761 19876 9256 1 14 . 1 1 83 83 THR CA C 83 67.258 67.258 66.772 0.486 19876 9257 1 14 . 1 1 83 83 THR CB C 83 68.017 68.017 68.591 -0.574 19876 9258 1 14 . 1 1 83 83 THR H H 83 8.394 8.394 8.946 -0.552 19876 9259 1 14 . 1 1 84 84 TYR N N 84 122.004 122.004 122.950 -0.946 19876 9260 1 14 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.097 -0.354 19876 9261 1 14 . 1 1 84 84 TYR C C 84 177.983 177.983 177.613 0.370 19876 9262 1 14 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.084 0.023 19876 9263 1 14 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.401 0.050 19876 9264 1 14 . 1 1 84 84 TYR H H 84 8.561 8.561 8.908 -0.347 19876 9265 1 14 . 1 1 85 85 THR N N 85 116.249 116.249 116.195 0.054 19876 9266 1 14 . 1 1 85 85 THR HA H 85 3.409 3.409 3.700 -0.291 19876 9267 1 14 . 1 1 85 85 THR C C 85 174.628 174.628 176.545 -1.917 19876 9268 1 14 . 1 1 85 85 THR CA C 85 66.483 66.483 66.442 0.041 19876 9269 1 14 . 1 1 85 85 THR CB C 85 68.604 68.604 68.616 -0.012 19876 9270 1 14 . 1 1 85 85 THR H H 85 8.749 8.749 8.515 0.234 19876 9271 1 14 . 1 1 86 86 LEU N N 86 121.835 121.835 122.109 -0.274 19876 9272 1 14 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.739 -0.184 19876 9273 1 14 . 1 1 86 86 LEU C C 86 176.057 176.057 179.345 -3.288 19876 9274 1 14 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.853 0.153 19876 9275 1 14 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.927 0.846 19876 9276 1 14 . 1 1 86 86 LEU H H 86 7.257 7.257 8.434 -1.177 19876 9277 1 14 . 1 1 87 87 PHE N N 87 111.264 111.264 115.127 -3.863 19876 9278 1 14 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.199 -0.222 19876 9279 1 14 . 1 1 87 87 PHE C C 87 174.687 174.687 177.418 -2.731 19876 9280 1 14 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.093 0.647 19876 9281 1 14 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.897 0.534 19876 9282 1 14 . 1 1 87 87 PHE H H 87 7.168 7.168 7.843 -0.675 19876 9283 1 14 . 1 1 88 88 SER N N 88 112.848 112.848 113.034 -0.186 19876 9284 1 14 . 1 1 88 88 SER HA H 88 4.207 4.207 4.163 0.044 19876 9285 1 14 . 1 1 88 88 SER C C 88 172.760 172.760 174.399 -1.639 19876 9286 1 14 . 1 1 88 88 SER CA C 88 58.725 58.725 59.747 -1.022 19876 9287 1 14 . 1 1 88 88 SER CB C 88 63.342 63.342 63.190 0.152 19876 9288 1 14 . 1 1 88 88 SER H H 88 7.290 7.290 7.557 -0.267 19876 9289 1 14 . 1 1 89 89 SER N N 89 116.554 116.554 117.648 -1.094 19876 9290 1 14 . 1 1 89 89 SER HA H 89 4.347 4.347 4.435 -0.088 19876 9291 1 14 . 1 1 89 89 SER C C 89 172.251 172.251 174.456 -2.205 19876 9292 1 14 . 1 1 89 89 SER CA C 89 57.597 57.597 57.822 -0.225 19876 9293 1 14 . 1 1 89 89 SER CB C 89 64.426 64.426 64.027 0.399 19876 9294 1 14 . 1 1 89 89 SER H H 89 7.064 7.064 7.394 -0.330 19876 9295 1 14 . 1 1 90 90 TYR N N 90 122.348 122.348 124.054 -1.706 19876 9296 1 14 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.248 0.095 19876 9297 1 14 . 1 1 90 90 TYR C C 90 175.043 175.043 176.753 -1.710 19876 9298 1 14 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.053 -2.081 19876 9299 1 14 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.750 -1.124 19876 9300 1 14 . 1 1 90 90 TYR H H 90 8.446 8.446 8.930 -0.483 19876 9301 1 14 . 1 1 91 91 GLY N N 91 111.349 111.349 103.983 7.366 19876 9302 1 14 . 1 1 91 91 GLY C C 91 170.874 170.874 173.196 -2.322 19876 9303 1 14 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.822 0.912 19876 9304 1 14 . 1 1 91 91 GLY H H 91 7.820 7.820 8.092 -0.272 19876 9305 1 14 . 1 1 92 92 ILE N N 92 121.703 121.703 122.161 -0.458 19876 9306 1 14 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.795 0.083 19876 9307 1 14 . 1 1 92 92 ILE C C 92 173.956 173.956 176.030 -2.074 19876 9308 1 14 . 1 1 92 92 ILE CA C 92 60.127 60.127 61.044 -0.917 19876 9309 1 14 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.505 0.937 19876 9310 1 14 . 1 1 92 92 ILE H H 92 8.032 8.032 8.304 -0.272 19876 9311 1 14 . 1 1 93 93 ASN N N 93 125.791 125.791 124.469 1.322 19876 9312 1 14 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.829 0.085 19876 9313 1 14 . 1 1 93 93 ASN C C 93 173.468 173.468 175.821 -2.353 19876 9314 1 14 . 1 1 93 93 ASN CA C 93 51.442 51.442 51.927 -0.485 19876 9315 1 14 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.796 -0.649 19876 9316 1 14 . 1 1 93 93 ASN H H 93 8.423 8.423 8.085 0.338 19876 9317 1 14 . 1 1 94 94 ASP N N 94 122.019 122.019 120.840 1.179 19876 9318 1 14 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.482 0.009 19876 9319 1 14 . 1 1 94 94 ASP CA C 94 59.118 59.118 57.684 1.434 19876 9320 1 14 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.042 1.246 19876 9321 1 14 . 1 1 94 94 ASP H H 94 8.710 8.710 8.835 -0.125 19876 9322 1 14 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.172 -0.018 19876 9323 1 14 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.877 0.677 19876 9324 1 14 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.206 -0.457 19876 9325 1 14 . 1 1 96 96 GLU N N 96 117.965 117.965 117.273 0.692 19876 9326 1 14 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.004 -0.143 19876 9327 1 14 . 1 1 96 96 GLU C C 96 177.730 177.730 178.945 -1.215 19876 9328 1 14 . 1 1 96 96 GLU CA C 96 59.882 59.882 58.983 0.899 19876 9329 1 14 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.291 0.547 19876 9330 1 14 . 1 1 96 96 GLU H H 96 7.954 7.954 7.919 0.035 19876 9331 1 14 . 1 1 97 97 LEU N N 97 124.427 124.427 122.182 2.245 19876 9332 1 14 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.946 0.163 19876 9333 1 14 . 1 1 97 97 LEU C C 97 177.211 177.211 178.999 -1.788 19876 9334 1 14 . 1 1 97 97 LEU CA C 97 58.051 58.051 57.991 0.060 19876 9335 1 14 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.554 0.217 19876 9336 1 14 . 1 1 97 97 LEU H H 97 7.825 7.825 7.420 0.405 19876 9337 1 14 . 1 1 98 98 GLN N N 98 117.195 117.195 118.050 -0.855 19876 9338 1 14 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.018 -0.028 19876 9339 1 14 . 1 1 98 98 GLN C C 98 177.762 177.762 179.077 -1.315 19876 9340 1 14 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.792 -0.169 19876 9341 1 14 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.851 0.150 19876 9342 1 14 . 1 1 98 98 GLN H H 98 8.481 8.481 8.715 -0.234 19876 9343 1 14 . 1 1 99 99 ARG N N 99 119.687 119.687 119.928 -0.241 19876 9344 1 14 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.084 -0.162 19876 9345 1 14 . 1 1 99 99 ARG C C 99 176.055 176.055 178.480 -2.425 19876 9346 1 14 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.442 0.171 19876 9347 1 14 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.019 0.303 19876 9348 1 14 . 1 1 99 99 ARG H H 99 7.836 7.836 8.433 -0.597 19876 9349 1 14 . 1 1 100 100 TRP N N 100 119.762 119.762 122.772 -3.010 19876 9350 1 14 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.431 -0.202 19876 9351 1 14 . 1 1 100 100 TRP C C 100 176.004 176.004 178.377 -2.373 19876 9352 1 14 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.912 0.093 19876 9353 1 14 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.163 -0.215 19876 9354 1 14 . 1 1 100 100 TRP H H 100 7.731 7.731 8.891 -1.160 19876 9355 1 14 . 1 1 101 101 GLN N N 101 115.464 115.464 117.276 -1.812 19876 9356 1 14 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.818 -0.333 19876 9357 1 14 . 1 1 101 101 GLN C C 101 177.498 177.498 178.766 -1.268 19876 9358 1 14 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.493 -0.329 19876 9359 1 14 . 1 1 101 101 GLN CB C 101 28.082 28.082 27.970 0.112 19876 9360 1 14 . 1 1 101 101 GLN H H 101 8.277 8.277 8.772 -0.495 19876 9361 1 14 . 1 1 102 102 LYS N N 102 119.856 119.856 120.001 -0.145 19876 9362 1 14 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.991 -0.079 19876 9363 1 14 . 1 1 102 102 LYS C C 102 178.364 178.364 179.279 -0.915 19876 9364 1 14 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.638 -0.459 19876 9365 1 14 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.260 -0.435 19876 9366 1 14 . 1 1 102 102 LYS H H 102 8.047 8.047 8.297 -0.250 19876 9367 1 14 . 1 1 103 103 THR N N 103 121.217 121.217 116.308 4.909 19876 9368 1 14 . 1 1 103 103 THR HA H 103 3.658 3.658 3.889 -0.231 19876 9369 1 14 . 1 1 103 103 THR C C 103 174.266 174.266 176.030 -1.764 19876 9370 1 14 . 1 1 103 103 THR CA C 103 66.206 66.206 67.150 -0.944 19876 9371 1 14 . 1 1 103 103 THR CB C 103 67.515 67.515 68.603 -1.087 19876 9372 1 14 . 1 1 103 103 THR H H 103 8.816 8.816 8.257 0.559 19876 9373 1 14 . 1 1 104 104 LYS N N 104 122.265 122.265 121.386 0.879 19876 9374 1 14 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.290 -0.239 19876 9375 1 14 . 1 1 104 104 LYS C C 104 176.952 176.952 178.949 -1.997 19876 9376 1 14 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.448 1.072 19876 9377 1 14 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.599 -1.259 19876 9378 1 14 . 1 1 104 104 LYS H H 104 8.258 8.258 8.254 0.004 19876 9379 1 14 . 1 1 105 105 GLU N N 105 118.912 118.912 118.998 -0.086 19876 9380 1 14 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.935 -0.337 19876 9381 1 14 . 1 1 105 105 GLU C C 105 178.038 178.038 179.015 -0.977 19876 9382 1 14 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.099 0.419 19876 9383 1 14 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.858 0.174 19876 9384 1 14 . 1 1 105 105 GLU H H 105 7.963 7.963 7.967 -0.004 19876 9385 1 14 . 1 1 106 106 ARG N N 106 120.201 120.201 120.223 -0.022 19876 9386 1 14 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.956 -0.260 19876 9387 1 14 . 1 1 106 106 ARG C C 106 177.744 177.744 178.908 -1.164 19876 9388 1 14 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.136 0.858 19876 9389 1 14 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.102 0.686 19876 9390 1 14 . 1 1 106 106 ARG H H 106 7.940 7.940 7.611 0.329 19876 9391 1 14 . 1 1 107 107 LEU N N 107 120.982 120.982 119.585 1.397 19876 9392 1 14 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.735 0.010 19876 9393 1 14 . 1 1 107 107 LEU C C 107 176.173 176.173 178.943 -2.770 19876 9394 1 14 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.804 -0.367 19876 9395 1 14 . 1 1 107 107 LEU CB C 107 40.869 40.869 40.947 -0.078 19876 9396 1 14 . 1 1 107 107 LEU H H 107 8.242 8.242 8.413 -0.171 19876 9397 1 14 . 1 1 108 108 PHE N N 108 117.793 117.793 117.066 0.727 19876 9398 1 14 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.392 -0.390 19876 9399 1 14 . 1 1 108 108 PHE C C 108 177.654 177.654 177.724 -0.070 19876 9400 1 14 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.874 -0.685 19876 9401 1 14 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.302 -1.517 19876 9402 1 14 . 1 1 108 108 PHE H H 108 8.772 8.772 8.556 0.216 19876 9403 1 14 . 1 1 109 109 ARG N N 109 121.726 121.726 119.353 2.373 19876 9404 1 14 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.006 -0.000 19876 9405 1 14 . 1 1 109 109 ARG C C 109 177.785 177.785 178.484 -0.699 19876 9406 1 14 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.685 0.656 19876 9407 1 14 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.486 0.312 19876 9408 1 14 . 1 1 109 109 ARG H H 109 7.865 7.865 7.861 0.004 19876 9409 1 14 . 1 1 110 110 LEU N N 110 121.486 121.486 119.650 1.836 19876 9410 1 14 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.847 0.247 19876 9411 1 14 . 1 1 110 110 LEU C C 110 178.537 178.537 179.308 -0.771 19876 9412 1 14 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.974 -0.133 19876 9413 1 14 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.667 -0.846 19876 9414 1 14 . 1 1 110 110 LEU H H 110 7.338 7.338 7.603 -0.265 19876 9415 1 14 . 1 1 111 111 PHE N N 111 115.883 115.883 117.408 -1.525 19876 9416 1 14 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.150 0.166 19876 9417 1 14 . 1 1 111 111 PHE C C 111 175.369 175.369 177.528 -2.159 19876 9418 1 14 . 1 1 111 111 PHE CA C 111 59.079 59.079 59.484 -0.405 19876 9419 1 14 . 1 1 111 111 PHE CB C 111 38.511 38.511 37.743 0.768 19876 9420 1 14 . 1 1 111 111 PHE H H 111 7.584 7.584 8.141 -0.557 19876 9421 1 14 . 1 1 112 112 SER N N 112 111.693 111.693 113.971 -2.278 19876 9422 1 14 . 1 1 112 112 SER HA H 112 4.329 4.329 4.376 -0.047 19876 9423 1 14 . 1 1 112 112 SER C C 112 173.353 173.353 175.125 -1.772 19876 9424 1 14 . 1 1 112 112 SER CA C 112 59.050 59.050 59.514 -0.464 19876 9425 1 14 . 1 1 112 112 SER CB C 112 63.841 63.841 63.438 0.403 19876 9426 1 14 . 1 1 112 112 SER H H 112 7.554 7.554 8.127 -0.573 19876 9427 1 14 . 1 1 113 113 GLY N N 113 109.665 109.665 108.554 1.111 19876 9428 1 14 . 1 1 113 113 GLY C C 113 173.407 173.407 175.596 -2.189 19876 9429 1 14 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.266 0.109 19876 9430 1 14 . 1 1 113 113 GLY H H 113 7.781 7.781 7.825 -0.044 19876 9431 1 14 . 1 1 114 114 GLU N N 114 121.028 121.028 122.308 -1.280 19876 9432 1 14 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.600 0.402 19876 9433 1 14 . 1 1 114 114 GLU C C 114 175.971 175.971 177.787 -1.816 19876 9434 1 14 . 1 1 114 114 GLU CA C 114 58.310 58.310 59.389 -1.079 19876 9435 1 14 . 1 1 114 114 GLU CB C 114 30.164 30.164 28.901 1.263 19876 9436 1 14 . 1 1 114 114 GLU H H 114 8.414 8.414 8.493 -0.079 19876 9437 1 14 . 1 1 115 115 TYR N N 115 118.828 118.828 114.695 4.133 19876 9438 1 14 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.601 -0.289 19876 9439 1 14 . 1 1 115 115 TYR C C 115 175.248 175.248 178.692 -3.444 19876 9440 1 14 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.137 0.597 19876 9441 1 14 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.587 -0.216 19876 9442 1 14 . 1 1 115 115 TYR H H 115 7.939 7.939 7.436 0.503 19876 9443 1 14 . 1 1 116 116 ILE N N 116 120.412 120.412 120.515 -0.103 19876 9444 1 14 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.696 0.047 19876 9445 1 14 . 1 1 116 116 ILE C C 116 175.591 175.591 178.082 -2.491 19876 9446 1 14 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.353 -1.218 19876 9447 1 14 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.445 0.782 19876 9448 1 14 . 1 1 116 116 ILE H H 116 7.892 7.892 8.017 -0.125 19876 9449 1 14 . 1 1 117 117 SER N N 117 117.142 117.142 114.509 2.633 19876 9450 1 14 . 1 1 117 117 SER HA H 117 4.141 4.141 4.129 0.012 19876 9451 1 14 . 1 1 117 117 SER C C 117 174.795 174.795 175.435 -0.640 19876 9452 1 14 . 1 1 117 117 SER CA C 117 60.437 60.437 61.306 -0.869 19876 9453 1 14 . 1 1 117 117 SER CB C 117 62.987 62.987 62.454 0.533 19876 9454 1 14 . 1 1 117 117 SER H H 117 8.127 8.127 8.239 -0.112 19876 9455 1 14 . 1 1 118 118 THR N N 118 115.779 115.779 113.716 2.063 19876 9456 1 14 . 1 1 118 118 THR HA H 118 3.987 3.987 4.157 -0.170 19876 9457 1 14 . 1 1 118 118 THR C C 118 174.025 174.025 175.759 -1.734 19876 9458 1 14 . 1 1 118 118 THR CA C 118 64.026 64.026 64.190 -0.164 19876 9459 1 14 . 1 1 118 118 THR CB C 118 68.953 68.953 68.914 0.039 19876 9460 1 14 . 1 1 118 118 THR H H 118 7.872 7.872 7.612 0.260 19876 9461 1 14 . 1 1 119 119 LEU N N 119 122.845 122.845 122.443 0.402 19876 9462 1 14 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.290 -0.242 19876 9463 1 14 . 1 1 119 119 LEU C C 119 176.246 176.246 177.256 -1.010 19876 9464 1 14 . 1 1 119 119 LEU CA C 119 56.081 56.081 56.898 -0.817 19876 9465 1 14 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.628 -0.423 19876 9466 1 14 . 1 1 119 119 LEU H H 119 7.679 7.679 7.422 0.257 19876 9467 1 14 . 1 1 120 120 MET N N 120 117.447 117.447 117.173 0.274 19876 9468 1 14 . 1 1 120 120 MET HA H 120 4.243 4.243 4.356 -0.113 19876 9469 1 14 . 1 1 120 120 MET C C 120 174.594 174.594 176.374 -1.780 19876 9470 1 14 . 1 1 120 120 MET CA C 120 55.470 55.470 55.777 -0.307 19876 9471 1 14 . 1 1 120 120 MET CB C 120 32.606 32.606 29.985 2.620 19876 9472 1 14 . 1 1 120 120 MET H H 120 7.812 7.812 8.133 -0.321 19876 9473 1 14 . 1 1 121 121 LYS N N 121 121.578 121.578 120.752 0.826 19876 9474 1 14 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.329 -0.094 19876 9475 1 14 . 1 1 121 121 LYS C C 121 174.539 174.539 177.672 -3.133 19876 9476 1 14 . 1 1 121 121 LYS CA C 121 56.481 56.481 57.757 -1.276 19876 9477 1 14 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.319 -0.353 19876 9478 1 14 . 1 1 121 121 LYS H H 121 7.790 7.790 8.411 -0.621 19876 9479 1 15 . 1 1 2 2 ASP N N 2 122.949 122.949 122.470 0.479 19876 9480 1 15 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.925 -0.481 19876 9481 1 15 . 1 1 2 2 ASP C C 2 174.891 174.891 175.555 -0.664 19876 9482 1 15 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.746 -0.124 19876 9483 1 15 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.250 -0.931 19876 9484 1 15 . 1 1 2 2 ASP H H 2 8.386 8.386 8.470 -0.084 19876 9485 1 15 . 1 1 3 3 GLU N N 3 119.296 119.296 119.147 0.149 19876 9486 1 15 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.531 -0.667 19876 9487 1 15 . 1 1 3 3 GLU C C 3 175.006 175.006 176.410 -1.404 19876 9488 1 15 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.336 2.737 19876 9489 1 15 . 1 1 3 3 GLU CB C 3 29.567 29.567 30.643 -1.076 19876 9490 1 15 . 1 1 3 3 GLU H H 3 8.601 8.601 8.518 0.083 19876 9491 1 15 . 1 1 4 4 TYR N N 4 118.038 118.038 122.877 -4.839 19876 9492 1 15 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.278 0.175 19876 9493 1 15 . 1 1 4 4 TYR C C 4 174.761 174.761 175.683 -0.922 19876 9494 1 15 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.334 -2.760 19876 9495 1 15 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.945 0.050 19876 9496 1 15 . 1 1 4 4 TYR H H 4 8.049 8.049 8.744 -0.695 19876 9497 1 15 . 1 1 5 5 SER N N 5 118.519 118.519 113.050 5.469 19876 9498 1 15 . 1 1 5 5 SER HA H 5 4.444 4.444 4.890 -0.446 19876 9499 1 15 . 1 1 5 5 SER C C 5 171.907 171.907 171.949 -0.042 19876 9500 1 15 . 1 1 5 5 SER CA C 5 57.173 57.173 56.098 1.075 19876 9501 1 15 . 1 1 5 5 SER CB C 5 62.104 62.104 65.418 -3.314 19876 9502 1 15 . 1 1 5 5 SER H H 5 7.759 7.759 7.834 -0.075 19876 9503 1 15 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.351 0.093 19876 9504 1 15 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.875 0.722 19876 9505 1 15 . 1 1 6 6 PRO CB C 6 32.048 32.048 31.980 0.069 19876 9506 1 15 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.157 -0.369 19876 9507 1 15 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.122 -0.622 19876 9508 1 15 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.709 -0.128 19876 9509 1 15 . 1 1 9 9 HIS N N 9 118.064 118.064 117.342 0.722 19876 9510 1 15 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.355 -0.073 19876 9511 1 15 . 1 1 9 9 HIS C C 9 176.264 176.264 177.378 -1.114 19876 9512 1 15 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.095 -0.052 19876 9513 1 15 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.839 0.550 19876 9514 1 15 . 1 1 9 9 HIS H H 9 7.291 7.291 7.998 -0.707 19876 9515 1 15 . 1 1 10 10 ASP N N 10 122.089 122.089 120.659 1.430 19876 9516 1 15 . 1 1 10 10 ASP HA H 10 4.583 4.583 5.009 -0.426 19876 9517 1 15 . 1 1 10 10 ASP C C 10 177.261 177.261 178.997 -1.736 19876 9518 1 15 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.973 -0.101 19876 9519 1 15 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.883 -0.314 19876 9520 1 15 . 1 1 10 10 ASP H H 10 8.221 8.221 9.029 -0.808 19876 9521 1 15 . 1 1 11 11 VAL N N 11 119.318 119.318 121.289 -1.971 19876 9522 1 15 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.118 -0.631 19876 9523 1 15 . 1 1 11 11 VAL C C 11 175.661 175.661 178.223 -2.562 19876 9524 1 15 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.112 -0.233 19876 9525 1 15 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.544 -0.118 19876 9526 1 15 . 1 1 11 11 VAL H H 11 8.850 8.850 8.831 0.019 19876 9527 1 15 . 1 1 12 12 ALA N N 12 121.749 121.749 122.506 -0.757 19876 9528 1 15 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.954 -0.185 19876 9529 1 15 . 1 1 12 12 ALA C C 12 179.484 179.484 179.637 -0.153 19876 9530 1 15 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.733 -0.464 19876 9531 1 15 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.277 -0.535 19876 9532 1 15 . 1 1 12 12 ALA H H 12 7.676 7.676 8.556 -0.880 19876 9533 1 15 . 1 1 13 13 GLN N N 13 119.544 119.544 118.929 0.615 19876 9534 1 15 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.060 -0.053 19876 9535 1 15 . 1 1 13 13 GLN C C 13 176.075 176.075 178.594 -2.519 19876 9536 1 15 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.367 -1.135 19876 9537 1 15 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.487 -0.737 19876 9538 1 15 . 1 1 13 13 GLN H H 13 8.151 8.151 8.702 -0.551 19876 9539 1 15 . 1 1 14 14 LEU N N 14 121.127 121.127 121.222 -0.095 19876 9540 1 15 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.199 -0.643 19876 9541 1 15 . 1 1 14 14 LEU C C 14 176.935 176.935 178.447 -1.512 19876 9542 1 15 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.184 -0.460 19876 9543 1 15 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.641 0.046 19876 9544 1 15 . 1 1 14 14 LEU H H 14 7.889 7.889 9.039 -1.150 19876 9545 1 15 . 1 1 15 15 LYS N N 15 120.458 120.458 118.099 2.359 19876 9546 1 15 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.149 -0.487 19876 9547 1 15 . 1 1 15 15 LYS C C 15 176.022 176.022 178.842 -2.820 19876 9548 1 15 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.605 1.433 19876 9549 1 15 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.395 0.816 19876 9550 1 15 . 1 1 15 15 LYS H H 15 8.174 8.174 8.018 0.156 19876 9551 1 15 . 1 1 16 16 PHE N N 16 119.257 119.257 122.860 -3.603 19876 9552 1 15 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.070 0.117 19876 9553 1 15 . 1 1 16 16 PHE C C 16 177.917 177.917 177.180 0.737 19876 9554 1 15 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.025 -0.695 19876 9555 1 15 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.984 -0.490 19876 9556 1 15 . 1 1 16 16 PHE H H 16 7.855 7.855 8.685 -0.830 19876 9557 1 15 . 1 1 17 17 LEU N N 17 121.489 121.489 120.516 0.973 19876 9558 1 15 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.282 0.316 19876 9559 1 15 . 1 1 17 17 LEU C C 17 177.988 177.988 178.837 -0.849 19876 9560 1 15 . 1 1 17 17 LEU CA C 17 57.962 57.962 57.986 -0.024 19876 9561 1 15 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.003 1.695 19876 9562 1 15 . 1 1 17 17 LEU H H 17 8.560 8.560 8.750 -0.190 19876 9563 1 15 . 1 1 18 18 CYS N N 18 116.216 116.216 118.629 -2.413 19876 9564 1 15 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.020 0.215 19876 9565 1 15 . 1 1 18 18 CYS C C 18 176.987 176.987 177.184 -0.197 19876 9566 1 15 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.176 2.398 19876 9567 1 15 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.601 1.703 19876 9568 1 15 . 1 1 18 18 CYS H H 18 8.194 8.194 8.259 -0.065 19876 9569 1 15 . 1 1 19 19 GLU N N 19 123.947 123.947 120.651 3.296 19876 9570 1 15 . 1 1 19 19 GLU HA H 19 3.885 3.885 3.976 -0.091 19876 9571 1 15 . 1 1 19 19 GLU C C 19 176.436 176.436 179.202 -2.766 19876 9572 1 15 . 1 1 19 19 GLU CA C 19 59.886 59.886 60.108 -0.222 19876 9573 1 15 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.236 0.045 19876 9574 1 15 . 1 1 19 19 GLU H H 19 8.842 8.842 8.721 0.121 19876 9575 1 15 . 1 1 20 20 SER N N 20 116.500 116.500 116.524 -0.024 19876 9576 1 15 . 1 1 20 20 SER HA H 20 4.056 4.056 4.079 -0.023 19876 9577 1 15 . 1 1 20 20 SER C C 20 174.835 174.835 176.501 -1.666 19876 9578 1 15 . 1 1 20 20 SER CA C 20 61.729 61.729 61.995 -0.266 19876 9579 1 15 . 1 1 20 20 SER CB C 20 62.360 62.360 62.805 -0.445 19876 9580 1 15 . 1 1 20 20 SER H H 20 8.198 8.198 8.409 -0.211 19876 9581 1 15 . 1 1 21 21 LEU N N 21 121.186 121.186 122.996 -1.810 19876 9582 1 15 . 1 1 21 21 LEU HA H 21 3.911 3.911 3.928 -0.017 19876 9583 1 15 . 1 1 21 21 LEU C C 21 175.905 175.905 178.119 -2.214 19876 9584 1 15 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.106 -0.153 19876 9585 1 15 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.849 -0.240 19876 9586 1 15 . 1 1 21 21 LEU H H 21 7.970 7.970 8.411 -0.441 19876 9587 1 15 . 1 1 22 22 TYR N N 22 119.690 119.690 120.830 -1.140 19876 9588 1 15 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.489 -0.171 19876 9589 1 15 . 1 1 22 22 TYR C C 22 175.453 175.453 177.924 -2.471 19876 9590 1 15 . 1 1 22 22 TYR CA C 22 62.240 62.240 61.002 1.238 19876 9591 1 15 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.050 -0.907 19876 9592 1 15 . 1 1 22 22 TYR H H 22 7.473 7.473 9.226 -1.753 19876 9593 1 15 . 1 1 23 23 ASP N N 23 118.291 118.291 118.500 -0.209 19876 9594 1 15 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.492 -0.445 19876 9595 1 15 . 1 1 23 23 ASP C C 23 178.796 178.796 178.723 0.073 19876 9596 1 15 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.078 -0.794 19876 9597 1 15 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.910 -1.027 19876 9598 1 15 . 1 1 23 23 ASP H H 23 8.249 8.249 8.403 -0.154 19876 9599 1 15 . 1 1 24 24 GLU N N 24 120.605 120.605 119.117 1.488 19876 9600 1 15 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.943 -0.012 19876 9601 1 15 . 1 1 24 24 GLU C C 24 178.457 178.457 179.220 -0.763 19876 9602 1 15 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.224 -0.663 19876 9603 1 15 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.288 -0.366 19876 9604 1 15 . 1 1 24 24 GLU H H 24 8.347 8.347 8.488 -0.141 19876 9605 1 15 . 1 1 25 25 GLY N N 25 111.777 111.777 109.226 2.551 19876 9606 1 15 . 1 1 25 25 GLY C C 25 173.906 173.906 176.389 -2.483 19876 9607 1 15 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.254 0.214 19876 9608 1 15 . 1 1 25 25 GLY H H 25 8.701 8.701 8.934 -0.233 19876 9609 1 15 . 1 1 26 26 ILE N N 26 122.263 122.263 123.474 -1.211 19876 9610 1 15 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.746 0.011 19876 9611 1 15 . 1 1 26 26 ILE C C 26 178.116 178.116 178.276 -0.160 19876 9612 1 15 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.787 -1.556 19876 9613 1 15 . 1 1 26 26 ILE CB C 26 35.688 35.688 37.010 -1.322 19876 9614 1 15 . 1 1 26 26 ILE H H 26 8.717 8.717 8.708 0.009 19876 9615 1 15 . 1 1 27 27 ALA N N 27 122.092 122.092 122.239 -0.147 19876 9616 1 15 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.978 -0.018 19876 9617 1 15 . 1 1 27 27 ALA C C 27 178.428 178.428 179.632 -1.204 19876 9618 1 15 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.238 -0.745 19876 9619 1 15 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.447 -0.397 19876 9620 1 15 . 1 1 27 27 ALA H H 27 7.672 7.672 8.305 -0.633 19876 9621 1 15 . 1 1 28 28 THR N N 28 115.031 115.031 115.140 -0.109 19876 9622 1 15 . 1 1 28 28 THR HA H 28 3.734 3.734 4.013 -0.279 19876 9623 1 15 . 1 1 28 28 THR C C 28 174.403 174.403 176.740 -2.337 19876 9624 1 15 . 1 1 28 28 THR CA C 28 65.750 65.750 66.991 -1.241 19876 9625 1 15 . 1 1 28 28 THR CB C 28 68.530 68.530 68.557 -0.027 19876 9626 1 15 . 1 1 28 28 THR H H 28 7.554 7.554 7.838 -0.284 19876 9627 1 15 . 1 1 29 29 LEU N N 29 121.356 121.356 120.760 0.596 19876 9628 1 15 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.211 -0.401 19876 9629 1 15 . 1 1 29 29 LEU C C 29 176.694 176.694 178.526 -1.832 19876 9630 1 15 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.006 -0.512 19876 9631 1 15 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.779 0.400 19876 9632 1 15 . 1 1 29 29 LEU H H 29 7.580 7.580 8.670 -1.090 19876 9633 1 15 . 1 1 30 30 GLY CA C 30 44.903 44.903 43.749 1.154 19876 9634 1 15 . 1 1 31 31 ASP N N 31 119.983 119.983 122.511 -2.528 19876 9635 1 15 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.425 0.138 19876 9636 1 15 . 1 1 31 31 ASP C C 31 175.609 175.609 176.812 -1.203 19876 9637 1 15 . 1 1 31 31 ASP CA C 31 53.883 53.883 54.901 -1.018 19876 9638 1 15 . 1 1 31 31 ASP CB C 31 41.558 41.558 40.584 0.974 19876 9639 1 15 . 1 1 31 31 ASP H H 31 8.017 8.017 7.697 0.320 19876 9640 1 15 . 1 1 32 32 SER N N 32 118.027 118.027 120.917 -2.890 19876 9641 1 15 . 1 1 32 32 SER HA H 32 4.191 4.191 4.508 -0.317 19876 9642 1 15 . 1 1 32 32 SER C C 32 178.747 178.747 175.083 3.664 19876 9643 1 15 . 1 1 32 32 SER CA C 32 59.247 59.247 59.502 -0.255 19876 9644 1 15 . 1 1 32 32 SER CB C 32 63.224 63.224 63.501 -0.277 19876 9645 1 15 . 1 1 32 32 SER H H 32 8.284 8.284 8.648 -0.364 19876 9646 1 15 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.476 -0.131 19876 9647 1 15 . 1 1 33 33 HIS CA C 33 57.029 57.029 57.389 -0.360 19876 9648 1 15 . 1 1 33 33 HIS CB C 33 29.559 29.559 30.601 -1.042 19876 9649 1 15 . 1 1 34 34 HIS N N 34 117.885 117.885 113.584 4.301 19876 9650 1 15 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.650 -0.166 19876 9651 1 15 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.239 -0.292 19876 9652 1 15 . 1 1 34 34 HIS CB C 34 29.767 29.767 31.946 -2.179 19876 9653 1 15 . 1 1 34 34 HIS H H 34 7.896 7.896 8.876 -0.980 19876 9654 1 15 . 1 1 35 35 GLY N N 35 108.681 108.681 107.827 0.854 19876 9655 1 15 . 1 1 35 35 GLY C C 35 172.466 172.466 174.073 -1.607 19876 9656 1 15 . 1 1 35 35 GLY CA C 35 45.299 45.299 46.569 -1.270 19876 9657 1 15 . 1 1 35 35 GLY H H 35 7.864 7.864 8.273 -0.409 19876 9658 1 15 . 1 1 36 36 TRP N N 36 120.973 120.973 119.106 1.867 19876 9659 1 15 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.884 -0.390 19876 9660 1 15 . 1 1 36 36 TRP C C 36 174.594 174.594 174.955 -0.361 19876 9661 1 15 . 1 1 36 36 TRP CA C 36 57.866 57.866 59.156 -1.290 19876 9662 1 15 . 1 1 36 36 TRP CB C 36 29.587 29.587 31.331 -1.744 19876 9663 1 15 . 1 1 36 36 TRP H H 36 7.809 7.809 8.644 -0.835 19876 9664 1 15 . 1 1 37 37 VAL N N 37 122.778 122.778 113.279 9.499 19876 9665 1 15 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.381 -0.594 19876 9666 1 15 . 1 1 37 37 VAL C C 37 173.396 173.396 174.255 -0.859 19876 9667 1 15 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.407 0.877 19876 9668 1 15 . 1 1 37 37 VAL CB C 37 33.534 33.534 34.505 -0.971 19876 9669 1 15 . 1 1 37 37 VAL H H 37 7.712 7.712 7.895 -0.183 19876 9670 1 15 . 1 1 38 38 ASN N N 38 121.869 121.869 122.458 -0.589 19876 9671 1 15 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.681 -0.446 19876 9672 1 15 . 1 1 38 38 ASN C C 38 172.186 172.186 174.623 -2.437 19876 9673 1 15 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.155 1.915 19876 9674 1 15 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.017 1.612 19876 9675 1 15 . 1 1 38 38 ASN H H 38 7.768 7.768 8.606 -0.838 19876 9676 1 15 . 1 1 39 39 ASP N N 39 123.332 123.332 126.546 -3.214 19876 9677 1 15 . 1 1 39 39 ASP HA H 39 4.859 4.859 3.746 1.113 19876 9678 1 15 . 1 1 39 39 ASP C C 39 173.301 173.301 176.139 -2.838 19876 9679 1 15 . 1 1 39 39 ASP CA C 39 49.860 49.860 53.313 -3.453 19876 9680 1 15 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.013 -0.305 19876 9681 1 15 . 1 1 39 39 ASP H H 39 8.300 8.300 7.453 0.847 19876 9682 1 15 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.218 -0.062 19876 9683 1 15 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.517 -0.583 19876 9684 1 15 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.965 0.927 19876 9685 1 15 . 1 1 41 41 THR N N 41 107.824 107.824 109.970 -2.146 19876 9686 1 15 . 1 1 41 41 THR HA H 41 4.191 4.191 4.320 -0.129 19876 9687 1 15 . 1 1 41 41 THR C C 41 173.405 173.405 174.749 -1.344 19876 9688 1 15 . 1 1 41 41 THR CA C 41 61.283 61.283 62.568 -1.285 19876 9689 1 15 . 1 1 41 41 THR CB C 41 69.351 69.351 68.895 0.456 19876 9690 1 15 . 1 1 41 41 THR H H 41 7.923 7.923 8.352 -0.429 19876 9691 1 15 . 1 1 42 42 SER N N 42 118.745 118.745 117.779 0.966 19876 9692 1 15 . 1 1 42 42 SER HA H 42 4.187 4.187 4.526 -0.339 19876 9693 1 15 . 1 1 42 42 SER C C 42 172.750 172.750 175.755 -3.005 19876 9694 1 15 . 1 1 42 42 SER CA C 42 58.320 58.320 57.644 0.676 19876 9695 1 15 . 1 1 42 42 SER CB C 42 64.569 64.569 64.659 -0.090 19876 9696 1 15 . 1 1 42 42 SER H H 42 7.705 7.705 7.849 -0.144 19876 9697 1 15 . 1 1 43 43 ALA N N 43 124.591 124.591 131.103 -6.512 19876 9698 1 15 . 1 1 43 43 ALA HA H 43 3.960 3.960 4.009 -0.049 19876 9699 1 15 . 1 1 43 43 ALA C C 43 178.795 178.795 179.221 -0.426 19876 9700 1 15 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.429 -0.293 19876 9701 1 15 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.433 -0.289 19876 9702 1 15 . 1 1 43 43 ALA H H 43 8.540 8.540 9.011 -0.471 19876 9703 1 15 . 1 1 44 44 VAL N N 44 115.734 115.734 116.501 -0.767 19876 9704 1 15 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.423 0.296 19876 9705 1 15 . 1 1 44 44 VAL C C 44 176.057 176.057 177.700 -1.643 19876 9706 1 15 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.997 -1.295 19876 9707 1 15 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.102 0.633 19876 9708 1 15 . 1 1 44 44 VAL H H 44 7.836 7.836 8.213 -0.377 19876 9709 1 15 . 1 1 45 45 ASN N N 45 123.038 123.038 118.020 5.018 19876 9710 1 15 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.134 -0.090 19876 9711 1 15 . 1 1 45 45 ASN C C 45 176.022 176.022 177.832 -1.810 19876 9712 1 15 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.230 0.605 19876 9713 1 15 . 1 1 45 45 ASN CB C 45 37.721 37.721 37.662 0.059 19876 9714 1 15 . 1 1 45 45 ASN H H 45 7.709 7.709 8.069 -0.360 19876 9715 1 15 . 1 1 46 46 LEU N N 46 122.005 122.005 121.365 0.640 19876 9716 1 15 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.819 0.107 19876 9717 1 15 . 1 1 46 46 LEU C C 46 178.192 178.192 179.016 -0.824 19876 9718 1 15 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.490 -0.447 19876 9719 1 15 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.415 -0.585 19876 9720 1 15 . 1 1 46 46 LEU H H 46 8.239 8.239 8.608 -0.369 19876 9721 1 15 . 1 1 47 47 GLN N N 47 119.394 119.394 118.393 1.001 19876 9722 1 15 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.879 0.092 19876 9723 1 15 . 1 1 47 47 GLN C C 47 177.762 177.762 178.762 -1.000 19876 9724 1 15 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.295 -0.605 19876 9725 1 15 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.637 -0.510 19876 9726 1 15 . 1 1 47 47 GLN H H 47 7.825 7.825 8.361 -0.536 19876 9727 1 15 . 1 1 48 48 LEU N N 48 122.808 122.808 119.462 3.346 19876 9728 1 15 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.758 -0.015 19876 9729 1 15 . 1 1 48 48 LEU C C 48 177.366 177.366 178.732 -1.366 19876 9730 1 15 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.624 -0.350 19876 9731 1 15 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.057 0.402 19876 9732 1 15 . 1 1 48 48 LEU H H 48 7.625 7.625 8.291 -0.666 19876 9733 1 15 . 1 1 49 49 ASN N N 49 117.784 117.784 118.356 -0.572 19876 9734 1 15 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.384 -0.098 19876 9735 1 15 . 1 1 49 49 ASN C C 49 176.893 176.893 177.107 -0.214 19876 9736 1 15 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.572 -1.436 19876 9737 1 15 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.203 -0.592 19876 9738 1 15 . 1 1 49 49 ASN H H 49 7.797 7.797 8.266 -0.469 19876 9739 1 15 . 1 1 50 50 ASP N N 50 120.887 120.887 121.315 -0.428 19876 9740 1 15 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.402 -0.098 19876 9741 1 15 . 1 1 50 50 ASP C C 50 177.452 177.452 178.489 -1.037 19876 9742 1 15 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.447 -0.060 19876 9743 1 15 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.125 -0.535 19876 9744 1 15 . 1 1 50 50 ASP H H 50 7.868 7.868 8.019 -0.151 19876 9745 1 15 . 1 1 51 51 LEU N N 51 123.117 123.117 121.075 2.042 19876 9746 1 15 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.819 0.339 19876 9747 1 15 . 1 1 51 51 LEU C C 51 177.345 177.345 179.181 -1.836 19876 9748 1 15 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.973 -1.009 19876 9749 1 15 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.932 -0.931 19876 9750 1 15 . 1 1 51 51 LEU H H 51 7.627 7.627 8.381 -0.754 19876 9751 1 15 . 1 1 52 52 ILE N N 52 120.007 120.007 118.676 1.331 19876 9752 1 15 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.477 -0.110 19876 9753 1 15 . 1 1 52 52 ILE C C 52 176.246 176.246 178.212 -1.966 19876 9754 1 15 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.837 1.183 19876 9755 1 15 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.491 0.691 19876 9756 1 15 . 1 1 52 52 ILE H H 52 8.309 8.309 8.771 -0.462 19876 9757 1 15 . 1 1 53 53 GLU N N 53 117.619 117.619 118.890 -1.271 19876 9758 1 15 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.994 -0.063 19876 9759 1 15 . 1 1 53 53 GLU C C 53 178.193 178.193 178.985 -0.792 19876 9760 1 15 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.741 -0.288 19876 9761 1 15 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.494 -0.146 19876 9762 1 15 . 1 1 53 53 GLU H H 53 7.965 7.965 8.146 -0.181 19876 9763 1 15 . 1 1 54 54 HIS N N 54 120.335 120.335 121.363 -1.028 19876 9764 1 15 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.409 -0.097 19876 9765 1 15 . 1 1 54 54 HIS C C 54 177.331 177.331 178.186 -0.855 19876 9766 1 15 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.342 0.220 19876 9767 1 15 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.718 0.479 19876 9768 1 15 . 1 1 54 54 HIS H H 54 8.117 8.117 8.741 -0.624 19876 9769 1 15 . 1 1 55 55 ILE N N 55 120.694 120.694 119.377 1.317 19876 9770 1 15 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.768 -0.329 19876 9771 1 15 . 1 1 55 55 ILE C C 55 176.281 176.281 177.708 -1.427 19876 9772 1 15 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.122 0.829 19876 9773 1 15 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.522 -0.493 19876 9774 1 15 . 1 1 55 55 ILE H H 55 8.655 8.655 8.777 -0.122 19876 9775 1 15 . 1 1 56 56 ALA N N 56 123.896 123.896 123.240 0.656 19876 9776 1 15 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.930 -0.169 19876 9777 1 15 . 1 1 56 56 ALA C C 56 179.581 179.581 179.592 -0.011 19876 9778 1 15 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.820 -0.208 19876 9779 1 15 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.052 -0.403 19876 9780 1 15 . 1 1 56 56 ALA H H 56 9.063 9.063 8.571 0.492 19876 9781 1 15 . 1 1 57 57 SER N N 57 114.014 114.014 115.403 -1.389 19876 9782 1 15 . 1 1 57 57 SER HA H 57 4.165 4.165 4.182 -0.017 19876 9783 1 15 . 1 1 57 57 SER C C 57 175.540 175.540 176.552 -1.012 19876 9784 1 15 . 1 1 57 57 SER CA C 57 61.491 61.491 61.163 0.328 19876 9785 1 15 . 1 1 57 57 SER CB C 57 62.640 62.640 62.696 -0.056 19876 9786 1 15 . 1 1 57 57 SER H H 57 7.918 7.918 8.764 -0.846 19876 9787 1 15 . 1 1 58 58 PHE N N 58 125.013 125.013 124.422 0.591 19876 9788 1 15 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.403 -0.385 19876 9789 1 15 . 1 1 58 58 PHE C C 58 177.343 177.343 178.006 -0.663 19876 9790 1 15 . 1 1 58 58 PHE CA C 58 61.676 61.676 61.046 0.630 19876 9791 1 15 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.178 0.006 19876 9792 1 15 . 1 1 58 58 PHE H H 58 8.024 8.024 8.098 -0.074 19876 9793 1 15 . 1 1 59 59 VAL N N 59 120.373 120.373 120.169 0.204 19876 9794 1 15 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.385 0.272 19876 9795 1 15 . 1 1 59 59 VAL C C 59 175.403 175.403 177.907 -2.504 19876 9796 1 15 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.024 -0.922 19876 9797 1 15 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.607 -0.169 19876 9798 1 15 . 1 1 59 59 VAL H H 59 9.263 9.263 8.958 0.305 19876 9799 1 15 . 1 1 60 60 MET N N 60 120.360 120.360 118.299 2.061 19876 9800 1 15 . 1 1 60 60 MET HA H 60 4.002 4.002 3.907 0.095 19876 9801 1 15 . 1 1 60 60 MET C C 60 177.417 177.417 178.056 -0.639 19876 9802 1 15 . 1 1 60 60 MET CA C 60 59.396 59.396 59.947 -0.551 19876 9803 1 15 . 1 1 60 60 MET CB C 60 31.986 31.986 32.363 -0.377 19876 9804 1 15 . 1 1 60 60 MET H H 60 7.826 7.826 8.512 -0.686 19876 9805 1 15 . 1 1 61 61 SER N N 61 113.289 113.289 115.236 -1.947 19876 9806 1 15 . 1 1 61 61 SER HA H 61 4.035 4.035 3.958 0.077 19876 9807 1 15 . 1 1 61 61 SER CA C 61 61.619 61.619 61.296 0.323 19876 9808 1 15 . 1 1 61 61 SER CB C 61 62.600 62.600 62.247 0.353 19876 9809 1 15 . 1 1 61 61 SER H H 61 7.230 7.230 7.570 -0.340 19876 9810 1 15 . 1 1 62 62 PHE N N 62 126.395 126.395 123.935 2.460 19876 9811 1 15 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.930 -0.289 19876 9812 1 15 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.193 -0.249 19876 9813 1 15 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.962 1.500 19876 9814 1 15 . 1 1 62 62 PHE H H 62 8.681 8.681 7.695 0.986 19876 9815 1 15 . 1 1 63 63 LYS N N 63 116.676 116.676 117.155 -0.479 19876 9816 1 15 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.040 -0.008 19876 9817 1 15 . 1 1 63 63 LYS C C 63 177.262 177.262 178.179 -0.917 19876 9818 1 15 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.402 0.286 19876 9819 1 15 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.643 1.206 19876 9820 1 15 . 1 1 63 63 LYS H H 63 8.585 8.585 8.231 0.354 19876 9821 1 15 . 1 1 64 64 ILE N N 64 117.020 117.020 118.074 -1.054 19876 9822 1 15 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.763 -0.240 19876 9823 1 15 . 1 1 64 64 ILE C C 64 176.151 176.151 177.354 -1.203 19876 9824 1 15 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.396 -0.403 19876 9825 1 15 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.813 0.364 19876 9826 1 15 . 1 1 64 64 ILE H H 64 6.751 6.751 7.124 -0.373 19876 9827 1 15 . 1 1 65 65 LYS N N 65 120.165 120.165 117.482 2.683 19876 9828 1 15 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.777 -0.338 19876 9829 1 15 . 1 1 65 65 LYS C C 65 175.133 175.133 176.469 -1.336 19876 9830 1 15 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.499 0.456 19876 9831 1 15 . 1 1 65 65 LYS CB C 65 32.957 32.957 32.430 0.527 19876 9832 1 15 . 1 1 65 65 LYS H H 65 7.058 7.058 7.602 -0.544 19876 9833 1 15 . 1 1 66 66 TYR N N 66 115.421 115.421 111.857 3.564 19876 9834 1 15 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.764 0.124 19876 9835 1 15 . 1 1 66 66 TYR C C 66 173.061 173.061 173.189 -0.128 19876 9836 1 15 . 1 1 66 66 TYR CA C 66 54.529 54.529 53.992 0.537 19876 9837 1 15 . 1 1 66 66 TYR CB C 66 36.669 36.669 38.178 -1.509 19876 9838 1 15 . 1 1 66 66 TYR H H 66 7.784 7.784 7.857 -0.073 19876 9839 1 15 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.690 -0.333 19876 9840 1 15 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.127 1.383 19876 9841 1 15 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.311 -0.406 19876 9842 1 15 . 1 1 68 68 ASP N N 68 117.110 117.110 119.422 -2.312 19876 9843 1 15 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.413 0.314 19876 9844 1 15 . 1 1 68 68 ASP C C 68 175.024 175.024 175.993 -0.969 19876 9845 1 15 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.641 -0.898 19876 9846 1 15 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.407 0.087 19876 9847 1 15 . 1 1 68 68 ASP H H 68 8.548 8.548 8.595 -0.047 19876 9848 1 15 . 1 1 69 69 ASP N N 69 122.994 122.994 116.483 6.511 19876 9849 1 15 . 1 1 69 69 ASP HA H 69 4.991 4.991 3.776 1.215 19876 9850 1 15 . 1 1 69 69 ASP C C 69 174.782 174.782 177.584 -2.802 19876 9851 1 15 . 1 1 69 69 ASP CA C 69 54.315 54.315 52.434 1.881 19876 9852 1 15 . 1 1 69 69 ASP CB C 69 40.163 40.163 39.877 0.286 19876 9853 1 15 . 1 1 69 69 ASP H H 69 7.545 7.545 7.849 -0.304 19876 9854 1 15 . 1 1 70 70 GLY N N 70 107.712 107.712 109.989 -2.277 19876 9855 1 15 . 1 1 70 70 GLY C C 70 173.987 173.987 175.871 -1.884 19876 9856 1 15 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.840 -0.508 19876 9857 1 15 . 1 1 70 70 GLY H H 70 7.879 7.879 8.010 -0.131 19876 9858 1 15 . 1 1 71 71 ASP N N 71 119.785 119.785 121.543 -1.758 19876 9859 1 15 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.828 -0.633 19876 9860 1 15 . 1 1 71 71 ASP C C 71 177.114 177.114 178.347 -1.233 19876 9861 1 15 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.071 -0.019 19876 9862 1 15 . 1 1 71 71 ASP CB C 71 39.345 39.345 41.439 -2.094 19876 9863 1 15 . 1 1 71 71 ASP H H 71 8.447 8.447 7.834 0.613 19876 9864 1 15 . 1 1 72 72 LEU N N 72 119.776 119.776 121.910 -2.134 19876 9865 1 15 . 1 1 72 72 LEU HA H 72 3.867 3.867 4.016 -0.149 19876 9866 1 15 . 1 1 72 72 LEU C C 72 176.531 176.531 178.441 -1.910 19876 9867 1 15 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.592 -0.140 19876 9868 1 15 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.325 0.410 19876 9869 1 15 . 1 1 72 72 LEU H H 72 7.562 7.562 7.866 -0.304 19876 9870 1 15 . 1 1 73 73 SER N N 73 113.964 113.964 114.985 -1.021 19876 9871 1 15 . 1 1 73 73 SER HA H 73 3.605 3.605 4.020 -0.415 19876 9872 1 15 . 1 1 73 73 SER C C 73 174.610 174.610 176.973 -2.363 19876 9873 1 15 . 1 1 73 73 SER CA C 73 62.161 62.161 62.741 -0.580 19876 9874 1 15 . 1 1 73 73 SER CB C 73 62.158 62.158 62.688 -0.530 19876 9875 1 15 . 1 1 73 73 SER H H 73 8.050 8.050 8.840 -0.790 19876 9876 1 15 . 1 1 74 74 GLU N N 74 119.742 119.742 122.825 -3.083 19876 9877 1 15 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.002 0.069 19876 9878 1 15 . 1 1 74 74 GLU C C 74 178.089 178.089 179.085 -0.996 19876 9879 1 15 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.713 -0.611 19876 9880 1 15 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.442 -0.229 19876 9881 1 15 . 1 1 74 74 GLU H H 74 8.623 8.623 7.686 0.937 19876 9882 1 15 . 1 1 75 75 LEU N N 75 122.325 122.325 120.623 1.702 19876 9883 1 15 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.106 0.137 19876 9884 1 15 . 1 1 75 75 LEU C C 75 177.962 177.962 179.274 -1.312 19876 9885 1 15 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.540 -0.160 19876 9886 1 15 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.312 0.092 19876 9887 1 15 . 1 1 75 75 LEU H H 75 7.255 7.255 8.342 -1.087 19876 9888 1 15 . 1 1 76 76 VAL N N 76 119.514 119.514 120.050 -0.536 19876 9889 1 15 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.612 -0.025 19876 9890 1 15 . 1 1 76 76 VAL C C 76 176.909 176.909 178.261 -1.352 19876 9891 1 15 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.732 -0.472 19876 9892 1 15 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.324 -0.381 19876 9893 1 15 . 1 1 76 76 VAL H H 76 8.235 8.235 8.882 -0.647 19876 9894 1 15 . 1 1 77 77 GLU N N 77 118.692 118.692 119.595 -0.903 19876 9895 1 15 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.899 -0.160 19876 9896 1 15 . 1 1 77 77 GLU C C 77 177.692 177.692 178.883 -1.191 19876 9897 1 15 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.007 1.000 19876 9898 1 15 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.222 -0.065 19876 9899 1 15 . 1 1 77 77 GLU H H 77 8.204 8.204 8.990 -0.786 19876 9900 1 15 . 1 1 78 78 GLU N N 78 121.945 121.945 120.818 1.127 19876 9901 1 15 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.033 -0.005 19876 9902 1 15 . 1 1 78 78 GLU C C 78 176.559 176.559 178.788 -2.229 19876 9903 1 15 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.716 -0.142 19876 9904 1 15 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.780 0.105 19876 9905 1 15 . 1 1 78 78 GLU H H 78 8.058 8.058 8.283 -0.225 19876 9906 1 15 . 1 1 79 79 TYR N N 79 119.945 119.945 121.080 -1.135 19876 9907 1 15 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.089 0.311 19876 9908 1 15 . 1 1 79 79 TYR C C 79 178.365 178.365 178.283 0.082 19876 9909 1 15 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.496 -0.395 19876 9910 1 15 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.086 0.552 19876 9911 1 15 . 1 1 79 79 TYR H H 79 8.347 8.347 8.731 -0.384 19876 9912 1 15 . 1 1 80 80 LEU N N 80 123.586 123.586 118.843 4.743 19876 9913 1 15 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.771 -0.122 19876 9914 1 15 . 1 1 80 80 LEU C C 80 177.594 177.594 179.260 -1.666 19876 9915 1 15 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.509 0.170 19876 9916 1 15 . 1 1 80 80 LEU CB C 80 40.642 40.642 40.986 -0.344 19876 9917 1 15 . 1 1 80 80 LEU H H 80 9.113 9.113 8.841 0.272 19876 9918 1 15 . 1 1 81 81 ASP N N 81 121.522 121.522 119.469 2.053 19876 9919 1 15 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.383 0.023 19876 9920 1 15 . 1 1 81 81 ASP C C 81 178.021 178.021 178.482 -0.461 19876 9921 1 15 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.286 -0.597 19876 9922 1 15 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.885 -0.243 19876 9923 1 15 . 1 1 81 81 ASP H H 81 8.228 8.228 8.463 -0.235 19876 9924 1 15 . 1 1 82 82 ASP N N 82 120.931 120.931 120.409 0.522 19876 9925 1 15 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.441 -0.019 19876 9926 1 15 . 1 1 82 82 ASP C C 82 178.342 178.342 178.683 -0.341 19876 9927 1 15 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.925 -0.018 19876 9928 1 15 . 1 1 82 82 ASP CB C 82 40.833 40.833 41.060 -0.227 19876 9929 1 15 . 1 1 82 82 ASP H H 82 9.139 9.139 8.827 0.312 19876 9930 1 15 . 1 1 83 83 THR N N 83 118.686 118.686 116.954 1.732 19876 9931 1 15 . 1 1 83 83 THR HA H 83 3.415 3.415 3.740 -0.325 19876 9932 1 15 . 1 1 83 83 THR C C 83 173.663 173.663 176.431 -2.768 19876 9933 1 15 . 1 1 83 83 THR CA C 83 67.258 67.258 67.145 0.113 19876 9934 1 15 . 1 1 83 83 THR CB C 83 68.017 68.017 68.902 -0.885 19876 9935 1 15 . 1 1 83 83 THR H H 83 8.394 8.394 8.823 -0.429 19876 9936 1 15 . 1 1 84 84 TYR N N 84 122.004 122.004 122.207 -0.203 19876 9937 1 15 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.160 -0.416 19876 9938 1 15 . 1 1 84 84 TYR C C 84 177.983 177.983 177.071 0.912 19876 9939 1 15 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.494 0.613 19876 9940 1 15 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.462 -0.011 19876 9941 1 15 . 1 1 84 84 TYR H H 84 8.561 8.561 8.341 0.220 19876 9942 1 15 . 1 1 85 85 THR N N 85 116.249 116.249 114.941 1.308 19876 9943 1 15 . 1 1 85 85 THR HA H 85 3.409 3.409 3.714 -0.305 19876 9944 1 15 . 1 1 85 85 THR C C 85 174.628 174.628 176.332 -1.704 19876 9945 1 15 . 1 1 85 85 THR CA C 85 66.483 66.483 65.865 0.618 19876 9946 1 15 . 1 1 85 85 THR CB C 85 68.604 68.604 68.894 -0.290 19876 9947 1 15 . 1 1 85 85 THR H H 85 8.749 8.749 8.592 0.157 19876 9948 1 15 . 1 1 86 86 LEU N N 86 121.835 121.835 122.273 -0.438 19876 9949 1 15 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.854 -0.299 19876 9950 1 15 . 1 1 86 86 LEU C C 86 176.057 176.057 179.451 -3.394 19876 9951 1 15 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.540 0.466 19876 9952 1 15 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.560 1.212 19876 9953 1 15 . 1 1 86 86 LEU H H 86 7.257 7.257 8.304 -1.047 19876 9954 1 15 . 1 1 87 87 PHE N N 87 111.264 111.264 115.364 -4.100 19876 9955 1 15 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.147 -0.170 19876 9956 1 15 . 1 1 87 87 PHE C C 87 174.687 174.687 177.695 -3.008 19876 9957 1 15 . 1 1 87 87 PHE CA C 87 60.740 60.740 59.993 0.747 19876 9958 1 15 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.432 0.999 19876 9959 1 15 . 1 1 87 87 PHE H H 87 7.168 7.168 7.673 -0.505 19876 9960 1 15 . 1 1 88 88 SER N N 88 112.848 112.848 113.610 -0.762 19876 9961 1 15 . 1 1 88 88 SER HA H 88 4.207 4.207 4.255 -0.048 19876 9962 1 15 . 1 1 88 88 SER C C 88 172.760 172.760 174.000 -1.240 19876 9963 1 15 . 1 1 88 88 SER CA C 88 58.725 58.725 59.360 -0.635 19876 9964 1 15 . 1 1 88 88 SER CB C 88 63.342 63.342 63.194 0.148 19876 9965 1 15 . 1 1 88 88 SER H H 88 7.290 7.290 7.430 -0.140 19876 9966 1 15 . 1 1 89 89 SER N N 89 116.554 116.554 117.826 -1.272 19876 9967 1 15 . 1 1 89 89 SER HA H 89 4.347 4.347 4.704 -0.357 19876 9968 1 15 . 1 1 89 89 SER C C 89 172.251 172.251 173.852 -1.601 19876 9969 1 15 . 1 1 89 89 SER CA C 89 57.597 57.597 56.591 1.006 19876 9970 1 15 . 1 1 89 89 SER CB C 89 64.426 64.426 63.094 1.332 19876 9971 1 15 . 1 1 89 89 SER H H 89 7.064 7.064 7.829 -0.765 19876 9972 1 15 . 1 1 90 90 TYR N N 90 122.348 122.348 126.067 -3.719 19876 9973 1 15 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.242 0.101 19876 9974 1 15 . 1 1 90 90 TYR C C 90 175.043 175.043 177.095 -2.052 19876 9975 1 15 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.604 -2.632 19876 9976 1 15 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.363 -0.737 19876 9977 1 15 . 1 1 90 90 TYR H H 90 8.446 8.446 8.773 -0.327 19876 9978 1 15 . 1 1 91 91 GLY N N 91 111.349 111.349 104.215 7.134 19876 9979 1 15 . 1 1 91 91 GLY C C 91 170.874 170.874 173.405 -2.531 19876 9980 1 15 . 1 1 91 91 GLY CA C 91 44.734 44.734 44.048 0.686 19876 9981 1 15 . 1 1 91 91 GLY H H 91 7.820 7.820 8.109 -0.289 19876 9982 1 15 . 1 1 92 92 ILE N N 92 121.703 121.703 123.092 -1.389 19876 9983 1 15 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.774 0.104 19876 9984 1 15 . 1 1 92 92 ILE C C 92 173.956 173.956 176.120 -2.164 19876 9985 1 15 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.609 -0.482 19876 9986 1 15 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.293 1.149 19876 9987 1 15 . 1 1 92 92 ILE H H 92 8.032 8.032 8.337 -0.305 19876 9988 1 15 . 1 1 93 93 ASN N N 93 125.791 125.791 125.192 0.599 19876 9989 1 15 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.678 0.236 19876 9990 1 15 . 1 1 93 93 ASN C C 93 173.468 173.468 175.894 -2.426 19876 9991 1 15 . 1 1 93 93 ASN CA C 93 51.442 51.442 53.040 -1.598 19876 9992 1 15 . 1 1 93 93 ASN CB C 93 40.147 40.147 39.455 0.692 19876 9993 1 15 . 1 1 93 93 ASN H H 93 8.423 8.423 8.228 0.195 19876 9994 1 15 . 1 1 94 94 ASP N N 94 122.019 122.019 123.683 -1.664 19876 9995 1 15 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.513 -0.022 19876 9996 1 15 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.042 1.075 19876 9997 1 15 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.369 -0.081 19876 9998 1 15 . 1 1 94 94 ASP H H 94 8.710 8.710 8.936 -0.226 19876 9999 1 15 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.305 -0.151 19876 10000 1 15 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.996 0.558 19876 10001 1 15 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.319 -0.570 19876 10002 1 15 . 1 1 96 96 GLU N N 96 117.965 117.965 118.190 -0.225 19876 10003 1 15 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.080 -0.219 19876 10004 1 15 . 1 1 96 96 GLU C C 96 177.730 177.730 179.076 -1.346 19876 10005 1 15 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.075 -0.193 19876 10006 1 15 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.902 -0.064 19876 10007 1 15 . 1 1 96 96 GLU H H 96 7.954 7.954 8.559 -0.605 19876 10008 1 15 . 1 1 97 97 LEU N N 97 124.427 124.427 121.725 2.702 19876 10009 1 15 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.958 0.151 19876 10010 1 15 . 1 1 97 97 LEU C C 97 177.211 177.211 178.614 -1.403 19876 10011 1 15 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.415 -0.364 19876 10012 1 15 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.697 0.074 19876 10013 1 15 . 1 1 97 97 LEU H H 97 7.825 7.825 8.345 -0.520 19876 10014 1 15 . 1 1 98 98 GLN N N 98 117.195 117.195 118.097 -0.902 19876 10015 1 15 . 1 1 98 98 GLN HA H 98 3.990 3.990 3.981 0.009 19876 10016 1 15 . 1 1 98 98 GLN C C 98 177.762 177.762 178.796 -1.034 19876 10017 1 15 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.660 -0.036 19876 10018 1 15 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.813 0.188 19876 10019 1 15 . 1 1 98 98 GLN H H 98 8.481 8.481 8.596 -0.115 19876 10020 1 15 . 1 1 99 99 ARG N N 99 119.687 119.687 121.472 -1.785 19876 10021 1 15 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.076 -0.154 19876 10022 1 15 . 1 1 99 99 ARG C C 99 176.055 176.055 178.259 -2.204 19876 10023 1 15 . 1 1 99 99 ARG CA C 99 59.613 59.613 58.877 0.736 19876 10024 1 15 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.670 0.652 19876 10025 1 15 . 1 1 99 99 ARG H H 99 7.836 7.836 8.405 -0.569 19876 10026 1 15 . 1 1 100 100 TRP N N 100 119.762 119.762 121.699 -1.937 19876 10027 1 15 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.586 -0.357 19876 10028 1 15 . 1 1 100 100 TRP C C 100 176.004 176.004 178.763 -2.759 19876 10029 1 15 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.610 0.395 19876 10030 1 15 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.230 -0.282 19876 10031 1 15 . 1 1 100 100 TRP H H 100 7.731 7.731 8.623 -0.892 19876 10032 1 15 . 1 1 101 101 GLN N N 101 115.464 115.464 116.561 -1.097 19876 10033 1 15 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.825 -0.340 19876 10034 1 15 . 1 1 101 101 GLN C C 101 177.498 177.498 178.875 -1.377 19876 10035 1 15 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.797 -0.633 19876 10036 1 15 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.071 0.011 19876 10037 1 15 . 1 1 101 101 GLN H H 101 8.277 8.277 9.080 -0.803 19876 10038 1 15 . 1 1 102 102 LYS N N 102 119.856 119.856 119.518 0.338 19876 10039 1 15 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.121 -0.209 19876 10040 1 15 . 1 1 102 102 LYS C C 102 178.364 178.364 179.133 -0.769 19876 10041 1 15 . 1 1 102 102 LYS CA C 102 59.179 59.179 58.768 0.411 19876 10042 1 15 . 1 1 102 102 LYS CB C 102 31.825 31.825 31.955 -0.130 19876 10043 1 15 . 1 1 102 102 LYS H H 102 8.047 8.047 8.347 -0.300 19876 10044 1 15 . 1 1 103 103 THR N N 103 121.217 121.217 116.888 4.329 19876 10045 1 15 . 1 1 103 103 THR HA H 103 3.658 3.658 3.841 -0.183 19876 10046 1 15 . 1 1 103 103 THR C C 103 174.266 174.266 176.210 -1.944 19876 10047 1 15 . 1 1 103 103 THR CA C 103 66.206 66.206 66.551 -0.345 19876 10048 1 15 . 1 1 103 103 THR CB C 103 67.515 67.515 68.228 -0.714 19876 10049 1 15 . 1 1 103 103 THR H H 103 8.816 8.816 8.478 0.338 19876 10050 1 15 . 1 1 104 104 LYS N N 104 122.265 122.265 120.770 1.495 19876 10051 1 15 . 1 1 104 104 LYS HA H 104 3.051 3.051 2.893 0.158 19876 10052 1 15 . 1 1 104 104 LYS C C 104 176.952 176.952 178.970 -2.018 19876 10053 1 15 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.936 1.584 19876 10054 1 15 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.293 -0.952 19876 10055 1 15 . 1 1 104 104 LYS H H 104 8.258 8.258 8.092 0.166 19876 10056 1 15 . 1 1 105 105 GLU N N 105 118.912 118.912 119.648 -0.736 19876 10057 1 15 . 1 1 105 105 GLU HA H 105 3.598 3.598 4.263 -0.665 19876 10058 1 15 . 1 1 105 105 GLU C C 105 178.038 178.038 179.329 -1.291 19876 10059 1 15 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.168 0.350 19876 10060 1 15 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.124 -0.092 19876 10061 1 15 . 1 1 105 105 GLU H H 105 7.963 7.963 7.631 0.332 19876 10062 1 15 . 1 1 106 106 ARG N N 106 120.201 120.201 119.717 0.484 19876 10063 1 15 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.978 -0.282 19876 10064 1 15 . 1 1 106 106 ARG C C 106 177.744 177.744 178.998 -1.254 19876 10065 1 15 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.300 0.694 19876 10066 1 15 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.071 0.717 19876 10067 1 15 . 1 1 106 106 ARG H H 106 7.940 7.940 8.486 -0.546 19876 10068 1 15 . 1 1 107 107 LEU N N 107 120.982 120.982 119.622 1.360 19876 10069 1 15 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.959 -0.214 19876 10070 1 15 . 1 1 107 107 LEU C C 107 176.173 176.173 178.968 -2.795 19876 10071 1 15 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.636 -1.199 19876 10072 1 15 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.683 -0.814 19876 10073 1 15 . 1 1 107 107 LEU H H 107 8.242 8.242 8.215 0.027 19876 10074 1 15 . 1 1 108 108 PHE N N 108 117.793 117.793 118.195 -0.402 19876 10075 1 15 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.198 -0.196 19876 10076 1 15 . 1 1 108 108 PHE C C 108 177.654 177.654 178.119 -0.465 19876 10077 1 15 . 1 1 108 108 PHE CA C 108 61.189 61.189 62.349 -1.160 19876 10078 1 15 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.198 -1.413 19876 10079 1 15 . 1 1 108 108 PHE H H 108 8.772 8.772 7.715 1.057 19876 10080 1 15 . 1 1 109 109 ARG N N 109 121.726 121.726 118.887 2.839 19876 10081 1 15 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.035 -0.029 19876 10082 1 15 . 1 1 109 109 ARG C C 109 177.785 177.785 178.629 -0.844 19876 10083 1 15 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.774 0.568 19876 10084 1 15 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.266 0.532 19876 10085 1 15 . 1 1 109 109 ARG H H 109 7.865 7.865 7.959 -0.094 19876 10086 1 15 . 1 1 110 110 LEU N N 110 121.486 121.486 118.348 3.138 19876 10087 1 15 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.023 0.071 19876 10088 1 15 . 1 1 110 110 LEU C C 110 178.537 178.537 179.423 -0.886 19876 10089 1 15 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.212 -0.371 19876 10090 1 15 . 1 1 110 110 LEU CB C 110 40.821 40.821 42.001 -1.180 19876 10091 1 15 . 1 1 110 110 LEU H H 110 7.338 7.338 7.450 -0.112 19876 10092 1 15 . 1 1 111 111 PHE N N 111 115.883 115.883 118.710 -2.827 19876 10093 1 15 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.276 0.040 19876 10094 1 15 . 1 1 111 111 PHE C C 111 175.369 175.369 177.065 -1.696 19876 10095 1 15 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.523 -2.444 19876 10096 1 15 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.951 -0.440 19876 10097 1 15 . 1 1 111 111 PHE H H 111 7.584 7.584 8.482 -0.898 19876 10098 1 15 . 1 1 112 112 SER N N 112 111.693 111.693 111.829 -0.136 19876 10099 1 15 . 1 1 112 112 SER HA H 112 4.329 4.329 4.602 -0.273 19876 10100 1 15 . 1 1 112 112 SER C C 112 173.353 173.353 174.809 -1.456 19876 10101 1 15 . 1 1 112 112 SER CA C 112 59.050 59.050 59.773 -0.723 19876 10102 1 15 . 1 1 112 112 SER CB C 112 63.841 63.841 63.432 0.409 19876 10103 1 15 . 1 1 112 112 SER H H 112 7.554 7.554 8.455 -0.901 19876 10104 1 15 . 1 1 113 113 GLY N N 113 109.665 109.665 108.286 1.379 19876 10105 1 15 . 1 1 113 113 GLY C C 113 173.407 173.407 174.339 -0.932 19876 10106 1 15 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.908 0.466 19876 10107 1 15 . 1 1 113 113 GLY H H 113 7.781 7.781 7.633 0.148 19876 10108 1 15 . 1 1 114 114 GLU N N 114 121.028 121.028 120.113 0.915 19876 10109 1 15 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.105 -0.103 19876 10110 1 15 . 1 1 114 114 GLU C C 114 175.971 175.971 177.457 -1.486 19876 10111 1 15 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.056 0.254 19876 10112 1 15 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.883 0.281 19876 10113 1 15 . 1 1 114 114 GLU H H 114 8.414 8.414 8.129 0.285 19876 10114 1 15 . 1 1 115 115 TYR N N 115 118.828 118.828 116.322 2.506 19876 10115 1 15 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.550 -0.238 19876 10116 1 15 . 1 1 115 115 TYR C C 115 175.248 175.248 178.584 -3.336 19876 10117 1 15 . 1 1 115 115 TYR CA C 115 59.734 59.734 58.731 1.003 19876 10118 1 15 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.045 0.326 19876 10119 1 15 . 1 1 115 115 TYR H H 115 7.939 7.939 7.287 0.652 19876 10120 1 15 . 1 1 116 116 ILE N N 116 120.412 120.412 121.067 -0.655 19876 10121 1 15 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.601 0.142 19876 10122 1 15 . 1 1 116 116 ILE C C 116 175.591 175.591 178.291 -2.700 19876 10123 1 15 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.096 -1.960 19876 10124 1 15 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.221 1.006 19876 10125 1 15 . 1 1 116 116 ILE H H 116 7.892 7.892 7.774 0.118 19876 10126 1 15 . 1 1 117 117 SER N N 117 117.142 117.142 113.707 3.435 19876 10127 1 15 . 1 1 117 117 SER HA H 117 4.141 4.141 4.182 -0.041 19876 10128 1 15 . 1 1 117 117 SER C C 117 174.795 174.795 175.764 -0.969 19876 10129 1 15 . 1 1 117 117 SER CA C 117 60.437 60.437 61.506 -1.069 19876 10130 1 15 . 1 1 117 117 SER CB C 117 62.987 62.987 62.808 0.179 19876 10131 1 15 . 1 1 117 117 SER H H 117 8.127 8.127 8.781 -0.654 19876 10132 1 15 . 1 1 118 118 THR N N 118 115.779 115.779 114.351 1.428 19876 10133 1 15 . 1 1 118 118 THR HA H 118 3.987 3.987 4.236 -0.249 19876 10134 1 15 . 1 1 118 118 THR C C 118 174.025 174.025 176.762 -2.737 19876 10135 1 15 . 1 1 118 118 THR CA C 118 64.026 64.026 63.869 0.157 19876 10136 1 15 . 1 1 118 118 THR CB C 118 68.953 68.953 69.131 -0.178 19876 10137 1 15 . 1 1 118 118 THR H H 118 7.872 7.872 7.386 0.486 19876 10138 1 15 . 1 1 119 119 LEU N N 119 122.845 122.845 123.438 -0.593 19876 10139 1 15 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.986 0.062 19876 10140 1 15 . 1 1 119 119 LEU C C 119 176.246 176.246 177.513 -1.267 19876 10141 1 15 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.940 -1.859 19876 10142 1 15 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.409 -0.204 19876 10143 1 15 . 1 1 119 119 LEU H H 119 7.679 7.679 8.179 -0.500 19876 10144 1 15 . 1 1 120 120 MET N N 120 117.447 117.447 112.803 4.644 19876 10145 1 15 . 1 1 120 120 MET HA H 120 4.243 4.243 4.658 -0.415 19876 10146 1 15 . 1 1 120 120 MET C C 120 174.594 174.594 176.251 -1.657 19876 10147 1 15 . 1 1 120 120 MET CA C 120 55.470 55.470 55.694 -0.224 19876 10148 1 15 . 1 1 120 120 MET CB C 120 32.606 32.606 32.119 0.487 19876 10149 1 15 . 1 1 120 120 MET H H 120 7.812 7.812 8.155 -0.343 19876 10150 1 15 . 1 1 121 121 LYS N N 121 121.578 121.578 120.079 1.499 19876 10151 1 15 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.471 -0.236 19876 10152 1 15 . 1 1 121 121 LYS C C 121 174.539 174.539 177.107 -2.568 19876 10153 1 15 . 1 1 121 121 LYS CA C 121 56.481 56.481 57.246 -0.765 19876 10154 1 15 . 1 1 121 121 LYS CB C 121 32.966 32.966 34.050 -1.084 19876 10155 1 15 . 1 1 121 121 LYS H H 121 7.790 7.790 8.233 -0.443 19876 10156 1 16 . 1 1 2 2 ASP N N 2 122.949 122.949 120.502 2.447 19876 10157 1 16 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.967 -0.523 19876 10158 1 16 . 1 1 2 2 ASP C C 2 174.891 174.891 174.852 0.039 19876 10159 1 16 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.473 0.149 19876 10160 1 16 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.311 -0.992 19876 10161 1 16 . 1 1 2 2 ASP H H 2 8.386 8.386 8.496 -0.110 19876 10162 1 16 . 1 1 3 3 GLU N N 3 119.296 119.296 119.726 -0.430 19876 10163 1 16 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.509 -0.645 19876 10164 1 16 . 1 1 3 3 GLU C C 3 175.006 175.006 175.757 -0.751 19876 10165 1 16 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.364 2.709 19876 10166 1 16 . 1 1 3 3 GLU CB C 3 29.567 29.567 31.456 -1.889 19876 10167 1 16 . 1 1 3 3 GLU H H 3 8.601 8.601 8.229 0.372 19876 10168 1 16 . 1 1 4 4 TYR N N 4 118.038 118.038 120.802 -2.764 19876 10169 1 16 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.616 -0.163 19876 10170 1 16 . 1 1 4 4 TYR C C 4 174.761 174.761 175.696 -0.935 19876 10171 1 16 . 1 1 4 4 TYR CA C 4 57.574 57.574 59.345 -1.771 19876 10172 1 16 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.671 0.324 19876 10173 1 16 . 1 1 4 4 TYR H H 4 8.049 8.049 8.607 -0.558 19876 10174 1 16 . 1 1 5 5 SER N N 5 118.519 118.519 117.971 0.548 19876 10175 1 16 . 1 1 5 5 SER HA H 5 4.444 4.444 4.622 -0.178 19876 10176 1 16 . 1 1 5 5 SER C C 5 171.907 171.907 172.543 -0.636 19876 10177 1 16 . 1 1 5 5 SER CA C 5 57.173 57.173 57.257 -0.083 19876 10178 1 16 . 1 1 5 5 SER CB C 5 62.104 62.104 62.363 -0.259 19876 10179 1 16 . 1 1 5 5 SER H H 5 7.759 7.759 8.219 -0.460 19876 10180 1 16 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.506 -0.062 19876 10181 1 16 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.594 1.003 19876 10182 1 16 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.561 -0.513 19876 10183 1 16 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.037 -0.249 19876 10184 1 16 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.414 0.086 19876 10185 1 16 . 1 1 8 8 ARG CB C 8 29.581 29.581 28.867 0.714 19876 10186 1 16 . 1 1 9 9 HIS N N 9 118.064 118.064 119.417 -1.353 19876 10187 1 16 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.369 -0.087 19876 10188 1 16 . 1 1 9 9 HIS C C 9 176.264 176.264 177.922 -1.658 19876 10189 1 16 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.014 0.029 19876 10190 1 16 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.809 0.580 19876 10191 1 16 . 1 1 9 9 HIS H H 9 7.291 7.291 8.001 -0.710 19876 10192 1 16 . 1 1 10 10 ASP N N 10 122.089 122.089 120.833 1.256 19876 10193 1 16 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.824 -0.241 19876 10194 1 16 . 1 1 10 10 ASP C C 10 177.261 177.261 179.225 -1.964 19876 10195 1 16 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.452 -0.580 19876 10196 1 16 . 1 1 10 10 ASP CB C 10 40.569 40.569 41.070 -0.501 19876 10197 1 16 . 1 1 10 10 ASP H H 10 8.221 8.221 8.327 -0.106 19876 10198 1 16 . 1 1 11 11 VAL N N 11 119.318 119.318 120.952 -1.634 19876 10199 1 16 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.060 -0.573 19876 10200 1 16 . 1 1 11 11 VAL C C 11 175.661 175.661 177.920 -2.259 19876 10201 1 16 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.183 -0.304 19876 10202 1 16 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.570 -0.144 19876 10203 1 16 . 1 1 11 11 VAL H H 11 8.850 8.850 8.717 0.133 19876 10204 1 16 . 1 1 12 12 ALA N N 12 121.749 121.749 122.217 -0.468 19876 10205 1 16 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.780 -0.011 19876 10206 1 16 . 1 1 12 12 ALA C C 12 179.484 179.484 179.520 -0.036 19876 10207 1 16 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.527 -0.259 19876 10208 1 16 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.056 -0.314 19876 10209 1 16 . 1 1 12 12 ALA H H 12 7.676 7.676 8.696 -1.020 19876 10210 1 16 . 1 1 13 13 GLN N N 13 119.544 119.544 118.374 1.170 19876 10211 1 16 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.868 0.139 19876 10212 1 16 . 1 1 13 13 GLN C C 13 176.075 176.075 178.292 -2.217 19876 10213 1 16 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.204 -0.972 19876 10214 1 16 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.184 -0.434 19876 10215 1 16 . 1 1 13 13 GLN H H 13 8.151 8.151 8.724 -0.573 19876 10216 1 16 . 1 1 14 14 LEU N N 14 121.127 121.127 121.267 -0.140 19876 10217 1 16 . 1 1 14 14 LEU HA H 14 3.556 3.556 3.835 -0.279 19876 10218 1 16 . 1 1 14 14 LEU C C 14 176.935 176.935 178.613 -1.678 19876 10219 1 16 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.605 0.119 19876 10220 1 16 . 1 1 14 14 LEU CB C 14 41.687 41.687 40.991 0.696 19876 10221 1 16 . 1 1 14 14 LEU H H 14 7.889 7.889 8.559 -0.670 19876 10222 1 16 . 1 1 15 15 LYS N N 15 120.458 120.458 118.945 1.513 19876 10223 1 16 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.165 -0.503 19876 10224 1 16 . 1 1 15 15 LYS C C 15 176.022 176.022 178.894 -2.872 19876 10225 1 16 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.693 0.345 19876 10226 1 16 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.852 0.359 19876 10227 1 16 . 1 1 15 15 LYS H H 15 8.174 8.174 7.813 0.361 19876 10228 1 16 . 1 1 16 16 PHE N N 16 119.257 119.257 122.025 -2.768 19876 10229 1 16 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.354 -0.167 19876 10230 1 16 . 1 1 16 16 PHE C C 16 177.917 177.917 178.083 -0.166 19876 10231 1 16 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.678 -0.348 19876 10232 1 16 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.804 -0.310 19876 10233 1 16 . 1 1 16 16 PHE H H 16 7.855 7.855 8.945 -1.090 19876 10234 1 16 . 1 1 17 17 LEU N N 17 121.489 121.489 119.676 1.813 19876 10235 1 16 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.732 -0.134 19876 10236 1 16 . 1 1 17 17 LEU C C 17 177.988 177.988 179.142 -1.154 19876 10237 1 16 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.526 -0.564 19876 10238 1 16 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.163 1.535 19876 10239 1 16 . 1 1 17 17 LEU H H 17 8.560 8.560 8.917 -0.357 19876 10240 1 16 . 1 1 18 18 CYS N N 18 116.216 116.216 118.813 -2.597 19876 10241 1 16 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.232 0.003 19876 10242 1 16 . 1 1 18 18 CYS C C 18 176.987 176.987 177.308 -0.321 19876 10243 1 16 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.162 2.412 19876 10244 1 16 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.899 1.405 19876 10245 1 16 . 1 1 18 18 CYS H H 18 8.194 8.194 8.343 -0.149 19876 10246 1 16 . 1 1 19 19 GLU N N 19 123.947 123.947 121.031 2.916 19876 10247 1 16 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.094 -0.209 19876 10248 1 16 . 1 1 19 19 GLU C C 19 176.436 176.436 179.253 -2.817 19876 10249 1 16 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.973 -0.087 19876 10250 1 16 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.254 0.027 19876 10251 1 16 . 1 1 19 19 GLU H H 19 8.842 8.842 9.161 -0.319 19876 10252 1 16 . 1 1 20 20 SER N N 20 116.500 116.500 116.263 0.237 19876 10253 1 16 . 1 1 20 20 SER HA H 20 4.056 4.056 3.962 0.094 19876 10254 1 16 . 1 1 20 20 SER C C 20 174.835 174.835 176.527 -1.692 19876 10255 1 16 . 1 1 20 20 SER CA C 20 61.729 61.729 61.690 0.039 19876 10256 1 16 . 1 1 20 20 SER CB C 20 62.360 62.360 63.070 -0.710 19876 10257 1 16 . 1 1 20 20 SER H H 20 8.198 8.198 8.533 -0.335 19876 10258 1 16 . 1 1 21 21 LEU N N 21 121.186 121.186 123.739 -2.553 19876 10259 1 16 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.004 -0.093 19876 10260 1 16 . 1 1 21 21 LEU C C 21 175.905 175.905 178.337 -2.432 19876 10261 1 16 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.568 -0.615 19876 10262 1 16 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.075 -0.466 19876 10263 1 16 . 1 1 21 21 LEU H H 21 7.970 7.970 8.610 -0.640 19876 10264 1 16 . 1 1 22 22 TYR N N 22 119.690 119.690 120.799 -1.109 19876 10265 1 16 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.330 -0.012 19876 10266 1 16 . 1 1 22 22 TYR C C 22 175.453 175.453 178.040 -2.587 19876 10267 1 16 . 1 1 22 22 TYR CA C 22 62.240 62.240 59.370 2.870 19876 10268 1 16 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.735 -0.592 19876 10269 1 16 . 1 1 22 22 TYR H H 22 7.473 7.473 9.307 -1.834 19876 10270 1 16 . 1 1 23 23 ASP N N 23 118.291 118.291 118.699 -0.408 19876 10271 1 16 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.258 -0.211 19876 10272 1 16 . 1 1 23 23 ASP C C 23 178.796 178.796 178.583 0.213 19876 10273 1 16 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.614 -0.330 19876 10274 1 16 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.885 -1.002 19876 10275 1 16 . 1 1 23 23 ASP H H 23 8.249 8.249 8.038 0.211 19876 10276 1 16 . 1 1 24 24 GLU N N 24 120.605 120.605 119.553 1.052 19876 10277 1 16 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.923 0.008 19876 10278 1 16 . 1 1 24 24 GLU C C 24 178.457 178.457 179.268 -0.811 19876 10279 1 16 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.395 -0.834 19876 10280 1 16 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.250 -0.328 19876 10281 1 16 . 1 1 24 24 GLU H H 24 8.347 8.347 8.854 -0.507 19876 10282 1 16 . 1 1 25 25 GLY N N 25 111.777 111.777 108.883 2.894 19876 10283 1 16 . 1 1 25 25 GLY C C 25 173.906 173.906 176.565 -2.659 19876 10284 1 16 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.561 -0.093 19876 10285 1 16 . 1 1 25 25 GLY H H 25 8.701 8.701 9.125 -0.424 19876 10286 1 16 . 1 1 26 26 ILE N N 26 122.263 122.263 123.405 -1.142 19876 10287 1 16 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.839 -0.082 19876 10288 1 16 . 1 1 26 26 ILE C C 26 178.116 178.116 178.327 -0.211 19876 10289 1 16 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.563 -1.333 19876 10290 1 16 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.898 -1.210 19876 10291 1 16 . 1 1 26 26 ILE H H 26 8.717 8.717 8.180 0.537 19876 10292 1 16 . 1 1 27 27 ALA N N 27 122.092 122.092 122.110 -0.018 19876 10293 1 16 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.017 -0.057 19876 10294 1 16 . 1 1 27 27 ALA C C 27 178.428 178.428 179.428 -1.000 19876 10295 1 16 . 1 1 27 27 ALA CA C 27 54.493 54.493 54.895 -0.402 19876 10296 1 16 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.542 -0.492 19876 10297 1 16 . 1 1 27 27 ALA H H 27 7.672 7.672 8.503 -0.831 19876 10298 1 16 . 1 1 28 28 THR N N 28 115.031 115.031 114.192 0.839 19876 10299 1 16 . 1 1 28 28 THR HA H 28 3.734 3.734 4.076 -0.342 19876 10300 1 16 . 1 1 28 28 THR C C 28 174.403 174.403 176.915 -2.512 19876 10301 1 16 . 1 1 28 28 THR CA C 28 65.750 65.750 65.174 0.576 19876 10302 1 16 . 1 1 28 28 THR CB C 28 68.530 68.530 69.041 -0.511 19876 10303 1 16 . 1 1 28 28 THR H H 28 7.554 7.554 7.853 -0.299 19876 10304 1 16 . 1 1 29 29 LEU N N 29 121.356 121.356 120.438 0.918 19876 10305 1 16 . 1 1 29 29 LEU HA H 29 3.810 3.810 3.988 -0.178 19876 10306 1 16 . 1 1 29 29 LEU C C 29 176.694 176.694 177.548 -0.854 19876 10307 1 16 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.961 -0.467 19876 10308 1 16 . 1 1 29 29 LEU CB C 29 42.179 42.179 42.033 0.146 19876 10309 1 16 . 1 1 29 29 LEU H H 29 7.580 7.580 8.419 -0.839 19876 10310 1 16 . 1 1 30 30 GLY CA C 30 44.903 44.903 45.344 -0.441 19876 10311 1 16 . 1 1 31 31 ASP N N 31 119.983 119.983 122.813 -2.830 19876 10312 1 16 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.869 -0.306 19876 10313 1 16 . 1 1 31 31 ASP C C 31 175.609 175.609 176.366 -0.757 19876 10314 1 16 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.527 0.356 19876 10315 1 16 . 1 1 31 31 ASP CB C 31 41.558 41.558 41.730 -0.173 19876 10316 1 16 . 1 1 31 31 ASP H H 31 8.017 8.017 8.504 -0.487 19876 10317 1 16 . 1 1 32 32 SER N N 32 118.027 118.027 119.760 -1.733 19876 10318 1 16 . 1 1 32 32 SER HA H 32 4.191 4.191 4.722 -0.531 19876 10319 1 16 . 1 1 32 32 SER C C 32 178.747 178.747 175.720 3.027 19876 10320 1 16 . 1 1 32 32 SER CA C 32 59.247 59.247 58.243 1.004 19876 10321 1 16 . 1 1 32 32 SER CB C 32 63.224 63.224 63.647 -0.423 19876 10322 1 16 . 1 1 32 32 SER H H 32 8.284 8.284 8.774 -0.490 19876 10323 1 16 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.234 0.111 19876 10324 1 16 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.199 -2.170 19876 10325 1 16 . 1 1 33 33 HIS CB C 33 29.559 29.559 30.059 -0.500 19876 10326 1 16 . 1 1 34 34 HIS N N 34 117.885 117.885 116.449 1.436 19876 10327 1 16 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.492 -0.008 19876 10328 1 16 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.476 -0.529 19876 10329 1 16 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.242 -0.475 19876 10330 1 16 . 1 1 34 34 HIS H H 34 7.896 7.896 8.534 -0.638 19876 10331 1 16 . 1 1 35 35 GLY N N 35 108.681 108.681 108.426 0.255 19876 10332 1 16 . 1 1 35 35 GLY C C 35 172.466 172.466 174.396 -1.930 19876 10333 1 16 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.577 -0.278 19876 10334 1 16 . 1 1 35 35 GLY H H 35 7.864 7.864 7.508 0.356 19876 10335 1 16 . 1 1 36 36 TRP N N 36 120.973 120.973 118.705 2.268 19876 10336 1 16 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.485 0.009 19876 10337 1 16 . 1 1 36 36 TRP C C 36 174.594 174.594 176.563 -1.969 19876 10338 1 16 . 1 1 36 36 TRP CA C 36 57.866 57.866 57.126 0.740 19876 10339 1 16 . 1 1 36 36 TRP CB C 36 29.587 29.587 29.902 -0.315 19876 10340 1 16 . 1 1 36 36 TRP H H 36 7.809 7.809 7.735 0.074 19876 10341 1 16 . 1 1 37 37 VAL N N 37 122.778 122.778 115.919 6.859 19876 10342 1 16 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.120 -0.333 19876 10343 1 16 . 1 1 37 37 VAL C C 37 173.396 173.396 174.773 -1.377 19876 10344 1 16 . 1 1 37 37 VAL CA C 37 61.284 61.284 62.064 -0.780 19876 10345 1 16 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.123 0.411 19876 10346 1 16 . 1 1 37 37 VAL H H 37 7.712 7.712 8.448 -0.736 19876 10347 1 16 . 1 1 38 38 ASN N N 38 121.869 121.869 119.601 2.268 19876 10348 1 16 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.836 -0.601 19876 10349 1 16 . 1 1 38 38 ASN C C 38 172.186 172.186 174.174 -1.988 19876 10350 1 16 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.355 1.715 19876 10351 1 16 . 1 1 38 38 ASN CB C 38 40.629 40.629 41.207 -0.578 19876 10352 1 16 . 1 1 38 38 ASN H H 38 7.768 7.768 8.721 -0.953 19876 10353 1 16 . 1 1 39 39 ASP N N 39 123.332 123.332 122.214 1.118 19876 10354 1 16 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.922 -0.063 19876 10355 1 16 . 1 1 39 39 ASP C C 39 173.301 173.301 175.093 -1.792 19876 10356 1 16 . 1 1 39 39 ASP CA C 39 49.860 49.860 50.960 -1.100 19876 10357 1 16 . 1 1 39 39 ASP CB C 39 41.708 41.708 41.619 0.089 19876 10358 1 16 . 1 1 39 39 ASP H H 39 8.300 8.300 8.607 -0.307 19876 10359 1 16 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.443 -0.287 19876 10360 1 16 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.140 -0.206 19876 10361 1 16 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.837 0.056 19876 10362 1 16 . 1 1 41 41 THR N N 41 107.824 107.824 108.333 -0.509 19876 10363 1 16 . 1 1 41 41 THR HA H 41 4.191 4.191 4.177 0.014 19876 10364 1 16 . 1 1 41 41 THR C C 41 173.405 173.405 175.222 -1.817 19876 10365 1 16 . 1 1 41 41 THR CA C 41 61.283 61.283 62.621 -1.338 19876 10366 1 16 . 1 1 41 41 THR CB C 41 69.351 69.351 68.925 0.426 19876 10367 1 16 . 1 1 41 41 THR H H 41 7.923 7.923 7.790 0.133 19876 10368 1 16 . 1 1 42 42 SER N N 42 118.745 118.745 118.299 0.446 19876 10369 1 16 . 1 1 42 42 SER HA H 42 4.187 4.187 4.205 -0.018 19876 10370 1 16 . 1 1 42 42 SER C C 42 172.750 172.750 175.857 -3.107 19876 10371 1 16 . 1 1 42 42 SER CA C 42 58.320 58.320 58.119 0.201 19876 10372 1 16 . 1 1 42 42 SER CB C 42 64.569 64.569 64.782 -0.213 19876 10373 1 16 . 1 1 42 42 SER H H 42 7.705 7.705 7.860 -0.155 19876 10374 1 16 . 1 1 43 43 ALA N N 43 124.591 124.591 128.978 -4.387 19876 10375 1 16 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.974 -0.014 19876 10376 1 16 . 1 1 43 43 ALA C C 43 178.795 178.795 179.135 -0.340 19876 10377 1 16 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.191 -0.055 19876 10378 1 16 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.151 -0.007 19876 10379 1 16 . 1 1 43 43 ALA H H 43 8.540 8.540 8.790 -0.250 19876 10380 1 16 . 1 1 44 44 VAL N N 44 115.734 115.734 115.709 0.025 19876 10381 1 16 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.429 0.290 19876 10382 1 16 . 1 1 44 44 VAL C C 44 176.057 176.057 177.869 -1.812 19876 10383 1 16 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.499 -0.797 19876 10384 1 16 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.738 0.997 19876 10385 1 16 . 1 1 44 44 VAL H H 44 7.836 7.836 8.016 -0.180 19876 10386 1 16 . 1 1 45 45 ASN N N 45 123.038 123.038 118.235 4.803 19876 10387 1 16 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.986 0.058 19876 10388 1 16 . 1 1 45 45 ASN C C 45 176.022 176.022 177.758 -1.736 19876 10389 1 16 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.095 0.740 19876 10390 1 16 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.393 -0.672 19876 10391 1 16 . 1 1 45 45 ASN H H 45 7.709 7.709 7.394 0.315 19876 10392 1 16 . 1 1 46 46 LEU N N 46 122.005 122.005 120.381 1.624 19876 10393 1 16 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.782 0.144 19876 10394 1 16 . 1 1 46 46 LEU C C 46 178.192 178.192 178.879 -0.687 19876 10395 1 16 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.182 -0.139 19876 10396 1 16 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.318 -0.488 19876 10397 1 16 . 1 1 46 46 LEU H H 46 8.239 8.239 7.744 0.495 19876 10398 1 16 . 1 1 47 47 GLN N N 47 119.394 119.394 118.174 1.220 19876 10399 1 16 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.866 0.105 19876 10400 1 16 . 1 1 47 47 GLN C C 47 177.762 177.762 178.808 -1.046 19876 10401 1 16 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.135 -0.443 19876 10402 1 16 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.483 -0.356 19876 10403 1 16 . 1 1 47 47 GLN H H 47 7.825 7.825 8.521 -0.696 19876 10404 1 16 . 1 1 48 48 LEU N N 48 122.808 122.808 119.205 3.603 19876 10405 1 16 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.794 -0.051 19876 10406 1 16 . 1 1 48 48 LEU C C 48 177.366 177.366 178.650 -1.284 19876 10407 1 16 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.781 -0.507 19876 10408 1 16 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.948 0.511 19876 10409 1 16 . 1 1 48 48 LEU H H 48 7.625 7.625 8.546 -0.921 19876 10410 1 16 . 1 1 49 49 ASN N N 49 117.784 117.784 117.733 0.051 19876 10411 1 16 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.320 -0.034 19876 10412 1 16 . 1 1 49 49 ASN C C 49 176.893 176.893 176.948 -0.055 19876 10413 1 16 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.636 -0.500 19876 10414 1 16 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.068 -0.458 19876 10415 1 16 . 1 1 49 49 ASN H H 49 7.797 7.797 8.096 -0.299 19876 10416 1 16 . 1 1 50 50 ASP N N 50 120.887 120.887 121.104 -0.217 19876 10417 1 16 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.399 -0.095 19876 10418 1 16 . 1 1 50 50 ASP C C 50 177.452 177.452 178.522 -1.070 19876 10419 1 16 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.456 -0.069 19876 10420 1 16 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.987 -0.397 19876 10421 1 16 . 1 1 50 50 ASP H H 50 7.868 7.868 8.120 -0.252 19876 10422 1 16 . 1 1 51 51 LEU N N 51 123.117 123.117 121.024 2.093 19876 10423 1 16 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.797 0.361 19876 10424 1 16 . 1 1 51 51 LEU C C 51 177.345 177.345 179.109 -1.764 19876 10425 1 16 . 1 1 51 51 LEU CA C 51 57.964 57.964 59.308 -1.344 19876 10426 1 16 . 1 1 51 51 LEU CB C 51 41.001 41.001 42.006 -1.005 19876 10427 1 16 . 1 1 51 51 LEU H H 51 7.627 7.627 8.520 -0.893 19876 10428 1 16 . 1 1 52 52 ILE N N 52 120.007 120.007 118.464 1.543 19876 10429 1 16 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.518 -0.151 19876 10430 1 16 . 1 1 52 52 ILE C C 52 176.246 176.246 178.225 -1.979 19876 10431 1 16 . 1 1 52 52 ILE CA C 52 67.020 67.020 65.834 1.186 19876 10432 1 16 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.518 0.664 19876 10433 1 16 . 1 1 52 52 ILE H H 52 8.309 8.309 8.768 -0.459 19876 10434 1 16 . 1 1 53 53 GLU N N 53 117.619 117.619 119.226 -1.607 19876 10435 1 16 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.993 -0.062 19876 10436 1 16 . 1 1 53 53 GLU C C 53 178.193 178.193 178.952 -0.759 19876 10437 1 16 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.801 -0.348 19876 10438 1 16 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.605 -0.257 19876 10439 1 16 . 1 1 53 53 GLU H H 53 7.965 7.965 8.022 -0.057 19876 10440 1 16 . 1 1 54 54 HIS N N 54 120.335 120.335 121.122 -0.787 19876 10441 1 16 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.403 -0.091 19876 10442 1 16 . 1 1 54 54 HIS C C 54 177.331 177.331 178.274 -0.943 19876 10443 1 16 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.394 0.168 19876 10444 1 16 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.748 0.449 19876 10445 1 16 . 1 1 54 54 HIS H H 54 8.117 8.117 8.861 -0.744 19876 10446 1 16 . 1 1 55 55 ILE N N 55 120.694 120.694 119.250 1.444 19876 10447 1 16 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.786 -0.347 19876 10448 1 16 . 1 1 55 55 ILE C C 55 176.281 176.281 177.738 -1.457 19876 10449 1 16 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.120 0.831 19876 10450 1 16 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.561 -0.532 19876 10451 1 16 . 1 1 55 55 ILE H H 55 8.655 8.655 8.876 -0.221 19876 10452 1 16 . 1 1 56 56 ALA N N 56 123.896 123.896 124.177 -0.281 19876 10453 1 16 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.923 -0.162 19876 10454 1 16 . 1 1 56 56 ALA C C 56 179.581 179.581 179.421 0.160 19876 10455 1 16 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.704 -0.092 19876 10456 1 16 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.176 -0.527 19876 10457 1 16 . 1 1 56 56 ALA H H 56 9.063 9.063 8.689 0.374 19876 10458 1 16 . 1 1 57 57 SER N N 57 114.014 114.014 115.367 -1.353 19876 10459 1 16 . 1 1 57 57 SER HA H 57 4.165 4.165 4.216 -0.051 19876 10460 1 16 . 1 1 57 57 SER C C 57 175.540 175.540 176.602 -1.062 19876 10461 1 16 . 1 1 57 57 SER CA C 57 61.491 61.491 61.386 0.105 19876 10462 1 16 . 1 1 57 57 SER CB C 57 62.640 62.640 62.656 -0.016 19876 10463 1 16 . 1 1 57 57 SER H H 57 7.918 7.918 8.907 -0.989 19876 10464 1 16 . 1 1 58 58 PHE N N 58 125.013 125.013 124.201 0.812 19876 10465 1 16 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.383 -0.365 19876 10466 1 16 . 1 1 58 58 PHE C C 58 177.343 177.343 177.231 0.112 19876 10467 1 16 . 1 1 58 58 PHE CA C 58 61.676 61.676 61.680 -0.004 19876 10468 1 16 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.328 -0.144 19876 10469 1 16 . 1 1 58 58 PHE H H 58 8.024 8.024 8.132 -0.108 19876 10470 1 16 . 1 1 59 59 VAL N N 59 120.373 120.373 120.736 -0.363 19876 10471 1 16 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.442 0.215 19876 10472 1 16 . 1 1 59 59 VAL C C 59 175.403 175.403 177.999 -2.596 19876 10473 1 16 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.469 -1.367 19876 10474 1 16 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.632 -0.194 19876 10475 1 16 . 1 1 59 59 VAL H H 59 9.263 9.263 9.077 0.186 19876 10476 1 16 . 1 1 60 60 MET N N 60 120.360 120.360 119.424 0.936 19876 10477 1 16 . 1 1 60 60 MET HA H 60 4.002 4.002 3.886 0.116 19876 10478 1 16 . 1 1 60 60 MET C C 60 177.417 177.417 178.422 -1.005 19876 10479 1 16 . 1 1 60 60 MET CA C 60 59.396 59.396 60.120 -0.724 19876 10480 1 16 . 1 1 60 60 MET CB C 60 31.986 31.986 32.574 -0.588 19876 10481 1 16 . 1 1 60 60 MET H H 60 7.826 7.826 8.804 -0.978 19876 10482 1 16 . 1 1 61 61 SER N N 61 113.289 113.289 115.555 -2.266 19876 10483 1 16 . 1 1 61 61 SER HA H 61 4.035 4.035 4.041 -0.006 19876 10484 1 16 . 1 1 61 61 SER CA C 61 61.619 61.619 61.423 0.196 19876 10485 1 16 . 1 1 61 61 SER CB C 61 62.600 62.600 62.987 -0.387 19876 10486 1 16 . 1 1 61 61 SER H H 61 7.230 7.230 8.045 -0.815 19876 10487 1 16 . 1 1 62 62 PHE N N 62 126.395 126.395 122.803 3.592 19876 10488 1 16 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.910 -0.269 19876 10489 1 16 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.485 0.459 19876 10490 1 16 . 1 1 62 62 PHE CB C 62 40.462 40.462 39.008 1.454 19876 10491 1 16 . 1 1 62 62 PHE H H 62 8.681 8.681 8.630 0.051 19876 10492 1 16 . 1 1 63 63 LYS N N 63 116.676 116.676 117.753 -1.077 19876 10493 1 16 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.062 -0.030 19876 10494 1 16 . 1 1 63 63 LYS C C 63 177.262 177.262 178.094 -0.832 19876 10495 1 16 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.646 0.042 19876 10496 1 16 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.824 1.025 19876 10497 1 16 . 1 1 63 63 LYS H H 63 8.585 8.585 8.602 -0.017 19876 10498 1 16 . 1 1 64 64 ILE N N 64 117.020 117.020 118.280 -1.260 19876 10499 1 16 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.896 -0.373 19876 10500 1 16 . 1 1 64 64 ILE C C 64 176.151 176.151 177.705 -1.554 19876 10501 1 16 . 1 1 64 64 ILE CA C 64 62.993 62.993 62.786 0.207 19876 10502 1 16 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.047 1.130 19876 10503 1 16 . 1 1 64 64 ILE H H 64 6.751 6.751 7.890 -1.139 19876 10504 1 16 . 1 1 65 65 LYS N N 65 120.165 120.165 117.994 2.171 19876 10505 1 16 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.163 -0.724 19876 10506 1 16 . 1 1 65 65 LYS C C 65 175.133 175.133 176.306 -1.173 19876 10507 1 16 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.417 0.538 19876 10508 1 16 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.935 -0.979 19876 10509 1 16 . 1 1 65 65 LYS H H 65 7.058 7.058 7.629 -0.571 19876 10510 1 16 . 1 1 66 66 TYR N N 66 115.421 115.421 118.463 -3.042 19876 10511 1 16 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.700 0.188 19876 10512 1 16 . 1 1 66 66 TYR C C 66 173.061 173.061 173.165 -0.104 19876 10513 1 16 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.435 -0.907 19876 10514 1 16 . 1 1 66 66 TYR CB C 66 36.669 36.669 40.393 -3.724 19876 10515 1 16 . 1 1 66 66 TYR H H 66 7.784 7.784 8.178 -0.394 19876 10516 1 16 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.497 -0.140 19876 10517 1 16 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.696 0.814 19876 10518 1 16 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.194 -0.289 19876 10519 1 16 . 1 1 68 68 ASP N N 68 117.110 117.110 117.604 -0.494 19876 10520 1 16 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.230 0.497 19876 10521 1 16 . 1 1 68 68 ASP C C 68 175.024 175.024 176.402 -1.378 19876 10522 1 16 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.405 -0.662 19876 10523 1 16 . 1 1 68 68 ASP CB C 68 40.494 40.494 39.886 0.608 19876 10524 1 16 . 1 1 68 68 ASP H H 68 8.548 8.548 7.762 0.786 19876 10525 1 16 . 1 1 69 69 ASP N N 69 122.994 122.994 116.869 6.125 19876 10526 1 16 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.686 0.305 19876 10527 1 16 . 1 1 69 69 ASP C C 69 174.782 174.782 177.511 -2.729 19876 10528 1 16 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.718 0.597 19876 10529 1 16 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.669 -0.506 19876 10530 1 16 . 1 1 69 69 ASP H H 69 7.545 7.545 7.463 0.082 19876 10531 1 16 . 1 1 70 70 GLY N N 70 107.712 107.712 109.526 -1.814 19876 10532 1 16 . 1 1 70 70 GLY C C 70 173.987 173.987 175.450 -1.463 19876 10533 1 16 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.729 -0.397 19876 10534 1 16 . 1 1 70 70 GLY H H 70 7.879 7.879 7.844 0.035 19876 10535 1 16 . 1 1 71 71 ASP N N 71 119.785 119.785 121.289 -1.504 19876 10536 1 16 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.315 -0.120 19876 10537 1 16 . 1 1 71 71 ASP C C 71 177.114 177.114 178.180 -1.066 19876 10538 1 16 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.277 -0.225 19876 10539 1 16 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.392 -1.047 19876 10540 1 16 . 1 1 71 71 ASP H H 71 8.447 8.447 8.139 0.308 19876 10541 1 16 . 1 1 72 72 LEU N N 72 119.776 119.776 120.923 -1.147 19876 10542 1 16 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.959 -0.092 19876 10543 1 16 . 1 1 72 72 LEU C C 72 176.531 176.531 178.112 -1.581 19876 10544 1 16 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.101 -0.649 19876 10545 1 16 . 1 1 72 72 LEU CB C 72 41.735 41.735 42.079 -0.344 19876 10546 1 16 . 1 1 72 72 LEU H H 72 7.562 7.562 8.082 -0.520 19876 10547 1 16 . 1 1 73 73 SER N N 73 113.964 113.964 116.106 -2.142 19876 10548 1 16 . 1 1 73 73 SER HA H 73 3.605 3.605 3.990 -0.385 19876 10549 1 16 . 1 1 73 73 SER C C 73 174.610 174.610 176.479 -1.869 19876 10550 1 16 . 1 1 73 73 SER CA C 73 62.161 62.161 63.239 -1.077 19876 10551 1 16 . 1 1 73 73 SER CB C 73 62.158 62.158 63.022 -0.864 19876 10552 1 16 . 1 1 73 73 SER H H 73 8.050 8.050 8.411 -0.361 19876 10553 1 16 . 1 1 74 74 GLU N N 74 119.742 119.742 122.617 -2.875 19876 10554 1 16 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.173 -0.102 19876 10555 1 16 . 1 1 74 74 GLU C C 74 178.089 178.089 178.625 -0.536 19876 10556 1 16 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.747 -0.645 19876 10557 1 16 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.562 -0.349 19876 10558 1 16 . 1 1 74 74 GLU H H 74 8.623 8.623 8.425 0.198 19876 10559 1 16 . 1 1 75 75 LEU N N 75 122.325 122.325 120.181 2.144 19876 10560 1 16 . 1 1 75 75 LEU HA H 75 4.243 4.243 3.993 0.250 19876 10561 1 16 . 1 1 75 75 LEU C C 75 177.962 177.962 179.068 -1.106 19876 10562 1 16 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.815 -0.435 19876 10563 1 16 . 1 1 75 75 LEU CB C 75 41.404 41.404 40.998 0.406 19876 10564 1 16 . 1 1 75 75 LEU H H 75 7.255 7.255 7.858 -0.603 19876 10565 1 16 . 1 1 76 76 VAL N N 76 119.514 119.514 120.322 -0.808 19876 10566 1 16 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.638 -0.051 19876 10567 1 16 . 1 1 76 76 VAL C C 76 176.909 176.909 178.436 -1.527 19876 10568 1 16 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.253 0.007 19876 10569 1 16 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.374 -0.431 19876 10570 1 16 . 1 1 76 76 VAL H H 76 8.235 8.235 8.797 -0.562 19876 10571 1 16 . 1 1 77 77 GLU N N 77 118.692 118.692 120.208 -1.516 19876 10572 1 16 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.850 -0.111 19876 10573 1 16 . 1 1 77 77 GLU C C 77 177.692 177.692 179.206 -1.514 19876 10574 1 16 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.277 0.730 19876 10575 1 16 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.209 -0.052 19876 10576 1 16 . 1 1 77 77 GLU H H 77 8.204 8.204 8.972 -0.768 19876 10577 1 16 . 1 1 78 78 GLU N N 78 121.945 121.945 120.016 1.929 19876 10578 1 16 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.022 0.006 19876 10579 1 16 . 1 1 78 78 GLU C C 78 176.559 176.559 178.954 -2.395 19876 10580 1 16 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.733 -0.159 19876 10581 1 16 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.656 0.229 19876 10582 1 16 . 1 1 78 78 GLU H H 78 8.058 8.058 8.688 -0.630 19876 10583 1 16 . 1 1 79 79 TYR N N 79 119.945 119.945 121.661 -1.716 19876 10584 1 16 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.254 0.146 19876 10585 1 16 . 1 1 79 79 TYR C C 79 178.365 178.365 178.511 -0.146 19876 10586 1 16 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.253 -0.152 19876 10587 1 16 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.175 0.464 19876 10588 1 16 . 1 1 79 79 TYR H H 79 8.347 8.347 8.706 -0.359 19876 10589 1 16 . 1 1 80 80 LEU N N 80 123.586 123.586 118.970 4.616 19876 10590 1 16 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.811 -0.162 19876 10591 1 16 . 1 1 80 80 LEU C C 80 177.594 177.594 179.212 -1.618 19876 10592 1 16 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.309 0.370 19876 10593 1 16 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.070 -0.428 19876 10594 1 16 . 1 1 80 80 LEU H H 80 9.113 9.113 8.951 0.162 19876 10595 1 16 . 1 1 81 81 ASP N N 81 121.522 121.522 119.391 2.131 19876 10596 1 16 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.294 0.112 19876 10597 1 16 . 1 1 81 81 ASP C C 81 178.021 178.021 178.413 -0.392 19876 10598 1 16 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.086 -0.397 19876 10599 1 16 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.753 -0.111 19876 10600 1 16 . 1 1 81 81 ASP H H 81 8.228 8.228 8.559 -0.331 19876 10601 1 16 . 1 1 82 82 ASP N N 82 120.931 120.931 119.912 1.019 19876 10602 1 16 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.399 0.023 19876 10603 1 16 . 1 1 82 82 ASP C C 82 178.342 178.342 178.940 -0.598 19876 10604 1 16 . 1 1 82 82 ASP CA C 82 57.907 57.907 58.010 -0.103 19876 10605 1 16 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.772 0.061 19876 10606 1 16 . 1 1 82 82 ASP H H 82 9.139 9.139 8.737 0.402 19876 10607 1 16 . 1 1 83 83 THR N N 83 118.686 118.686 117.707 0.979 19876 10608 1 16 . 1 1 83 83 THR HA H 83 3.415 3.415 3.560 -0.145 19876 10609 1 16 . 1 1 83 83 THR C C 83 173.663 173.663 176.421 -2.758 19876 10610 1 16 . 1 1 83 83 THR CA C 83 67.258 67.258 66.827 0.431 19876 10611 1 16 . 1 1 83 83 THR CB C 83 68.017 68.017 69.027 -1.010 19876 10612 1 16 . 1 1 83 83 THR H H 83 8.394 8.394 8.841 -0.447 19876 10613 1 16 . 1 1 84 84 TYR N N 84 122.004 122.004 122.653 -0.649 19876 10614 1 16 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.044 -0.301 19876 10615 1 16 . 1 1 84 84 TYR C C 84 177.983 177.983 177.592 0.391 19876 10616 1 16 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.657 0.450 19876 10617 1 16 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.250 0.201 19876 10618 1 16 . 1 1 84 84 TYR H H 84 8.561 8.561 8.838 -0.277 19876 10619 1 16 . 1 1 85 85 THR N N 85 116.249 116.249 116.103 0.146 19876 10620 1 16 . 1 1 85 85 THR HA H 85 3.409 3.409 3.679 -0.270 19876 10621 1 16 . 1 1 85 85 THR C C 85 174.628 174.628 176.634 -2.006 19876 10622 1 16 . 1 1 85 85 THR CA C 85 66.483 66.483 66.366 0.117 19876 10623 1 16 . 1 1 85 85 THR CB C 85 68.604 68.604 68.687 -0.083 19876 10624 1 16 . 1 1 85 85 THR H H 85 8.749 8.749 8.772 -0.023 19876 10625 1 16 . 1 1 86 86 LEU N N 86 121.835 121.835 123.128 -1.293 19876 10626 1 16 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.770 -0.215 19876 10627 1 16 . 1 1 86 86 LEU C C 86 176.057 176.057 179.407 -3.350 19876 10628 1 16 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.557 0.449 19876 10629 1 16 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.658 1.115 19876 10630 1 16 . 1 1 86 86 LEU H H 86 7.257 7.257 8.506 -1.249 19876 10631 1 16 . 1 1 87 87 PHE N N 87 111.264 111.264 114.962 -3.698 19876 10632 1 16 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.169 -0.192 19876 10633 1 16 . 1 1 87 87 PHE C C 87 174.687 174.687 177.270 -2.583 19876 10634 1 16 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.371 0.369 19876 10635 1 16 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.860 0.571 19876 10636 1 16 . 1 1 87 87 PHE H H 87 7.168 7.168 7.930 -0.762 19876 10637 1 16 . 1 1 88 88 SER N N 88 112.848 112.848 112.826 0.022 19876 10638 1 16 . 1 1 88 88 SER HA H 88 4.207 4.207 4.153 0.054 19876 10639 1 16 . 1 1 88 88 SER C C 88 172.760 172.760 173.800 -1.040 19876 10640 1 16 . 1 1 88 88 SER CA C 88 58.725 58.725 59.144 -0.419 19876 10641 1 16 . 1 1 88 88 SER CB C 88 63.342 63.342 63.389 -0.047 19876 10642 1 16 . 1 1 88 88 SER H H 88 7.290 7.290 7.408 -0.118 19876 10643 1 16 . 1 1 89 89 SER N N 89 116.554 116.554 118.335 -1.781 19876 10644 1 16 . 1 1 89 89 SER HA H 89 4.347 4.347 4.233 0.114 19876 10645 1 16 . 1 1 89 89 SER C C 89 172.251 172.251 173.955 -1.704 19876 10646 1 16 . 1 1 89 89 SER CA C 89 57.597 57.597 58.190 -0.593 19876 10647 1 16 . 1 1 89 89 SER CB C 89 64.426 64.426 63.079 1.347 19876 10648 1 16 . 1 1 89 89 SER H H 89 7.064 7.064 7.539 -0.475 19876 10649 1 16 . 1 1 90 90 TYR N N 90 122.348 122.348 124.239 -1.891 19876 10650 1 16 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.216 0.127 19876 10651 1 16 . 1 1 90 90 TYR C C 90 175.043 175.043 177.043 -2.000 19876 10652 1 16 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.005 -2.033 19876 10653 1 16 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.505 -0.879 19876 10654 1 16 . 1 1 90 90 TYR H H 90 8.446 8.446 7.304 1.142 19876 10655 1 16 . 1 1 91 91 GLY N N 91 111.349 111.349 103.772 7.577 19876 10656 1 16 . 1 1 91 91 GLY C C 91 170.874 170.874 173.621 -2.747 19876 10657 1 16 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.443 1.291 19876 10658 1 16 . 1 1 91 91 GLY H H 91 7.820 7.820 7.847 -0.027 19876 10659 1 16 . 1 1 92 92 ILE N N 92 121.703 121.703 123.872 -2.169 19876 10660 1 16 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.822 0.056 19876 10661 1 16 . 1 1 92 92 ILE C C 92 173.956 173.956 175.597 -1.641 19876 10662 1 16 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.699 -0.572 19876 10663 1 16 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.093 1.349 19876 10664 1 16 . 1 1 92 92 ILE H H 92 8.032 8.032 8.151 -0.119 19876 10665 1 16 . 1 1 93 93 ASN N N 93 125.791 125.791 126.531 -0.740 19876 10666 1 16 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.958 -0.044 19876 10667 1 16 . 1 1 93 93 ASN C C 93 173.468 173.468 175.590 -2.122 19876 10668 1 16 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.109 -0.667 19876 10669 1 16 . 1 1 93 93 ASN CB C 93 40.147 40.147 41.074 -0.927 19876 10670 1 16 . 1 1 93 93 ASN H H 93 8.423 8.423 8.138 0.285 19876 10671 1 16 . 1 1 94 94 ASP N N 94 122.019 122.019 124.985 -2.966 19876 10672 1 16 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.421 0.070 19876 10673 1 16 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.433 0.685 19876 10674 1 16 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.694 0.594 19876 10675 1 16 . 1 1 94 94 ASP H H 94 8.710 8.710 9.046 -0.336 19876 10676 1 16 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.250 -0.096 19876 10677 1 16 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.886 0.668 19876 10678 1 16 . 1 1 95 95 PRO CB C 95 30.749 30.749 30.988 -0.239 19876 10679 1 16 . 1 1 96 96 GLU N N 96 117.965 117.965 118.325 -0.360 19876 10680 1 16 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.040 -0.179 19876 10681 1 16 . 1 1 96 96 GLU C C 96 177.730 177.730 179.159 -1.429 19876 10682 1 16 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.172 0.710 19876 10683 1 16 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.694 0.144 19876 10684 1 16 . 1 1 96 96 GLU H H 96 7.954 7.954 8.599 -0.645 19876 10685 1 16 . 1 1 97 97 LEU N N 97 124.427 124.427 122.266 2.161 19876 10686 1 16 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.964 0.145 19876 10687 1 16 . 1 1 97 97 LEU C C 97 177.211 177.211 178.946 -1.735 19876 10688 1 16 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.191 -0.140 19876 10689 1 16 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.803 -0.032 19876 10690 1 16 . 1 1 97 97 LEU H H 97 7.825 7.825 8.262 -0.437 19876 10691 1 16 . 1 1 98 98 GLN N N 98 117.195 117.195 118.390 -1.195 19876 10692 1 16 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.038 -0.048 19876 10693 1 16 . 1 1 98 98 GLN C C 98 177.762 177.762 178.871 -1.109 19876 10694 1 16 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.491 0.132 19876 10695 1 16 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.692 0.309 19876 10696 1 16 . 1 1 98 98 GLN H H 98 8.481 8.481 8.879 -0.398 19876 10697 1 16 . 1 1 99 99 ARG N N 99 119.687 119.687 120.739 -1.052 19876 10698 1 16 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.065 -0.143 19876 10699 1 16 . 1 1 99 99 ARG C C 99 176.055 176.055 178.508 -2.453 19876 10700 1 16 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.178 0.435 19876 10701 1 16 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.844 0.478 19876 10702 1 16 . 1 1 99 99 ARG H H 99 7.836 7.836 8.387 -0.551 19876 10703 1 16 . 1 1 100 100 TRP N N 100 119.762 119.762 121.398 -1.636 19876 10704 1 16 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.491 -0.262 19876 10705 1 16 . 1 1 100 100 TRP C C 100 176.004 176.004 178.669 -2.665 19876 10706 1 16 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.577 0.428 19876 10707 1 16 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.119 -0.171 19876 10708 1 16 . 1 1 100 100 TRP H H 100 7.731 7.731 8.675 -0.944 19876 10709 1 16 . 1 1 101 101 GLN N N 101 115.464 115.464 116.744 -1.280 19876 10710 1 16 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.817 -0.332 19876 10711 1 16 . 1 1 101 101 GLN C C 101 177.498 177.498 178.829 -1.331 19876 10712 1 16 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.629 -0.465 19876 10713 1 16 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.115 -0.033 19876 10714 1 16 . 1 1 101 101 GLN H H 101 8.277 8.277 8.845 -0.568 19876 10715 1 16 . 1 1 102 102 LYS N N 102 119.856 119.856 120.030 -0.174 19876 10716 1 16 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.018 -0.106 19876 10717 1 16 . 1 1 102 102 LYS C C 102 178.364 178.364 179.042 -0.678 19876 10718 1 16 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.662 -0.483 19876 10719 1 16 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.289 -0.464 19876 10720 1 16 . 1 1 102 102 LYS H H 102 8.047 8.047 8.496 -0.449 19876 10721 1 16 . 1 1 103 103 THR N N 103 121.217 121.217 116.514 4.703 19876 10722 1 16 . 1 1 103 103 THR HA H 103 3.658 3.658 3.812 -0.154 19876 10723 1 16 . 1 1 103 103 THR C C 103 174.266 174.266 176.142 -1.876 19876 10724 1 16 . 1 1 103 103 THR CA C 103 66.206 66.206 66.648 -0.442 19876 10725 1 16 . 1 1 103 103 THR CB C 103 67.515 67.515 68.302 -0.787 19876 10726 1 16 . 1 1 103 103 THR H H 103 8.816 8.816 8.360 0.456 19876 10727 1 16 . 1 1 104 104 LYS N N 104 122.265 122.265 120.747 1.518 19876 10728 1 16 . 1 1 104 104 LYS HA H 104 3.051 3.051 2.821 0.230 19876 10729 1 16 . 1 1 104 104 LYS C C 104 176.952 176.952 178.547 -1.595 19876 10730 1 16 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.818 1.702 19876 10731 1 16 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.951 -0.611 19876 10732 1 16 . 1 1 104 104 LYS H H 104 8.258 8.258 8.092 0.166 19876 10733 1 16 . 1 1 105 105 GLU N N 105 118.912 118.912 119.493 -0.581 19876 10734 1 16 . 1 1 105 105 GLU HA H 105 3.598 3.598 4.002 -0.404 19876 10735 1 16 . 1 1 105 105 GLU C C 105 178.038 178.038 178.988 -0.950 19876 10736 1 16 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.303 0.215 19876 10737 1 16 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.145 -0.113 19876 10738 1 16 . 1 1 105 105 GLU H H 105 7.963 7.963 7.375 0.588 19876 10739 1 16 . 1 1 106 106 ARG N N 106 120.201 120.201 119.420 0.781 19876 10740 1 16 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.813 -0.117 19876 10741 1 16 . 1 1 106 106 ARG C C 106 177.744 177.744 178.699 -0.955 19876 10742 1 16 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.828 0.166 19876 10743 1 16 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.006 0.782 19876 10744 1 16 . 1 1 106 106 ARG H H 106 7.940 7.940 8.590 -0.650 19876 10745 1 16 . 1 1 107 107 LEU N N 107 120.982 120.982 119.844 1.138 19876 10746 1 16 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.838 -0.093 19876 10747 1 16 . 1 1 107 107 LEU C C 107 176.173 176.173 178.551 -2.378 19876 10748 1 16 . 1 1 107 107 LEU CA C 107 57.437 57.437 56.973 0.464 19876 10749 1 16 . 1 1 107 107 LEU CB C 107 40.869 40.869 40.571 0.298 19876 10750 1 16 . 1 1 107 107 LEU H H 107 8.242 8.242 8.111 0.131 19876 10751 1 16 . 1 1 108 108 PHE N N 108 117.793 117.793 118.009 -0.216 19876 10752 1 16 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.420 -0.418 19876 10753 1 16 . 1 1 108 108 PHE C C 108 177.654 177.654 178.055 -0.401 19876 10754 1 16 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.425 -0.236 19876 10755 1 16 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.291 -1.506 19876 10756 1 16 . 1 1 108 108 PHE H H 108 8.772 8.772 7.699 1.073 19876 10757 1 16 . 1 1 109 109 ARG N N 109 121.726 121.726 117.021 4.705 19876 10758 1 16 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.179 -0.173 19876 10759 1 16 . 1 1 109 109 ARG C C 109 177.785 177.785 178.225 -0.440 19876 10760 1 16 . 1 1 109 109 ARG CA C 109 59.342 59.342 57.910 1.432 19876 10761 1 16 . 1 1 109 109 ARG CB C 109 29.798 29.798 30.150 -0.352 19876 10762 1 16 . 1 1 109 109 ARG H H 109 7.865 7.865 8.361 -0.496 19876 10763 1 16 . 1 1 110 110 LEU N N 110 121.486 121.486 119.108 2.378 19876 10764 1 16 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.167 -0.073 19876 10765 1 16 . 1 1 110 110 LEU C C 110 178.537 178.537 178.413 0.124 19876 10766 1 16 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.349 0.492 19876 10767 1 16 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.750 -0.929 19876 10768 1 16 . 1 1 110 110 LEU H H 110 7.338 7.338 7.816 -0.478 19876 10769 1 16 . 1 1 111 111 PHE N N 111 115.883 115.883 119.730 -3.847 19876 10770 1 16 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.269 0.047 19876 10771 1 16 . 1 1 111 111 PHE C C 111 175.369 175.369 177.975 -2.606 19876 10772 1 16 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.815 -1.736 19876 10773 1 16 . 1 1 111 111 PHE CB C 111 38.511 38.511 37.793 0.718 19876 10774 1 16 . 1 1 111 111 PHE H H 111 7.584 7.584 8.893 -1.309 19876 10775 1 16 . 1 1 112 112 SER N N 112 111.693 111.693 114.181 -2.488 19876 10776 1 16 . 1 1 112 112 SER HA H 112 4.329 4.329 4.415 -0.086 19876 10777 1 16 . 1 1 112 112 SER C C 112 173.353 173.353 175.413 -2.060 19876 10778 1 16 . 1 1 112 112 SER CA C 112 59.050 59.050 60.503 -1.453 19876 10779 1 16 . 1 1 112 112 SER CB C 112 63.841 63.841 63.684 0.157 19876 10780 1 16 . 1 1 112 112 SER H H 112 7.554 7.554 7.608 -0.054 19876 10781 1 16 . 1 1 113 113 GLY N N 113 109.665 109.665 108.382 1.283 19876 10782 1 16 . 1 1 113 113 GLY C C 113 173.407 173.407 174.473 -1.066 19876 10783 1 16 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.041 0.333 19876 10784 1 16 . 1 1 113 113 GLY H H 113 7.781 7.781 7.935 -0.154 19876 10785 1 16 . 1 1 114 114 GLU N N 114 121.028 121.028 121.425 -0.397 19876 10786 1 16 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.005 -0.003 19876 10787 1 16 . 1 1 114 114 GLU C C 114 175.971 175.971 177.121 -1.150 19876 10788 1 16 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.237 0.073 19876 10789 1 16 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.559 0.605 19876 10790 1 16 . 1 1 114 114 GLU H H 114 8.414 8.414 8.065 0.349 19876 10791 1 16 . 1 1 115 115 TYR N N 115 118.828 118.828 116.091 2.737 19876 10792 1 16 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.584 -0.272 19876 10793 1 16 . 1 1 115 115 TYR C C 115 175.248 175.248 178.155 -2.907 19876 10794 1 16 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.630 0.104 19876 10795 1 16 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.227 0.144 19876 10796 1 16 . 1 1 115 115 TYR H H 115 7.939 7.939 7.576 0.363 19876 10797 1 16 . 1 1 116 116 ILE N N 116 120.412 120.412 120.529 -0.117 19876 10798 1 16 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.743 0.000 19876 10799 1 16 . 1 1 116 116 ILE C C 116 175.591 175.591 178.018 -2.427 19876 10800 1 16 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.125 -1.989 19876 10801 1 16 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.618 0.609 19876 10802 1 16 . 1 1 116 116 ILE H H 116 7.892 7.892 8.356 -0.464 19876 10803 1 16 . 1 1 117 117 SER N N 117 117.142 117.142 114.218 2.924 19876 10804 1 16 . 1 1 117 117 SER HA H 117 4.141 4.141 4.076 0.065 19876 10805 1 16 . 1 1 117 117 SER C C 117 174.795 174.795 176.569 -1.774 19876 10806 1 16 . 1 1 117 117 SER CA C 117 60.437 60.437 61.679 -1.242 19876 10807 1 16 . 1 1 117 117 SER CB C 117 62.987 62.987 62.005 0.982 19876 10808 1 16 . 1 1 117 117 SER H H 117 8.127 8.127 8.504 -0.377 19876 10809 1 16 . 1 1 118 118 THR N N 118 115.779 115.779 116.431 -0.652 19876 10810 1 16 . 1 1 118 118 THR HA H 118 3.987 3.987 4.147 -0.160 19876 10811 1 16 . 1 1 118 118 THR C C 118 174.025 174.025 176.003 -1.978 19876 10812 1 16 . 1 1 118 118 THR CA C 118 64.026 64.026 64.997 -0.971 19876 10813 1 16 . 1 1 118 118 THR CB C 118 68.953 68.953 69.072 -0.119 19876 10814 1 16 . 1 1 118 118 THR H H 118 7.872 7.872 7.694 0.178 19876 10815 1 16 . 1 1 119 119 LEU N N 119 122.845 122.845 121.005 1.840 19876 10816 1 16 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.772 0.276 19876 10817 1 16 . 1 1 119 119 LEU C C 119 176.246 176.246 178.343 -2.097 19876 10818 1 16 . 1 1 119 119 LEU CA C 119 56.081 56.081 56.880 -0.799 19876 10819 1 16 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.235 -0.030 19876 10820 1 16 . 1 1 119 119 LEU H H 119 7.679 7.679 7.443 0.236 19876 10821 1 16 . 1 1 120 120 MET N N 120 117.447 117.447 115.313 2.134 19876 10822 1 16 . 1 1 120 120 MET HA H 120 4.243 4.243 4.484 -0.241 19876 10823 1 16 . 1 1 120 120 MET C C 120 174.594 174.594 175.858 -1.264 19876 10824 1 16 . 1 1 120 120 MET CA C 120 55.470 55.470 55.490 -0.020 19876 10825 1 16 . 1 1 120 120 MET CB C 120 32.606 32.606 30.261 2.345 19876 10826 1 16 . 1 1 120 120 MET H H 120 7.812 7.812 8.261 -0.449 19876 10827 1 16 . 1 1 121 121 LYS N N 121 121.578 121.578 121.526 0.052 19876 10828 1 16 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.259 -0.024 19876 10829 1 16 . 1 1 121 121 LYS C C 121 174.539 174.539 177.171 -2.632 19876 10830 1 16 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.115 -1.634 19876 10831 1 16 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.293 -0.327 19876 10832 1 16 . 1 1 121 121 LYS H H 121 7.790 7.790 8.139 -0.349 19876 10833 1 17 . 1 1 2 2 ASP N N 2 122.949 122.949 122.029 0.920 19876 10834 1 17 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.845 -0.401 19876 10835 1 17 . 1 1 2 2 ASP C C 2 174.891 174.891 175.613 -0.722 19876 10836 1 17 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.696 -0.074 19876 10837 1 17 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.472 -1.153 19876 10838 1 17 . 1 1 2 2 ASP H H 2 8.386 8.386 8.628 -0.242 19876 10839 1 17 . 1 1 3 3 GLU N N 3 119.296 119.296 120.583 -1.287 19876 10840 1 17 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.310 -0.446 19876 10841 1 17 . 1 1 3 3 GLU C C 3 175.006 175.006 175.617 -0.611 19876 10842 1 17 . 1 1 3 3 GLU CA C 3 58.073 58.073 56.348 1.725 19876 10843 1 17 . 1 1 3 3 GLU CB C 3 29.567 29.567 27.316 2.251 19876 10844 1 17 . 1 1 3 3 GLU H H 3 8.601 8.601 8.701 -0.100 19876 10845 1 17 . 1 1 4 4 TYR N N 4 118.038 118.038 121.901 -3.863 19876 10846 1 17 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.198 0.255 19876 10847 1 17 . 1 1 4 4 TYR C C 4 174.761 174.761 175.971 -1.210 19876 10848 1 17 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.607 -3.033 19876 10849 1 17 . 1 1 4 4 TYR CB C 4 38.995 38.995 39.202 -0.207 19876 10850 1 17 . 1 1 4 4 TYR H H 4 8.049 8.049 8.380 -0.331 19876 10851 1 17 . 1 1 5 5 SER N N 5 118.519 118.519 113.376 5.143 19876 10852 1 17 . 1 1 5 5 SER HA H 5 4.444 4.444 4.874 -0.430 19876 10853 1 17 . 1 1 5 5 SER C C 5 171.907 171.907 171.802 0.105 19876 10854 1 17 . 1 1 5 5 SER CA C 5 57.173 57.173 55.530 1.643 19876 10855 1 17 . 1 1 5 5 SER CB C 5 62.104 62.104 65.348 -3.244 19876 10856 1 17 . 1 1 5 5 SER H H 5 7.759 7.759 8.024 -0.265 19876 10857 1 17 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.548 -0.104 19876 10858 1 17 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.870 0.727 19876 10859 1 17 . 1 1 6 6 PRO CB C 6 32.048 32.048 31.984 0.064 19876 10860 1 17 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.142 -0.354 19876 10861 1 17 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.896 -0.396 19876 10862 1 17 . 1 1 8 8 ARG CB C 8 29.581 29.581 28.945 0.636 19876 10863 1 17 . 1 1 9 9 HIS N N 9 118.064 118.064 119.440 -1.376 19876 10864 1 17 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.297 -0.015 19876 10865 1 17 . 1 1 9 9 HIS C C 9 176.264 176.264 177.472 -1.208 19876 10866 1 17 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.837 -0.793 19876 10867 1 17 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.846 0.543 19876 10868 1 17 . 1 1 9 9 HIS H H 9 7.291 7.291 7.786 -0.495 19876 10869 1 17 . 1 1 10 10 ASP N N 10 122.089 122.089 120.491 1.598 19876 10870 1 17 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.934 -0.351 19876 10871 1 17 . 1 1 10 10 ASP C C 10 177.261 177.261 179.380 -2.119 19876 10872 1 17 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.435 -0.563 19876 10873 1 17 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.817 -0.248 19876 10874 1 17 . 1 1 10 10 ASP H H 10 8.221 8.221 8.868 -0.647 19876 10875 1 17 . 1 1 11 11 VAL N N 11 119.318 119.318 121.289 -1.971 19876 10876 1 17 . 1 1 11 11 VAL HA H 11 3.487 3.487 4.098 -0.611 19876 10877 1 17 . 1 1 11 11 VAL C C 11 175.661 175.661 178.123 -2.462 19876 10878 1 17 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.525 -0.646 19876 10879 1 17 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.773 -0.347 19876 10880 1 17 . 1 1 11 11 VAL H H 11 8.850 8.850 8.738 0.112 19876 10881 1 17 . 1 1 12 12 ALA N N 12 121.749 121.749 121.299 0.450 19876 10882 1 17 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.859 -0.090 19876 10883 1 17 . 1 1 12 12 ALA C C 12 179.484 179.484 179.871 -0.387 19876 10884 1 17 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.447 -0.179 19876 10885 1 17 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.032 -0.290 19876 10886 1 17 . 1 1 12 12 ALA H H 12 7.676 7.676 8.645 -0.969 19876 10887 1 17 . 1 1 13 13 GLN N N 13 119.544 119.544 118.561 0.983 19876 10888 1 17 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.967 0.040 19876 10889 1 17 . 1 1 13 13 GLN C C 13 176.075 176.075 178.663 -2.588 19876 10890 1 17 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.381 -1.149 19876 10891 1 17 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.329 -0.579 19876 10892 1 17 . 1 1 13 13 GLN H H 13 8.151 8.151 8.832 -0.681 19876 10893 1 17 . 1 1 14 14 LEU N N 14 121.127 121.127 121.477 -0.350 19876 10894 1 17 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.280 -0.724 19876 10895 1 17 . 1 1 14 14 LEU C C 14 176.935 176.935 178.795 -1.860 19876 10896 1 17 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.285 -0.561 19876 10897 1 17 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.774 -0.087 19876 10898 1 17 . 1 1 14 14 LEU H H 14 7.889 7.889 9.055 -1.166 19876 10899 1 17 . 1 1 15 15 LYS N N 15 120.458 120.458 119.426 1.032 19876 10900 1 17 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.260 -0.598 19876 10901 1 17 . 1 1 15 15 LYS C C 15 176.022 176.022 178.588 -2.566 19876 10902 1 17 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.288 0.750 19876 10903 1 17 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.440 0.771 19876 10904 1 17 . 1 1 15 15 LYS H H 15 8.174 8.174 8.090 0.084 19876 10905 1 17 . 1 1 16 16 PHE N N 16 119.257 119.257 121.508 -2.251 19876 10906 1 17 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.139 0.048 19876 10907 1 17 . 1 1 16 16 PHE C C 16 177.917 177.917 178.002 -0.085 19876 10908 1 17 . 1 1 16 16 PHE CA C 16 60.330 60.330 59.762 0.568 19876 10909 1 17 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.546 -0.052 19876 10910 1 17 . 1 1 16 16 PHE H H 16 7.855 7.855 8.882 -1.027 19876 10911 1 17 . 1 1 17 17 LEU N N 17 121.489 121.489 119.700 1.789 19876 10912 1 17 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.905 -0.307 19876 10913 1 17 . 1 1 17 17 LEU C C 17 177.988 177.988 179.182 -1.194 19876 10914 1 17 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.568 -0.605 19876 10915 1 17 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.596 1.102 19876 10916 1 17 . 1 1 17 17 LEU H H 17 8.560 8.560 8.824 -0.264 19876 10917 1 17 . 1 1 18 18 CYS N N 18 116.216 116.216 119.676 -3.460 19876 10918 1 17 . 1 1 18 18 CYS HA H 18 4.235 4.235 3.756 0.479 19876 10919 1 17 . 1 1 18 18 CYS C C 18 176.987 176.987 176.849 0.138 19876 10920 1 17 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.815 1.759 19876 10921 1 17 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.585 0.719 19876 10922 1 17 . 1 1 18 18 CYS H H 18 8.194 8.194 7.894 0.300 19876 10923 1 17 . 1 1 19 19 GLU N N 19 123.947 123.947 120.327 3.620 19876 10924 1 17 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.002 -0.117 19876 10925 1 17 . 1 1 19 19 GLU C C 19 176.436 176.436 179.252 -2.816 19876 10926 1 17 . 1 1 19 19 GLU CA C 19 59.886 59.886 60.150 -0.264 19876 10927 1 17 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.554 -0.273 19876 10928 1 17 . 1 1 19 19 GLU H H 19 8.842 8.842 8.878 -0.036 19876 10929 1 17 . 1 1 20 20 SER N N 20 116.500 116.500 115.719 0.781 19876 10930 1 17 . 1 1 20 20 SER HA H 20 4.056 4.056 4.030 0.026 19876 10931 1 17 . 1 1 20 20 SER C C 20 174.835 174.835 176.721 -1.886 19876 10932 1 17 . 1 1 20 20 SER CA C 20 61.729 61.729 62.041 -0.312 19876 10933 1 17 . 1 1 20 20 SER CB C 20 62.360 62.360 62.793 -0.433 19876 10934 1 17 . 1 1 20 20 SER H H 20 8.198 8.198 8.577 -0.379 19876 10935 1 17 . 1 1 21 21 LEU N N 21 121.186 121.186 123.930 -2.744 19876 10936 1 17 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.064 -0.153 19876 10937 1 17 . 1 1 21 21 LEU C C 21 175.905 175.905 178.264 -2.359 19876 10938 1 17 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.443 -0.490 19876 10939 1 17 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.132 -0.523 19876 10940 1 17 . 1 1 21 21 LEU H H 21 7.970 7.970 8.632 -0.662 19876 10941 1 17 . 1 1 22 22 TYR N N 22 119.690 119.690 119.742 -0.052 19876 10942 1 17 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.238 0.080 19876 10943 1 17 . 1 1 22 22 TYR C C 22 175.453 175.453 177.766 -2.313 19876 10944 1 17 . 1 1 22 22 TYR CA C 22 62.240 62.240 61.781 0.459 19876 10945 1 17 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.938 -0.795 19876 10946 1 17 . 1 1 22 22 TYR H H 22 7.473 7.473 9.121 -1.648 19876 10947 1 17 . 1 1 23 23 ASP N N 23 118.291 118.291 118.987 -0.696 19876 10948 1 17 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.321 -0.274 19876 10949 1 17 . 1 1 23 23 ASP C C 23 178.796 178.796 178.799 -0.003 19876 10950 1 17 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.107 -0.823 19876 10951 1 17 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.852 -0.969 19876 10952 1 17 . 1 1 23 23 ASP H H 23 8.249 8.249 8.477 -0.228 19876 10953 1 17 . 1 1 24 24 GLU N N 24 120.605 120.605 119.140 1.465 19876 10954 1 17 . 1 1 24 24 GLU HA H 24 3.931 3.931 4.034 -0.103 19876 10955 1 17 . 1 1 24 24 GLU C C 24 178.457 178.457 179.137 -0.680 19876 10956 1 17 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.024 -0.463 19876 10957 1 17 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.459 -0.537 19876 10958 1 17 . 1 1 24 24 GLU H H 24 8.347 8.347 8.295 0.052 19876 10959 1 17 . 1 1 25 25 GLY N N 25 111.777 111.777 109.501 2.276 19876 10960 1 17 . 1 1 25 25 GLY C C 25 173.906 173.906 176.398 -2.492 19876 10961 1 17 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.447 0.021 19876 10962 1 17 . 1 1 25 25 GLY H H 25 8.701 8.701 9.098 -0.397 19876 10963 1 17 . 1 1 26 26 ILE N N 26 122.263 122.263 122.880 -0.617 19876 10964 1 17 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.654 0.103 19876 10965 1 17 . 1 1 26 26 ILE C C 26 178.116 178.116 178.525 -0.409 19876 10966 1 17 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.410 -1.179 19876 10967 1 17 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.626 -0.938 19876 10968 1 17 . 1 1 26 26 ILE H H 26 8.717 8.717 8.491 0.226 19876 10969 1 17 . 1 1 27 27 ALA N N 27 122.092 122.092 121.492 0.600 19876 10970 1 17 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.085 -0.125 19876 10971 1 17 . 1 1 27 27 ALA C C 27 178.428 178.428 178.882 -0.454 19876 10972 1 17 . 1 1 27 27 ALA CA C 27 54.493 54.493 54.808 -0.315 19876 10973 1 17 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.663 -0.614 19876 10974 1 17 . 1 1 27 27 ALA H H 27 7.672 7.672 7.724 -0.052 19876 10975 1 17 . 1 1 28 28 THR N N 28 115.031 115.031 112.485 2.546 19876 10976 1 17 . 1 1 28 28 THR HA H 28 3.734 3.734 4.377 -0.643 19876 10977 1 17 . 1 1 28 28 THR C C 28 174.403 174.403 177.161 -2.758 19876 10978 1 17 . 1 1 28 28 THR CA C 28 65.750 65.750 64.771 0.979 19876 10979 1 17 . 1 1 28 28 THR CB C 28 68.530 68.530 69.432 -0.902 19876 10980 1 17 . 1 1 28 28 THR H H 28 7.554 7.554 7.909 -0.355 19876 10981 1 17 . 1 1 29 29 LEU N N 29 121.356 121.356 120.625 0.731 19876 10982 1 17 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.218 -0.408 19876 10983 1 17 . 1 1 29 29 LEU C C 29 176.694 176.694 177.784 -1.090 19876 10984 1 17 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.919 -0.425 19876 10985 1 17 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.867 0.312 19876 10986 1 17 . 1 1 29 29 LEU H H 29 7.580 7.580 8.545 -0.965 19876 10987 1 17 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.442 0.461 19876 10988 1 17 . 1 1 31 31 ASP N N 31 119.983 119.983 119.730 0.253 19876 10989 1 17 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.666 -0.103 19876 10990 1 17 . 1 1 31 31 ASP C C 31 175.609 175.609 175.145 0.464 19876 10991 1 17 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.222 0.660 19876 10992 1 17 . 1 1 31 31 ASP CB C 31 41.558 41.558 43.130 -1.572 19876 10993 1 17 . 1 1 31 31 ASP H H 31 8.017 8.017 7.524 0.493 19876 10994 1 17 . 1 1 32 32 SER N N 32 118.027 118.027 120.065 -2.038 19876 10995 1 17 . 1 1 32 32 SER HA H 32 4.191 4.191 4.535 -0.344 19876 10996 1 17 . 1 1 32 32 SER C C 32 178.747 178.747 175.313 3.434 19876 10997 1 17 . 1 1 32 32 SER CA C 32 59.247 59.247 58.955 0.292 19876 10998 1 17 . 1 1 32 32 SER CB C 32 63.224 63.224 61.361 1.863 19876 10999 1 17 . 1 1 32 32 SER H H 32 8.284 8.284 8.751 -0.467 19876 11000 1 17 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.469 -0.124 19876 11001 1 17 . 1 1 33 33 HIS CA C 33 57.029 57.029 59.833 -2.804 19876 11002 1 17 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.850 -0.291 19876 11003 1 17 . 1 1 34 34 HIS N N 34 117.885 117.885 115.604 2.281 19876 11004 1 17 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.519 -0.035 19876 11005 1 17 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.619 0.328 19876 11006 1 17 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.069 -0.302 19876 11007 1 17 . 1 1 34 34 HIS H H 34 7.896 7.896 8.519 -0.623 19876 11008 1 17 . 1 1 35 35 GLY N N 35 108.681 108.681 106.048 2.633 19876 11009 1 17 . 1 1 35 35 GLY C C 35 172.466 172.466 173.588 -1.122 19876 11010 1 17 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.904 -0.605 19876 11011 1 17 . 1 1 35 35 GLY H H 35 7.864 7.864 8.730 -0.866 19876 11012 1 17 . 1 1 36 36 TRP N N 36 120.973 120.973 118.856 2.117 19876 11013 1 17 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.773 -0.279 19876 11014 1 17 . 1 1 36 36 TRP C C 36 174.594 174.594 175.153 -0.559 19876 11015 1 17 . 1 1 36 36 TRP CA C 36 57.866 57.866 58.539 -0.673 19876 11016 1 17 . 1 1 36 36 TRP CB C 36 29.587 29.587 31.192 -1.605 19876 11017 1 17 . 1 1 36 36 TRP H H 36 7.809 7.809 7.935 -0.126 19876 11018 1 17 . 1 1 37 37 VAL N N 37 122.778 122.778 112.127 10.651 19876 11019 1 17 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.501 -0.714 19876 11020 1 17 . 1 1 37 37 VAL C C 37 173.396 173.396 173.982 -0.586 19876 11021 1 17 . 1 1 37 37 VAL CA C 37 61.284 61.284 58.877 2.407 19876 11022 1 17 . 1 1 37 37 VAL CB C 37 33.534 33.534 35.282 -1.748 19876 11023 1 17 . 1 1 37 37 VAL H H 37 7.712 7.712 7.594 0.118 19876 11024 1 17 . 1 1 38 38 ASN N N 38 121.869 121.869 119.354 2.515 19876 11025 1 17 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.832 -0.597 19876 11026 1 17 . 1 1 38 38 ASN C C 38 172.186 172.186 174.359 -2.173 19876 11027 1 17 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.685 1.385 19876 11028 1 17 . 1 1 38 38 ASN CB C 38 40.629 40.629 38.476 2.153 19876 11029 1 17 . 1 1 38 38 ASN H H 38 7.768 7.768 8.810 -1.042 19876 11030 1 17 . 1 1 39 39 ASP N N 39 123.332 123.332 124.116 -0.784 19876 11031 1 17 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.778 0.081 19876 11032 1 17 . 1 1 39 39 ASP C C 39 173.301 173.301 176.243 -2.942 19876 11033 1 17 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.261 -2.401 19876 11034 1 17 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.277 -0.569 19876 11035 1 17 . 1 1 39 39 ASP H H 39 8.300 8.300 8.654 -0.354 19876 11036 1 17 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.527 -0.371 19876 11037 1 17 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.494 -0.560 19876 11038 1 17 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.163 0.729 19876 11039 1 17 . 1 1 41 41 THR N N 41 107.824 107.824 106.053 1.771 19876 11040 1 17 . 1 1 41 41 THR HA H 41 4.191 4.191 4.433 -0.242 19876 11041 1 17 . 1 1 41 41 THR C C 41 173.405 173.405 174.428 -1.023 19876 11042 1 17 . 1 1 41 41 THR CA C 41 61.283 61.283 60.484 0.799 19876 11043 1 17 . 1 1 41 41 THR CB C 41 69.351 69.351 69.177 0.174 19876 11044 1 17 . 1 1 41 41 THR H H 41 7.923 7.923 8.166 -0.243 19876 11045 1 17 . 1 1 42 42 SER N N 42 118.745 118.745 117.749 0.996 19876 11046 1 17 . 1 1 42 42 SER HA H 42 4.187 4.187 4.416 -0.229 19876 11047 1 17 . 1 1 42 42 SER C C 42 172.750 172.750 175.890 -3.140 19876 11048 1 17 . 1 1 42 42 SER CA C 42 58.320 58.320 57.563 0.757 19876 11049 1 17 . 1 1 42 42 SER CB C 42 64.569 64.569 64.972 -0.403 19876 11050 1 17 . 1 1 42 42 SER H H 42 7.705 7.705 7.836 -0.131 19876 11051 1 17 . 1 1 43 43 ALA N N 43 124.591 124.591 127.931 -3.340 19876 11052 1 17 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.899 0.061 19876 11053 1 17 . 1 1 43 43 ALA C C 43 178.795 178.795 179.020 -0.225 19876 11054 1 17 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.499 -0.363 19876 11055 1 17 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.033 0.111 19876 11056 1 17 . 1 1 43 43 ALA H H 43 8.540 8.540 8.742 -0.202 19876 11057 1 17 . 1 1 44 44 VAL N N 44 115.734 115.734 118.008 -2.274 19876 11058 1 17 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.595 0.124 19876 11059 1 17 . 1 1 44 44 VAL C C 44 176.057 176.057 176.960 -0.903 19876 11060 1 17 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.151 -0.449 19876 11061 1 17 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.110 0.625 19876 11062 1 17 . 1 1 44 44 VAL H H 44 7.836 7.836 7.905 -0.070 19876 11063 1 17 . 1 1 45 45 ASN N N 45 123.038 123.038 118.752 4.286 19876 11064 1 17 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.617 0.427 19876 11065 1 17 . 1 1 45 45 ASN C C 45 176.022 176.022 177.693 -1.671 19876 11066 1 17 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.345 0.490 19876 11067 1 17 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.146 -0.425 19876 11068 1 17 . 1 1 45 45 ASN H H 45 7.709 7.709 7.279 0.430 19876 11069 1 17 . 1 1 46 46 LEU N N 46 122.005 122.005 120.530 1.475 19876 11070 1 17 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.860 0.066 19876 11071 1 17 . 1 1 46 46 LEU C C 46 178.192 178.192 179.010 -0.818 19876 11072 1 17 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.519 -0.476 19876 11073 1 17 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.688 -0.858 19876 11074 1 17 . 1 1 46 46 LEU H H 46 8.239 8.239 8.589 -0.350 19876 11075 1 17 . 1 1 47 47 GLN N N 47 119.394 119.394 118.954 0.440 19876 11076 1 17 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.880 0.091 19876 11077 1 17 . 1 1 47 47 GLN C C 47 177.762 177.762 178.812 -1.050 19876 11078 1 17 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.445 -0.754 19876 11079 1 17 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.625 -0.498 19876 11080 1 17 . 1 1 47 47 GLN H H 47 7.825 7.825 8.011 -0.186 19876 11081 1 17 . 1 1 48 48 LEU N N 48 122.808 122.808 120.242 2.566 19876 11082 1 17 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.847 -0.104 19876 11083 1 17 . 1 1 48 48 LEU C C 48 177.366 177.366 178.778 -1.412 19876 11084 1 17 . 1 1 48 48 LEU CA C 48 58.274 58.274 59.221 -0.947 19876 11085 1 17 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.423 0.036 19876 11086 1 17 . 1 1 48 48 LEU H H 48 7.625 7.625 8.567 -0.942 19876 11087 1 17 . 1 1 49 49 ASN N N 49 117.784 117.784 117.500 0.284 19876 11088 1 17 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.428 -0.142 19876 11089 1 17 . 1 1 49 49 ASN C C 49 176.893 176.893 177.598 -0.705 19876 11090 1 17 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.900 -0.764 19876 11091 1 17 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.107 -0.497 19876 11092 1 17 . 1 1 49 49 ASN H H 49 7.797 7.797 8.469 -0.672 19876 11093 1 17 . 1 1 50 50 ASP N N 50 120.887 120.887 120.742 0.145 19876 11094 1 17 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.473 -0.169 19876 11095 1 17 . 1 1 50 50 ASP C C 50 177.452 177.452 178.587 -1.135 19876 11096 1 17 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.308 0.079 19876 11097 1 17 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.085 -0.495 19876 11098 1 17 . 1 1 50 50 ASP H H 50 7.868 7.868 8.490 -0.622 19876 11099 1 17 . 1 1 51 51 LEU N N 51 123.117 123.117 119.121 3.996 19876 11100 1 17 . 1 1 51 51 LEU HA H 51 4.158 4.158 4.318 -0.160 19876 11101 1 17 . 1 1 51 51 LEU C C 51 177.345 177.345 178.960 -1.615 19876 11102 1 17 . 1 1 51 51 LEU CA C 51 57.964 57.964 57.720 0.244 19876 11103 1 17 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.144 -0.143 19876 11104 1 17 . 1 1 51 51 LEU H H 51 7.627 7.627 8.351 -0.724 19876 11105 1 17 . 1 1 52 52 ILE N N 52 120.007 120.007 120.134 -0.127 19876 11106 1 17 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.676 -0.309 19876 11107 1 17 . 1 1 52 52 ILE C C 52 176.246 176.246 177.927 -1.681 19876 11108 1 17 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.689 0.331 19876 11109 1 17 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.368 0.814 19876 11110 1 17 . 1 1 52 52 ILE H H 52 8.309 8.309 9.003 -0.694 19876 11111 1 17 . 1 1 53 53 GLU N N 53 117.619 117.619 119.728 -2.109 19876 11112 1 17 . 1 1 53 53 GLU HA H 53 3.931 3.931 4.008 -0.077 19876 11113 1 17 . 1 1 53 53 GLU C C 53 178.193 178.193 178.946 -0.753 19876 11114 1 17 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.957 -0.504 19876 11115 1 17 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.367 -0.019 19876 11116 1 17 . 1 1 53 53 GLU H H 53 7.965 7.965 7.998 -0.033 19876 11117 1 17 . 1 1 54 54 HIS N N 54 120.335 120.335 121.069 -0.734 19876 11118 1 17 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.384 -0.072 19876 11119 1 17 . 1 1 54 54 HIS C C 54 177.331 177.331 178.279 -0.948 19876 11120 1 17 . 1 1 54 54 HIS CA C 54 59.562 59.562 60.147 -0.585 19876 11121 1 17 . 1 1 54 54 HIS CB C 54 30.197 30.197 30.008 0.189 19876 11122 1 17 . 1 1 54 54 HIS H H 54 8.117 8.117 8.156 -0.039 19876 11123 1 17 . 1 1 55 55 ILE N N 55 120.694 120.694 119.708 0.986 19876 11124 1 17 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.853 -0.414 19876 11125 1 17 . 1 1 55 55 ILE C C 55 176.281 176.281 177.686 -1.405 19876 11126 1 17 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.652 0.299 19876 11127 1 17 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.755 -0.727 19876 11128 1 17 . 1 1 55 55 ILE H H 55 8.655 8.655 8.872 -0.217 19876 11129 1 17 . 1 1 56 56 ALA N N 56 123.896 123.896 123.586 0.310 19876 11130 1 17 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.852 -0.091 19876 11131 1 17 . 1 1 56 56 ALA C C 56 179.581 179.581 179.585 -0.004 19876 11132 1 17 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.643 -0.031 19876 11133 1 17 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.205 -0.556 19876 11134 1 17 . 1 1 56 56 ALA H H 56 9.063 9.063 8.733 0.330 19876 11135 1 17 . 1 1 57 57 SER N N 57 114.014 114.014 115.566 -1.552 19876 11136 1 17 . 1 1 57 57 SER HA H 57 4.165 4.165 4.207 -0.042 19876 11137 1 17 . 1 1 57 57 SER C C 57 175.540 175.540 176.630 -1.090 19876 11138 1 17 . 1 1 57 57 SER CA C 57 61.491 61.491 60.962 0.529 19876 11139 1 17 . 1 1 57 57 SER CB C 57 62.640 62.640 62.498 0.142 19876 11140 1 17 . 1 1 57 57 SER H H 57 7.918 7.918 8.750 -0.832 19876 11141 1 17 . 1 1 58 58 PHE N N 58 125.013 125.013 124.933 0.080 19876 11142 1 17 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.407 -0.389 19876 11143 1 17 . 1 1 58 58 PHE C C 58 177.343 177.343 178.075 -0.732 19876 11144 1 17 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.859 0.817 19876 11145 1 17 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.036 0.148 19876 11146 1 17 . 1 1 58 58 PHE H H 58 8.024 8.024 8.435 -0.411 19876 11147 1 17 . 1 1 59 59 VAL N N 59 120.373 120.373 120.622 -0.249 19876 11148 1 17 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.300 0.357 19876 11149 1 17 . 1 1 59 59 VAL C C 59 175.403 175.403 178.013 -2.610 19876 11150 1 17 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.157 -1.055 19876 11151 1 17 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.531 -0.093 19876 11152 1 17 . 1 1 59 59 VAL H H 59 9.263 9.263 9.017 0.246 19876 11153 1 17 . 1 1 60 60 MET N N 60 120.360 120.360 119.182 1.178 19876 11154 1 17 . 1 1 60 60 MET HA H 60 4.002 4.002 3.843 0.159 19876 11155 1 17 . 1 1 60 60 MET C C 60 177.417 177.417 178.244 -0.827 19876 11156 1 17 . 1 1 60 60 MET CA C 60 59.396 59.396 59.937 -0.541 19876 11157 1 17 . 1 1 60 60 MET CB C 60 31.986 31.986 32.544 -0.558 19876 11158 1 17 . 1 1 60 60 MET H H 60 7.826 7.826 8.571 -0.745 19876 11159 1 17 . 1 1 61 61 SER N N 61 113.289 113.289 114.892 -1.603 19876 11160 1 17 . 1 1 61 61 SER HA H 61 4.035 4.035 4.085 -0.050 19876 11161 1 17 . 1 1 61 61 SER CA C 61 61.619 61.619 61.415 0.204 19876 11162 1 17 . 1 1 61 61 SER CB C 61 62.600 62.600 62.545 0.055 19876 11163 1 17 . 1 1 61 61 SER H H 61 7.230 7.230 7.779 -0.549 19876 11164 1 17 . 1 1 62 62 PHE N N 62 126.395 126.395 123.875 2.520 19876 11165 1 17 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.913 -0.272 19876 11166 1 17 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.194 -0.250 19876 11167 1 17 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.934 1.528 19876 11168 1 17 . 1 1 62 62 PHE H H 62 8.681 8.681 8.379 0.302 19876 11169 1 17 . 1 1 63 63 LYS N N 63 116.676 116.676 118.303 -1.627 19876 11170 1 17 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.027 0.005 19876 11171 1 17 . 1 1 63 63 LYS C C 63 177.262 177.262 179.149 -1.887 19876 11172 1 17 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.123 -0.435 19876 11173 1 17 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.120 0.729 19876 11174 1 17 . 1 1 63 63 LYS H H 63 8.585 8.585 8.636 -0.051 19876 11175 1 17 . 1 1 64 64 ILE N N 64 117.020 117.020 118.990 -1.970 19876 11176 1 17 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.723 -0.200 19876 11177 1 17 . 1 1 64 64 ILE C C 64 176.151 176.151 177.838 -1.687 19876 11178 1 17 . 1 1 64 64 ILE CA C 64 62.993 62.993 64.019 -1.026 19876 11179 1 17 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.965 0.212 19876 11180 1 17 . 1 1 64 64 ILE H H 64 6.751 6.751 7.747 -0.996 19876 11181 1 17 . 1 1 65 65 LYS N N 65 120.165 120.165 118.776 1.389 19876 11182 1 17 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.047 -0.608 19876 11183 1 17 . 1 1 65 65 LYS C C 65 175.133 175.133 177.158 -2.025 19876 11184 1 17 . 1 1 65 65 LYS CA C 65 58.955 58.955 57.567 1.388 19876 11185 1 17 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.182 -0.225 19876 11186 1 17 . 1 1 65 65 LYS H H 65 7.058 7.058 7.672 -0.614 19876 11187 1 17 . 1 1 66 66 TYR N N 66 115.421 115.421 121.416 -5.995 19876 11188 1 17 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.858 0.030 19876 11189 1 17 . 1 1 66 66 TYR C C 66 173.061 173.061 174.607 -1.546 19876 11190 1 17 . 1 1 66 66 TYR CA C 66 54.529 54.529 54.559 -0.030 19876 11191 1 17 . 1 1 66 66 TYR CB C 66 36.669 36.669 38.065 -1.396 19876 11192 1 17 . 1 1 66 66 TYR H H 66 7.784 7.784 8.404 -0.620 19876 11193 1 17 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.364 -0.007 19876 11194 1 17 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.849 -0.339 19876 11195 1 17 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.143 -0.238 19876 11196 1 17 . 1 1 68 68 ASP N N 68 117.110 117.110 116.121 0.989 19876 11197 1 17 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.477 0.250 19876 11198 1 17 . 1 1 68 68 ASP C C 68 175.024 175.024 176.103 -1.079 19876 11199 1 17 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.520 -0.777 19876 11200 1 17 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.714 -0.220 19876 11201 1 17 . 1 1 68 68 ASP H H 68 8.548 8.548 8.654 -0.106 19876 11202 1 17 . 1 1 69 69 ASP N N 69 122.994 122.994 119.231 3.763 19876 11203 1 17 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.380 0.611 19876 11204 1 17 . 1 1 69 69 ASP C C 69 174.782 174.782 177.913 -3.131 19876 11205 1 17 . 1 1 69 69 ASP CA C 69 54.315 54.315 54.107 0.208 19876 11206 1 17 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.849 -0.686 19876 11207 1 17 . 1 1 69 69 ASP H H 69 7.545 7.545 7.567 -0.022 19876 11208 1 17 . 1 1 70 70 GLY N N 70 107.712 107.712 109.032 -1.320 19876 11209 1 17 . 1 1 70 70 GLY C C 70 173.987 173.987 175.660 -1.673 19876 11210 1 17 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.526 -0.194 19876 11211 1 17 . 1 1 70 70 GLY H H 70 7.879 7.879 7.731 0.148 19876 11212 1 17 . 1 1 71 71 ASP N N 71 119.785 119.785 122.379 -2.594 19876 11213 1 17 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.601 -0.406 19876 11214 1 17 . 1 1 71 71 ASP C C 71 177.114 177.114 178.703 -1.589 19876 11215 1 17 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.198 -0.146 19876 11216 1 17 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.349 -1.004 19876 11217 1 17 . 1 1 71 71 ASP H H 71 8.447 8.447 7.892 0.555 19876 11218 1 17 . 1 1 72 72 LEU N N 72 119.776 119.776 120.834 -1.058 19876 11219 1 17 . 1 1 72 72 LEU HA H 72 3.867 3.867 4.076 -0.209 19876 11220 1 17 . 1 1 72 72 LEU C C 72 176.531 176.531 178.119 -1.588 19876 11221 1 17 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.818 -0.366 19876 11222 1 17 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.831 -0.096 19876 11223 1 17 . 1 1 72 72 LEU H H 72 7.562 7.562 8.136 -0.574 19876 11224 1 17 . 1 1 73 73 SER N N 73 113.964 113.964 115.316 -1.352 19876 11225 1 17 . 1 1 73 73 SER HA H 73 3.605 3.605 3.995 -0.390 19876 11226 1 17 . 1 1 73 73 SER C C 73 174.610 174.610 176.600 -1.990 19876 11227 1 17 . 1 1 73 73 SER CA C 73 62.161 62.161 62.148 0.013 19876 11228 1 17 . 1 1 73 73 SER CB C 73 62.158 62.158 62.617 -0.459 19876 11229 1 17 . 1 1 73 73 SER H H 73 8.050 8.050 8.148 -0.098 19876 11230 1 17 . 1 1 74 74 GLU N N 74 119.742 119.742 122.724 -2.982 19876 11231 1 17 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.362 -0.291 19876 11232 1 17 . 1 1 74 74 GLU C C 74 178.089 178.089 178.744 -0.655 19876 11233 1 17 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.040 0.062 19876 11234 1 17 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.355 -0.142 19876 11235 1 17 . 1 1 74 74 GLU H H 74 8.623 8.623 8.698 -0.075 19876 11236 1 17 . 1 1 75 75 LEU N N 75 122.325 122.325 121.463 0.862 19876 11237 1 17 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.073 0.170 19876 11238 1 17 . 1 1 75 75 LEU C C 75 177.962 177.962 179.194 -1.232 19876 11239 1 17 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.542 -0.162 19876 11240 1 17 . 1 1 75 75 LEU CB C 75 41.404 41.404 40.984 0.420 19876 11241 1 17 . 1 1 75 75 LEU H H 75 7.255 7.255 7.608 -0.353 19876 11242 1 17 . 1 1 76 76 VAL N N 76 119.514 119.514 119.395 0.119 19876 11243 1 17 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.283 0.304 19876 11244 1 17 . 1 1 76 76 VAL C C 76 176.909 176.909 177.500 -0.591 19876 11245 1 17 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.243 0.017 19876 11246 1 17 . 1 1 76 76 VAL CB C 76 30.943 30.943 30.977 -0.034 19876 11247 1 17 . 1 1 76 76 VAL H H 76 8.235 8.235 8.705 -0.470 19876 11248 1 17 . 1 1 77 77 GLU N N 77 118.692 118.692 119.892 -1.200 19876 11249 1 17 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.699 0.040 19876 11250 1 17 . 1 1 77 77 GLU C C 77 177.692 177.692 179.040 -1.348 19876 11251 1 17 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.027 0.980 19876 11252 1 17 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.135 0.022 19876 11253 1 17 . 1 1 77 77 GLU H H 77 8.204 8.204 8.492 -0.288 19876 11254 1 17 . 1 1 78 78 GLU N N 78 121.945 121.945 119.560 2.385 19876 11255 1 17 . 1 1 78 78 GLU HA H 78 4.028 4.028 3.998 0.030 19876 11256 1 17 . 1 1 78 78 GLU C C 78 176.559 176.559 179.157 -2.598 19876 11257 1 17 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.742 -0.168 19876 11258 1 17 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.663 0.222 19876 11259 1 17 . 1 1 78 78 GLU H H 78 8.058 8.058 8.761 -0.703 19876 11260 1 17 . 1 1 79 79 TYR N N 79 119.945 119.945 119.597 0.348 19876 11261 1 17 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.607 -0.207 19876 11262 1 17 . 1 1 79 79 TYR C C 79 178.365 178.365 178.076 0.289 19876 11263 1 17 . 1 1 79 79 TYR CA C 79 60.101 60.101 59.768 0.333 19876 11264 1 17 . 1 1 79 79 TYR CB C 79 38.638 38.638 37.532 1.106 19876 11265 1 17 . 1 1 79 79 TYR H H 79 8.347 8.347 8.671 -0.324 19876 11266 1 17 . 1 1 80 80 LEU N N 80 123.586 123.586 122.157 1.429 19876 11267 1 17 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.869 -0.220 19876 11268 1 17 . 1 1 80 80 LEU C C 80 177.594 177.594 179.222 -1.628 19876 11269 1 17 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.320 0.359 19876 11270 1 17 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.159 -0.517 19876 11271 1 17 . 1 1 80 80 LEU H H 80 9.113 9.113 8.288 0.825 19876 11272 1 17 . 1 1 81 81 ASP N N 81 121.522 121.522 119.254 2.268 19876 11273 1 17 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.287 0.119 19876 11274 1 17 . 1 1 81 81 ASP C C 81 178.021 178.021 178.525 -0.504 19876 11275 1 17 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.368 -0.679 19876 11276 1 17 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.804 -0.162 19876 11277 1 17 . 1 1 81 81 ASP H H 81 8.228 8.228 8.724 -0.496 19876 11278 1 17 . 1 1 82 82 ASP N N 82 120.931 120.931 120.083 0.848 19876 11279 1 17 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.456 -0.034 19876 11280 1 17 . 1 1 82 82 ASP C C 82 178.342 178.342 178.912 -0.570 19876 11281 1 17 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.901 0.006 19876 11282 1 17 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.695 0.138 19876 11283 1 17 . 1 1 82 82 ASP H H 82 9.139 9.139 8.774 0.365 19876 11284 1 17 . 1 1 83 83 THR N N 83 118.686 118.686 118.079 0.607 19876 11285 1 17 . 1 1 83 83 THR HA H 83 3.415 3.415 3.473 -0.058 19876 11286 1 17 . 1 1 83 83 THR C C 83 173.663 173.663 176.216 -2.553 19876 11287 1 17 . 1 1 83 83 THR CA C 83 67.258 67.258 67.237 0.021 19876 11288 1 17 . 1 1 83 83 THR CB C 83 68.017 68.017 69.057 -1.040 19876 11289 1 17 . 1 1 83 83 THR H H 83 8.394 8.394 9.053 -0.659 19876 11290 1 17 . 1 1 84 84 TYR N N 84 122.004 122.004 122.695 -0.691 19876 11291 1 17 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.252 -0.509 19876 11292 1 17 . 1 1 84 84 TYR C C 84 177.983 177.983 177.965 0.018 19876 11293 1 17 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.454 0.653 19876 11294 1 17 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.436 0.015 19876 11295 1 17 . 1 1 84 84 TYR H H 84 8.561 8.561 8.858 -0.297 19876 11296 1 17 . 1 1 85 85 THR N N 85 116.249 116.249 116.061 0.188 19876 11297 1 17 . 1 1 85 85 THR HA H 85 3.409 3.409 3.881 -0.472 19876 11298 1 17 . 1 1 85 85 THR C C 85 174.628 174.628 176.676 -2.048 19876 11299 1 17 . 1 1 85 85 THR CA C 85 66.483 66.483 66.411 0.072 19876 11300 1 17 . 1 1 85 85 THR CB C 85 68.604 68.604 68.693 -0.089 19876 11301 1 17 . 1 1 85 85 THR H H 85 8.749 8.749 8.561 0.188 19876 11302 1 17 . 1 1 86 86 LEU N N 86 121.835 121.835 122.503 -0.668 19876 11303 1 17 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.846 -0.291 19876 11304 1 17 . 1 1 86 86 LEU C C 86 176.057 176.057 179.468 -3.411 19876 11305 1 17 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.604 0.402 19876 11306 1 17 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.457 1.316 19876 11307 1 17 . 1 1 86 86 LEU H H 86 7.257 7.257 8.456 -1.199 19876 11308 1 17 . 1 1 87 87 PHE N N 87 111.264 111.264 116.271 -5.007 19876 11309 1 17 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.176 -0.199 19876 11310 1 17 . 1 1 87 87 PHE C C 87 174.687 174.687 178.284 -3.597 19876 11311 1 17 . 1 1 87 87 PHE CA C 87 60.740 60.740 59.775 0.965 19876 11312 1 17 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.365 1.066 19876 11313 1 17 . 1 1 87 87 PHE H H 87 7.168 7.168 8.130 -0.962 19876 11314 1 17 . 1 1 88 88 SER N N 88 112.848 112.848 114.219 -1.371 19876 11315 1 17 . 1 1 88 88 SER HA H 88 4.207 4.207 4.227 -0.020 19876 11316 1 17 . 1 1 88 88 SER C C 88 172.760 172.760 174.818 -2.058 19876 11317 1 17 . 1 1 88 88 SER CA C 88 58.725 58.725 60.025 -1.300 19876 11318 1 17 . 1 1 88 88 SER CB C 88 63.342 63.342 63.227 0.115 19876 11319 1 17 . 1 1 88 88 SER H H 88 7.290 7.290 7.629 -0.339 19876 11320 1 17 . 1 1 89 89 SER N N 89 116.554 116.554 117.793 -1.239 19876 11321 1 17 . 1 1 89 89 SER HA H 89 4.347 4.347 4.271 0.076 19876 11322 1 17 . 1 1 89 89 SER C C 89 172.251 172.251 173.618 -1.367 19876 11323 1 17 . 1 1 89 89 SER CA C 89 57.597 57.597 58.318 -0.721 19876 11324 1 17 . 1 1 89 89 SER CB C 89 64.426 64.426 63.711 0.715 19876 11325 1 17 . 1 1 89 89 SER H H 89 7.064 7.064 7.758 -0.694 19876 11326 1 17 . 1 1 90 90 TYR N N 90 122.348 122.348 124.935 -2.587 19876 11327 1 17 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.477 -0.134 19876 11328 1 17 . 1 1 90 90 TYR C C 90 175.043 175.043 176.851 -1.808 19876 11329 1 17 . 1 1 90 90 TYR CA C 90 58.972 58.972 55.155 3.817 19876 11330 1 17 . 1 1 90 90 TYR CB C 90 37.626 37.626 36.455 1.171 19876 11331 1 17 . 1 1 90 90 TYR H H 90 8.446 8.446 8.471 -0.025 19876 11332 1 17 . 1 1 91 91 GLY N N 91 111.349 111.349 113.190 -1.841 19876 11333 1 17 . 1 1 91 91 GLY C C 91 170.874 170.874 173.489 -2.615 19876 11334 1 17 . 1 1 91 91 GLY CA C 91 44.734 44.734 44.530 0.204 19876 11335 1 17 . 1 1 91 91 GLY H H 91 7.820 7.820 8.199 -0.379 19876 11336 1 17 . 1 1 92 92 ILE N N 92 121.703 121.703 123.403 -1.700 19876 11337 1 17 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.727 0.151 19876 11338 1 17 . 1 1 92 92 ILE C C 92 173.956 173.956 176.177 -2.221 19876 11339 1 17 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.374 -0.247 19876 11340 1 17 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.890 1.552 19876 11341 1 17 . 1 1 92 92 ILE H H 92 8.032 8.032 8.474 -0.442 19876 11342 1 17 . 1 1 93 93 ASN N N 93 125.791 125.791 126.333 -0.542 19876 11343 1 17 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.912 0.002 19876 11344 1 17 . 1 1 93 93 ASN C C 93 173.468 173.468 175.442 -1.974 19876 11345 1 17 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.510 -1.068 19876 11346 1 17 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.594 -0.447 19876 11347 1 17 . 1 1 93 93 ASN H H 93 8.423 8.423 8.910 -0.487 19876 11348 1 17 . 1 1 94 94 ASP N N 94 122.019 122.019 125.500 -3.481 19876 11349 1 17 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.477 0.014 19876 11350 1 17 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.253 -0.135 19876 11351 1 17 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.704 -0.416 19876 11352 1 17 . 1 1 94 94 ASP H H 94 8.710 8.710 9.029 -0.319 19876 11353 1 17 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.272 -0.118 19876 11354 1 17 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.136 0.418 19876 11355 1 17 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.172 -0.423 19876 11356 1 17 . 1 1 96 96 GLU N N 96 117.965 117.965 118.205 -0.240 19876 11357 1 17 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.038 -0.177 19876 11358 1 17 . 1 1 96 96 GLU C C 96 177.730 177.730 178.925 -1.195 19876 11359 1 17 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.167 0.715 19876 11360 1 17 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.747 0.091 19876 11361 1 17 . 1 1 96 96 GLU H H 96 7.954 7.954 8.394 -0.440 19876 11362 1 17 . 1 1 97 97 LEU N N 97 124.427 124.427 122.196 2.231 19876 11363 1 17 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.920 0.189 19876 11364 1 17 . 1 1 97 97 LEU C C 97 177.211 177.211 179.085 -1.874 19876 11365 1 17 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.197 -0.146 19876 11366 1 17 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.772 -0.001 19876 11367 1 17 . 1 1 97 97 LEU H H 97 7.825 7.825 8.549 -0.724 19876 11368 1 17 . 1 1 98 98 GLN N N 98 117.195 117.195 116.689 0.506 19876 11369 1 17 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.045 -0.055 19876 11370 1 17 . 1 1 98 98 GLN C C 98 177.762 177.762 178.770 -1.008 19876 11371 1 17 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.608 0.016 19876 11372 1 17 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.905 0.096 19876 11373 1 17 . 1 1 98 98 GLN H H 98 8.481 8.481 8.900 -0.419 19876 11374 1 17 . 1 1 99 99 ARG N N 99 119.687 119.687 121.608 -1.921 19876 11375 1 17 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.087 -0.165 19876 11376 1 17 . 1 1 99 99 ARG C C 99 176.055 176.055 178.369 -2.314 19876 11377 1 17 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.656 -0.043 19876 11378 1 17 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.979 0.343 19876 11379 1 17 . 1 1 99 99 ARG H H 99 7.836 7.836 7.659 0.177 19876 11380 1 17 . 1 1 100 100 TRP N N 100 119.762 119.762 122.104 -2.342 19876 11381 1 17 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.569 -0.340 19876 11382 1 17 . 1 1 100 100 TRP C C 100 176.004 176.004 178.546 -2.542 19876 11383 1 17 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.226 0.779 19876 11384 1 17 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.214 -0.266 19876 11385 1 17 . 1 1 100 100 TRP H H 100 7.731 7.731 8.623 -0.892 19876 11386 1 17 . 1 1 101 101 GLN N N 101 115.464 115.464 116.760 -1.296 19876 11387 1 17 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.915 -0.430 19876 11388 1 17 . 1 1 101 101 GLN C C 101 177.498 177.498 178.971 -1.473 19876 11389 1 17 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.421 -0.257 19876 11390 1 17 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.253 -0.171 19876 11391 1 17 . 1 1 101 101 GLN H H 101 8.277 8.277 8.770 -0.493 19876 11392 1 17 . 1 1 102 102 LYS N N 102 119.856 119.856 120.052 -0.196 19876 11393 1 17 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.011 -0.099 19876 11394 1 17 . 1 1 102 102 LYS C C 102 178.364 178.364 179.123 -0.759 19876 11395 1 17 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.566 -0.387 19876 11396 1 17 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.290 -0.465 19876 11397 1 17 . 1 1 102 102 LYS H H 102 8.047 8.047 8.343 -0.296 19876 11398 1 17 . 1 1 103 103 THR N N 103 121.217 121.217 116.338 4.879 19876 11399 1 17 . 1 1 103 103 THR HA H 103 3.658 3.658 3.959 -0.301 19876 11400 1 17 . 1 1 103 103 THR C C 103 174.266 174.266 176.509 -2.243 19876 11401 1 17 . 1 1 103 103 THR CA C 103 66.206 66.206 66.621 -0.414 19876 11402 1 17 . 1 1 103 103 THR CB C 103 67.515 67.515 68.592 -1.077 19876 11403 1 17 . 1 1 103 103 THR H H 103 8.816 8.816 8.624 0.192 19876 11404 1 17 . 1 1 104 104 LYS N N 104 122.265 122.265 120.710 1.555 19876 11405 1 17 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.822 -0.771 19876 11406 1 17 . 1 1 104 104 LYS C C 104 176.952 176.952 178.639 -1.687 19876 11407 1 17 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.019 1.501 19876 11408 1 17 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.906 -0.566 19876 11409 1 17 . 1 1 104 104 LYS H H 104 8.258 8.258 7.960 0.298 19876 11410 1 17 . 1 1 105 105 GLU N N 105 118.912 118.912 120.085 -1.173 19876 11411 1 17 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.691 -0.093 19876 11412 1 17 . 1 1 105 105 GLU C C 105 178.038 178.038 178.825 -0.787 19876 11413 1 17 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.810 -0.292 19876 11414 1 17 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.163 -0.131 19876 11415 1 17 . 1 1 105 105 GLU H H 105 7.963 7.963 7.384 0.579 19876 11416 1 17 . 1 1 106 106 ARG N N 106 120.201 120.201 119.373 0.828 19876 11417 1 17 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.998 -0.302 19876 11418 1 17 . 1 1 106 106 ARG C C 106 177.744 177.744 179.232 -1.488 19876 11419 1 17 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.194 0.800 19876 11420 1 17 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.974 0.814 19876 11421 1 17 . 1 1 106 106 ARG H H 106 7.940 7.940 8.284 -0.344 19876 11422 1 17 . 1 1 107 107 LEU N N 107 120.982 120.982 120.435 0.547 19876 11423 1 17 . 1 1 107 107 LEU HA H 107 3.745 3.745 4.133 -0.388 19876 11424 1 17 . 1 1 107 107 LEU C C 107 176.173 176.173 178.750 -2.577 19876 11425 1 17 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.396 -0.959 19876 11426 1 17 . 1 1 107 107 LEU CB C 107 40.869 40.869 42.158 -1.289 19876 11427 1 17 . 1 1 107 107 LEU H H 107 8.242 8.242 7.929 0.313 19876 11428 1 17 . 1 1 108 108 PHE N N 108 117.793 117.793 119.292 -1.499 19876 11429 1 17 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.331 -0.329 19876 11430 1 17 . 1 1 108 108 PHE C C 108 177.654 177.654 178.017 -0.363 19876 11431 1 17 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.151 0.038 19876 11432 1 17 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.042 -1.258 19876 11433 1 17 . 1 1 108 108 PHE H H 108 8.772 8.772 8.724 0.048 19876 11434 1 17 . 1 1 109 109 ARG N N 109 121.726 121.726 118.845 2.881 19876 11435 1 17 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.033 -0.027 19876 11436 1 17 . 1 1 109 109 ARG C C 109 177.785 177.785 178.266 -0.481 19876 11437 1 17 . 1 1 109 109 ARG CA C 109 59.342 59.342 59.133 0.209 19876 11438 1 17 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.622 0.176 19876 11439 1 17 . 1 1 109 109 ARG H H 109 7.865 7.865 8.875 -1.010 19876 11440 1 17 . 1 1 110 110 LEU N N 110 121.486 121.486 118.743 2.743 19876 11441 1 17 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.189 -0.095 19876 11442 1 17 . 1 1 110 110 LEU C C 110 178.537 178.537 178.101 0.436 19876 11443 1 17 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.410 0.431 19876 11444 1 17 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.708 -0.887 19876 11445 1 17 . 1 1 110 110 LEU H H 110 7.338 7.338 7.512 -0.174 19876 11446 1 17 . 1 1 111 111 PHE N N 111 115.883 115.883 119.835 -3.952 19876 11447 1 17 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.082 0.234 19876 11448 1 17 . 1 1 111 111 PHE C C 111 175.369 175.369 177.622 -2.253 19876 11449 1 17 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.514 -2.434 19876 11450 1 17 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.572 -0.061 19876 11451 1 17 . 1 1 111 111 PHE H H 111 7.584 7.584 8.767 -1.183 19876 11452 1 17 . 1 1 112 112 SER N N 112 111.693 111.693 113.079 -1.386 19876 11453 1 17 . 1 1 112 112 SER HA H 112 4.329 4.329 4.398 -0.069 19876 11454 1 17 . 1 1 112 112 SER C C 112 173.353 173.353 174.944 -1.591 19876 11455 1 17 . 1 1 112 112 SER CA C 112 59.050 59.050 59.083 -0.033 19876 11456 1 17 . 1 1 112 112 SER CB C 112 63.841 63.841 63.118 0.723 19876 11457 1 17 . 1 1 112 112 SER H H 112 7.554 7.554 8.308 -0.754 19876 11458 1 17 . 1 1 113 113 GLY N N 113 109.665 109.665 107.679 1.986 19876 11459 1 17 . 1 1 113 113 GLY C C 113 173.407 173.407 173.746 -0.339 19876 11460 1 17 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.141 0.234 19876 11461 1 17 . 1 1 113 113 GLY H H 113 7.781 7.781 7.677 0.104 19876 11462 1 17 . 1 1 114 114 GLU N N 114 121.028 121.028 121.165 -0.137 19876 11463 1 17 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.355 -0.353 19876 11464 1 17 . 1 1 114 114 GLU C C 114 175.971 175.971 177.239 -1.268 19876 11465 1 17 . 1 1 114 114 GLU CA C 114 58.310 58.310 55.888 2.422 19876 11466 1 17 . 1 1 114 114 GLU CB C 114 30.164 30.164 30.090 0.074 19876 11467 1 17 . 1 1 114 114 GLU H H 114 8.414 8.414 8.257 0.157 19876 11468 1 17 . 1 1 115 115 TYR N N 115 118.828 118.828 117.206 1.622 19876 11469 1 17 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.573 -0.261 19876 11470 1 17 . 1 1 115 115 TYR C C 115 175.248 175.248 178.349 -3.101 19876 11471 1 17 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.399 0.335 19876 11472 1 17 . 1 1 115 115 TYR CB C 115 38.371 38.371 37.965 0.406 19876 11473 1 17 . 1 1 115 115 TYR H H 115 7.939 7.939 7.520 0.419 19876 11474 1 17 . 1 1 116 116 ILE N N 116 120.412 120.412 121.324 -0.912 19876 11475 1 17 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.555 0.188 19876 11476 1 17 . 1 1 116 116 ILE C C 116 175.591 175.591 177.998 -2.407 19876 11477 1 17 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.506 -2.370 19876 11478 1 17 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.650 0.577 19876 11479 1 17 . 1 1 116 116 ILE H H 116 7.892 7.892 8.055 -0.163 19876 11480 1 17 . 1 1 117 117 SER N N 117 117.142 117.142 114.408 2.734 19876 11481 1 17 . 1 1 117 117 SER HA H 117 4.141 4.141 4.091 0.050 19876 11482 1 17 . 1 1 117 117 SER C C 117 174.795 174.795 177.021 -2.226 19876 11483 1 17 . 1 1 117 117 SER CA C 117 60.437 60.437 62.096 -1.659 19876 11484 1 17 . 1 1 117 117 SER CB C 117 62.987 62.987 62.236 0.751 19876 11485 1 17 . 1 1 117 117 SER H H 117 8.127 8.127 8.843 -0.716 19876 11486 1 17 . 1 1 118 118 THR N N 118 115.779 115.779 115.468 0.311 19876 11487 1 17 . 1 1 118 118 THR HA H 118 3.987 3.987 4.052 -0.065 19876 11488 1 17 . 1 1 118 118 THR C C 118 174.025 174.025 175.753 -1.728 19876 11489 1 17 . 1 1 118 118 THR CA C 118 64.026 64.026 64.432 -0.406 19876 11490 1 17 . 1 1 118 118 THR CB C 118 68.953 68.953 68.678 0.275 19876 11491 1 17 . 1 1 118 118 THR H H 118 7.872 7.872 7.486 0.386 19876 11492 1 17 . 1 1 119 119 LEU N N 119 122.845 122.845 121.138 1.707 19876 11493 1 17 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.902 0.146 19876 11494 1 17 . 1 1 119 119 LEU C C 119 176.246 176.246 178.339 -2.093 19876 11495 1 17 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.740 -1.659 19876 11496 1 17 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.273 -0.068 19876 11497 1 17 . 1 1 119 119 LEU H H 119 7.679 7.679 8.040 -0.361 19876 11498 1 17 . 1 1 120 120 MET N N 120 117.447 117.447 112.212 5.235 19876 11499 1 17 . 1 1 120 120 MET HA H 120 4.243 4.243 4.518 -0.275 19876 11500 1 17 . 1 1 120 120 MET C C 120 174.594 174.594 176.923 -2.329 19876 11501 1 17 . 1 1 120 120 MET CA C 120 55.470 55.470 57.568 -2.098 19876 11502 1 17 . 1 1 120 120 MET CB C 120 32.606 32.606 33.117 -0.512 19876 11503 1 17 . 1 1 120 120 MET H H 120 7.812 7.812 8.247 -0.435 19876 11504 1 17 . 1 1 121 121 LYS N N 121 121.578 121.578 119.373 2.205 19876 11505 1 17 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.234 0.001 19876 11506 1 17 . 1 1 121 121 LYS C C 121 174.539 174.539 176.545 -2.006 19876 11507 1 17 . 1 1 121 121 LYS CA C 121 56.481 56.481 57.329 -0.848 19876 11508 1 17 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.299 -0.333 19876 11509 1 17 . 1 1 121 121 LYS H H 121 7.790 7.790 8.004 -0.214 19876 11510 1 18 . 1 1 2 2 ASP N N 2 122.949 122.949 122.756 0.193 19876 11511 1 18 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.828 -0.384 19876 11512 1 18 . 1 1 2 2 ASP C C 2 174.891 174.891 175.567 -0.676 19876 11513 1 18 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.249 -0.627 19876 11514 1 18 . 1 1 2 2 ASP CB C 2 41.319 41.319 42.060 -0.741 19876 11515 1 18 . 1 1 2 2 ASP H H 2 8.386 8.386 8.329 0.057 19876 11516 1 18 . 1 1 3 3 GLU N N 3 119.296 119.296 125.162 -5.866 19876 11517 1 18 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.370 -0.506 19876 11518 1 18 . 1 1 3 3 GLU C C 3 175.006 175.006 175.967 -0.961 19876 11519 1 18 . 1 1 3 3 GLU CA C 3 58.073 58.073 56.373 1.700 19876 11520 1 18 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.391 0.176 19876 11521 1 18 . 1 1 3 3 GLU H H 3 8.601 8.601 8.671 -0.070 19876 11522 1 18 . 1 1 4 4 TYR N N 4 118.038 118.038 124.939 -6.901 19876 11523 1 18 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.225 0.228 19876 11524 1 18 . 1 1 4 4 TYR C C 4 174.761 174.761 175.608 -0.847 19876 11525 1 18 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.183 -2.609 19876 11526 1 18 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.855 0.140 19876 11527 1 18 . 1 1 4 4 TYR H H 4 8.049 8.049 8.295 -0.246 19876 11528 1 18 . 1 1 5 5 SER N N 5 118.519 118.519 111.374 7.145 19876 11529 1 18 . 1 1 5 5 SER HA H 5 4.444 4.444 4.804 -0.360 19876 11530 1 18 . 1 1 5 5 SER C C 5 171.907 171.907 172.119 -0.212 19876 11531 1 18 . 1 1 5 5 SER CA C 5 57.173 57.173 55.256 1.917 19876 11532 1 18 . 1 1 5 5 SER CB C 5 62.104 62.104 64.715 -2.611 19876 11533 1 18 . 1 1 5 5 SER H H 5 7.759 7.759 7.968 -0.209 19876 11534 1 18 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.505 -0.061 19876 11535 1 18 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.774 0.823 19876 11536 1 18 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.441 -0.393 19876 11537 1 18 . 1 1 8 8 ARG HA H 8 3.788 3.788 3.944 -0.156 19876 11538 1 18 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.151 -0.652 19876 11539 1 18 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.876 -0.295 19876 11540 1 18 . 1 1 9 9 HIS N N 9 118.064 118.064 117.873 0.191 19876 11541 1 18 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.437 -0.155 19876 11542 1 18 . 1 1 9 9 HIS C C 9 176.264 176.264 177.590 -1.326 19876 11543 1 18 . 1 1 9 9 HIS CA C 9 59.043 59.043 60.092 -1.049 19876 11544 1 18 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.988 0.401 19876 11545 1 18 . 1 1 9 9 HIS H H 9 7.291 7.291 8.214 -0.923 19876 11546 1 18 . 1 1 10 10 ASP N N 10 122.089 122.089 121.110 0.979 19876 11547 1 18 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.831 -0.248 19876 11548 1 18 . 1 1 10 10 ASP C C 10 177.261 177.261 179.032 -1.771 19876 11549 1 18 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.831 -0.959 19876 11550 1 18 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.935 -0.366 19876 11551 1 18 . 1 1 10 10 ASP H H 10 8.221 8.221 8.507 -0.286 19876 11552 1 18 . 1 1 11 11 VAL N N 11 119.318 119.318 120.642 -1.324 19876 11553 1 18 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.833 -0.346 19876 11554 1 18 . 1 1 11 11 VAL C C 11 175.661 175.661 177.785 -2.124 19876 11555 1 18 . 1 1 11 11 VAL CA C 11 66.879 66.879 67.427 -0.548 19876 11556 1 18 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.685 -0.259 19876 11557 1 18 . 1 1 11 11 VAL H H 11 8.850 8.850 8.637 0.213 19876 11558 1 18 . 1 1 12 12 ALA N N 12 121.749 121.749 122.224 -0.475 19876 11559 1 18 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.463 0.306 19876 11560 1 18 . 1 1 12 12 ALA C C 12 179.484 179.484 179.248 0.236 19876 11561 1 18 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.412 -0.144 19876 11562 1 18 . 1 1 12 12 ALA CB C 12 17.742 17.742 17.849 -0.107 19876 11563 1 18 . 1 1 12 12 ALA H H 12 7.676 7.676 8.558 -0.882 19876 11564 1 18 . 1 1 13 13 GLN N N 13 119.544 119.544 118.479 1.065 19876 11565 1 18 . 1 1 13 13 GLN HA H 13 4.007 4.007 4.073 -0.066 19876 11566 1 18 . 1 1 13 13 GLN C C 13 176.075 176.075 178.306 -2.231 19876 11567 1 18 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.522 -1.290 19876 11568 1 18 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.486 -0.736 19876 11569 1 18 . 1 1 13 13 GLN H H 13 8.151 8.151 8.773 -0.622 19876 11570 1 18 . 1 1 14 14 LEU N N 14 121.127 121.127 120.671 0.456 19876 11571 1 18 . 1 1 14 14 LEU HA H 14 3.556 3.556 3.634 -0.078 19876 11572 1 18 . 1 1 14 14 LEU C C 14 176.935 176.935 178.502 -1.567 19876 11573 1 18 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.644 0.080 19876 11574 1 18 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.179 0.508 19876 11575 1 18 . 1 1 14 14 LEU H H 14 7.889 7.889 8.400 -0.511 19876 11576 1 18 . 1 1 15 15 LYS N N 15 120.458 120.458 120.036 0.422 19876 11577 1 18 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.801 -0.139 19876 11578 1 18 . 1 1 15 15 LYS C C 15 176.022 176.022 178.363 -2.341 19876 11579 1 18 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.227 1.811 19876 11580 1 18 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.078 1.133 19876 11581 1 18 . 1 1 15 15 LYS H H 15 8.174 8.174 8.114 0.060 19876 11582 1 18 . 1 1 16 16 PHE N N 16 119.257 119.257 118.332 0.925 19876 11583 1 18 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.100 0.087 19876 11584 1 18 . 1 1 16 16 PHE C C 16 177.917 177.917 178.163 -0.246 19876 11585 1 18 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.196 -0.866 19876 11586 1 18 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.045 0.449 19876 11587 1 18 . 1 1 16 16 PHE H H 16 7.855 7.855 7.991 -0.136 19876 11588 1 18 . 1 1 17 17 LEU N N 17 121.489 121.489 119.806 1.683 19876 11589 1 18 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.814 -0.216 19876 11590 1 18 . 1 1 17 17 LEU C C 17 177.988 177.988 178.856 -0.868 19876 11591 1 18 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.500 -0.538 19876 11592 1 18 . 1 1 17 17 LEU CB C 17 41.698 41.698 41.216 0.482 19876 11593 1 18 . 1 1 17 17 LEU H H 17 8.560 8.560 8.752 -0.192 19876 11594 1 18 . 1 1 18 18 CYS N N 18 116.216 116.216 118.285 -2.069 19876 11595 1 18 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.112 0.123 19876 11596 1 18 . 1 1 18 18 CYS C C 18 176.987 176.987 177.553 -0.566 19876 11597 1 18 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.627 1.947 19876 11598 1 18 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.691 1.613 19876 11599 1 18 . 1 1 18 18 CYS H H 18 8.194 8.194 8.383 -0.189 19876 11600 1 18 . 1 1 19 19 GLU N N 19 123.947 123.947 120.908 3.039 19876 11601 1 18 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.312 -0.427 19876 11602 1 18 . 1 1 19 19 GLU C C 19 176.436 176.436 179.396 -2.960 19876 11603 1 18 . 1 1 19 19 GLU CA C 19 59.886 59.886 60.147 -0.260 19876 11604 1 18 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.494 -0.213 19876 11605 1 18 . 1 1 19 19 GLU H H 19 8.842 8.842 8.873 -0.031 19876 11606 1 18 . 1 1 20 20 SER N N 20 116.500 116.500 116.203 0.297 19876 11607 1 18 . 1 1 20 20 SER HA H 20 4.056 4.056 4.228 -0.172 19876 11608 1 18 . 1 1 20 20 SER C C 20 174.835 174.835 176.691 -1.856 19876 11609 1 18 . 1 1 20 20 SER CA C 20 61.729 61.729 62.007 -0.278 19876 11610 1 18 . 1 1 20 20 SER CB C 20 62.360 62.360 62.761 -0.401 19876 11611 1 18 . 1 1 20 20 SER H H 20 8.198 8.198 8.703 -0.505 19876 11612 1 18 . 1 1 21 21 LEU N N 21 121.186 121.186 123.659 -2.473 19876 11613 1 18 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.040 -0.129 19876 11614 1 18 . 1 1 21 21 LEU C C 21 175.905 175.905 178.040 -2.135 19876 11615 1 18 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.637 -0.684 19876 11616 1 18 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.972 -0.363 19876 11617 1 18 . 1 1 21 21 LEU H H 21 7.970 7.970 8.577 -0.607 19876 11618 1 18 . 1 1 22 22 TYR N N 22 119.690 119.690 120.319 -0.629 19876 11619 1 18 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.393 -0.075 19876 11620 1 18 . 1 1 22 22 TYR C C 22 175.453 175.453 177.604 -2.151 19876 11621 1 18 . 1 1 22 22 TYR CA C 22 62.240 62.240 61.231 1.009 19876 11622 1 18 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.041 -0.898 19876 11623 1 18 . 1 1 22 22 TYR H H 22 7.473 7.473 8.862 -1.389 19876 11624 1 18 . 1 1 23 23 ASP N N 23 118.291 118.291 119.065 -0.774 19876 11625 1 18 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.119 -0.072 19876 11626 1 18 . 1 1 23 23 ASP C C 23 178.796 178.796 178.623 0.173 19876 11627 1 18 . 1 1 23 23 ASP CA C 23 57.284 57.284 58.015 -0.731 19876 11628 1 18 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.814 -0.931 19876 11629 1 18 . 1 1 23 23 ASP H H 23 8.249 8.249 8.470 -0.221 19876 11630 1 18 . 1 1 24 24 GLU N N 24 120.605 120.605 119.470 1.135 19876 11631 1 18 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.971 -0.040 19876 11632 1 18 . 1 1 24 24 GLU C C 24 178.457 178.457 179.220 -0.763 19876 11633 1 18 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.295 -0.734 19876 11634 1 18 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.298 -0.376 19876 11635 1 18 . 1 1 24 24 GLU H H 24 8.347 8.347 8.553 -0.206 19876 11636 1 18 . 1 1 25 25 GLY N N 25 111.777 111.777 108.984 2.793 19876 11637 1 18 . 1 1 25 25 GLY C C 25 173.906 173.906 176.760 -2.854 19876 11638 1 18 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.559 -0.091 19876 11639 1 18 . 1 1 25 25 GLY H H 25 8.701 8.701 9.072 -0.371 19876 11640 1 18 . 1 1 26 26 ILE N N 26 122.263 122.263 122.925 -0.662 19876 11641 1 18 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.760 -0.003 19876 11642 1 18 . 1 1 26 26 ILE C C 26 178.116 178.116 178.265 -0.149 19876 11643 1 18 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.141 -0.910 19876 11644 1 18 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.610 -0.922 19876 11645 1 18 . 1 1 26 26 ILE H H 26 8.717 8.717 8.476 0.240 19876 11646 1 18 . 1 1 27 27 ALA N N 27 122.092 122.092 121.533 0.559 19876 11647 1 18 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.054 -0.094 19876 11648 1 18 . 1 1 27 27 ALA C C 27 178.428 178.428 178.522 -0.094 19876 11649 1 18 . 1 1 27 27 ALA CA C 27 54.493 54.493 54.937 -0.444 19876 11650 1 18 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.589 -0.539 19876 11651 1 18 . 1 1 27 27 ALA H H 27 7.672 7.672 8.169 -0.497 19876 11652 1 18 . 1 1 28 28 THR N N 28 115.031 115.031 112.714 2.317 19876 11653 1 18 . 1 1 28 28 THR HA H 28 3.734 3.734 4.337 -0.603 19876 11654 1 18 . 1 1 28 28 THR C C 28 174.403 174.403 176.304 -1.901 19876 11655 1 18 . 1 1 28 28 THR CA C 28 65.750 65.750 64.583 1.167 19876 11656 1 18 . 1 1 28 28 THR CB C 28 68.530 68.530 69.826 -1.296 19876 11657 1 18 . 1 1 28 28 THR H H 28 7.554 7.554 8.199 -0.645 19876 11658 1 18 . 1 1 29 29 LEU N N 29 121.356 121.356 118.577 2.779 19876 11659 1 18 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.357 -0.547 19876 11660 1 18 . 1 1 29 29 LEU C C 29 176.694 176.694 178.116 -1.422 19876 11661 1 18 . 1 1 29 29 LEU CA C 29 56.494 56.494 55.955 0.539 19876 11662 1 18 . 1 1 29 29 LEU CB C 29 42.179 42.179 42.248 -0.069 19876 11663 1 18 . 1 1 29 29 LEU H H 29 7.580 7.580 8.261 -0.681 19876 11664 1 18 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.683 0.220 19876 11665 1 18 . 1 1 31 31 ASP N N 31 119.983 119.983 123.500 -3.517 19876 11666 1 18 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.770 -0.207 19876 11667 1 18 . 1 1 31 31 ASP C C 31 175.609 175.609 174.875 0.734 19876 11668 1 18 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.466 0.417 19876 11669 1 18 . 1 1 31 31 ASP CB C 31 41.558 41.558 43.459 -1.901 19876 11670 1 18 . 1 1 31 31 ASP H H 31 8.017 8.017 7.908 0.109 19876 11671 1 18 . 1 1 32 32 SER N N 32 118.027 118.027 117.438 0.589 19876 11672 1 18 . 1 1 32 32 SER HA H 32 4.191 4.191 4.645 -0.454 19876 11673 1 18 . 1 1 32 32 SER C C 32 178.747 178.747 173.677 5.070 19876 11674 1 18 . 1 1 32 32 SER CA C 32 59.247 59.247 58.086 1.161 19876 11675 1 18 . 1 1 32 32 SER CB C 32 63.224 63.224 62.778 0.446 19876 11676 1 18 . 1 1 32 32 SER H H 32 8.284 8.284 8.154 0.130 19876 11677 1 18 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.346 -0.001 19876 11678 1 18 . 1 1 33 33 HIS CA C 33 57.029 57.029 58.492 -1.463 19876 11679 1 18 . 1 1 33 33 HIS CB C 33 29.559 29.559 30.015 -0.456 19876 11680 1 18 . 1 1 34 34 HIS N N 34 117.885 117.885 115.378 2.507 19876 11681 1 18 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.536 -0.052 19876 11682 1 18 . 1 1 34 34 HIS CA C 34 55.947 55.947 54.744 1.203 19876 11683 1 18 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.669 0.098 19876 11684 1 18 . 1 1 34 34 HIS H H 34 7.896 7.896 7.919 -0.023 19876 11685 1 18 . 1 1 35 35 GLY N N 35 108.681 108.681 108.106 0.575 19876 11686 1 18 . 1 1 35 35 GLY C C 35 172.466 172.466 174.624 -2.158 19876 11687 1 18 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.488 -0.189 19876 11688 1 18 . 1 1 35 35 GLY H H 35 7.864 7.864 8.225 -0.361 19876 11689 1 18 . 1 1 36 36 TRP N N 36 120.973 120.973 119.555 1.418 19876 11690 1 18 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.656 -0.162 19876 11691 1 18 . 1 1 36 36 TRP C C 36 174.594 174.594 176.824 -2.230 19876 11692 1 18 . 1 1 36 36 TRP CA C 36 57.866 57.866 56.346 1.520 19876 11693 1 18 . 1 1 36 36 TRP CB C 36 29.587 29.587 29.829 -0.242 19876 11694 1 18 . 1 1 36 36 TRP H H 36 7.809 7.809 7.629 0.180 19876 11695 1 18 . 1 1 37 37 VAL N N 37 122.778 122.778 117.228 5.550 19876 11696 1 18 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.218 -0.431 19876 11697 1 18 . 1 1 37 37 VAL C C 37 173.396 173.396 175.339 -1.943 19876 11698 1 18 . 1 1 37 37 VAL CA C 37 61.284 61.284 61.428 -0.144 19876 11699 1 18 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.020 0.514 19876 11700 1 18 . 1 1 37 37 VAL H H 37 7.712 7.712 8.135 -0.423 19876 11701 1 18 . 1 1 38 38 ASN N N 38 121.869 121.869 121.270 0.599 19876 11702 1 18 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.757 -0.522 19876 11703 1 18 . 1 1 38 38 ASN C C 38 172.186 172.186 173.911 -1.725 19876 11704 1 18 . 1 1 38 38 ASN CA C 38 54.070 54.070 53.307 0.763 19876 11705 1 18 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.168 1.461 19876 11706 1 18 . 1 1 38 38 ASN H H 38 7.768 7.768 8.791 -1.023 19876 11707 1 18 . 1 1 39 39 ASP N N 39 123.332 123.332 125.588 -2.256 19876 11708 1 18 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.465 0.394 19876 11709 1 18 . 1 1 39 39 ASP C C 39 173.301 173.301 175.965 -2.664 19876 11710 1 18 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.932 -2.072 19876 11711 1 18 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.059 -0.351 19876 11712 1 18 . 1 1 39 39 ASP H H 39 8.300 8.300 8.257 0.043 19876 11713 1 18 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.350 -0.194 19876 11714 1 18 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.371 -0.437 19876 11715 1 18 . 1 1 40 40 PRO CB C 40 32.892 32.892 31.840 1.052 19876 11716 1 18 . 1 1 41 41 THR N N 41 107.824 107.824 112.562 -4.738 19876 11717 1 18 . 1 1 41 41 THR HA H 41 4.191 4.191 4.093 0.098 19876 11718 1 18 . 1 1 41 41 THR C C 41 173.405 173.405 174.952 -1.547 19876 11719 1 18 . 1 1 41 41 THR CA C 41 61.283 61.283 63.380 -2.097 19876 11720 1 18 . 1 1 41 41 THR CB C 41 69.351 69.351 68.886 0.465 19876 11721 1 18 . 1 1 41 41 THR H H 41 7.923 7.923 8.037 -0.114 19876 11722 1 18 . 1 1 42 42 SER N N 42 118.745 118.745 117.935 0.810 19876 11723 1 18 . 1 1 42 42 SER HA H 42 4.187 4.187 4.219 -0.032 19876 11724 1 18 . 1 1 42 42 SER C C 42 172.750 172.750 175.714 -2.964 19876 11725 1 18 . 1 1 42 42 SER CA C 42 58.320 58.320 58.661 -0.341 19876 11726 1 18 . 1 1 42 42 SER CB C 42 64.569 64.569 63.721 0.848 19876 11727 1 18 . 1 1 42 42 SER H H 42 7.705 7.705 7.522 0.183 19876 11728 1 18 . 1 1 43 43 ALA N N 43 124.591 124.591 130.341 -5.750 19876 11729 1 18 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.901 0.059 19876 11730 1 18 . 1 1 43 43 ALA C C 43 178.795 178.795 179.430 -0.635 19876 11731 1 18 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.242 -0.106 19876 11732 1 18 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.497 -0.353 19876 11733 1 18 . 1 1 43 43 ALA H H 43 8.540 8.540 8.825 -0.285 19876 11734 1 18 . 1 1 44 44 VAL N N 44 115.734 115.734 119.069 -3.335 19876 11735 1 18 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.619 0.100 19876 11736 1 18 . 1 1 44 44 VAL C C 44 176.057 176.057 177.214 -1.157 19876 11737 1 18 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.887 -1.185 19876 11738 1 18 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.515 0.220 19876 11739 1 18 . 1 1 44 44 VAL H H 44 7.836 7.836 8.176 -0.340 19876 11740 1 18 . 1 1 45 45 ASN N N 45 123.038 123.038 118.131 4.907 19876 11741 1 18 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.942 0.102 19876 11742 1 18 . 1 1 45 45 ASN C C 45 176.022 176.022 177.620 -1.598 19876 11743 1 18 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.059 0.776 19876 11744 1 18 . 1 1 45 45 ASN CB C 45 37.721 37.721 37.970 -0.249 19876 11745 1 18 . 1 1 45 45 ASN H H 45 7.709 7.709 7.405 0.304 19876 11746 1 18 . 1 1 46 46 LEU N N 46 122.005 122.005 120.268 1.737 19876 11747 1 18 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.966 -0.040 19876 11748 1 18 . 1 1 46 46 LEU C C 46 178.192 178.192 179.198 -1.006 19876 11749 1 18 . 1 1 46 46 LEU CA C 46 58.043 58.043 57.623 0.420 19876 11750 1 18 . 1 1 46 46 LEU CB C 46 40.830 40.830 40.766 0.064 19876 11751 1 18 . 1 1 46 46 LEU H H 46 8.239 8.239 7.992 0.247 19876 11752 1 18 . 1 1 47 47 GLN N N 47 119.394 119.394 119.212 0.182 19876 11753 1 18 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.892 0.079 19876 11754 1 18 . 1 1 47 47 GLN C C 47 177.762 177.762 178.703 -0.941 19876 11755 1 18 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.551 -0.860 19876 11756 1 18 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.719 -0.592 19876 11757 1 18 . 1 1 47 47 GLN H H 47 7.825 7.825 8.390 -0.565 19876 11758 1 18 . 1 1 48 48 LEU N N 48 122.808 122.808 119.543 3.265 19876 11759 1 18 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.748 -0.005 19876 11760 1 18 . 1 1 48 48 LEU C C 48 177.366 177.366 178.687 -1.321 19876 11761 1 18 . 1 1 48 48 LEU CA C 48 58.274 58.274 59.075 -0.801 19876 11762 1 18 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.107 0.352 19876 11763 1 18 . 1 1 48 48 LEU H H 48 7.625 7.625 8.716 -1.091 19876 11764 1 18 . 1 1 49 49 ASN N N 49 117.784 117.784 116.625 1.159 19876 11765 1 18 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.352 -0.066 19876 11766 1 18 . 1 1 49 49 ASN C C 49 176.893 176.893 177.149 -0.256 19876 11767 1 18 . 1 1 49 49 ASN CA C 49 56.136 56.136 56.165 -0.029 19876 11768 1 18 . 1 1 49 49 ASN CB C 49 37.610 37.610 37.687 -0.077 19876 11769 1 18 . 1 1 49 49 ASN H H 49 7.797 7.797 8.329 -0.532 19876 11770 1 18 . 1 1 50 50 ASP N N 50 120.887 120.887 121.279 -0.392 19876 11771 1 18 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.472 -0.168 19876 11772 1 18 . 1 1 50 50 ASP C C 50 177.452 177.452 178.476 -1.024 19876 11773 1 18 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.354 0.033 19876 11774 1 18 . 1 1 50 50 ASP CB C 50 40.590 40.590 40.917 -0.327 19876 11775 1 18 . 1 1 50 50 ASP H H 50 7.868 7.868 8.174 -0.306 19876 11776 1 18 . 1 1 51 51 LEU N N 51 123.117 123.117 119.268 3.849 19876 11777 1 18 . 1 1 51 51 LEU HA H 51 4.158 4.158 4.170 -0.012 19876 11778 1 18 . 1 1 51 51 LEU C C 51 177.345 177.345 178.812 -1.467 19876 11779 1 18 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.434 -0.470 19876 11780 1 18 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.111 -0.110 19876 11781 1 18 . 1 1 51 51 LEU H H 51 7.627 7.627 8.554 -0.927 19876 11782 1 18 . 1 1 52 52 ILE N N 52 120.007 120.007 120.613 -0.606 19876 11783 1 18 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.491 -0.124 19876 11784 1 18 . 1 1 52 52 ILE C C 52 176.246 176.246 177.928 -1.682 19876 11785 1 18 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.411 0.609 19876 11786 1 18 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.376 0.806 19876 11787 1 18 . 1 1 52 52 ILE H H 52 8.309 8.309 8.817 -0.508 19876 11788 1 18 . 1 1 53 53 GLU N N 53 117.619 117.619 119.930 -2.311 19876 11789 1 18 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.919 0.012 19876 11790 1 18 . 1 1 53 53 GLU C C 53 178.193 178.193 178.823 -0.630 19876 11791 1 18 . 1 1 53 53 GLU CA C 53 59.453 59.453 60.011 -0.558 19876 11792 1 18 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.492 -0.144 19876 11793 1 18 . 1 1 53 53 GLU H H 53 7.965 7.965 7.806 0.159 19876 11794 1 18 . 1 1 54 54 HIS N N 54 120.335 120.335 119.958 0.377 19876 11795 1 18 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.349 -0.037 19876 11796 1 18 . 1 1 54 54 HIS C C 54 177.331 177.331 178.040 -0.709 19876 11797 1 18 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.269 0.293 19876 11798 1 18 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.629 0.568 19876 11799 1 18 . 1 1 54 54 HIS H H 54 8.117 8.117 8.384 -0.267 19876 11800 1 18 . 1 1 55 55 ILE N N 55 120.694 120.694 119.310 1.384 19876 11801 1 18 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.601 -0.162 19876 11802 1 18 . 1 1 55 55 ILE C C 55 176.281 176.281 177.915 -1.634 19876 11803 1 18 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.326 0.625 19876 11804 1 18 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.408 -0.379 19876 11805 1 18 . 1 1 55 55 ILE H H 55 8.655 8.655 8.766 -0.111 19876 11806 1 18 . 1 1 56 56 ALA N N 56 123.896 123.896 123.072 0.824 19876 11807 1 18 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.921 -0.160 19876 11808 1 18 . 1 1 56 56 ALA C C 56 179.581 179.581 179.837 -0.256 19876 11809 1 18 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.739 -0.126 19876 11810 1 18 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.020 -0.371 19876 11811 1 18 . 1 1 56 56 ALA H H 56 9.063 9.063 8.776 0.287 19876 11812 1 18 . 1 1 57 57 SER N N 57 114.014 114.014 115.476 -1.462 19876 11813 1 18 . 1 1 57 57 SER HA H 57 4.165 4.165 4.173 -0.008 19876 11814 1 18 . 1 1 57 57 SER C C 57 175.540 175.540 176.903 -1.363 19876 11815 1 18 . 1 1 57 57 SER CA C 57 61.491 61.491 61.961 -0.469 19876 11816 1 18 . 1 1 57 57 SER CB C 57 62.640 62.640 63.122 -0.482 19876 11817 1 18 . 1 1 57 57 SER H H 57 7.918 7.918 8.528 -0.610 19876 11818 1 18 . 1 1 58 58 PHE N N 58 125.013 125.013 124.500 0.513 19876 11819 1 18 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.201 -0.183 19876 11820 1 18 . 1 1 58 58 PHE C C 58 177.343 177.343 177.647 -0.304 19876 11821 1 18 . 1 1 58 58 PHE CA C 58 61.676 61.676 62.255 -0.579 19876 11822 1 18 . 1 1 58 58 PHE CB C 58 39.184 39.184 39.097 0.087 19876 11823 1 18 . 1 1 58 58 PHE H H 58 8.024 8.024 8.670 -0.646 19876 11824 1 18 . 1 1 59 59 VAL N N 59 120.373 120.373 120.299 0.074 19876 11825 1 18 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.521 0.136 19876 11826 1 18 . 1 1 59 59 VAL C C 59 175.403 175.403 178.097 -2.694 19876 11827 1 18 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.283 -1.181 19876 11828 1 18 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.646 -0.208 19876 11829 1 18 . 1 1 59 59 VAL H H 59 9.263 9.263 9.127 0.136 19876 11830 1 18 . 1 1 60 60 MET N N 60 120.360 120.360 119.265 1.095 19876 11831 1 18 . 1 1 60 60 MET HA H 60 4.002 4.002 3.957 0.045 19876 11832 1 18 . 1 1 60 60 MET C C 60 177.417 177.417 178.666 -1.249 19876 11833 1 18 . 1 1 60 60 MET CA C 60 59.396 59.396 59.750 -0.354 19876 11834 1 18 . 1 1 60 60 MET CB C 60 31.986 31.986 32.431 -0.445 19876 11835 1 18 . 1 1 60 60 MET H H 60 7.826 7.826 8.385 -0.559 19876 11836 1 18 . 1 1 61 61 SER N N 61 113.289 113.289 114.813 -1.524 19876 11837 1 18 . 1 1 61 61 SER HA H 61 4.035 4.035 4.072 -0.037 19876 11838 1 18 . 1 1 61 61 SER CA C 61 61.619 61.619 61.653 -0.034 19876 11839 1 18 . 1 1 61 61 SER CB C 61 62.600 62.600 63.068 -0.468 19876 11840 1 18 . 1 1 61 61 SER H H 61 7.230 7.230 8.221 -0.991 19876 11841 1 18 . 1 1 62 62 PHE N N 62 126.395 126.395 123.379 3.016 19876 11842 1 18 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.978 -0.337 19876 11843 1 18 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.862 0.082 19876 11844 1 18 . 1 1 62 62 PHE CB C 62 40.462 40.462 39.012 1.450 19876 11845 1 18 . 1 1 62 62 PHE H H 62 8.681 8.681 8.790 -0.109 19876 11846 1 18 . 1 1 63 63 LYS N N 63 116.676 116.676 118.156 -1.480 19876 11847 1 18 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.369 -0.337 19876 11848 1 18 . 1 1 63 63 LYS C C 63 177.262 177.262 178.759 -1.497 19876 11849 1 18 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.230 -0.542 19876 11850 1 18 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.253 0.596 19876 11851 1 18 . 1 1 63 63 LYS H H 63 8.585 8.585 8.680 -0.095 19876 11852 1 18 . 1 1 64 64 ILE N N 64 117.020 117.020 117.959 -0.939 19876 11853 1 18 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.845 -0.322 19876 11854 1 18 . 1 1 64 64 ILE C C 64 176.151 176.151 177.710 -1.559 19876 11855 1 18 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.641 -0.648 19876 11856 1 18 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.673 0.504 19876 11857 1 18 . 1 1 64 64 ILE H H 64 6.751 6.751 7.188 -0.437 19876 11858 1 18 . 1 1 65 65 LYS N N 65 120.165 120.165 118.087 2.078 19876 11859 1 18 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.067 -0.628 19876 11860 1 18 . 1 1 65 65 LYS C C 65 175.133 175.133 176.357 -1.224 19876 11861 1 18 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.922 0.034 19876 11862 1 18 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.631 -0.674 19876 11863 1 18 . 1 1 65 65 LYS H H 65 7.058 7.058 7.843 -0.785 19876 11864 1 18 . 1 1 66 66 TYR N N 66 115.421 115.421 118.002 -2.581 19876 11865 1 18 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.676 0.212 19876 11866 1 18 . 1 1 66 66 TYR C C 66 173.061 173.061 172.757 0.304 19876 11867 1 18 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.309 -0.780 19876 11868 1 18 . 1 1 66 66 TYR CB C 66 36.669 36.669 41.361 -4.692 19876 11869 1 18 . 1 1 66 66 TYR H H 66 7.784 7.784 7.976 -0.192 19876 11870 1 18 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.607 -0.250 19876 11871 1 18 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.080 0.430 19876 11872 1 18 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.377 -0.472 19876 11873 1 18 . 1 1 68 68 ASP N N 68 117.110 117.110 119.041 -1.931 19876 11874 1 18 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.540 0.187 19876 11875 1 18 . 1 1 68 68 ASP C C 68 175.024 175.024 177.142 -2.118 19876 11876 1 18 . 1 1 68 68 ASP CA C 68 54.743 54.743 54.894 -0.151 19876 11877 1 18 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.042 0.452 19876 11878 1 18 . 1 1 68 68 ASP H H 68 8.548 8.548 8.177 0.371 19876 11879 1 18 . 1 1 69 69 ASP N N 69 122.994 122.994 117.947 5.047 19876 11880 1 18 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.579 0.412 19876 11881 1 18 . 1 1 69 69 ASP C C 69 174.782 174.782 178.196 -3.414 19876 11882 1 18 . 1 1 69 69 ASP CA C 69 54.315 54.315 55.342 -1.027 19876 11883 1 18 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.364 -0.201 19876 11884 1 18 . 1 1 69 69 ASP H H 69 7.545 7.545 8.068 -0.523 19876 11885 1 18 . 1 1 70 70 GLY N N 70 107.712 107.712 109.029 -1.317 19876 11886 1 18 . 1 1 70 70 GLY C C 70 173.987 173.987 175.830 -1.843 19876 11887 1 18 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.516 -0.184 19876 11888 1 18 . 1 1 70 70 GLY H H 70 7.879 7.879 7.825 0.054 19876 11889 1 18 . 1 1 71 71 ASP N N 71 119.785 119.785 120.305 -0.520 19876 11890 1 18 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.421 -0.226 19876 11891 1 18 . 1 1 71 71 ASP C C 71 177.114 177.114 178.104 -0.990 19876 11892 1 18 . 1 1 71 71 ASP CA C 71 57.052 57.052 56.790 0.262 19876 11893 1 18 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.777 -1.432 19876 11894 1 18 . 1 1 71 71 ASP H H 71 8.447 8.447 7.539 0.908 19876 11895 1 18 . 1 1 72 72 LEU N N 72 119.776 119.776 121.023 -1.247 19876 11896 1 18 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.999 -0.132 19876 11897 1 18 . 1 1 72 72 LEU C C 72 176.531 176.531 178.370 -1.839 19876 11898 1 18 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.712 -0.260 19876 11899 1 18 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.834 -0.098 19876 11900 1 18 . 1 1 72 72 LEU H H 72 7.562 7.562 7.218 0.344 19876 11901 1 18 . 1 1 73 73 SER N N 73 113.964 113.964 114.718 -0.754 19876 11902 1 18 . 1 1 73 73 SER HA H 73 3.605 3.605 4.097 -0.492 19876 11903 1 18 . 1 1 73 73 SER C C 73 174.610 174.610 176.667 -2.057 19876 11904 1 18 . 1 1 73 73 SER CA C 73 62.161 62.161 61.930 0.231 19876 11905 1 18 . 1 1 73 73 SER CB C 73 62.158 62.158 62.454 -0.296 19876 11906 1 18 . 1 1 73 73 SER H H 73 8.050 8.050 8.654 -0.604 19876 11907 1 18 . 1 1 74 74 GLU N N 74 119.742 119.742 121.504 -1.762 19876 11908 1 18 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.040 0.031 19876 11909 1 18 . 1 1 74 74 GLU C C 74 178.089 178.089 179.075 -0.986 19876 11910 1 18 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.583 -0.481 19876 11911 1 18 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.505 -0.292 19876 11912 1 18 . 1 1 74 74 GLU H H 74 8.623 8.623 7.755 0.868 19876 11913 1 18 . 1 1 75 75 LEU N N 75 122.325 122.325 119.344 2.981 19876 11914 1 18 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.293 -0.050 19876 11915 1 18 . 1 1 75 75 LEU C C 75 177.962 177.962 178.784 -0.822 19876 11916 1 18 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.235 0.145 19876 11917 1 18 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.554 -0.151 19876 11918 1 18 . 1 1 75 75 LEU H H 75 7.255 7.255 7.591 -0.336 19876 11919 1 18 . 1 1 76 76 VAL N N 76 119.514 119.514 121.582 -2.068 19876 11920 1 18 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.700 -0.113 19876 11921 1 18 . 1 1 76 76 VAL C C 76 176.909 176.909 178.374 -1.465 19876 11922 1 18 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.608 -0.348 19876 11923 1 18 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.349 -0.406 19876 11924 1 18 . 1 1 76 76 VAL H H 76 8.235 8.235 8.813 -0.578 19876 11925 1 18 . 1 1 77 77 GLU N N 77 118.692 118.692 118.861 -0.169 19876 11926 1 18 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.912 -0.173 19876 11927 1 18 . 1 1 77 77 GLU C C 77 177.692 177.692 178.902 -1.210 19876 11928 1 18 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.066 0.941 19876 11929 1 18 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.153 0.004 19876 11930 1 18 . 1 1 77 77 GLU H H 77 8.204 8.204 8.957 -0.753 19876 11931 1 18 . 1 1 78 78 GLU N N 78 121.945 121.945 120.565 1.380 19876 11932 1 18 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.030 -0.002 19876 11933 1 18 . 1 1 78 78 GLU C C 78 176.559 176.559 178.870 -2.311 19876 11934 1 18 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.820 -0.246 19876 11935 1 18 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.758 0.127 19876 11936 1 18 . 1 1 78 78 GLU H H 78 8.058 8.058 7.686 0.372 19876 11937 1 18 . 1 1 79 79 TYR N N 79 119.945 119.945 121.135 -1.190 19876 11938 1 18 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.264 0.136 19876 11939 1 18 . 1 1 79 79 TYR C C 79 178.365 178.365 178.207 0.158 19876 11940 1 18 . 1 1 79 79 TYR CA C 79 60.101 60.101 59.937 0.164 19876 11941 1 18 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.203 0.435 19876 11942 1 18 . 1 1 79 79 TYR H H 79 8.347 8.347 8.906 -0.559 19876 11943 1 18 . 1 1 80 80 LEU N N 80 123.586 123.586 120.119 3.467 19876 11944 1 18 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.748 -0.099 19876 11945 1 18 . 1 1 80 80 LEU C C 80 177.594 177.594 179.406 -1.812 19876 11946 1 18 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.609 0.070 19876 11947 1 18 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.375 -0.733 19876 11948 1 18 . 1 1 80 80 LEU H H 80 9.113 9.113 8.855 0.258 19876 11949 1 18 . 1 1 81 81 ASP N N 81 121.522 121.522 119.353 2.169 19876 11950 1 18 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.329 0.077 19876 11951 1 18 . 1 1 81 81 ASP C C 81 178.021 178.021 178.560 -0.539 19876 11952 1 18 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.366 -0.677 19876 11953 1 18 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.843 -0.201 19876 11954 1 18 . 1 1 81 81 ASP H H 81 8.228 8.228 8.753 -0.525 19876 11955 1 18 . 1 1 82 82 ASP N N 82 120.931 120.931 120.561 0.370 19876 11956 1 18 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.556 -0.134 19876 11957 1 18 . 1 1 82 82 ASP C C 82 178.342 178.342 178.776 -0.434 19876 11958 1 18 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.864 0.043 19876 11959 1 18 . 1 1 82 82 ASP CB C 82 40.833 40.833 41.196 -0.363 19876 11960 1 18 . 1 1 82 82 ASP H H 82 9.139 9.139 8.736 0.403 19876 11961 1 18 . 1 1 83 83 THR N N 83 118.686 118.686 117.986 0.700 19876 11962 1 18 . 1 1 83 83 THR HA H 83 3.415 3.415 3.425 -0.010 19876 11963 1 18 . 1 1 83 83 THR C C 83 173.663 173.663 176.357 -2.694 19876 11964 1 18 . 1 1 83 83 THR CA C 83 67.258 67.258 67.315 -0.057 19876 11965 1 18 . 1 1 83 83 THR CB C 83 68.017 68.017 69.028 -1.012 19876 11966 1 18 . 1 1 83 83 THR H H 83 8.394 8.394 8.803 -0.409 19876 11967 1 18 . 1 1 84 84 TYR N N 84 122.004 122.004 122.026 -0.022 19876 11968 1 18 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.190 -0.447 19876 11969 1 18 . 1 1 84 84 TYR C C 84 177.983 177.983 177.736 0.247 19876 11970 1 18 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.662 0.445 19876 11971 1 18 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.441 0.009 19876 11972 1 18 . 1 1 84 84 TYR H H 84 8.561 8.561 8.762 -0.201 19876 11973 1 18 . 1 1 85 85 THR N N 85 116.249 116.249 115.369 0.880 19876 11974 1 18 . 1 1 85 85 THR HA H 85 3.409 3.409 3.872 -0.463 19876 11975 1 18 . 1 1 85 85 THR C C 85 174.628 174.628 176.363 -1.735 19876 11976 1 18 . 1 1 85 85 THR CA C 85 66.483 66.483 66.152 0.331 19876 11977 1 18 . 1 1 85 85 THR CB C 85 68.604 68.604 69.071 -0.467 19876 11978 1 18 . 1 1 85 85 THR H H 85 8.749 8.749 8.505 0.244 19876 11979 1 18 . 1 1 86 86 LEU N N 86 121.835 121.835 122.850 -1.015 19876 11980 1 18 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.905 -0.350 19876 11981 1 18 . 1 1 86 86 LEU C C 86 176.057 176.057 179.091 -3.034 19876 11982 1 18 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.366 0.640 19876 11983 1 18 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.620 1.153 19876 11984 1 18 . 1 1 86 86 LEU H H 86 7.257 7.257 8.295 -1.038 19876 11985 1 18 . 1 1 87 87 PHE N N 87 111.264 111.264 115.359 -4.095 19876 11986 1 18 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.175 -0.198 19876 11987 1 18 . 1 1 87 87 PHE C C 87 174.687 174.687 177.373 -2.686 19876 11988 1 18 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.359 0.381 19876 11989 1 18 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.985 0.446 19876 11990 1 18 . 1 1 87 87 PHE H H 87 7.168 7.168 7.990 -0.822 19876 11991 1 18 . 1 1 88 88 SER N N 88 112.848 112.848 112.471 0.377 19876 11992 1 18 . 1 1 88 88 SER HA H 88 4.207 4.207 4.222 -0.015 19876 11993 1 18 . 1 1 88 88 SER C C 88 172.760 172.760 173.923 -1.163 19876 11994 1 18 . 1 1 88 88 SER CA C 88 58.725 58.725 60.263 -1.538 19876 11995 1 18 . 1 1 88 88 SER CB C 88 63.342 63.342 63.512 -0.170 19876 11996 1 18 . 1 1 88 88 SER H H 88 7.290 7.290 7.541 -0.251 19876 11997 1 18 . 1 1 89 89 SER N N 89 116.554 116.554 117.231 -0.677 19876 11998 1 18 . 1 1 89 89 SER HA H 89 4.347 4.347 4.749 -0.402 19876 11999 1 18 . 1 1 89 89 SER C C 89 172.251 172.251 173.902 -1.651 19876 12000 1 18 . 1 1 89 89 SER CA C 89 57.597 57.597 57.344 0.253 19876 12001 1 18 . 1 1 89 89 SER CB C 89 64.426 64.426 64.659 -0.233 19876 12002 1 18 . 1 1 89 89 SER H H 89 7.064 7.064 7.791 -0.727 19876 12003 1 18 . 1 1 90 90 TYR N N 90 122.348 122.348 125.137 -2.789 19876 12004 1 18 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.337 0.006 19876 12005 1 18 . 1 1 90 90 TYR C C 90 175.043 175.043 177.476 -2.433 19876 12006 1 18 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.475 -2.503 19876 12007 1 18 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.469 -0.843 19876 12008 1 18 . 1 1 90 90 TYR H H 90 8.446 8.446 8.923 -0.477 19876 12009 1 18 . 1 1 91 91 GLY N N 91 111.349 111.349 104.837 6.512 19876 12010 1 18 . 1 1 91 91 GLY C C 91 170.874 170.874 173.645 -2.771 19876 12011 1 18 . 1 1 91 91 GLY CA C 91 44.734 44.734 44.053 0.681 19876 12012 1 18 . 1 1 91 91 GLY H H 91 7.820 7.820 8.119 -0.299 19876 12013 1 18 . 1 1 92 92 ILE N N 92 121.703 121.703 125.112 -3.409 19876 12014 1 18 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.721 0.157 19876 12015 1 18 . 1 1 92 92 ILE C C 92 173.956 173.956 175.858 -1.902 19876 12016 1 18 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.115 0.012 19876 12017 1 18 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.630 1.812 19876 12018 1 18 . 1 1 92 92 ILE H H 92 8.032 8.032 8.079 -0.047 19876 12019 1 18 . 1 1 93 93 ASN N N 93 125.791 125.791 128.206 -2.415 19876 12020 1 18 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.718 0.196 19876 12021 1 18 . 1 1 93 93 ASN C C 93 173.468 173.468 176.439 -2.971 19876 12022 1 18 . 1 1 93 93 ASN CA C 93 51.442 51.442 53.091 -1.649 19876 12023 1 18 . 1 1 93 93 ASN CB C 93 40.147 40.147 38.939 1.208 19876 12024 1 18 . 1 1 93 93 ASN H H 93 8.423 8.423 8.345 0.078 19876 12025 1 18 . 1 1 94 94 ASP N N 94 122.019 122.019 125.440 -3.421 19876 12026 1 18 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.422 0.069 19876 12027 1 18 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.373 0.745 19876 12028 1 18 . 1 1 94 94 ASP CB C 94 39.288 39.288 38.743 0.545 19876 12029 1 18 . 1 1 94 94 ASP H H 94 8.710 8.710 8.875 -0.165 19876 12030 1 18 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.326 -0.172 19876 12031 1 18 . 1 1 95 95 PRO CA C 95 66.554 66.554 65.739 0.815 19876 12032 1 18 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.179 -0.430 19876 12033 1 18 . 1 1 96 96 GLU N N 96 117.965 117.965 118.795 -0.830 19876 12034 1 18 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.097 -0.236 19876 12035 1 18 . 1 1 96 96 GLU C C 96 177.730 177.730 179.149 -1.419 19876 12036 1 18 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.952 -0.070 19876 12037 1 18 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.755 0.083 19876 12038 1 18 . 1 1 96 96 GLU H H 96 7.954 7.954 8.436 -0.482 19876 12039 1 18 . 1 1 97 97 LEU N N 97 124.427 124.427 121.050 3.377 19876 12040 1 18 . 1 1 97 97 LEU HA H 97 4.109 4.109 4.041 0.068 19876 12041 1 18 . 1 1 97 97 LEU C C 97 177.211 177.211 179.028 -1.817 19876 12042 1 18 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.556 -0.505 19876 12043 1 18 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.859 -0.088 19876 12044 1 18 . 1 1 97 97 LEU H H 97 7.825 7.825 8.726 -0.901 19876 12045 1 18 . 1 1 98 98 GLN N N 98 117.195 117.195 117.876 -0.681 19876 12046 1 18 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.091 -0.101 19876 12047 1 18 . 1 1 98 98 GLN C C 98 177.762 177.762 179.095 -1.333 19876 12048 1 18 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.732 -0.109 19876 12049 1 18 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.957 0.044 19876 12050 1 18 . 1 1 98 98 GLN H H 98 8.481 8.481 8.751 -0.270 19876 12051 1 18 . 1 1 99 99 ARG N N 99 119.687 119.687 120.364 -0.677 19876 12052 1 18 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.050 -0.128 19876 12053 1 18 . 1 1 99 99 ARG C C 99 176.055 176.055 178.409 -2.354 19876 12054 1 18 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.647 -0.034 19876 12055 1 18 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.066 0.256 19876 12056 1 18 . 1 1 99 99 ARG H H 99 7.836 7.836 8.637 -0.801 19876 12057 1 18 . 1 1 100 100 TRP N N 100 119.762 119.762 123.087 -3.325 19876 12058 1 18 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.620 -0.391 19876 12059 1 18 . 1 1 100 100 TRP C C 100 176.004 176.004 178.453 -2.449 19876 12060 1 18 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.109 0.896 19876 12061 1 18 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.123 -0.175 19876 12062 1 18 . 1 1 100 100 TRP H H 100 7.731 7.731 8.837 -1.106 19876 12063 1 18 . 1 1 101 101 GLN N N 101 115.464 115.464 117.572 -2.108 19876 12064 1 18 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.383 0.102 19876 12065 1 18 . 1 1 101 101 GLN C C 101 177.498 177.498 178.694 -1.196 19876 12066 1 18 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.478 -0.314 19876 12067 1 18 . 1 1 101 101 GLN CB C 101 28.082 28.082 27.965 0.117 19876 12068 1 18 . 1 1 101 101 GLN H H 101 8.277 8.277 8.995 -0.718 19876 12069 1 18 . 1 1 102 102 LYS N N 102 119.856 119.856 119.826 0.030 19876 12070 1 18 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.906 0.006 19876 12071 1 18 . 1 1 102 102 LYS C C 102 178.364 178.364 179.024 -0.660 19876 12072 1 18 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.635 -0.456 19876 12073 1 18 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.194 -0.369 19876 12074 1 18 . 1 1 102 102 LYS H H 102 8.047 8.047 8.408 -0.361 19876 12075 1 18 . 1 1 103 103 THR N N 103 121.217 121.217 116.588 4.629 19876 12076 1 18 . 1 1 103 103 THR HA H 103 3.658 3.658 3.920 -0.262 19876 12077 1 18 . 1 1 103 103 THR C C 103 174.266 174.266 176.396 -2.130 19876 12078 1 18 . 1 1 103 103 THR CA C 103 66.206 66.206 66.909 -0.703 19876 12079 1 18 . 1 1 103 103 THR CB C 103 67.515 67.515 68.516 -1.001 19876 12080 1 18 . 1 1 103 103 THR H H 103 8.816 8.816 8.356 0.460 19876 12081 1 18 . 1 1 104 104 LYS N N 104 122.265 122.265 120.049 2.216 19876 12082 1 18 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.313 -0.262 19876 12083 1 18 . 1 1 104 104 LYS C C 104 176.952 176.952 178.568 -1.616 19876 12084 1 18 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.965 1.555 19876 12085 1 18 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.744 -0.404 19876 12086 1 18 . 1 1 104 104 LYS H H 104 8.258 8.258 7.908 0.350 19876 12087 1 18 . 1 1 105 105 GLU N N 105 118.912 118.912 120.302 -1.390 19876 12088 1 18 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.813 -0.215 19876 12089 1 18 . 1 1 105 105 GLU C C 105 178.038 178.038 179.136 -1.098 19876 12090 1 18 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.150 0.368 19876 12091 1 18 . 1 1 105 105 GLU CB C 105 29.032 29.032 28.859 0.173 19876 12092 1 18 . 1 1 105 105 GLU H H 105 7.963 7.963 8.129 -0.166 19876 12093 1 18 . 1 1 106 106 ARG N N 106 120.201 120.201 119.122 1.079 19876 12094 1 18 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.957 -0.261 19876 12095 1 18 . 1 1 106 106 ARG C C 106 177.744 177.744 179.020 -1.276 19876 12096 1 18 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.089 0.905 19876 12097 1 18 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.974 0.814 19876 12098 1 18 . 1 1 106 106 ARG H H 106 7.940 7.940 8.366 -0.426 19876 12099 1 18 . 1 1 107 107 LEU N N 107 120.982 120.982 120.747 0.235 19876 12100 1 18 . 1 1 107 107 LEU HA H 107 3.745 3.745 4.068 -0.323 19876 12101 1 18 . 1 1 107 107 LEU C C 107 176.173 176.173 178.550 -2.377 19876 12102 1 18 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.463 -0.026 19876 12103 1 18 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.514 -0.645 19876 12104 1 18 . 1 1 107 107 LEU H H 107 8.242 8.242 7.781 0.461 19876 12105 1 18 . 1 1 108 108 PHE N N 108 117.793 117.793 118.403 -0.610 19876 12106 1 18 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.157 -0.155 19876 12107 1 18 . 1 1 108 108 PHE C C 108 177.654 177.654 177.800 -0.146 19876 12108 1 18 . 1 1 108 108 PHE CA C 108 61.189 61.189 62.305 -1.116 19876 12109 1 18 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.543 -1.758 19876 12110 1 18 . 1 1 108 108 PHE H H 108 8.772 8.772 8.600 0.172 19876 12111 1 18 . 1 1 109 109 ARG N N 109 121.726 121.726 118.255 3.471 19876 12112 1 18 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.014 -0.008 19876 12113 1 18 . 1 1 109 109 ARG C C 109 177.785 177.785 177.966 -0.181 19876 12114 1 18 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.907 0.435 19876 12115 1 18 . 1 1 109 109 ARG CB C 109 29.798 29.798 30.099 -0.301 19876 12116 1 18 . 1 1 109 109 ARG H H 109 7.865 7.865 8.194 -0.329 19876 12117 1 18 . 1 1 110 110 LEU N N 110 121.486 121.486 119.804 1.682 19876 12118 1 18 . 1 1 110 110 LEU HA H 110 4.094 4.094 4.111 -0.017 19876 12119 1 18 . 1 1 110 110 LEU C C 110 178.537 178.537 177.888 0.649 19876 12120 1 18 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.463 0.378 19876 12121 1 18 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.840 -1.019 19876 12122 1 18 . 1 1 110 110 LEU H H 110 7.338 7.338 7.576 -0.238 19876 12123 1 18 . 1 1 111 111 PHE N N 111 115.883 115.883 118.927 -3.044 19876 12124 1 18 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.085 0.231 19876 12125 1 18 . 1 1 111 111 PHE C C 111 175.369 175.369 177.437 -2.068 19876 12126 1 18 . 1 1 111 111 PHE CA C 111 59.079 59.079 61.361 -2.282 19876 12127 1 18 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.417 0.094 19876 12128 1 18 . 1 1 111 111 PHE H H 111 7.584 7.584 8.631 -1.047 19876 12129 1 18 . 1 1 112 112 SER N N 112 111.693 111.693 113.334 -1.641 19876 12130 1 18 . 1 1 112 112 SER HA H 112 4.329 4.329 4.425 -0.096 19876 12131 1 18 . 1 1 112 112 SER C C 112 173.353 173.353 175.082 -1.729 19876 12132 1 18 . 1 1 112 112 SER CA C 112 59.050 59.050 59.181 -0.131 19876 12133 1 18 . 1 1 112 112 SER CB C 112 63.841 63.841 63.210 0.631 19876 12134 1 18 . 1 1 112 112 SER H H 112 7.554 7.554 7.858 -0.304 19876 12135 1 18 . 1 1 113 113 GLY N N 113 109.665 109.665 107.653 2.012 19876 12136 1 18 . 1 1 113 113 GLY C C 113 173.407 173.407 173.978 -0.571 19876 12137 1 18 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.082 0.292 19876 12138 1 18 . 1 1 113 113 GLY H H 113 7.781 7.781 7.699 0.082 19876 12139 1 18 . 1 1 114 114 GLU N N 114 121.028 121.028 121.481 -0.453 19876 12140 1 18 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.401 -0.399 19876 12141 1 18 . 1 1 114 114 GLU C C 114 175.971 175.971 177.192 -1.221 19876 12142 1 18 . 1 1 114 114 GLU CA C 114 58.310 58.310 54.680 3.630 19876 12143 1 18 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.613 0.551 19876 12144 1 18 . 1 1 114 114 GLU H H 114 8.414 8.414 8.308 0.106 19876 12145 1 18 . 1 1 115 115 TYR N N 115 118.828 118.828 118.308 0.520 19876 12146 1 18 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.358 -0.046 19876 12147 1 18 . 1 1 115 115 TYR C C 115 175.248 175.248 178.635 -3.387 19876 12148 1 18 . 1 1 115 115 TYR CA C 115 59.734 59.734 60.121 -0.387 19876 12149 1 18 . 1 1 115 115 TYR CB C 115 38.371 38.371 37.354 1.017 19876 12150 1 18 . 1 1 115 115 TYR H H 115 7.939 7.939 7.519 0.420 19876 12151 1 18 . 1 1 116 116 ILE N N 116 120.412 120.412 120.070 0.342 19876 12152 1 18 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.546 0.197 19876 12153 1 18 . 1 1 116 116 ILE C C 116 175.591 175.591 177.881 -2.290 19876 12154 1 18 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.658 -2.522 19876 12155 1 18 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.497 0.730 19876 12156 1 18 . 1 1 116 116 ILE H H 116 7.892 7.892 7.903 -0.011 19876 12157 1 18 . 1 1 117 117 SER N N 117 117.142 117.142 113.881 3.261 19876 12158 1 18 . 1 1 117 117 SER HA H 117 4.141 4.141 4.135 0.006 19876 12159 1 18 . 1 1 117 117 SER C C 117 174.795 174.795 175.995 -1.200 19876 12160 1 18 . 1 1 117 117 SER CA C 117 60.437 60.437 61.746 -1.309 19876 12161 1 18 . 1 1 117 117 SER CB C 117 62.987 62.987 62.391 0.596 19876 12162 1 18 . 1 1 117 117 SER H H 117 8.127 8.127 8.012 0.115 19876 12163 1 18 . 1 1 118 118 THR N N 118 115.779 115.779 114.964 0.815 19876 12164 1 18 . 1 1 118 118 THR HA H 118 3.987 3.987 4.115 -0.128 19876 12165 1 18 . 1 1 118 118 THR C C 118 174.025 174.025 176.433 -2.408 19876 12166 1 18 . 1 1 118 118 THR CA C 118 64.026 64.026 64.357 -0.331 19876 12167 1 18 . 1 1 118 118 THR CB C 118 68.953 68.953 68.930 0.023 19876 12168 1 18 . 1 1 118 118 THR H H 118 7.872 7.872 7.165 0.707 19876 12169 1 18 . 1 1 119 119 LEU N N 119 122.845 122.845 123.685 -0.840 19876 12170 1 18 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.496 0.552 19876 12171 1 18 . 1 1 119 119 LEU C C 119 176.246 176.246 177.654 -1.408 19876 12172 1 18 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.686 -1.605 19876 12173 1 18 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.455 -0.250 19876 12174 1 18 . 1 1 119 119 LEU H H 119 7.679 7.679 8.287 -0.608 19876 12175 1 18 . 1 1 120 120 MET N N 120 117.447 117.447 114.660 2.787 19876 12176 1 18 . 1 1 120 120 MET HA H 120 4.243 4.243 4.488 -0.245 19876 12177 1 18 . 1 1 120 120 MET C C 120 174.594 174.594 175.753 -1.159 19876 12178 1 18 . 1 1 120 120 MET CA C 120 55.470 55.470 54.641 0.829 19876 12179 1 18 . 1 1 120 120 MET CB C 120 32.606 32.606 31.006 1.600 19876 12180 1 18 . 1 1 120 120 MET H H 120 7.812 7.812 8.375 -0.563 19876 12181 1 18 . 1 1 121 121 LYS N N 121 121.578 121.578 122.090 -0.512 19876 12182 1 18 . 1 1 121 121 LYS HA H 121 4.235 4.235 3.978 0.257 19876 12183 1 18 . 1 1 121 121 LYS C C 121 174.539 174.539 176.438 -1.899 19876 12184 1 18 . 1 1 121 121 LYS CA C 121 56.481 56.481 59.072 -2.591 19876 12185 1 18 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.521 0.445 19876 12186 1 18 . 1 1 121 121 LYS H H 121 7.790 7.790 7.917 -0.127 19876 12187 1 19 . 1 1 2 2 ASP N N 2 122.949 122.949 122.682 0.267 19876 12188 1 19 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.839 -0.395 19876 12189 1 19 . 1 1 2 2 ASP C C 2 174.891 174.891 175.382 -0.491 19876 12190 1 19 . 1 1 2 2 ASP CA C 2 53.622 53.622 53.786 -0.164 19876 12191 1 19 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.948 -0.629 19876 12192 1 19 . 1 1 2 2 ASP H H 2 8.386 8.386 8.437 -0.051 19876 12193 1 19 . 1 1 3 3 GLU N N 3 119.296 119.296 119.714 -0.418 19876 12194 1 19 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.470 -0.606 19876 12195 1 19 . 1 1 3 3 GLU C C 3 175.006 175.006 175.957 -0.951 19876 12196 1 19 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.792 2.281 19876 12197 1 19 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.641 -0.074 19876 12198 1 19 . 1 1 3 3 GLU H H 3 8.601 8.601 8.627 -0.026 19876 12199 1 19 . 1 1 4 4 TYR N N 4 118.038 118.038 119.245 -1.207 19876 12200 1 19 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.207 0.246 19876 12201 1 19 . 1 1 4 4 TYR C C 4 174.761 174.761 175.570 -0.809 19876 12202 1 19 . 1 1 4 4 TYR CA C 4 57.574 57.574 60.104 -2.530 19876 12203 1 19 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.922 0.073 19876 12204 1 19 . 1 1 4 4 TYR H H 4 8.049 8.049 8.165 -0.116 19876 12205 1 19 . 1 1 5 5 SER N N 5 118.519 118.519 113.044 5.475 19876 12206 1 19 . 1 1 5 5 SER HA H 5 4.444 4.444 5.167 -0.723 19876 12207 1 19 . 1 1 5 5 SER C C 5 171.907 171.907 172.614 -0.707 19876 12208 1 19 . 1 1 5 5 SER CA C 5 57.173 57.173 54.938 2.235 19876 12209 1 19 . 1 1 5 5 SER CB C 5 62.104 62.104 64.766 -2.662 19876 12210 1 19 . 1 1 5 5 SER H H 5 7.759 7.759 7.728 0.031 19876 12211 1 19 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.499 -0.055 19876 12212 1 19 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.463 1.134 19876 12213 1 19 . 1 1 6 6 PRO CB C 6 32.048 32.048 31.682 0.366 19876 12214 1 19 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.069 -0.281 19876 12215 1 19 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.304 0.196 19876 12216 1 19 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.312 0.269 19876 12217 1 19 . 1 1 9 9 HIS N N 9 118.064 118.064 119.928 -1.864 19876 12218 1 19 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.246 0.036 19876 12219 1 19 . 1 1 9 9 HIS C C 9 176.264 176.264 178.071 -1.807 19876 12220 1 19 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.683 -0.640 19876 12221 1 19 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.659 0.730 19876 12222 1 19 . 1 1 9 9 HIS H H 9 7.291 7.291 8.073 -0.782 19876 12223 1 19 . 1 1 10 10 ASP N N 10 122.089 122.089 119.500 2.589 19876 12224 1 19 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.783 -0.200 19876 12225 1 19 . 1 1 10 10 ASP C C 10 177.261 177.261 179.240 -1.979 19876 12226 1 19 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.722 0.150 19876 12227 1 19 . 1 1 10 10 ASP CB C 10 40.569 40.569 41.307 -0.738 19876 12228 1 19 . 1 1 10 10 ASP H H 10 8.221 8.221 8.050 0.171 19876 12229 1 19 . 1 1 11 11 VAL N N 11 119.318 119.318 120.761 -1.443 19876 12230 1 19 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.886 -0.399 19876 12231 1 19 . 1 1 11 11 VAL C C 11 175.661 175.661 178.292 -2.631 19876 12232 1 19 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.678 0.201 19876 12233 1 19 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.077 0.349 19876 12234 1 19 . 1 1 11 11 VAL H H 11 8.850 8.850 8.693 0.157 19876 12235 1 19 . 1 1 12 12 ALA N N 12 121.749 121.749 121.121 0.628 19876 12236 1 19 . 1 1 12 12 ALA HA H 12 3.769 3.769 4.014 -0.245 19876 12237 1 19 . 1 1 12 12 ALA C C 12 179.484 179.484 179.665 -0.181 19876 12238 1 19 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.527 -0.259 19876 12239 1 19 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.076 -0.334 19876 12240 1 19 . 1 1 12 12 ALA H H 12 7.676 7.676 8.532 -0.856 19876 12241 1 19 . 1 1 13 13 GLN N N 13 119.544 119.544 118.926 0.618 19876 12242 1 19 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.863 0.144 19876 12243 1 19 . 1 1 13 13 GLN C C 13 176.075 176.075 178.523 -2.448 19876 12244 1 19 . 1 1 13 13 GLN CA C 13 58.232 58.232 58.780 -0.548 19876 12245 1 19 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.289 -0.539 19876 12246 1 19 . 1 1 13 13 GLN H H 13 8.151 8.151 7.619 0.532 19876 12247 1 19 . 1 1 14 14 LEU N N 14 121.127 121.127 120.506 0.621 19876 12248 1 19 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.334 -0.778 19876 12249 1 19 . 1 1 14 14 LEU C C 14 176.935 176.935 178.691 -1.756 19876 12250 1 19 . 1 1 14 14 LEU CA C 14 57.724 57.724 57.755 -0.031 19876 12251 1 19 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.328 0.359 19876 12252 1 19 . 1 1 14 14 LEU H H 14 7.889 7.889 8.759 -0.870 19876 12253 1 19 . 1 1 15 15 LYS N N 15 120.458 120.458 119.490 0.968 19876 12254 1 19 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.650 0.012 19876 12255 1 19 . 1 1 15 15 LYS C C 15 176.022 176.022 178.539 -2.517 19876 12256 1 19 . 1 1 15 15 LYS CA C 15 60.038 60.038 59.647 0.391 19876 12257 1 19 . 1 1 15 15 LYS CB C 15 32.211 32.211 32.168 0.043 19876 12258 1 19 . 1 1 15 15 LYS H H 15 8.174 8.174 7.980 0.194 19876 12259 1 19 . 1 1 16 16 PHE N N 16 119.257 119.257 119.339 -0.082 19876 12260 1 19 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.034 0.153 19876 12261 1 19 . 1 1 16 16 PHE C C 16 177.917 177.917 178.289 -0.372 19876 12262 1 19 . 1 1 16 16 PHE CA C 16 60.330 60.330 62.127 -1.797 19876 12263 1 19 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.492 0.002 19876 12264 1 19 . 1 1 16 16 PHE H H 16 7.855 7.855 8.964 -1.109 19876 12265 1 19 . 1 1 17 17 LEU N N 17 121.489 121.489 119.567 1.922 19876 12266 1 19 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.953 -0.355 19876 12267 1 19 . 1 1 17 17 LEU C C 17 177.988 177.988 179.128 -1.140 19876 12268 1 19 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.534 -0.572 19876 12269 1 19 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.666 1.032 19876 12270 1 19 . 1 1 17 17 LEU H H 17 8.560 8.560 8.662 -0.102 19876 12271 1 19 . 1 1 18 18 CYS N N 18 116.216 116.216 118.445 -2.229 19876 12272 1 19 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.161 0.074 19876 12273 1 19 . 1 1 18 18 CYS C C 18 176.987 176.987 177.210 -0.223 19876 12274 1 19 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.037 2.537 19876 12275 1 19 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.729 1.575 19876 12276 1 19 . 1 1 18 18 CYS H H 18 8.194 8.194 8.157 0.037 19876 12277 1 19 . 1 1 19 19 GLU N N 19 123.947 123.947 120.842 3.105 19876 12278 1 19 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.122 -0.237 19876 12279 1 19 . 1 1 19 19 GLU C C 19 176.436 176.436 179.198 -2.762 19876 12280 1 19 . 1 1 19 19 GLU CA C 19 59.886 59.886 60.146 -0.260 19876 12281 1 19 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.299 -0.018 19876 12282 1 19 . 1 1 19 19 GLU H H 19 8.842 8.842 8.619 0.223 19876 12283 1 19 . 1 1 20 20 SER N N 20 116.500 116.500 115.988 0.512 19876 12284 1 19 . 1 1 20 20 SER HA H 20 4.056 4.056 4.146 -0.090 19876 12285 1 19 . 1 1 20 20 SER C C 20 174.835 174.835 176.539 -1.704 19876 12286 1 19 . 1 1 20 20 SER CA C 20 61.729 61.729 62.071 -0.342 19876 12287 1 19 . 1 1 20 20 SER CB C 20 62.360 62.360 63.290 -0.930 19876 12288 1 19 . 1 1 20 20 SER H H 20 8.198 8.198 8.409 -0.211 19876 12289 1 19 . 1 1 21 21 LEU N N 21 121.186 121.186 123.544 -2.358 19876 12290 1 19 . 1 1 21 21 LEU HA H 21 3.911 3.911 3.959 -0.048 19876 12291 1 19 . 1 1 21 21 LEU C C 21 175.905 175.905 178.009 -2.104 19876 12292 1 19 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.183 -0.230 19876 12293 1 19 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.995 -0.386 19876 12294 1 19 . 1 1 21 21 LEU H H 21 7.970 7.970 8.319 -0.349 19876 12295 1 19 . 1 1 22 22 TYR N N 22 119.690 119.690 120.403 -0.713 19876 12296 1 19 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.538 -0.220 19876 12297 1 19 . 1 1 22 22 TYR C C 22 175.453 175.453 177.849 -2.396 19876 12298 1 19 . 1 1 22 22 TYR CA C 22 62.240 62.240 59.807 2.433 19876 12299 1 19 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.623 -0.480 19876 12300 1 19 . 1 1 22 22 TYR H H 22 7.473 7.473 9.221 -1.748 19876 12301 1 19 . 1 1 23 23 ASP N N 23 118.291 118.291 118.007 0.284 19876 12302 1 19 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.185 -0.138 19876 12303 1 19 . 1 1 23 23 ASP C C 23 178.796 178.796 178.504 0.292 19876 12304 1 19 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.730 -0.446 19876 12305 1 19 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.643 -0.760 19876 12306 1 19 . 1 1 23 23 ASP H H 23 8.249 8.249 7.728 0.521 19876 12307 1 19 . 1 1 24 24 GLU N N 24 120.605 120.605 119.567 1.038 19876 12308 1 19 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.925 0.006 19876 12309 1 19 . 1 1 24 24 GLU C C 24 178.457 178.457 179.580 -1.123 19876 12310 1 19 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.195 -0.634 19876 12311 1 19 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.095 -0.173 19876 12312 1 19 . 1 1 24 24 GLU H H 24 8.347 8.347 8.382 -0.035 19876 12313 1 19 . 1 1 25 25 GLY N N 25 111.777 111.777 109.128 2.649 19876 12314 1 19 . 1 1 25 25 GLY C C 25 173.906 173.906 176.395 -2.489 19876 12315 1 19 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.377 0.091 19876 12316 1 19 . 1 1 25 25 GLY H H 25 8.701 8.701 8.901 -0.200 19876 12317 1 19 . 1 1 26 26 ILE N N 26 122.263 122.263 123.871 -1.608 19876 12318 1 19 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.754 0.003 19876 12319 1 19 . 1 1 26 26 ILE C C 26 178.116 178.116 178.255 -0.139 19876 12320 1 19 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.899 -1.668 19876 12321 1 19 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.852 -1.164 19876 12322 1 19 . 1 1 26 26 ILE H H 26 8.717 8.717 8.826 -0.109 19876 12323 1 19 . 1 1 27 27 ALA N N 27 122.092 122.092 121.491 0.601 19876 12324 1 19 . 1 1 27 27 ALA HA H 27 3.960 3.960 3.892 0.068 19876 12325 1 19 . 1 1 27 27 ALA C C 27 178.428 178.428 179.456 -1.028 19876 12326 1 19 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.132 -0.638 19876 12327 1 19 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.408 -0.358 19876 12328 1 19 . 1 1 27 27 ALA H H 27 7.672 7.672 8.533 -0.861 19876 12329 1 19 . 1 1 28 28 THR N N 28 115.031 115.031 113.378 1.653 19876 12330 1 19 . 1 1 28 28 THR HA H 28 3.734 3.734 4.199 -0.465 19876 12331 1 19 . 1 1 28 28 THR C C 28 174.403 174.403 176.669 -2.266 19876 12332 1 19 . 1 1 28 28 THR CA C 28 65.750 65.750 64.921 0.829 19876 12333 1 19 . 1 1 28 28 THR CB C 28 68.530 68.530 69.420 -0.890 19876 12334 1 19 . 1 1 28 28 THR H H 28 7.554 7.554 7.718 -0.164 19876 12335 1 19 . 1 1 29 29 LEU N N 29 121.356 121.356 120.914 0.442 19876 12336 1 19 . 1 1 29 29 LEU HA H 29 3.810 3.810 3.761 0.049 19876 12337 1 19 . 1 1 29 29 LEU C C 29 176.694 176.694 178.115 -1.421 19876 12338 1 19 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.248 -0.754 19876 12339 1 19 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.642 0.537 19876 12340 1 19 . 1 1 29 29 LEU H H 29 7.580 7.580 8.606 -1.026 19876 12341 1 19 . 1 1 30 30 GLY CA C 30 44.903 44.903 46.048 -1.145 19876 12342 1 19 . 1 1 31 31 ASP N N 31 119.983 119.983 120.823 -0.840 19876 12343 1 19 . 1 1 31 31 ASP HA H 31 4.563 4.563 5.008 -0.445 19876 12344 1 19 . 1 1 31 31 ASP C C 31 175.609 175.609 175.764 -0.155 19876 12345 1 19 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.637 0.246 19876 12346 1 19 . 1 1 31 31 ASP CB C 31 41.558 41.558 43.000 -1.442 19876 12347 1 19 . 1 1 31 31 ASP H H 31 8.017 8.017 8.260 -0.243 19876 12348 1 19 . 1 1 32 32 SER N N 32 118.027 118.027 121.490 -3.463 19876 12349 1 19 . 1 1 32 32 SER HA H 32 4.191 4.191 4.358 -0.167 19876 12350 1 19 . 1 1 32 32 SER C C 32 178.747 178.747 176.522 2.225 19876 12351 1 19 . 1 1 32 32 SER CA C 32 59.247 59.247 61.374 -2.127 19876 12352 1 19 . 1 1 32 32 SER CB C 32 63.224 63.224 63.291 -0.067 19876 12353 1 19 . 1 1 32 32 SER H H 32 8.284 8.284 8.964 -0.680 19876 12354 1 19 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.230 0.115 19876 12355 1 19 . 1 1 33 33 HIS CA C 33 57.029 57.029 58.817 -1.788 19876 12356 1 19 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.888 -0.329 19876 12357 1 19 . 1 1 34 34 HIS N N 34 117.885 117.885 115.341 2.544 19876 12358 1 19 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.125 0.359 19876 12359 1 19 . 1 1 34 34 HIS CA C 34 55.947 55.947 57.364 -1.417 19876 12360 1 19 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.343 0.424 19876 12361 1 19 . 1 1 34 34 HIS H H 34 7.896 7.896 8.671 -0.775 19876 12362 1 19 . 1 1 35 35 GLY N N 35 108.681 108.681 107.030 1.651 19876 12363 1 19 . 1 1 35 35 GLY C C 35 172.466 172.466 174.872 -2.406 19876 12364 1 19 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.297 0.002 19876 12365 1 19 . 1 1 35 35 GLY H H 35 7.864 7.864 7.906 -0.042 19876 12366 1 19 . 1 1 36 36 TRP N N 36 120.973 120.973 119.084 1.889 19876 12367 1 19 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.528 -0.034 19876 12368 1 19 . 1 1 36 36 TRP C C 36 174.594 174.594 176.030 -1.436 19876 12369 1 19 . 1 1 36 36 TRP CA C 36 57.866 57.866 57.343 0.523 19876 12370 1 19 . 1 1 36 36 TRP CB C 36 29.587 29.587 29.779 -0.192 19876 12371 1 19 . 1 1 36 36 TRP H H 36 7.809 7.809 7.261 0.548 19876 12372 1 19 . 1 1 37 37 VAL N N 37 122.778 122.778 117.646 5.132 19876 12373 1 19 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.417 -0.630 19876 12374 1 19 . 1 1 37 37 VAL C C 37 173.396 173.396 174.602 -1.206 19876 12375 1 19 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.291 0.993 19876 12376 1 19 . 1 1 37 37 VAL CB C 37 33.534 33.534 34.098 -0.564 19876 12377 1 19 . 1 1 37 37 VAL H H 37 7.712 7.712 8.303 -0.591 19876 12378 1 19 . 1 1 38 38 ASN N N 38 121.869 121.869 120.497 1.372 19876 12379 1 19 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.875 -0.640 19876 12380 1 19 . 1 1 38 38 ASN C C 38 172.186 172.186 173.712 -1.526 19876 12381 1 19 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.166 1.904 19876 12382 1 19 . 1 1 38 38 ASN CB C 38 40.629 40.629 41.387 -0.758 19876 12383 1 19 . 1 1 38 38 ASN H H 38 7.768 7.768 8.993 -1.225 19876 12384 1 19 . 1 1 39 39 ASP N N 39 123.332 123.332 122.072 1.260 19876 12385 1 19 . 1 1 39 39 ASP HA H 39 4.859 4.859 5.264 -0.405 19876 12386 1 19 . 1 1 39 39 ASP C C 39 173.301 173.301 176.265 -2.964 19876 12387 1 19 . 1 1 39 39 ASP CA C 39 49.860 49.860 50.191 -0.331 19876 12388 1 19 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.356 -0.648 19876 12389 1 19 . 1 1 39 39 ASP H H 39 8.300 8.300 8.360 -0.060 19876 12390 1 19 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.383 -0.227 19876 12391 1 19 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.880 -0.946 19876 12392 1 19 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.072 0.820 19876 12393 1 19 . 1 1 41 41 THR N N 41 107.824 107.824 106.424 1.400 19876 12394 1 19 . 1 1 41 41 THR HA H 41 4.191 4.191 4.327 -0.136 19876 12395 1 19 . 1 1 41 41 THR C C 41 173.405 173.405 175.021 -1.616 19876 12396 1 19 . 1 1 41 41 THR CA C 41 61.283 61.283 61.263 0.020 19876 12397 1 19 . 1 1 41 41 THR CB C 41 69.351 69.351 69.274 0.077 19876 12398 1 19 . 1 1 41 41 THR H H 41 7.923 7.923 8.112 -0.189 19876 12399 1 19 . 1 1 42 42 SER N N 42 118.745 118.745 117.839 0.906 19876 12400 1 19 . 1 1 42 42 SER HA H 42 4.187 4.187 4.427 -0.240 19876 12401 1 19 . 1 1 42 42 SER C C 42 172.750 172.750 175.873 -3.123 19876 12402 1 19 . 1 1 42 42 SER CA C 42 58.320 58.320 58.292 0.028 19876 12403 1 19 . 1 1 42 42 SER CB C 42 64.569 64.569 64.413 0.156 19876 12404 1 19 . 1 1 42 42 SER H H 42 7.705 7.705 7.890 -0.185 19876 12405 1 19 . 1 1 43 43 ALA N N 43 124.591 124.591 127.886 -3.295 19876 12406 1 19 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.935 0.025 19876 12407 1 19 . 1 1 43 43 ALA C C 43 178.795 178.795 179.283 -0.488 19876 12408 1 19 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.423 -0.287 19876 12409 1 19 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.297 -0.153 19876 12410 1 19 . 1 1 43 43 ALA H H 43 8.540 8.540 8.952 -0.412 19876 12411 1 19 . 1 1 44 44 VAL N N 44 115.734 115.734 114.432 1.302 19876 12412 1 19 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.535 0.184 19876 12413 1 19 . 1 1 44 44 VAL C C 44 176.057 176.057 177.855 -1.798 19876 12414 1 19 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.660 -0.958 19876 12415 1 19 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.307 0.428 19876 12416 1 19 . 1 1 44 44 VAL H H 44 7.836 7.836 8.022 -0.186 19876 12417 1 19 . 1 1 45 45 ASN N N 45 123.038 123.038 119.271 3.767 19876 12418 1 19 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.029 0.015 19876 12419 1 19 . 1 1 45 45 ASN C C 45 176.022 176.022 177.747 -1.725 19876 12420 1 19 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.636 0.199 19876 12421 1 19 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.274 -0.553 19876 12422 1 19 . 1 1 45 45 ASN H H 45 7.709 7.709 7.507 0.202 19876 12423 1 19 . 1 1 46 46 LEU N N 46 122.005 122.005 120.176 1.829 19876 12424 1 19 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.933 -0.007 19876 12425 1 19 . 1 1 46 46 LEU C C 46 178.192 178.192 178.956 -0.764 19876 12426 1 19 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.288 -0.245 19876 12427 1 19 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.576 -0.746 19876 12428 1 19 . 1 1 46 46 LEU H H 46 8.239 8.239 8.678 -0.439 19876 12429 1 19 . 1 1 47 47 GLN N N 47 119.394 119.394 119.416 -0.022 19876 12430 1 19 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.901 0.070 19876 12431 1 19 . 1 1 47 47 GLN C C 47 177.762 177.762 178.560 -0.798 19876 12432 1 19 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.335 -0.644 19876 12433 1 19 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.613 -0.486 19876 12434 1 19 . 1 1 47 47 GLN H H 47 7.825 7.825 7.714 0.111 19876 12435 1 19 . 1 1 48 48 LEU N N 48 122.808 122.808 119.437 3.371 19876 12436 1 19 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.731 0.012 19876 12437 1 19 . 1 1 48 48 LEU C C 48 177.366 177.366 178.659 -1.293 19876 12438 1 19 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.935 -0.661 19876 12439 1 19 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.954 0.505 19876 12440 1 19 . 1 1 48 48 LEU H H 48 7.625 7.625 8.596 -0.971 19876 12441 1 19 . 1 1 49 49 ASN N N 49 117.784 117.784 117.954 -0.170 19876 12442 1 19 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.387 -0.101 19876 12443 1 19 . 1 1 49 49 ASN C C 49 176.893 176.893 177.183 -0.290 19876 12444 1 19 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.403 -1.267 19876 12445 1 19 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.182 -0.572 19876 12446 1 19 . 1 1 49 49 ASN H H 49 7.797 7.797 8.190 -0.393 19876 12447 1 19 . 1 1 50 50 ASP N N 50 120.887 120.887 121.404 -0.517 19876 12448 1 19 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.433 -0.129 19876 12449 1 19 . 1 1 50 50 ASP C C 50 177.452 177.452 178.597 -1.145 19876 12450 1 19 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.588 -0.201 19876 12451 1 19 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.228 -0.638 19876 12452 1 19 . 1 1 50 50 ASP H H 50 7.868 7.868 8.365 -0.497 19876 12453 1 19 . 1 1 51 51 LEU N N 51 123.117 123.117 121.337 1.780 19876 12454 1 19 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.848 0.310 19876 12455 1 19 . 1 1 51 51 LEU C C 51 177.345 177.345 179.479 -2.134 19876 12456 1 19 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.750 -0.786 19876 12457 1 19 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.940 -0.939 19876 12458 1 19 . 1 1 51 51 LEU H H 51 7.627 7.627 8.646 -1.019 19876 12459 1 19 . 1 1 52 52 ILE N N 52 120.007 120.007 118.643 1.364 19876 12460 1 19 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.526 -0.159 19876 12461 1 19 . 1 1 52 52 ILE C C 52 176.246 176.246 178.020 -1.774 19876 12462 1 19 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.100 0.920 19876 12463 1 19 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.555 0.627 19876 12464 1 19 . 1 1 52 52 ILE H H 52 8.309 8.309 8.786 -0.477 19876 12465 1 19 . 1 1 53 53 GLU N N 53 117.619 117.619 118.955 -1.336 19876 12466 1 19 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.926 0.005 19876 12467 1 19 . 1 1 53 53 GLU C C 53 178.193 178.193 178.888 -0.695 19876 12468 1 19 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.910 -0.457 19876 12469 1 19 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.715 -0.367 19876 12470 1 19 . 1 1 53 53 GLU H H 53 7.965 7.965 7.826 0.139 19876 12471 1 19 . 1 1 54 54 HIS N N 54 120.335 120.335 120.383 -0.048 19876 12472 1 19 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.248 0.064 19876 12473 1 19 . 1 1 54 54 HIS C C 54 177.331 177.331 178.129 -0.798 19876 12474 1 19 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.958 -0.396 19876 12475 1 19 . 1 1 54 54 HIS CB C 54 30.197 30.197 30.013 0.184 19876 12476 1 19 . 1 1 54 54 HIS H H 54 8.117 8.117 8.840 -0.723 19876 12477 1 19 . 1 1 55 55 ILE N N 55 120.694 120.694 118.728 1.966 19876 12478 1 19 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.929 -0.490 19876 12479 1 19 . 1 1 55 55 ILE C C 55 176.281 176.281 177.724 -1.443 19876 12480 1 19 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.015 0.936 19876 12481 1 19 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.930 -0.901 19876 12482 1 19 . 1 1 55 55 ILE H H 55 8.655 8.655 8.868 -0.213 19876 12483 1 19 . 1 1 56 56 ALA N N 56 123.896 123.896 124.426 -0.530 19876 12484 1 19 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.893 -0.132 19876 12485 1 19 . 1 1 56 56 ALA C C 56 179.581 179.581 179.589 -0.008 19876 12486 1 19 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.694 -0.082 19876 12487 1 19 . 1 1 56 56 ALA CB C 56 17.649 17.649 17.899 -0.250 19876 12488 1 19 . 1 1 56 56 ALA H H 56 9.063 9.063 8.805 0.258 19876 12489 1 19 . 1 1 57 57 SER N N 57 114.014 114.014 115.377 -1.363 19876 12490 1 19 . 1 1 57 57 SER HA H 57 4.165 4.165 4.238 -0.073 19876 12491 1 19 . 1 1 57 57 SER C C 57 175.540 175.540 176.492 -0.952 19876 12492 1 19 . 1 1 57 57 SER CA C 57 61.491 61.491 62.077 -0.586 19876 12493 1 19 . 1 1 57 57 SER CB C 57 62.640 62.640 62.782 -0.142 19876 12494 1 19 . 1 1 57 57 SER H H 57 7.918 7.918 8.811 -0.893 19876 12495 1 19 . 1 1 58 58 PHE N N 58 125.013 125.013 123.873 1.140 19876 12496 1 19 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.326 -0.308 19876 12497 1 19 . 1 1 58 58 PHE C C 58 177.343 177.343 177.106 0.237 19876 12498 1 19 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.534 1.142 19876 12499 1 19 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.752 0.432 19876 12500 1 19 . 1 1 58 58 PHE H H 58 8.024 8.024 7.786 0.238 19876 12501 1 19 . 1 1 59 59 VAL N N 59 120.373 120.373 119.937 0.436 19876 12502 1 19 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.067 0.590 19876 12503 1 19 . 1 1 59 59 VAL C C 59 175.403 175.403 177.882 -2.479 19876 12504 1 19 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.049 -0.947 19876 12505 1 19 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.466 -0.028 19876 12506 1 19 . 1 1 59 59 VAL H H 59 9.263 9.263 8.875 0.388 19876 12507 1 19 . 1 1 60 60 MET N N 60 120.360 120.360 118.763 1.597 19876 12508 1 19 . 1 1 60 60 MET HA H 60 4.002 4.002 3.866 0.136 19876 12509 1 19 . 1 1 60 60 MET C C 60 177.417 177.417 178.690 -1.273 19876 12510 1 19 . 1 1 60 60 MET CA C 60 59.396 59.396 59.639 -0.243 19876 12511 1 19 . 1 1 60 60 MET CB C 60 31.986 31.986 32.547 -0.561 19876 12512 1 19 . 1 1 60 60 MET H H 60 7.826 7.826 8.973 -1.147 19876 12513 1 19 . 1 1 61 61 SER N N 61 113.289 113.289 115.122 -1.833 19876 12514 1 19 . 1 1 61 61 SER HA H 61 4.035 4.035 4.153 -0.118 19876 12515 1 19 . 1 1 61 61 SER CA C 61 61.619 61.619 61.755 -0.136 19876 12516 1 19 . 1 1 61 61 SER CB C 61 62.600 62.600 62.980 -0.380 19876 12517 1 19 . 1 1 61 61 SER H H 61 7.230 7.230 8.165 -0.935 19876 12518 1 19 . 1 1 62 62 PHE N N 62 126.395 126.395 124.274 2.121 19876 12519 1 19 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.964 -0.323 19876 12520 1 19 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.158 -0.214 19876 12521 1 19 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.697 1.765 19876 12522 1 19 . 1 1 62 62 PHE H H 62 8.681 8.681 8.816 -0.135 19876 12523 1 19 . 1 1 63 63 LYS N N 63 116.676 116.676 117.197 -0.521 19876 12524 1 19 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.206 -0.174 19876 12525 1 19 . 1 1 63 63 LYS C C 63 177.262 177.262 178.434 -1.172 19876 12526 1 19 . 1 1 63 63 LYS CA C 63 58.688 58.688 59.064 -0.376 19876 12527 1 19 . 1 1 63 63 LYS CB C 63 32.849 32.849 32.040 0.809 19876 12528 1 19 . 1 1 63 63 LYS H H 63 8.585 8.585 8.676 -0.091 19876 12529 1 19 . 1 1 64 64 ILE N N 64 117.020 117.020 117.964 -0.944 19876 12530 1 19 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.750 -0.227 19876 12531 1 19 . 1 1 64 64 ILE C C 64 176.151 176.151 177.632 -1.481 19876 12532 1 19 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.564 -0.571 19876 12533 1 19 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.928 0.249 19876 12534 1 19 . 1 1 64 64 ILE H H 64 6.751 6.751 7.388 -0.637 19876 12535 1 19 . 1 1 65 65 LYS N N 65 120.165 120.165 118.432 1.733 19876 12536 1 19 . 1 1 65 65 LYS HA H 65 3.439 3.439 3.951 -0.512 19876 12537 1 19 . 1 1 65 65 LYS C C 65 175.133 175.133 177.149 -2.016 19876 12538 1 19 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.877 0.078 19876 12539 1 19 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.010 -0.053 19876 12540 1 19 . 1 1 65 65 LYS H H 65 7.058 7.058 7.716 -0.658 19876 12541 1 19 . 1 1 66 66 TYR N N 66 115.421 115.421 118.174 -2.753 19876 12542 1 19 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.689 0.199 19876 12543 1 19 . 1 1 66 66 TYR C C 66 173.061 173.061 172.561 0.500 19876 12544 1 19 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.636 -1.107 19876 12545 1 19 . 1 1 66 66 TYR CB C 66 36.669 36.669 41.300 -4.630 19876 12546 1 19 . 1 1 66 66 TYR H H 66 7.784 7.784 8.187 -0.403 19876 12547 1 19 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.656 -0.299 19876 12548 1 19 . 1 1 67 67 PRO CA C 67 64.510 64.510 63.884 0.626 19876 12549 1 19 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.461 -0.556 19876 12550 1 19 . 1 1 68 68 ASP N N 68 117.110 117.110 118.316 -1.206 19876 12551 1 19 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.398 0.329 19876 12552 1 19 . 1 1 68 68 ASP C C 68 175.024 175.024 177.076 -2.052 19876 12553 1 19 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.666 -0.923 19876 12554 1 19 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.173 0.321 19876 12555 1 19 . 1 1 68 68 ASP H H 68 8.548 8.548 7.585 0.963 19876 12556 1 19 . 1 1 69 69 ASP N N 69 122.994 122.994 116.208 6.786 19876 12557 1 19 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.180 0.811 19876 12558 1 19 . 1 1 69 69 ASP C C 69 174.782 174.782 177.921 -3.139 19876 12559 1 19 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.715 0.600 19876 12560 1 19 . 1 1 69 69 ASP CB C 69 40.163 40.163 39.925 0.237 19876 12561 1 19 . 1 1 69 69 ASP H H 69 7.545 7.545 8.273 -0.728 19876 12562 1 19 . 1 1 70 70 GLY N N 70 107.712 107.712 109.897 -2.185 19876 12563 1 19 . 1 1 70 70 GLY C C 70 173.987 173.987 175.770 -1.783 19876 12564 1 19 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.864 -0.532 19876 12565 1 19 . 1 1 70 70 GLY H H 70 7.879 7.879 7.958 -0.079 19876 12566 1 19 . 1 1 71 71 ASP N N 71 119.785 119.785 121.520 -1.735 19876 12567 1 19 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.447 -0.252 19876 12568 1 19 . 1 1 71 71 ASP C C 71 177.114 177.114 178.189 -1.075 19876 12569 1 19 . 1 1 71 71 ASP CA C 71 57.052 57.052 58.142 -1.090 19876 12570 1 19 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.863 -1.518 19876 12571 1 19 . 1 1 71 71 ASP H H 71 8.447 8.447 8.207 0.240 19876 12572 1 19 . 1 1 72 72 LEU N N 72 119.776 119.776 120.766 -0.990 19876 12573 1 19 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.903 -0.036 19876 12574 1 19 . 1 1 72 72 LEU C C 72 176.531 176.531 178.077 -1.546 19876 12575 1 19 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.560 -0.108 19876 12576 1 19 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.254 0.481 19876 12577 1 19 . 1 1 72 72 LEU H H 72 7.562 7.562 7.560 0.002 19876 12578 1 19 . 1 1 73 73 SER N N 73 113.964 113.964 115.938 -1.974 19876 12579 1 19 . 1 1 73 73 SER HA H 73 3.605 3.605 3.848 -0.243 19876 12580 1 19 . 1 1 73 73 SER C C 73 174.610 174.610 176.470 -1.860 19876 12581 1 19 . 1 1 73 73 SER CA C 73 62.161 62.161 61.719 0.442 19876 12582 1 19 . 1 1 73 73 SER CB C 73 62.158 62.158 62.538 -0.380 19876 12583 1 19 . 1 1 73 73 SER H H 73 8.050 8.050 8.550 -0.500 19876 12584 1 19 . 1 1 74 74 GLU N N 74 119.742 119.742 123.741 -3.999 19876 12585 1 19 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.018 0.053 19876 12586 1 19 . 1 1 74 74 GLU C C 74 178.089 178.089 178.973 -0.884 19876 12587 1 19 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.570 -0.468 19876 12588 1 19 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.565 -0.352 19876 12589 1 19 . 1 1 74 74 GLU H H 74 8.623 8.623 8.226 0.397 19876 12590 1 19 . 1 1 75 75 LEU N N 75 122.325 122.325 120.547 1.778 19876 12591 1 19 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.099 0.144 19876 12592 1 19 . 1 1 75 75 LEU C C 75 177.962 177.962 178.862 -0.900 19876 12593 1 19 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.717 -0.337 19876 12594 1 19 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.465 -0.061 19876 12595 1 19 . 1 1 75 75 LEU H H 75 7.255 7.255 8.311 -1.056 19876 12596 1 19 . 1 1 76 76 VAL N N 76 119.514 119.514 120.614 -1.100 19876 12597 1 19 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.630 -0.043 19876 12598 1 19 . 1 1 76 76 VAL C C 76 176.909 176.909 178.233 -1.324 19876 12599 1 19 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.784 -0.524 19876 12600 1 19 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.452 -0.509 19876 12601 1 19 . 1 1 76 76 VAL H H 76 8.235 8.235 8.758 -0.523 19876 12602 1 19 . 1 1 77 77 GLU N N 77 118.692 118.692 119.924 -1.232 19876 12603 1 19 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.874 -0.135 19876 12604 1 19 . 1 1 77 77 GLU C C 77 177.692 177.692 179.266 -1.574 19876 12605 1 19 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.107 0.900 19876 12606 1 19 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.280 -0.123 19876 12607 1 19 . 1 1 77 77 GLU H H 77 8.204 8.204 8.895 -0.691 19876 12608 1 19 . 1 1 78 78 GLU N N 78 121.945 121.945 119.577 2.368 19876 12609 1 19 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.049 -0.021 19876 12610 1 19 . 1 1 78 78 GLU C C 78 176.559 176.559 178.939 -2.380 19876 12611 1 19 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.935 -0.361 19876 12612 1 19 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.706 0.179 19876 12613 1 19 . 1 1 78 78 GLU H H 78 8.058 8.058 8.547 -0.489 19876 12614 1 19 . 1 1 79 79 TYR N N 79 119.945 119.945 121.335 -1.390 19876 12615 1 19 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.247 0.153 19876 12616 1 19 . 1 1 79 79 TYR C C 79 178.365 178.365 178.133 0.232 19876 12617 1 19 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.412 -0.311 19876 12618 1 19 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.258 0.380 19876 12619 1 19 . 1 1 79 79 TYR H H 79 8.347 8.347 8.642 -0.295 19876 12620 1 19 . 1 1 80 80 LEU N N 80 123.586 123.586 118.787 4.799 19876 12621 1 19 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.817 -0.168 19876 12622 1 19 . 1 1 80 80 LEU C C 80 177.594 177.594 179.103 -1.509 19876 12623 1 19 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.163 0.516 19876 12624 1 19 . 1 1 80 80 LEU CB C 80 40.642 40.642 40.990 -0.348 19876 12625 1 19 . 1 1 80 80 LEU H H 80 9.113 9.113 8.690 0.423 19876 12626 1 19 . 1 1 81 81 ASP N N 81 121.522 121.522 119.897 1.625 19876 12627 1 19 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.315 0.091 19876 12628 1 19 . 1 1 81 81 ASP C C 81 178.021 178.021 178.480 -0.459 19876 12629 1 19 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.379 -0.690 19876 12630 1 19 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.866 -0.224 19876 12631 1 19 . 1 1 81 81 ASP H H 81 8.228 8.228 8.761 -0.533 19876 12632 1 19 . 1 1 82 82 ASP N N 82 120.931 120.931 119.921 1.010 19876 12633 1 19 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.526 -0.104 19876 12634 1 19 . 1 1 82 82 ASP C C 82 178.342 178.342 179.042 -0.700 19876 12635 1 19 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.710 0.197 19876 12636 1 19 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.734 0.099 19876 12637 1 19 . 1 1 82 82 ASP H H 82 9.139 9.139 8.794 0.345 19876 12638 1 19 . 1 1 83 83 THR N N 83 118.686 118.686 117.818 0.868 19876 12639 1 19 . 1 1 83 83 THR HA H 83 3.415 3.415 3.834 -0.419 19876 12640 1 19 . 1 1 83 83 THR C C 83 173.663 173.663 176.390 -2.727 19876 12641 1 19 . 1 1 83 83 THR CA C 83 67.258 67.258 67.170 0.088 19876 12642 1 19 . 1 1 83 83 THR CB C 83 68.017 68.017 68.912 -0.895 19876 12643 1 19 . 1 1 83 83 THR H H 83 8.394 8.394 8.790 -0.396 19876 12644 1 19 . 1 1 84 84 TYR N N 84 122.004 122.004 122.781 -0.777 19876 12645 1 19 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.122 -0.379 19876 12646 1 19 . 1 1 84 84 TYR C C 84 177.983 177.983 177.441 0.542 19876 12647 1 19 . 1 1 84 84 TYR CA C 84 62.107 62.107 62.081 0.026 19876 12648 1 19 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.514 -0.063 19876 12649 1 19 . 1 1 84 84 TYR H H 84 8.561 8.561 8.911 -0.350 19876 12650 1 19 . 1 1 85 85 THR N N 85 116.249 116.249 115.815 0.434 19876 12651 1 19 . 1 1 85 85 THR HA H 85 3.409 3.409 3.822 -0.413 19876 12652 1 19 . 1 1 85 85 THR C C 85 174.628 174.628 176.376 -1.748 19876 12653 1 19 . 1 1 85 85 THR CA C 85 66.483 66.483 66.353 0.130 19876 12654 1 19 . 1 1 85 85 THR CB C 85 68.604 68.604 68.715 -0.111 19876 12655 1 19 . 1 1 85 85 THR H H 85 8.749 8.749 8.689 0.060 19876 12656 1 19 . 1 1 86 86 LEU N N 86 121.835 121.835 120.211 1.624 19876 12657 1 19 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.889 -0.334 19876 12658 1 19 . 1 1 86 86 LEU C C 86 176.057 176.057 179.390 -3.333 19876 12659 1 19 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.189 0.817 19876 12660 1 19 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.675 1.098 19876 12661 1 19 . 1 1 86 86 LEU H H 86 7.257 7.257 8.383 -1.126 19876 12662 1 19 . 1 1 87 87 PHE N N 87 111.264 111.264 116.687 -5.423 19876 12663 1 19 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.070 -0.093 19876 12664 1 19 . 1 1 87 87 PHE C C 87 174.687 174.687 177.244 -2.557 19876 12665 1 19 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.868 -0.128 19876 12666 1 19 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.746 0.685 19876 12667 1 19 . 1 1 87 87 PHE H H 87 7.168 7.168 8.401 -1.233 19876 12668 1 19 . 1 1 88 88 SER N N 88 112.848 112.848 113.765 -0.917 19876 12669 1 19 . 1 1 88 88 SER HA H 88 4.207 4.207 4.189 0.018 19876 12670 1 19 . 1 1 88 88 SER C C 88 172.760 172.760 174.243 -1.483 19876 12671 1 19 . 1 1 88 88 SER CA C 88 58.725 58.725 59.145 -0.420 19876 12672 1 19 . 1 1 88 88 SER CB C 88 63.342 63.342 63.001 0.341 19876 12673 1 19 . 1 1 88 88 SER H H 88 7.290 7.290 7.871 -0.581 19876 12674 1 19 . 1 1 89 89 SER N N 89 116.554 116.554 117.158 -0.604 19876 12675 1 19 . 1 1 89 89 SER HA H 89 4.347 4.347 4.304 0.043 19876 12676 1 19 . 1 1 89 89 SER C C 89 172.251 172.251 173.630 -1.379 19876 12677 1 19 . 1 1 89 89 SER CA C 89 57.597 57.597 58.065 -0.468 19876 12678 1 19 . 1 1 89 89 SER CB C 89 64.426 64.426 64.032 0.394 19876 12679 1 19 . 1 1 89 89 SER H H 89 7.064 7.064 7.768 -0.704 19876 12680 1 19 . 1 1 90 90 TYR N N 90 122.348 122.348 116.648 5.700 19876 12681 1 19 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.839 -0.496 19876 12682 1 19 . 1 1 90 90 TYR C C 90 175.043 175.043 176.261 -1.218 19876 12683 1 19 . 1 1 90 90 TYR CA C 90 58.972 58.972 59.428 -0.456 19876 12684 1 19 . 1 1 90 90 TYR CB C 90 37.626 37.626 40.461 -2.835 19876 12685 1 19 . 1 1 90 90 TYR H H 90 8.446 8.446 8.284 0.162 19876 12686 1 19 . 1 1 91 91 GLY N N 91 111.349 111.349 105.232 6.117 19876 12687 1 19 . 1 1 91 91 GLY C C 91 170.874 170.874 173.662 -2.788 19876 12688 1 19 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.245 1.489 19876 12689 1 19 . 1 1 91 91 GLY H H 91 7.820 7.820 7.636 0.184 19876 12690 1 19 . 1 1 92 92 ILE N N 92 121.703 121.703 122.323 -0.620 19876 12691 1 19 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.815 0.063 19876 12692 1 19 . 1 1 92 92 ILE C C 92 173.956 173.956 175.598 -1.642 19876 12693 1 19 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.245 -0.118 19876 12694 1 19 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.839 1.603 19876 12695 1 19 . 1 1 92 92 ILE H H 92 8.032 8.032 8.431 -0.399 19876 12696 1 19 . 1 1 93 93 ASN N N 93 125.791 125.791 127.288 -1.497 19876 12697 1 19 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.678 0.236 19876 12698 1 19 . 1 1 93 93 ASN C C 93 173.468 173.468 175.510 -2.042 19876 12699 1 19 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.760 -1.318 19876 12700 1 19 . 1 1 93 93 ASN CB C 93 40.147 40.147 39.839 0.308 19876 12701 1 19 . 1 1 93 93 ASN H H 93 8.423 8.423 8.359 0.064 19876 12702 1 19 . 1 1 94 94 ASP N N 94 122.019 122.019 127.504 -5.485 19876 12703 1 19 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.523 -0.032 19876 12704 1 19 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.025 0.093 19876 12705 1 19 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.662 -0.374 19876 12706 1 19 . 1 1 94 94 ASP H H 94 8.710 8.710 8.925 -0.215 19876 12707 1 19 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.249 -0.095 19876 12708 1 19 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.114 0.440 19876 12709 1 19 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.446 -0.697 19876 12710 1 19 . 1 1 96 96 GLU N N 96 117.965 117.965 117.693 0.272 19876 12711 1 19 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.103 -0.242 19876 12712 1 19 . 1 1 96 96 GLU C C 96 177.730 177.730 179.057 -1.327 19876 12713 1 19 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.141 -0.259 19876 12714 1 19 . 1 1 96 96 GLU CB C 96 28.838 28.838 29.145 -0.307 19876 12715 1 19 . 1 1 96 96 GLU H H 96 7.954 7.954 8.241 -0.287 19876 12716 1 19 . 1 1 97 97 LEU N N 97 124.427 124.427 121.676 2.751 19876 12717 1 19 . 1 1 97 97 LEU HA H 97 4.109 4.109 4.033 0.076 19876 12718 1 19 . 1 1 97 97 LEU C C 97 177.211 177.211 178.922 -1.711 19876 12719 1 19 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.506 -0.455 19876 12720 1 19 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.881 -0.110 19876 12721 1 19 . 1 1 97 97 LEU H H 97 7.825 7.825 8.691 -0.866 19876 12722 1 19 . 1 1 98 98 GLN N N 98 117.195 117.195 116.311 0.884 19876 12723 1 19 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.056 -0.066 19876 12724 1 19 . 1 1 98 98 GLN C C 98 177.762 177.762 178.764 -1.002 19876 12725 1 19 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.681 -0.058 19876 12726 1 19 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.884 0.117 19876 12727 1 19 . 1 1 98 98 GLN H H 98 8.481 8.481 8.900 -0.419 19876 12728 1 19 . 1 1 99 99 ARG N N 99 119.687 119.687 120.722 -1.035 19876 12729 1 19 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.224 -0.302 19876 12730 1 19 . 1 1 99 99 ARG C C 99 176.055 176.055 178.330 -2.275 19876 12731 1 19 . 1 1 99 99 ARG CA C 99 59.613 59.613 58.398 1.216 19876 12732 1 19 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.995 0.327 19876 12733 1 19 . 1 1 99 99 ARG H H 99 7.836 7.836 7.401 0.435 19876 12734 1 19 . 1 1 100 100 TRP N N 100 119.762 119.762 123.120 -3.358 19876 12735 1 19 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.714 -0.485 19876 12736 1 19 . 1 1 100 100 TRP C C 100 176.004 176.004 178.821 -2.817 19876 12737 1 19 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.420 0.585 19876 12738 1 19 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.135 -0.187 19876 12739 1 19 . 1 1 100 100 TRP H H 100 7.731 7.731 9.036 -1.305 19876 12740 1 19 . 1 1 101 101 GLN N N 101 115.464 115.464 117.057 -1.593 19876 12741 1 19 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.700 -0.215 19876 12742 1 19 . 1 1 101 101 GLN C C 101 177.498 177.498 178.527 -1.029 19876 12743 1 19 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.735 -0.571 19876 12744 1 19 . 1 1 101 101 GLN CB C 101 28.082 28.082 27.953 0.129 19876 12745 1 19 . 1 1 101 101 GLN H H 101 8.277 8.277 9.017 -0.740 19876 12746 1 19 . 1 1 102 102 LYS N N 102 119.856 119.856 120.091 -0.235 19876 12747 1 19 . 1 1 102 102 LYS HA H 102 3.912 3.912 3.889 0.023 19876 12748 1 19 . 1 1 102 102 LYS C C 102 178.364 178.364 179.133 -0.769 19876 12749 1 19 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.661 -0.482 19876 12750 1 19 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.190 -0.365 19876 12751 1 19 . 1 1 102 102 LYS H H 102 8.047 8.047 7.679 0.368 19876 12752 1 19 . 1 1 103 103 THR N N 103 121.217 121.217 115.739 5.478 19876 12753 1 19 . 1 1 103 103 THR HA H 103 3.658 3.658 3.846 -0.188 19876 12754 1 19 . 1 1 103 103 THR C C 103 174.266 174.266 176.252 -1.986 19876 12755 1 19 . 1 1 103 103 THR CA C 103 66.206 66.206 67.073 -0.868 19876 12756 1 19 . 1 1 103 103 THR CB C 103 67.515 67.515 68.685 -1.170 19876 12757 1 19 . 1 1 103 103 THR H H 103 8.816 8.816 8.501 0.315 19876 12758 1 19 . 1 1 104 104 LYS N N 104 122.265 122.265 121.003 1.262 19876 12759 1 19 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.277 -0.226 19876 12760 1 19 . 1 1 104 104 LYS C C 104 176.952 176.952 178.605 -1.653 19876 12761 1 19 . 1 1 104 104 LYS CA C 104 60.520 60.520 58.913 1.607 19876 12762 1 19 . 1 1 104 104 LYS CB C 104 30.340 30.340 30.858 -0.518 19876 12763 1 19 . 1 1 104 104 LYS H H 104 8.258 8.258 7.961 0.297 19876 12764 1 19 . 1 1 105 105 GLU N N 105 118.912 118.912 120.075 -1.163 19876 12765 1 19 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.732 -0.134 19876 12766 1 19 . 1 1 105 105 GLU C C 105 178.038 178.038 179.314 -1.276 19876 12767 1 19 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.517 0.000 19876 12768 1 19 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.109 -0.077 19876 12769 1 19 . 1 1 105 105 GLU H H 105 7.963 7.963 8.433 -0.470 19876 12770 1 19 . 1 1 106 106 ARG N N 106 120.201 120.201 119.326 0.875 19876 12771 1 19 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.971 -0.275 19876 12772 1 19 . 1 1 106 106 ARG C C 106 177.744 177.744 178.825 -1.081 19876 12773 1 19 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.080 0.914 19876 12774 1 19 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.972 0.816 19876 12775 1 19 . 1 1 106 106 ARG H H 106 7.940 7.940 8.404 -0.464 19876 12776 1 19 . 1 1 107 107 LEU N N 107 120.982 120.982 121.017 -0.035 19876 12777 1 19 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.890 -0.145 19876 12778 1 19 . 1 1 107 107 LEU C C 107 176.173 176.173 178.599 -2.426 19876 12779 1 19 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.234 -0.797 19876 12780 1 19 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.720 -0.851 19876 12781 1 19 . 1 1 107 107 LEU H H 107 8.242 8.242 8.102 0.140 19876 12782 1 19 . 1 1 108 108 PHE N N 108 117.793 117.793 118.498 -0.705 19876 12783 1 19 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.241 -0.239 19876 12784 1 19 . 1 1 108 108 PHE C C 108 177.654 177.654 177.655 -0.001 19876 12785 1 19 . 1 1 108 108 PHE CA C 108 61.189 61.189 62.160 -0.971 19876 12786 1 19 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.330 -1.545 19876 12787 1 19 . 1 1 108 108 PHE H H 108 8.772 8.772 8.882 -0.110 19876 12788 1 19 . 1 1 109 109 ARG N N 109 121.726 121.726 119.178 2.548 19876 12789 1 19 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.058 -0.052 19876 12790 1 19 . 1 1 109 109 ARG C C 109 177.785 177.785 178.969 -1.184 19876 12791 1 19 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.230 1.112 19876 12792 1 19 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.179 0.619 19876 12793 1 19 . 1 1 109 109 ARG H H 109 7.865 7.865 7.917 -0.052 19876 12794 1 19 . 1 1 110 110 LEU N N 110 121.486 121.486 119.602 1.884 19876 12795 1 19 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.977 0.117 19876 12796 1 19 . 1 1 110 110 LEU C C 110 178.537 178.537 179.130 -0.593 19876 12797 1 19 . 1 1 110 110 LEU CA C 110 57.841 57.841 58.404 -0.563 19876 12798 1 19 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.652 -0.831 19876 12799 1 19 . 1 1 110 110 LEU H H 110 7.338 7.338 7.708 -0.370 19876 12800 1 19 . 1 1 111 111 PHE N N 111 115.883 115.883 118.486 -2.603 19876 12801 1 19 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.138 0.178 19876 12802 1 19 . 1 1 111 111 PHE C C 111 175.369 175.369 177.788 -2.419 19876 12803 1 19 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.716 -1.637 19876 12804 1 19 . 1 1 111 111 PHE CB C 111 38.511 38.511 37.715 0.796 19876 12805 1 19 . 1 1 111 111 PHE H H 111 7.584 7.584 8.454 -0.870 19876 12806 1 19 . 1 1 112 112 SER N N 112 111.693 111.693 113.650 -1.957 19876 12807 1 19 . 1 1 112 112 SER HA H 112 4.329 4.329 4.374 -0.045 19876 12808 1 19 . 1 1 112 112 SER C C 112 173.353 173.353 175.033 -1.680 19876 12809 1 19 . 1 1 112 112 SER CA C 112 59.050 59.050 60.142 -1.093 19876 12810 1 19 . 1 1 112 112 SER CB C 112 63.841 63.841 63.739 0.102 19876 12811 1 19 . 1 1 112 112 SER H H 112 7.554 7.554 8.449 -0.895 19876 12812 1 19 . 1 1 113 113 GLY N N 113 109.665 109.665 108.343 1.322 19876 12813 1 19 . 1 1 113 113 GLY C C 113 173.407 173.407 174.875 -1.468 19876 12814 1 19 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.818 0.556 19876 12815 1 19 . 1 1 113 113 GLY H H 113 7.781 7.781 7.833 -0.052 19876 12816 1 19 . 1 1 114 114 GLU N N 114 121.028 121.028 121.587 -0.559 19876 12817 1 19 . 1 1 114 114 GLU HA H 114 4.002 4.002 3.916 0.086 19876 12818 1 19 . 1 1 114 114 GLU C C 114 175.971 175.971 178.229 -2.258 19876 12819 1 19 . 1 1 114 114 GLU CA C 114 58.310 58.310 59.602 -1.292 19876 12820 1 19 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.565 0.599 19876 12821 1 19 . 1 1 114 114 GLU H H 114 8.414 8.414 8.265 0.149 19876 12822 1 19 . 1 1 115 115 TYR N N 115 118.828 118.828 116.622 2.206 19876 12823 1 19 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.497 -0.185 19876 12824 1 19 . 1 1 115 115 TYR C C 115 175.248 175.248 178.148 -2.900 19876 12825 1 19 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.718 0.016 19876 12826 1 19 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.192 0.179 19876 12827 1 19 . 1 1 115 115 TYR H H 115 7.939 7.939 7.882 0.057 19876 12828 1 19 . 1 1 116 116 ILE N N 116 120.412 120.412 119.432 0.980 19876 12829 1 19 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.654 0.089 19876 12830 1 19 . 1 1 116 116 ILE C C 116 175.591 175.591 177.982 -2.391 19876 12831 1 19 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.069 -1.933 19876 12832 1 19 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.338 0.889 19876 12833 1 19 . 1 1 116 116 ILE H H 116 7.892 7.892 8.437 -0.545 19876 12834 1 19 . 1 1 117 117 SER N N 117 117.142 117.142 114.465 2.677 19876 12835 1 19 . 1 1 117 117 SER HA H 117 4.141 4.141 4.128 0.013 19876 12836 1 19 . 1 1 117 117 SER C C 117 174.795 174.795 176.851 -2.056 19876 12837 1 19 . 1 1 117 117 SER CA C 117 60.437 60.437 61.700 -1.263 19876 12838 1 19 . 1 1 117 117 SER CB C 117 62.987 62.987 62.672 0.315 19876 12839 1 19 . 1 1 117 117 SER H H 117 8.127 8.127 7.726 0.401 19876 12840 1 19 . 1 1 118 118 THR N N 118 115.779 115.779 117.177 -1.398 19876 12841 1 19 . 1 1 118 118 THR HA H 118 3.987 3.987 4.163 -0.176 19876 12842 1 19 . 1 1 118 118 THR C C 118 174.025 174.025 175.769 -1.744 19876 12843 1 19 . 1 1 118 118 THR CA C 118 64.026 64.026 64.660 -0.634 19876 12844 1 19 . 1 1 118 118 THR CB C 118 68.953 68.953 68.743 0.210 19876 12845 1 19 . 1 1 118 118 THR H H 118 7.872 7.872 7.517 0.355 19876 12846 1 19 . 1 1 119 119 LEU N N 119 122.845 122.845 120.706 2.139 19876 12847 1 19 . 1 1 119 119 LEU HA H 119 4.048 4.048 4.119 -0.071 19876 12848 1 19 . 1 1 119 119 LEU C C 119 176.246 176.246 178.193 -1.947 19876 12849 1 19 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.394 -1.313 19876 12850 1 19 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.392 -0.187 19876 12851 1 19 . 1 1 119 119 LEU H H 119 7.679 7.679 8.008 -0.329 19876 12852 1 19 . 1 1 120 120 MET N N 120 117.447 117.447 115.632 1.815 19876 12853 1 19 . 1 1 120 120 MET HA H 120 4.243 4.243 4.304 -0.061 19876 12854 1 19 . 1 1 120 120 MET C C 120 174.594 174.594 177.691 -3.097 19876 12855 1 19 . 1 1 120 120 MET CA C 120 55.470 55.470 57.497 -2.027 19876 12856 1 19 . 1 1 120 120 MET CB C 120 32.606 32.606 32.801 -0.195 19876 12857 1 19 . 1 1 120 120 MET H H 120 7.812 7.812 8.096 -0.284 19876 12858 1 19 . 1 1 121 121 LYS N N 121 121.578 121.578 118.953 2.625 19876 12859 1 19 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.315 -0.080 19876 12860 1 19 . 1 1 121 121 LYS C C 121 174.539 174.539 176.025 -1.486 19876 12861 1 19 . 1 1 121 121 LYS CA C 121 56.481 56.481 56.579 -0.098 19876 12862 1 19 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.425 -0.459 19876 12863 1 19 . 1 1 121 121 LYS H H 121 7.790 7.790 8.175 -0.385 19876 12864 1 20 . 1 1 2 2 ASP N N 2 122.949 122.949 122.352 0.597 19876 12865 1 20 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.867 -0.423 19876 12866 1 20 . 1 1 2 2 ASP C C 2 174.891 174.891 174.823 0.068 19876 12867 1 20 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.229 -0.607 19876 12868 1 20 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.511 -0.192 19876 12869 1 20 . 1 1 2 2 ASP H H 2 8.386 8.386 8.401 -0.015 19876 12870 1 20 . 1 1 3 3 GLU N N 3 119.296 119.296 122.646 -3.350 19876 12871 1 20 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.360 -0.496 19876 12872 1 20 . 1 1 3 3 GLU C C 3 175.006 175.006 175.606 -0.600 19876 12873 1 20 . 1 1 3 3 GLU CA C 3 58.073 58.073 55.663 2.410 19876 12874 1 20 . 1 1 3 3 GLU CB C 3 29.567 29.567 28.951 0.616 19876 12875 1 20 . 1 1 3 3 GLU H H 3 8.601 8.601 8.605 -0.004 19876 12876 1 20 . 1 1 4 4 TYR N N 4 118.038 118.038 121.313 -3.275 19876 12877 1 20 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.251 0.202 19876 12878 1 20 . 1 1 4 4 TYR C C 4 174.761 174.761 177.009 -2.248 19876 12879 1 20 . 1 1 4 4 TYR CA C 4 57.574 57.574 58.673 -1.099 19876 12880 1 20 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.081 0.914 19876 12881 1 20 . 1 1 4 4 TYR H H 4 8.049 8.049 8.060 -0.011 19876 12882 1 20 . 1 1 5 5 SER N N 5 118.519 118.519 114.938 3.581 19876 12883 1 20 . 1 1 5 5 SER HA H 5 4.444 4.444 4.529 -0.085 19876 12884 1 20 . 1 1 5 5 SER C C 5 171.907 171.907 172.944 -1.037 19876 12885 1 20 . 1 1 5 5 SER CA C 5 57.173 57.173 56.447 0.727 19876 12886 1 20 . 1 1 5 5 SER CB C 5 62.104 62.104 62.867 -0.763 19876 12887 1 20 . 1 1 5 5 SER H H 5 7.759 7.759 8.050 -0.291 19876 12888 1 20 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.433 0.011 19876 12889 1 20 . 1 1 6 6 PRO CA C 6 63.597 63.597 63.432 0.165 19876 12890 1 20 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.408 -0.360 19876 12891 1 20 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.103 -0.315 19876 12892 1 20 . 1 1 8 8 ARG CA C 8 59.500 59.500 60.122 -0.622 19876 12893 1 20 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.831 -0.250 19876 12894 1 20 . 1 1 9 9 HIS N N 9 118.064 118.064 117.781 0.283 19876 12895 1 20 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.276 0.006 19876 12896 1 20 . 1 1 9 9 HIS C C 9 176.264 176.264 177.737 -1.473 19876 12897 1 20 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.404 -0.361 19876 12898 1 20 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.606 0.783 19876 12899 1 20 . 1 1 9 9 HIS H H 9 7.291 7.291 8.560 -1.269 19876 12900 1 20 . 1 1 10 10 ASP N N 10 122.089 122.089 119.404 2.685 19876 12901 1 20 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.860 -0.277 19876 12902 1 20 . 1 1 10 10 ASP C C 10 177.261 177.261 178.820 -1.559 19876 12903 1 20 . 1 1 10 10 ASP CA C 10 57.872 57.872 57.551 0.321 19876 12904 1 20 . 1 1 10 10 ASP CB C 10 40.569 40.569 39.898 0.671 19876 12905 1 20 . 1 1 10 10 ASP H H 10 8.221 8.221 8.915 -0.694 19876 12906 1 20 . 1 1 11 11 VAL N N 11 119.318 119.318 121.776 -2.458 19876 12907 1 20 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.878 -0.391 19876 12908 1 20 . 1 1 11 11 VAL C C 11 175.661 175.661 177.839 -2.178 19876 12909 1 20 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.802 0.077 19876 12910 1 20 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.641 -0.215 19876 12911 1 20 . 1 1 11 11 VAL H H 11 8.850 8.850 7.540 1.310 19876 12912 1 20 . 1 1 12 12 ALA N N 12 121.749 121.749 122.875 -1.126 19876 12913 1 20 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.817 -0.048 19876 12914 1 20 . 1 1 12 12 ALA C C 12 179.484 179.484 179.458 0.026 19876 12915 1 20 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.651 -0.383 19876 12916 1 20 . 1 1 12 12 ALA CB C 12 17.742 17.742 17.995 -0.253 19876 12917 1 20 . 1 1 12 12 ALA H H 12 7.676 7.676 8.867 -1.191 19876 12918 1 20 . 1 1 13 13 GLN N N 13 119.544 119.544 118.241 1.303 19876 12919 1 20 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.737 0.270 19876 12920 1 20 . 1 1 13 13 GLN C C 13 176.075 176.075 178.430 -2.355 19876 12921 1 20 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.202 -0.970 19876 12922 1 20 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.155 -0.406 19876 12923 1 20 . 1 1 13 13 GLN H H 13 8.151 8.151 8.526 -0.375 19876 12924 1 20 . 1 1 14 14 LEU N N 14 121.127 121.127 121.052 0.075 19876 12925 1 20 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.136 -0.580 19876 12926 1 20 . 1 1 14 14 LEU C C 14 176.935 176.935 178.492 -1.557 19876 12927 1 20 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.353 -0.629 19876 12928 1 20 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.368 0.319 19876 12929 1 20 . 1 1 14 14 LEU H H 14 7.889 7.889 8.632 -0.743 19876 12930 1 20 . 1 1 15 15 LYS N N 15 120.458 120.458 117.806 2.652 19876 12931 1 20 . 1 1 15 15 LYS HA H 15 2.662 2.662 3.024 -0.362 19876 12932 1 20 . 1 1 15 15 LYS C C 15 176.022 176.022 178.563 -2.541 19876 12933 1 20 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.751 1.287 19876 12934 1 20 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.143 1.068 19876 12935 1 20 . 1 1 15 15 LYS H H 15 8.174 8.174 7.765 0.409 19876 12936 1 20 . 1 1 16 16 PHE N N 16 119.257 119.257 122.459 -3.202 19876 12937 1 20 . 1 1 16 16 PHE HA H 16 4.187 4.187 3.939 0.248 19876 12938 1 20 . 1 1 16 16 PHE C C 16 177.917 177.917 177.334 0.583 19876 12939 1 20 . 1 1 16 16 PHE CA C 16 60.330 60.330 61.333 -1.003 19876 12940 1 20 . 1 1 16 16 PHE CB C 16 38.494 38.494 39.017 -0.523 19876 12941 1 20 . 1 1 16 16 PHE H H 16 7.855 7.855 8.656 -0.801 19876 12942 1 20 . 1 1 17 17 LEU N N 17 121.489 121.489 119.921 1.568 19876 12943 1 20 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.888 -0.290 19876 12944 1 20 . 1 1 17 17 LEU C C 17 177.988 177.988 178.974 -0.986 19876 12945 1 20 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.303 -0.341 19876 12946 1 20 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.349 1.349 19876 12947 1 20 . 1 1 17 17 LEU H H 17 8.560 8.560 8.817 -0.257 19876 12948 1 20 . 1 1 18 18 CYS N N 18 116.216 116.216 118.332 -2.116 19876 12949 1 20 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.103 0.132 19876 12950 1 20 . 1 1 18 18 CYS C C 18 176.987 176.987 177.324 -0.337 19876 12951 1 20 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.021 2.553 19876 12952 1 20 . 1 1 18 18 CYS CB C 18 27.304 27.304 25.443 1.861 19876 12953 1 20 . 1 1 18 18 CYS H H 18 8.194 8.194 7.892 0.302 19876 12954 1 20 . 1 1 19 19 GLU N N 19 123.947 123.947 120.371 3.576 19876 12955 1 20 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.098 -0.213 19876 12956 1 20 . 1 1 19 19 GLU C C 19 176.436 176.436 179.251 -2.815 19876 12957 1 20 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.666 0.220 19876 12958 1 20 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.179 0.102 19876 12959 1 20 . 1 1 19 19 GLU H H 19 8.842 8.842 8.828 0.014 19876 12960 1 20 . 1 1 20 20 SER N N 20 116.500 116.500 116.179 0.321 19876 12961 1 20 . 1 1 20 20 SER HA H 20 4.056 4.056 3.981 0.075 19876 12962 1 20 . 1 1 20 20 SER C C 20 174.835 174.835 176.773 -1.938 19876 12963 1 20 . 1 1 20 20 SER CA C 20 61.729 61.729 61.858 -0.128 19876 12964 1 20 . 1 1 20 20 SER CB C 20 62.360 62.360 62.814 -0.454 19876 12965 1 20 . 1 1 20 20 SER H H 20 8.198 8.198 8.329 -0.131 19876 12966 1 20 . 1 1 21 21 LEU N N 21 121.186 121.186 122.954 -1.768 19876 12967 1 20 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.098 -0.187 19876 12968 1 20 . 1 1 21 21 LEU C C 21 175.905 175.905 179.136 -3.231 19876 12969 1 20 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.029 -0.076 19876 12970 1 20 . 1 1 21 21 LEU CB C 21 41.609 41.609 41.945 -0.336 19876 12971 1 20 . 1 1 21 21 LEU H H 21 7.970 7.970 8.473 -0.503 19876 12972 1 20 . 1 1 22 22 TYR N N 22 119.690 119.690 120.484 -0.794 19876 12973 1 20 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.597 -0.279 19876 12974 1 20 . 1 1 22 22 TYR C C 22 175.453 175.453 178.327 -2.874 19876 12975 1 20 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.116 2.124 19876 12976 1 20 . 1 1 22 22 TYR CB C 22 37.143 37.143 38.006 -0.863 19876 12977 1 20 . 1 1 22 22 TYR H H 22 7.473 7.473 8.946 -1.473 19876 12978 1 20 . 1 1 23 23 ASP N N 23 118.291 118.291 119.316 -1.025 19876 12979 1 20 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.421 -0.374 19876 12980 1 20 . 1 1 23 23 ASP C C 23 178.796 178.796 178.577 0.219 19876 12981 1 20 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.961 -0.677 19876 12982 1 20 . 1 1 23 23 ASP CB C 23 39.883 39.883 41.209 -1.326 19876 12983 1 20 . 1 1 23 23 ASP H H 23 8.249 8.249 8.381 -0.132 19876 12984 1 20 . 1 1 24 24 GLU N N 24 120.605 120.605 119.467 1.138 19876 12985 1 20 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.998 -0.067 19876 12986 1 20 . 1 1 24 24 GLU C C 24 178.457 178.457 179.366 -0.909 19876 12987 1 20 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.208 -0.647 19876 12988 1 20 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.129 -0.207 19876 12989 1 20 . 1 1 24 24 GLU H H 24 8.347 8.347 8.754 -0.407 19876 12990 1 20 . 1 1 25 25 GLY N N 25 111.777 111.777 108.931 2.846 19876 12991 1 20 . 1 1 25 25 GLY C C 25 173.906 173.906 176.290 -2.384 19876 12992 1 20 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.351 0.117 19876 12993 1 20 . 1 1 25 25 GLY H H 25 8.701 8.701 8.726 -0.024 19876 12994 1 20 . 1 1 26 26 ILE N N 26 122.263 122.263 123.762 -1.499 19876 12995 1 20 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.803 -0.046 19876 12996 1 20 . 1 1 26 26 ILE C C 26 178.116 178.116 178.186 -0.070 19876 12997 1 20 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.541 -1.310 19876 12998 1 20 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.958 -1.270 19876 12999 1 20 . 1 1 26 26 ILE H H 26 8.717 8.717 7.723 0.994 19876 13000 1 20 . 1 1 27 27 ALA N N 27 122.092 122.092 122.067 0.025 19876 13001 1 20 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.029 -0.069 19876 13002 1 20 . 1 1 27 27 ALA C C 27 178.428 178.428 179.125 -0.697 19876 13003 1 20 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.342 -0.849 19876 13004 1 20 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.234 -0.184 19876 13005 1 20 . 1 1 27 27 ALA H H 27 7.672 7.672 8.077 -0.405 19876 13006 1 20 . 1 1 28 28 THR N N 28 115.031 115.031 113.546 1.485 19876 13007 1 20 . 1 1 28 28 THR HA H 28 3.734 3.734 4.265 -0.531 19876 13008 1 20 . 1 1 28 28 THR C C 28 174.403 174.403 177.262 -2.859 19876 13009 1 20 . 1 1 28 28 THR CA C 28 65.750 65.750 65.534 0.216 19876 13010 1 20 . 1 1 28 28 THR CB C 28 68.530 68.530 69.272 -0.742 19876 13011 1 20 . 1 1 28 28 THR H H 28 7.554 7.554 7.806 -0.252 19876 13012 1 20 . 1 1 29 29 LEU N N 29 121.356 121.356 121.129 0.227 19876 13013 1 20 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.096 -0.286 19876 13014 1 20 . 1 1 29 29 LEU C C 29 176.694 176.694 178.402 -1.708 19876 13015 1 20 . 1 1 29 29 LEU CA C 29 56.494 56.494 57.018 -0.524 19876 13016 1 20 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.554 0.625 19876 13017 1 20 . 1 1 29 29 LEU H H 29 7.580 7.580 8.875 -1.295 19876 13018 1 20 . 1 1 30 30 GLY CA C 30 44.903 44.903 44.536 0.367 19876 13019 1 20 . 1 1 31 31 ASP N N 31 119.983 119.983 122.579 -2.596 19876 13020 1 20 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.564 -0.001 19876 13021 1 20 . 1 1 31 31 ASP C C 31 175.609 175.609 175.459 0.150 19876 13022 1 20 . 1 1 31 31 ASP CA C 31 53.883 53.883 55.049 -1.166 19876 13023 1 20 . 1 1 31 31 ASP CB C 31 41.558 41.558 40.399 1.159 19876 13024 1 20 . 1 1 31 31 ASP H H 31 8.017 8.017 7.651 0.366 19876 13025 1 20 . 1 1 32 32 SER N N 32 118.027 118.027 119.372 -1.345 19876 13026 1 20 . 1 1 32 32 SER HA H 32 4.191 4.191 4.664 -0.473 19876 13027 1 20 . 1 1 32 32 SER C C 32 178.747 178.747 174.505 4.242 19876 13028 1 20 . 1 1 32 32 SER CA C 32 59.247 59.247 57.437 1.810 19876 13029 1 20 . 1 1 32 32 SER CB C 32 63.224 63.224 63.268 -0.044 19876 13030 1 20 . 1 1 32 32 SER H H 32 8.284 8.284 8.087 0.197 19876 13031 1 20 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.346 -0.001 19876 13032 1 20 . 1 1 33 33 HIS CA C 33 57.029 57.029 58.770 -1.741 19876 13033 1 20 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.783 -0.224 19876 13034 1 20 . 1 1 34 34 HIS N N 34 117.885 117.885 116.845 1.040 19876 13035 1 20 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.118 0.366 19876 13036 1 20 . 1 1 34 34 HIS CA C 34 55.947 55.947 56.250 -0.303 19876 13037 1 20 . 1 1 34 34 HIS CB C 34 29.767 29.767 29.624 0.143 19876 13038 1 20 . 1 1 34 34 HIS H H 34 7.896 7.896 8.519 -0.623 19876 13039 1 20 . 1 1 35 35 GLY N N 35 108.681 108.681 103.612 5.069 19876 13040 1 20 . 1 1 35 35 GLY C C 35 172.466 172.466 174.260 -1.794 19876 13041 1 20 . 1 1 35 35 GLY CA C 35 45.299 45.299 44.607 0.692 19876 13042 1 20 . 1 1 35 35 GLY H H 35 7.864 7.864 8.066 -0.202 19876 13043 1 20 . 1 1 36 36 TRP N N 36 120.973 120.973 119.595 1.378 19876 13044 1 20 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.705 -0.211 19876 13045 1 20 . 1 1 36 36 TRP C C 36 174.594 174.594 176.942 -2.348 19876 13046 1 20 . 1 1 36 36 TRP CA C 36 57.866 57.866 55.825 2.041 19876 13047 1 20 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.085 -0.499 19876 13048 1 20 . 1 1 36 36 TRP H H 36 7.809 7.809 7.522 0.287 19876 13049 1 20 . 1 1 37 37 VAL N N 37 122.778 122.778 115.521 7.257 19876 13050 1 20 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.253 -0.466 19876 13051 1 20 . 1 1 37 37 VAL C C 37 173.396 173.396 175.253 -1.857 19876 13052 1 20 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.856 0.428 19876 13053 1 20 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.495 0.039 19876 13054 1 20 . 1 1 37 37 VAL H H 37 7.712 7.712 8.200 -0.488 19876 13055 1 20 . 1 1 38 38 ASN N N 38 121.869 121.869 120.678 1.191 19876 13056 1 20 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.684 -0.449 19876 13057 1 20 . 1 1 38 38 ASN C C 38 172.186 172.186 174.337 -2.151 19876 13058 1 20 . 1 1 38 38 ASN CA C 38 54.070 54.070 53.177 0.893 19876 13059 1 20 . 1 1 38 38 ASN CB C 38 40.629 40.629 39.261 1.369 19876 13060 1 20 . 1 1 38 38 ASN H H 38 7.768 7.768 8.561 -0.793 19876 13061 1 20 . 1 1 39 39 ASP N N 39 123.332 123.332 128.966 -5.634 19876 13062 1 20 . 1 1 39 39 ASP HA H 39 4.859 4.859 5.055 -0.196 19876 13063 1 20 . 1 1 39 39 ASP C C 39 173.301 173.301 175.641 -2.340 19876 13064 1 20 . 1 1 39 39 ASP CA C 39 49.860 49.860 52.989 -3.129 19876 13065 1 20 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.231 -0.523 19876 13066 1 20 . 1 1 39 39 ASP H H 39 8.300 8.300 8.602 -0.302 19876 13067 1 20 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.728 -0.572 19876 13068 1 20 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.345 -0.411 19876 13069 1 20 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.091 0.801 19876 13070 1 20 . 1 1 41 41 THR N N 41 107.824 107.824 104.812 3.012 19876 13071 1 20 . 1 1 41 41 THR HA H 41 4.191 4.191 4.227 -0.036 19876 13072 1 20 . 1 1 41 41 THR C C 41 173.405 173.405 174.537 -1.132 19876 13073 1 20 . 1 1 41 41 THR CA C 41 61.283 61.283 61.657 -0.374 19876 13074 1 20 . 1 1 41 41 THR CB C 41 69.351 69.351 68.814 0.537 19876 13075 1 20 . 1 1 41 41 THR H H 41 7.923 7.923 7.704 0.219 19876 13076 1 20 . 1 1 42 42 SER N N 42 118.745 118.745 118.554 0.191 19876 13077 1 20 . 1 1 42 42 SER HA H 42 4.187 4.187 4.401 -0.214 19876 13078 1 20 . 1 1 42 42 SER C C 42 172.750 172.750 175.776 -3.026 19876 13079 1 20 . 1 1 42 42 SER CA C 42 58.320 58.320 58.312 0.008 19876 13080 1 20 . 1 1 42 42 SER CB C 42 64.569 64.569 65.055 -0.485 19876 13081 1 20 . 1 1 42 42 SER H H 42 7.705 7.705 7.910 -0.205 19876 13082 1 20 . 1 1 43 43 ALA N N 43 124.591 124.591 128.826 -4.235 19876 13083 1 20 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.975 -0.015 19876 13084 1 20 . 1 1 43 43 ALA C C 43 178.795 178.795 179.194 -0.399 19876 13085 1 20 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.468 -0.332 19876 13086 1 20 . 1 1 43 43 ALA CB C 43 18.144 18.144 17.974 0.169 19876 13087 1 20 . 1 1 43 43 ALA H H 43 8.540 8.540 8.809 -0.269 19876 13088 1 20 . 1 1 44 44 VAL N N 44 115.734 115.734 117.018 -1.284 19876 13089 1 20 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.475 0.244 19876 13090 1 20 . 1 1 44 44 VAL C C 44 176.057 176.057 177.899 -1.842 19876 13091 1 20 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.885 -1.183 19876 13092 1 20 . 1 1 44 44 VAL CB C 44 31.735 31.735 30.642 1.093 19876 13093 1 20 . 1 1 44 44 VAL H H 44 7.836 7.836 8.167 -0.331 19876 13094 1 20 . 1 1 45 45 ASN N N 45 123.038 123.038 118.621 4.417 19876 13095 1 20 . 1 1 45 45 ASN HA H 45 4.044 4.044 4.067 -0.023 19876 13096 1 20 . 1 1 45 45 ASN C C 45 176.022 176.022 177.648 -1.626 19876 13097 1 20 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.184 0.651 19876 13098 1 20 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.168 -0.447 19876 13099 1 20 . 1 1 45 45 ASN H H 45 7.709 7.709 7.716 -0.007 19876 13100 1 20 . 1 1 46 46 LEU N N 46 122.005 122.005 120.678 1.327 19876 13101 1 20 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.860 0.066 19876 13102 1 20 . 1 1 46 46 LEU C C 46 178.192 178.192 179.280 -1.088 19876 13103 1 20 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.287 -0.244 19876 13104 1 20 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.586 -0.756 19876 13105 1 20 . 1 1 46 46 LEU H H 46 8.239 8.239 8.683 -0.444 19876 13106 1 20 . 1 1 47 47 GLN N N 47 119.394 119.394 118.355 1.039 19876 13107 1 20 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.900 0.071 19876 13108 1 20 . 1 1 47 47 GLN C C 47 177.762 177.762 178.772 -1.010 19876 13109 1 20 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.187 -0.496 19876 13110 1 20 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.593 -0.466 19876 13111 1 20 . 1 1 47 47 GLN H H 47 7.825 7.825 8.449 -0.624 19876 13112 1 20 . 1 1 48 48 LEU N N 48 122.808 122.808 119.943 2.865 19876 13113 1 20 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.708 0.035 19876 13114 1 20 . 1 1 48 48 LEU C C 48 177.366 177.366 178.895 -1.529 19876 13115 1 20 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.474 -0.201 19876 13116 1 20 . 1 1 48 48 LEU CB C 48 41.459 41.459 40.575 0.884 19876 13117 1 20 . 1 1 48 48 LEU H H 48 7.625 7.625 8.824 -1.199 19876 13118 1 20 . 1 1 49 49 ASN N N 49 117.784 117.784 118.196 -0.412 19876 13119 1 20 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.411 -0.125 19876 13120 1 20 . 1 1 49 49 ASN C C 49 176.893 176.893 177.512 -0.619 19876 13121 1 20 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.289 -1.153 19876 13122 1 20 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.262 -0.652 19876 13123 1 20 . 1 1 49 49 ASN H H 49 7.797 7.797 8.454 -0.657 19876 13124 1 20 . 1 1 50 50 ASP N N 50 120.887 120.887 121.395 -0.508 19876 13125 1 20 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.378 -0.074 19876 13126 1 20 . 1 1 50 50 ASP C C 50 177.452 177.452 178.800 -1.348 19876 13127 1 20 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.606 -0.219 19876 13128 1 20 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.039 -0.450 19876 13129 1 20 . 1 1 50 50 ASP H H 50 7.868 7.868 8.536 -0.668 19876 13130 1 20 . 1 1 51 51 LEU N N 51 123.117 123.117 118.978 4.139 19876 13131 1 20 . 1 1 51 51 LEU HA H 51 4.158 4.158 4.420 -0.262 19876 13132 1 20 . 1 1 51 51 LEU C C 51 177.345 177.345 179.013 -1.668 19876 13133 1 20 . 1 1 51 51 LEU CA C 51 57.964 57.964 57.996 -0.032 19876 13134 1 20 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.222 -0.221 19876 13135 1 20 . 1 1 51 51 LEU H H 51 7.627 7.627 8.617 -0.990 19876 13136 1 20 . 1 1 52 52 ILE N N 52 120.007 120.007 121.370 -1.363 19876 13137 1 20 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.557 -0.190 19876 13138 1 20 . 1 1 52 52 ILE C C 52 176.246 176.246 178.049 -1.803 19876 13139 1 20 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.544 0.476 19876 13140 1 20 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.502 0.680 19876 13141 1 20 . 1 1 52 52 ILE H H 52 8.309 8.309 8.793 -0.484 19876 13142 1 20 . 1 1 53 53 GLU N N 53 117.619 117.619 119.095 -1.476 19876 13143 1 20 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.939 -0.008 19876 13144 1 20 . 1 1 53 53 GLU C C 53 178.193 178.193 178.761 -0.568 19876 13145 1 20 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.932 -0.479 19876 13146 1 20 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.456 -0.108 19876 13147 1 20 . 1 1 53 53 GLU H H 53 7.965 7.965 8.326 -0.361 19876 13148 1 20 . 1 1 54 54 HIS N N 54 120.335 120.335 120.866 -0.531 19876 13149 1 20 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.305 0.007 19876 13150 1 20 . 1 1 54 54 HIS C C 54 177.331 177.331 177.915 -0.584 19876 13151 1 20 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.074 0.488 19876 13152 1 20 . 1 1 54 54 HIS CB C 54 30.197 30.197 30.204 -0.007 19876 13153 1 20 . 1 1 54 54 HIS H H 54 8.117 8.117 8.563 -0.446 19876 13154 1 20 . 1 1 55 55 ILE N N 55 120.694 120.694 119.383 1.311 19876 13155 1 20 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.629 -0.190 19876 13156 1 20 . 1 1 55 55 ILE C C 55 176.281 176.281 177.761 -1.480 19876 13157 1 20 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.325 0.626 19876 13158 1 20 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.713 -0.684 19876 13159 1 20 . 1 1 55 55 ILE H H 55 8.655 8.655 8.927 -0.272 19876 13160 1 20 . 1 1 56 56 ALA N N 56 123.896 123.896 123.401 0.495 19876 13161 1 20 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.916 -0.155 19876 13162 1 20 . 1 1 56 56 ALA C C 56 179.581 179.581 179.640 -0.059 19876 13163 1 20 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.634 -0.022 19876 13164 1 20 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.097 -0.448 19876 13165 1 20 . 1 1 56 56 ALA H H 56 9.063 9.063 8.535 0.528 19876 13166 1 20 . 1 1 57 57 SER N N 57 114.014 114.014 116.394 -2.380 19876 13167 1 20 . 1 1 57 57 SER HA H 57 4.165 4.165 4.225 -0.060 19876 13168 1 20 . 1 1 57 57 SER C C 57 175.540 175.540 176.641 -1.101 19876 13169 1 20 . 1 1 57 57 SER CA C 57 61.491 61.491 62.238 -0.747 19876 13170 1 20 . 1 1 57 57 SER CB C 57 62.640 62.640 63.138 -0.498 19876 13171 1 20 . 1 1 57 57 SER H H 57 7.918 7.918 8.727 -0.809 19876 13172 1 20 . 1 1 58 58 PHE N N 58 125.013 125.013 124.254 0.759 19876 13173 1 20 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.358 -0.340 19876 13174 1 20 . 1 1 58 58 PHE C C 58 177.343 177.343 177.631 -0.288 19876 13175 1 20 . 1 1 58 58 PHE CA C 58 61.676 61.676 61.005 0.671 19876 13176 1 20 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.940 0.244 19876 13177 1 20 . 1 1 58 58 PHE H H 58 8.024 8.024 8.808 -0.784 19876 13178 1 20 . 1 1 59 59 VAL N N 59 120.373 120.373 120.028 0.345 19876 13179 1 20 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.319 0.338 19876 13180 1 20 . 1 1 59 59 VAL C C 59 175.403 175.403 177.883 -2.480 19876 13181 1 20 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.468 -1.366 19876 13182 1 20 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.607 -0.169 19876 13183 1 20 . 1 1 59 59 VAL H H 59 9.263 9.263 9.028 0.235 19876 13184 1 20 . 1 1 60 60 MET N N 60 120.360 120.360 119.697 0.663 19876 13185 1 20 . 1 1 60 60 MET HA H 60 4.002 4.002 3.867 0.135 19876 13186 1 20 . 1 1 60 60 MET C C 60 177.417 177.417 178.509 -1.092 19876 13187 1 20 . 1 1 60 60 MET CA C 60 59.396 59.396 60.125 -0.729 19876 13188 1 20 . 1 1 60 60 MET CB C 60 31.986 31.986 32.585 -0.599 19876 13189 1 20 . 1 1 60 60 MET H H 60 7.826 7.826 8.700 -0.874 19876 13190 1 20 . 1 1 61 61 SER N N 61 113.289 113.289 114.857 -1.568 19876 13191 1 20 . 1 1 61 61 SER HA H 61 4.035 4.035 4.096 -0.062 19876 13192 1 20 . 1 1 61 61 SER CA C 61 61.619 61.619 61.622 -0.003 19876 13193 1 20 . 1 1 61 61 SER CB C 61 62.600 62.600 63.001 -0.401 19876 13194 1 20 . 1 1 61 61 SER H H 61 7.230 7.230 8.307 -1.077 19876 13195 1 20 . 1 1 62 62 PHE N N 62 126.395 126.395 123.882 2.513 19876 13196 1 20 . 1 1 62 62 PHE HA H 62 3.641 3.641 3.949 -0.308 19876 13197 1 20 . 1 1 62 62 PHE CA C 62 61.944 61.944 62.092 -0.148 19876 13198 1 20 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.848 1.614 19876 13199 1 20 . 1 1 62 62 PHE H H 62 8.681 8.681 8.600 0.081 19876 13200 1 20 . 1 1 63 63 LYS N N 63 116.676 116.676 119.673 -2.997 19876 13201 1 20 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.402 -0.370 19876 13202 1 20 . 1 1 63 63 LYS C C 63 177.262 177.262 178.116 -0.854 19876 13203 1 20 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.964 -0.276 19876 13204 1 20 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.800 1.049 19876 13205 1 20 . 1 1 63 63 LYS H H 63 8.585 8.585 8.816 -0.231 19876 13206 1 20 . 1 1 64 64 ILE N N 64 117.020 117.020 117.920 -0.900 19876 13207 1 20 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.929 -0.406 19876 13208 1 20 . 1 1 64 64 ILE C C 64 176.151 176.151 177.115 -0.964 19876 13209 1 20 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.566 -0.572 19876 13210 1 20 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.776 0.401 19876 13211 1 20 . 1 1 64 64 ILE H H 64 6.751 6.751 7.390 -0.639 19876 13212 1 20 . 1 1 65 65 LYS N N 65 120.165 120.165 119.055 1.110 19876 13213 1 20 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.189 -0.750 19876 13214 1 20 . 1 1 65 65 LYS C C 65 175.133 175.133 176.401 -1.268 19876 13215 1 20 . 1 1 65 65 LYS CA C 65 58.955 58.955 57.200 1.755 19876 13216 1 20 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.805 -0.848 19876 13217 1 20 . 1 1 65 65 LYS H H 65 7.058 7.058 7.655 -0.597 19876 13218 1 20 . 1 1 66 66 TYR N N 66 115.421 115.421 121.381 -5.960 19876 13219 1 20 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.899 -0.011 19876 13220 1 20 . 1 1 66 66 TYR C C 66 173.061 173.061 174.258 -1.197 19876 13221 1 20 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.237 -0.708 19876 13222 1 20 . 1 1 66 66 TYR CB C 66 36.669 36.669 38.944 -2.275 19876 13223 1 20 . 1 1 66 66 TYR H H 66 7.784 7.784 8.441 -0.657 19876 13224 1 20 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.421 -0.064 19876 13225 1 20 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.430 0.080 19876 13226 1 20 . 1 1 67 67 PRO CB C 67 31.905 31.905 31.920 -0.015 19876 13227 1 20 . 1 1 68 68 ASP N N 68 117.110 117.110 117.403 -0.293 19876 13228 1 20 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.431 0.296 19876 13229 1 20 . 1 1 68 68 ASP C C 68 175.024 175.024 176.824 -1.800 19876 13230 1 20 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.286 -0.543 19876 13231 1 20 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.121 0.373 19876 13232 1 20 . 1 1 68 68 ASP H H 68 8.548 8.548 8.235 0.313 19876 13233 1 20 . 1 1 69 69 ASP N N 69 122.994 122.994 118.311 4.683 19876 13234 1 20 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.643 0.348 19876 13235 1 20 . 1 1 69 69 ASP C C 69 174.782 174.782 178.060 -3.278 19876 13236 1 20 . 1 1 69 69 ASP CA C 69 54.315 54.315 54.490 -0.175 19876 13237 1 20 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.402 -0.239 19876 13238 1 20 . 1 1 69 69 ASP H H 69 7.545 7.545 7.873 -0.328 19876 13239 1 20 . 1 1 70 70 GLY N N 70 107.712 107.712 109.316 -1.604 19876 13240 1 20 . 1 1 70 70 GLY C C 70 173.987 173.987 175.698 -1.711 19876 13241 1 20 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.777 -0.445 19876 13242 1 20 . 1 1 70 70 GLY H H 70 7.879 7.879 7.952 -0.073 19876 13243 1 20 . 1 1 71 71 ASP N N 71 119.785 119.785 120.535 -0.750 19876 13244 1 20 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.486 -0.291 19876 13245 1 20 . 1 1 71 71 ASP C C 71 177.114 177.114 177.769 -0.655 19876 13246 1 20 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.111 -0.059 19876 13247 1 20 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.670 -1.325 19876 13248 1 20 . 1 1 71 71 ASP H H 71 8.447 8.447 8.051 0.396 19876 13249 1 20 . 1 1 72 72 LEU N N 72 119.776 119.776 121.067 -1.291 19876 13250 1 20 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.953 -0.086 19876 13251 1 20 . 1 1 72 72 LEU C C 72 176.531 176.531 178.210 -1.679 19876 13252 1 20 . 1 1 72 72 LEU CA C 72 57.452 57.452 58.173 -0.721 19876 13253 1 20 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.912 -0.177 19876 13254 1 20 . 1 1 72 72 LEU H H 72 7.562 7.562 8.006 -0.444 19876 13255 1 20 . 1 1 73 73 SER N N 73 113.964 113.964 115.338 -1.374 19876 13256 1 20 . 1 1 73 73 SER HA H 73 3.605 3.605 3.987 -0.382 19876 13257 1 20 . 1 1 73 73 SER C C 73 174.610 174.610 176.442 -1.832 19876 13258 1 20 . 1 1 73 73 SER CA C 73 62.161 62.161 62.608 -0.446 19876 13259 1 20 . 1 1 73 73 SER CB C 73 62.158 62.158 63.054 -0.896 19876 13260 1 20 . 1 1 73 73 SER H H 73 8.050 8.050 8.941 -0.891 19876 13261 1 20 . 1 1 74 74 GLU N N 74 119.742 119.742 122.201 -2.459 19876 13262 1 20 . 1 1 74 74 GLU HA H 74 4.071 4.071 3.993 0.078 19876 13263 1 20 . 1 1 74 74 GLU C C 74 178.089 178.089 179.039 -0.950 19876 13264 1 20 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.640 -0.538 19876 13265 1 20 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.550 -0.337 19876 13266 1 20 . 1 1 74 74 GLU H H 74 8.623 8.623 7.888 0.735 19876 13267 1 20 . 1 1 75 75 LEU N N 75 122.325 122.325 119.979 2.346 19876 13268 1 20 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.159 0.084 19876 13269 1 20 . 1 1 75 75 LEU C C 75 177.962 177.962 179.096 -1.134 19876 13270 1 20 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.856 -0.476 19876 13271 1 20 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.260 0.144 19876 13272 1 20 . 1 1 75 75 LEU H H 75 7.255 7.255 8.245 -0.990 19876 13273 1 20 . 1 1 76 76 VAL N N 76 119.514 119.514 120.469 -0.955 19876 13274 1 20 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.630 -0.043 19876 13275 1 20 . 1 1 76 76 VAL C C 76 176.909 176.909 178.270 -1.361 19876 13276 1 20 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.199 0.061 19876 13277 1 20 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.034 -0.091 19876 13278 1 20 . 1 1 76 76 VAL H H 76 8.235 8.235 8.950 -0.715 19876 13279 1 20 . 1 1 77 77 GLU N N 77 118.692 118.692 119.596 -0.904 19876 13280 1 20 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.884 -0.145 19876 13281 1 20 . 1 1 77 77 GLU C C 77 177.692 177.692 179.146 -1.454 19876 13282 1 20 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.228 0.779 19876 13283 1 20 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.042 0.115 19876 13284 1 20 . 1 1 77 77 GLU H H 77 8.204 8.204 9.068 -0.864 19876 13285 1 20 . 1 1 78 78 GLU N N 78 121.945 121.945 119.733 2.212 19876 13286 1 20 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.059 -0.031 19876 13287 1 20 . 1 1 78 78 GLU C C 78 176.559 176.559 178.943 -2.384 19876 13288 1 20 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.876 -0.302 19876 13289 1 20 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.654 0.231 19876 13290 1 20 . 1 1 78 78 GLU H H 78 8.058 8.058 8.060 -0.002 19876 13291 1 20 . 1 1 79 79 TYR N N 79 119.945 119.945 121.964 -2.019 19876 13292 1 20 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.174 0.226 19876 13293 1 20 . 1 1 79 79 TYR C C 79 178.365 178.365 178.325 0.040 19876 13294 1 20 . 1 1 79 79 TYR CA C 79 60.101 60.101 62.042 -1.942 19876 13295 1 20 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.352 0.286 19876 13296 1 20 . 1 1 79 79 TYR H H 79 8.347 8.347 8.729 -0.382 19876 13297 1 20 . 1 1 80 80 LEU N N 80 123.586 123.586 119.436 4.150 19876 13298 1 20 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.775 -0.126 19876 13299 1 20 . 1 1 80 80 LEU C C 80 177.594 177.594 179.170 -1.576 19876 13300 1 20 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.517 0.162 19876 13301 1 20 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.153 -0.511 19876 13302 1 20 . 1 1 80 80 LEU H H 80 9.113 9.113 9.058 0.055 19876 13303 1 20 . 1 1 81 81 ASP N N 81 121.522 121.522 119.337 2.185 19876 13304 1 20 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.363 0.043 19876 13305 1 20 . 1 1 81 81 ASP C C 81 178.021 178.021 178.824 -0.803 19876 13306 1 20 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.285 -0.596 19876 13307 1 20 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.790 -0.148 19876 13308 1 20 . 1 1 81 81 ASP H H 81 8.228 8.228 8.675 -0.447 19876 13309 1 20 . 1 1 82 82 ASP N N 82 120.931 120.931 120.254 0.677 19876 13310 1 20 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.546 -0.124 19876 13311 1 20 . 1 1 82 82 ASP C C 82 178.342 178.342 178.763 -0.421 19876 13312 1 20 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.280 0.627 19876 13313 1 20 . 1 1 82 82 ASP CB C 82 40.833 40.833 41.037 -0.204 19876 13314 1 20 . 1 1 82 82 ASP H H 82 9.139 9.139 8.723 0.416 19876 13315 1 20 . 1 1 83 83 THR N N 83 118.686 118.686 117.058 1.628 19876 13316 1 20 . 1 1 83 83 THR HA H 83 3.415 3.415 3.548 -0.133 19876 13317 1 20 . 1 1 83 83 THR C C 83 173.663 173.663 176.571 -2.908 19876 13318 1 20 . 1 1 83 83 THR CA C 83 67.258 67.258 66.887 0.371 19876 13319 1 20 . 1 1 83 83 THR CB C 83 68.017 68.017 68.827 -0.810 19876 13320 1 20 . 1 1 83 83 THR H H 83 8.394 8.394 8.608 -0.214 19876 13321 1 20 . 1 1 84 84 TYR N N 84 122.004 122.004 123.314 -1.310 19876 13322 1 20 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.227 -0.484 19876 13323 1 20 . 1 1 84 84 TYR C C 84 177.983 177.983 177.847 0.136 19876 13324 1 20 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.569 0.538 19876 13325 1 20 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.128 0.323 19876 13326 1 20 . 1 1 84 84 TYR H H 84 8.561 8.561 8.854 -0.293 19876 13327 1 20 . 1 1 85 85 THR N N 85 116.249 116.249 114.961 1.288 19876 13328 1 20 . 1 1 85 85 THR HA H 85 3.409 3.409 3.755 -0.346 19876 13329 1 20 . 1 1 85 85 THR C C 85 174.628 174.628 175.631 -1.003 19876 13330 1 20 . 1 1 85 85 THR CA C 85 66.483 66.483 66.415 0.068 19876 13331 1 20 . 1 1 85 85 THR CB C 85 68.604 68.604 68.568 0.036 19876 13332 1 20 . 1 1 85 85 THR H H 85 8.749 8.749 8.507 0.242 19876 13333 1 20 . 1 1 86 86 LEU N N 86 121.835 121.835 118.883 2.952 19876 13334 1 20 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.931 -0.376 19876 13335 1 20 . 1 1 86 86 LEU C C 86 176.057 176.057 178.905 -2.848 19876 13336 1 20 . 1 1 86 86 LEU CA C 86 58.006 58.006 56.308 1.698 19876 13337 1 20 . 1 1 86 86 LEU CB C 86 41.773 41.773 41.308 0.465 19876 13338 1 20 . 1 1 86 86 LEU H H 86 7.257 7.257 7.884 -0.627 19876 13339 1 20 . 1 1 87 87 PHE N N 87 111.264 111.264 117.504 -6.240 19876 13340 1 20 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.166 -0.189 19876 13341 1 20 . 1 1 87 87 PHE C C 87 174.687 174.687 177.813 -3.126 19876 13342 1 20 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.584 0.156 19876 13343 1 20 . 1 1 87 87 PHE CB C 87 38.431 38.431 38.377 0.054 19876 13344 1 20 . 1 1 87 87 PHE H H 87 7.168 7.168 8.315 -1.147 19876 13345 1 20 . 1 1 88 88 SER N N 88 112.848 112.848 111.223 1.625 19876 13346 1 20 . 1 1 88 88 SER HA H 88 4.207 4.207 4.428 -0.221 19876 13347 1 20 . 1 1 88 88 SER C C 88 172.760 172.760 174.099 -1.339 19876 13348 1 20 . 1 1 88 88 SER CA C 88 58.725 58.725 58.607 0.118 19876 13349 1 20 . 1 1 88 88 SER CB C 88 63.342 63.342 62.652 0.690 19876 13350 1 20 . 1 1 88 88 SER H H 88 7.290 7.290 8.199 -0.909 19876 13351 1 20 . 1 1 89 89 SER N N 89 116.554 116.554 116.347 0.207 19876 13352 1 20 . 1 1 89 89 SER HA H 89 4.347 4.347 4.547 -0.200 19876 13353 1 20 . 1 1 89 89 SER C C 89 172.251 172.251 174.591 -2.340 19876 13354 1 20 . 1 1 89 89 SER CA C 89 57.597 57.597 57.644 -0.047 19876 13355 1 20 . 1 1 89 89 SER CB C 89 64.426 64.426 64.580 -0.154 19876 13356 1 20 . 1 1 89 89 SER H H 89 7.064 7.064 7.469 -0.405 19876 13357 1 20 . 1 1 90 90 TYR N N 90 122.348 122.348 122.031 0.317 19876 13358 1 20 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.155 0.188 19876 13359 1 20 . 1 1 90 90 TYR C C 90 175.043 175.043 174.863 0.180 19876 13360 1 20 . 1 1 90 90 TYR CA C 90 58.972 58.972 61.173 -2.201 19876 13361 1 20 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.855 -1.230 19876 13362 1 20 . 1 1 90 90 TYR H H 90 8.446 8.446 8.663 -0.217 19876 13363 1 20 . 1 1 91 91 GLY N N 91 111.349 111.349 102.135 9.214 19876 13364 1 20 . 1 1 91 91 GLY C C 91 170.874 170.874 172.661 -1.787 19876 13365 1 20 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.261 1.473 19876 13366 1 20 . 1 1 91 91 GLY H H 91 7.820 7.820 7.688 0.132 19876 13367 1 20 . 1 1 92 92 ILE N N 92 121.703 121.703 119.596 2.107 19876 13368 1 20 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.857 0.021 19876 13369 1 20 . 1 1 92 92 ILE C C 92 173.956 173.956 175.493 -1.537 19876 13370 1 20 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.678 -0.551 19876 13371 1 20 . 1 1 92 92 ILE CB C 92 38.442 38.442 36.591 1.851 19876 13372 1 20 . 1 1 92 92 ILE H H 92 8.032 8.032 8.359 -0.327 19876 13373 1 20 . 1 1 93 93 ASN N N 93 125.791 125.791 125.513 0.278 19876 13374 1 20 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.848 0.066 19876 13375 1 20 . 1 1 93 93 ASN C C 93 173.468 173.468 175.454 -1.986 19876 13376 1 20 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.019 -0.577 19876 13377 1 20 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.661 -0.514 19876 13378 1 20 . 1 1 93 93 ASN H H 93 8.423 8.423 8.209 0.214 19876 13379 1 20 . 1 1 94 94 ASP N N 94 122.019 122.019 125.387 -3.368 19876 13380 1 20 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.455 0.036 19876 13381 1 20 . 1 1 94 94 ASP CA C 94 59.118 59.118 59.605 -0.487 19876 13382 1 20 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.745 -0.457 19876 13383 1 20 . 1 1 94 94 ASP H H 94 8.710 8.710 9.016 -0.306 19876 13384 1 20 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.243 -0.089 19876 13385 1 20 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.205 0.349 19876 13386 1 20 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.386 -0.637 19876 13387 1 20 . 1 1 96 96 GLU N N 96 117.965 117.965 117.770 0.195 19876 13388 1 20 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.064 -0.203 19876 13389 1 20 . 1 1 96 96 GLU C C 96 177.730 177.730 178.905 -1.175 19876 13390 1 20 . 1 1 96 96 GLU CA C 96 59.882 59.882 60.095 -0.213 19876 13391 1 20 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.935 -0.097 19876 13392 1 20 . 1 1 96 96 GLU H H 96 7.954 7.954 8.363 -0.409 19876 13393 1 20 . 1 1 97 97 LEU N N 97 124.427 124.427 121.579 2.848 19876 13394 1 20 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.937 0.172 19876 13395 1 20 . 1 1 97 97 LEU C C 97 177.211 177.211 178.894 -1.683 19876 13396 1 20 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.355 -0.304 19876 13397 1 20 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.697 0.074 19876 13398 1 20 . 1 1 97 97 LEU H H 97 7.825 7.825 8.271 -0.446 19876 13399 1 20 . 1 1 98 98 GLN N N 98 117.195 117.195 117.242 -0.047 19876 13400 1 20 . 1 1 98 98 GLN HA H 98 3.990 3.990 3.999 -0.009 19876 13401 1 20 . 1 1 98 98 GLN C C 98 177.762 177.762 179.087 -1.325 19876 13402 1 20 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.526 0.097 19876 13403 1 20 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.894 0.107 19876 13404 1 20 . 1 1 98 98 GLN H H 98 8.481 8.481 8.840 -0.359 19876 13405 1 20 . 1 1 99 99 ARG N N 99 119.687 119.687 120.964 -1.277 19876 13406 1 20 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.032 -0.110 19876 13407 1 20 . 1 1 99 99 ARG C C 99 176.055 176.055 178.697 -2.642 19876 13408 1 20 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.551 0.062 19876 13409 1 20 . 1 1 99 99 ARG CB C 99 30.322 30.322 30.256 0.066 19876 13410 1 20 . 1 1 99 99 ARG H H 99 7.836 7.836 7.858 -0.022 19876 13411 1 20 . 1 1 100 100 TRP N N 100 119.762 119.762 122.426 -2.664 19876 13412 1 20 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.542 -0.313 19876 13413 1 20 . 1 1 100 100 TRP C C 100 176.004 176.004 178.772 -2.768 19876 13414 1 20 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.516 0.489 19876 13415 1 20 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.139 -0.191 19876 13416 1 20 . 1 1 100 100 TRP H H 100 7.731 7.731 8.981 -1.250 19876 13417 1 20 . 1 1 101 101 GLN N N 101 115.464 115.464 115.511 -0.047 19876 13418 1 20 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.860 -0.375 19876 13419 1 20 . 1 1 101 101 GLN C C 101 177.498 177.498 178.532 -1.034 19876 13420 1 20 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.613 -0.449 19876 13421 1 20 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.033 0.049 19876 13422 1 20 . 1 1 101 101 GLN H H 101 8.277 8.277 8.796 -0.519 19876 13423 1 20 . 1 1 102 102 LYS N N 102 119.856 119.856 119.666 0.190 19876 13424 1 20 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.121 -0.209 19876 13425 1 20 . 1 1 102 102 LYS C C 102 178.364 178.364 179.018 -0.654 19876 13426 1 20 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.314 -0.135 19876 13427 1 20 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.337 -0.512 19876 13428 1 20 . 1 1 102 102 LYS H H 102 8.047 8.047 8.039 0.008 19876 13429 1 20 . 1 1 103 103 THR N N 103 121.217 121.217 117.112 4.105 19876 13430 1 20 . 1 1 103 103 THR HA H 103 3.658 3.658 3.900 -0.241 19876 13431 1 20 . 1 1 103 103 THR C C 103 174.266 174.266 176.427 -2.161 19876 13432 1 20 . 1 1 103 103 THR CA C 103 66.206 66.206 66.841 -0.635 19876 13433 1 20 . 1 1 103 103 THR CB C 103 67.515 67.515 68.381 -0.866 19876 13434 1 20 . 1 1 103 103 THR H H 103 8.816 8.816 8.447 0.369 19876 13435 1 20 . 1 1 104 104 LYS N N 104 122.265 122.265 120.324 1.941 19876 13436 1 20 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.510 -0.459 19876 13437 1 20 . 1 1 104 104 LYS C C 104 176.952 176.952 178.738 -1.786 19876 13438 1 20 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.468 1.052 19876 13439 1 20 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.020 -0.680 19876 13440 1 20 . 1 1 104 104 LYS H H 104 8.258 8.258 8.396 -0.138 19876 13441 1 20 . 1 1 105 105 GLU N N 105 118.912 118.912 119.838 -0.926 19876 13442 1 20 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.901 -0.303 19876 13443 1 20 . 1 1 105 105 GLU C C 105 178.038 178.038 178.933 -0.895 19876 13444 1 20 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.231 0.287 19876 13445 1 20 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.147 -0.115 19876 13446 1 20 . 1 1 105 105 GLU H H 105 7.963 7.963 7.506 0.457 19876 13447 1 20 . 1 1 106 106 ARG N N 106 120.201 120.201 119.305 0.896 19876 13448 1 20 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.950 -0.254 19876 13449 1 20 . 1 1 106 106 ARG C C 106 177.744 177.744 178.972 -1.228 19876 13450 1 20 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.136 0.858 19876 13451 1 20 . 1 1 106 106 ARG CB C 106 30.788 30.788 29.994 0.794 19876 13452 1 20 . 1 1 106 106 ARG H H 106 7.940 7.940 8.414 -0.474 19876 13453 1 20 . 1 1 107 107 LEU N N 107 120.982 120.982 119.949 1.033 19876 13454 1 20 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.956 -0.211 19876 13455 1 20 . 1 1 107 107 LEU C C 107 176.173 176.173 178.734 -2.561 19876 13456 1 20 . 1 1 107 107 LEU CA C 107 57.437 57.437 57.846 -0.409 19876 13457 1 20 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.604 -0.735 19876 13458 1 20 . 1 1 107 107 LEU H H 107 8.242 8.242 7.925 0.317 19876 13459 1 20 . 1 1 108 108 PHE N N 108 117.793 117.793 118.028 -0.235 19876 13460 1 20 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.203 -0.201 19876 13461 1 20 . 1 1 108 108 PHE C C 108 177.654 177.654 177.632 0.022 19876 13462 1 20 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.810 -0.621 19876 13463 1 20 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.507 -1.722 19876 13464 1 20 . 1 1 108 108 PHE H H 108 8.772 8.772 7.994 0.778 19876 13465 1 20 . 1 1 109 109 ARG N N 109 121.726 121.726 118.188 3.538 19876 13466 1 20 . 1 1 109 109 ARG HA H 109 4.006 4.006 3.967 0.039 19876 13467 1 20 . 1 1 109 109 ARG C C 109 177.785 177.785 178.373 -0.588 19876 13468 1 20 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.592 0.750 19876 13469 1 20 . 1 1 109 109 ARG CB C 109 29.798 29.798 28.810 0.988 19876 13470 1 20 . 1 1 109 109 ARG H H 109 7.865 7.865 8.565 -0.700 19876 13471 1 20 . 1 1 110 110 LEU N N 110 121.486 121.486 118.608 2.878 19876 13472 1 20 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.534 0.560 19876 13473 1 20 . 1 1 110 110 LEU C C 110 178.537 178.537 179.107 -0.570 19876 13474 1 20 . 1 1 110 110 LEU CA C 110 57.841 57.841 56.081 1.760 19876 13475 1 20 . 1 1 110 110 LEU CB C 110 40.821 40.821 40.620 0.201 19876 13476 1 20 . 1 1 110 110 LEU H H 110 7.338 7.338 7.303 0.035 19876 13477 1 20 . 1 1 111 111 PHE N N 111 115.883 115.883 116.761 -0.878 19876 13478 1 20 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.158 0.158 19876 13479 1 20 . 1 1 111 111 PHE C C 111 175.369 175.369 177.363 -1.994 19876 13480 1 20 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.147 -1.068 19876 13481 1 20 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.499 0.012 19876 13482 1 20 . 1 1 111 111 PHE H H 111 7.584 7.584 7.544 0.040 19876 13483 1 20 . 1 1 112 112 SER N N 112 111.693 111.693 113.736 -2.043 19876 13484 1 20 . 1 1 112 112 SER HA H 112 4.329 4.329 4.481 -0.152 19876 13485 1 20 . 1 1 112 112 SER C C 112 173.353 173.353 175.107 -1.754 19876 13486 1 20 . 1 1 112 112 SER CA C 112 59.050 59.050 59.017 0.033 19876 13487 1 20 . 1 1 112 112 SER CB C 112 63.841 63.841 63.115 0.726 19876 13488 1 20 . 1 1 112 112 SER H H 112 7.554 7.554 8.204 -0.650 19876 13489 1 20 . 1 1 113 113 GLY N N 113 109.665 109.665 109.088 0.577 19876 13490 1 20 . 1 1 113 113 GLY C C 113 173.407 173.407 175.570 -2.163 19876 13491 1 20 . 1 1 113 113 GLY CA C 113 45.374 45.374 45.135 0.239 19876 13492 1 20 . 1 1 113 113 GLY H H 113 7.781 7.781 7.573 0.208 19876 13493 1 20 . 1 1 114 114 GLU N N 114 121.028 121.028 123.010 -1.982 19876 13494 1 20 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.004 -0.002 19876 13495 1 20 . 1 1 114 114 GLU C C 114 175.971 175.971 178.499 -2.528 19876 13496 1 20 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.916 -0.606 19876 13497 1 20 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.339 0.825 19876 13498 1 20 . 1 1 114 114 GLU H H 114 8.414 8.414 7.960 0.454 19876 13499 1 20 . 1 1 115 115 TYR N N 115 118.828 118.828 116.142 2.686 19876 13500 1 20 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.652 -0.340 19876 13501 1 20 . 1 1 115 115 TYR C C 115 175.248 175.248 178.440 -3.192 19876 13502 1 20 . 1 1 115 115 TYR CA C 115 59.734 59.734 58.808 0.926 19876 13503 1 20 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.114 0.257 19876 13504 1 20 . 1 1 115 115 TYR H H 115 7.939 7.939 7.083 0.856 19876 13505 1 20 . 1 1 116 116 ILE N N 116 120.412 120.412 121.124 -0.712 19876 13506 1 20 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.411 0.332 19876 13507 1 20 . 1 1 116 116 ILE C C 116 175.591 175.591 177.874 -2.283 19876 13508 1 20 . 1 1 116 116 ILE CA C 116 62.136 62.136 63.815 -1.679 19876 13509 1 20 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.007 1.220 19876 13510 1 20 . 1 1 116 116 ILE H H 116 7.892 7.892 7.248 0.644 19876 13511 1 20 . 1 1 117 117 SER N N 117 117.142 117.142 113.481 3.661 19876 13512 1 20 . 1 1 117 117 SER HA H 117 4.141 4.141 4.131 0.010 19876 13513 1 20 . 1 1 117 117 SER C C 117 174.795 174.795 175.469 -0.674 19876 13514 1 20 . 1 1 117 117 SER CA C 117 60.437 60.437 61.559 -1.122 19876 13515 1 20 . 1 1 117 117 SER CB C 117 62.987 62.987 62.615 0.372 19876 13516 1 20 . 1 1 117 117 SER H H 117 8.127 8.127 8.720 -0.593 19876 13517 1 20 . 1 1 118 118 THR N N 118 115.779 115.779 113.576 2.203 19876 13518 1 20 . 1 1 118 118 THR HA H 118 3.987 3.987 4.218 -0.231 19876 13519 1 20 . 1 1 118 118 THR C C 118 174.025 174.025 175.821 -1.796 19876 13520 1 20 . 1 1 118 118 THR CA C 118 64.026 64.026 63.626 0.400 19876 13521 1 20 . 1 1 118 118 THR CB C 118 68.953 68.953 69.603 -0.650 19876 13522 1 20 . 1 1 118 118 THR H H 118 7.872 7.872 7.532 0.340 19876 13523 1 20 . 1 1 119 119 LEU N N 119 122.845 122.845 123.673 -0.828 19876 13524 1 20 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.865 0.183 19876 13525 1 20 . 1 1 119 119 LEU C C 119 176.246 176.246 176.507 -0.261 19876 13526 1 20 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.545 -1.464 19876 13527 1 20 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.518 -0.313 19876 13528 1 20 . 1 1 119 119 LEU H H 119 7.679 7.679 8.210 -0.531 19876 13529 1 20 . 1 1 120 120 MET N N 120 117.447 117.447 114.378 3.069 19876 13530 1 20 . 1 1 120 120 MET HA H 120 4.243 4.243 4.580 -0.337 19876 13531 1 20 . 1 1 120 120 MET C C 120 174.594 174.594 175.845 -1.251 19876 13532 1 20 . 1 1 120 120 MET CA C 120 55.470 55.470 55.094 0.376 19876 13533 1 20 . 1 1 120 120 MET CB C 120 32.606 32.606 33.107 -0.501 19876 13534 1 20 . 1 1 120 120 MET H H 120 7.812 7.812 8.082 -0.270 19876 13535 1 20 . 1 1 121 121 LYS N N 121 121.578 121.578 124.096 -2.518 19876 13536 1 20 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.088 0.147 19876 13537 1 20 . 1 1 121 121 LYS C C 121 174.539 174.539 176.768 -2.229 19876 13538 1 20 . 1 1 121 121 LYS CA C 121 56.481 56.481 58.887 -2.406 19876 13539 1 20 . 1 1 121 121 LYS CB C 121 32.966 32.966 32.858 0.108 19876 13540 1 20 . 1 1 121 121 LYS H H 121 7.790 7.790 8.665 -0.875 19876 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 112 2.346 -0.302 2.337 19876 2 1 1 "Average Difference" HA 125 0.299 0.119 0.276 19876 3 1 1 "Average Difference" C 108 1.723 1.396 1.016 19876 4 1 1 "Average Difference" CA 119 1.028 0.065 1.031 19876 5 1 1 "Average Difference" CB 113 0.828 0.063 0.829 19876 6 1 1 "Average Difference" HN 112 0.574 0.262 0.513 19876 7 1 2 "Average Difference" N 112 2.524 -0.367 2.508 19876 8 1 2 "Average Difference" HA 125 0.309 0.140 0.276 19876 9 1 2 "Average Difference" C 108 1.784 1.444 1.052 19876 10 1 2 "Average Difference" CA 119 0.929 0.110 0.927 19876 11 1 2 "Average Difference" CB 113 0.750 0.119 0.744 19876 12 1 2 "Average Difference" HN 112 0.559 0.271 0.491 19876 13 1 3 "Average Difference" N 112 2.627 -0.316 2.620 19876 14 1 3 "Average Difference" HA 125 0.292 0.100 0.275 19876 15 1 3 "Average Difference" C 108 1.765 1.419 1.054 19876 16 1 3 "Average Difference" CA 119 0.962 0.165 0.952 19876 17 1 3 "Average Difference" CB 113 0.725 0.043 0.727 19876 18 1 3 "Average Difference" HN 112 0.570 0.270 0.504 19876 19 1 4 "Average Difference" N 112 2.210 -0.509 2.161 19876 20 1 4 "Average Difference" HA 125 0.277 0.111 0.255 19876 21 1 4 "Average Difference" C 108 1.668 1.359 0.971 19876 22 1 4 "Average Difference" CA 119 0.983 0.127 0.979 19876 23 1 4 "Average Difference" CB 113 0.779 0.206 0.755 19876 24 1 4 "Average Difference" HN 112 0.568 0.272 0.501 19876 25 1 5 "Average Difference" N 112 2.291 -0.208 2.291 19876 26 1 5 "Average Difference" HA 125 0.297 0.102 0.280 19876 27 1 5 "Average Difference" C 108 1.734 1.411 1.013 19876 28 1 5 "Average Difference" CA 119 0.993 0.183 0.980 19876 29 1 5 "Average Difference" CB 113 0.798 -0.011 0.802 19876 30 1 5 "Average Difference" HN 112 0.564 0.258 0.503 19876 31 1 6 "Average Difference" N 112 2.406 -0.167 2.411 19876 32 1 6 "Average Difference" HA 125 0.262 0.101 0.243 19876 33 1 6 "Average Difference" C 108 1.740 1.470 0.936 19876 34 1 6 "Average Difference" CA 119 0.921 0.199 0.903 19876 35 1 6 "Average Difference" CB 113 0.733 0.038 0.735 19876 36 1 6 "Average Difference" HN 112 0.594 0.327 0.498 19876 37 1 7 "Average Difference" N 112 2.596 -0.264 2.594 19876 38 1 7 "Average Difference" HA 125 0.289 0.125 0.262 19876 39 1 7 "Average Difference" C 108 1.772 1.473 0.991 19876 40 1 7 "Average Difference" CA 119 0.963 0.086 0.963 19876 41 1 7 "Average Difference" CB 113 0.880 0.077 0.880 19876 42 1 7 "Average Difference" HN 112 0.558 0.289 0.479 19876 43 1 8 "Average Difference" N 112 2.228 -0.405 2.200 19876 44 1 8 "Average Difference" HA 125 0.267 0.087 0.254 19876 45 1 8 "Average Difference" C 108 1.732 1.443 0.963 19876 46 1 8 "Average Difference" CA 119 0.911 0.173 0.898 19876 47 1 8 "Average Difference" CB 113 0.657 0.004 0.659 19876 48 1 8 "Average Difference" HN 112 0.582 0.271 0.517 19876 49 1 9 "Average Difference" N 112 2.402 -0.081 2.411 19876 50 1 9 "Average Difference" HA 125 0.259 0.122 0.230 19876 51 1 9 "Average Difference" C 108 1.726 1.408 1.003 19876 52 1 9 "Average Difference" CA 119 0.887 0.145 0.878 19876 53 1 9 "Average Difference" CB 113 0.734 0.129 0.726 19876 54 1 9 "Average Difference" HN 112 0.553 0.298 0.467 19876 55 1 10 "Average Difference" N 112 2.449 -0.271 2.444 19876 56 1 10 "Average Difference" HA 125 0.264 0.110 0.241 19876 57 1 10 "Average Difference" C 108 1.688 1.340 1.033 19876 58 1 10 "Average Difference" CA 119 0.967 0.148 0.960 19876 59 1 10 "Average Difference" CB 113 0.705 0.068 0.705 19876 60 1 10 "Average Difference" HN 112 0.547 0.235 0.496 19876 61 1 11 "Average Difference" N 112 2.481 -0.443 2.452 19876 62 1 11 "Average Difference" HA 125 0.289 0.131 0.259 19876 63 1 11 "Average Difference" C 108 1.751 1.421 1.028 19876 64 1 11 "Average Difference" CA 119 0.957 0.160 0.948 19876 65 1 11 "Average Difference" CB 113 0.737 0.124 0.729 19876 66 1 11 "Average Difference" HN 112 0.541 0.328 0.432 19876 67 1 12 "Average Difference" N 112 2.324 -0.313 2.314 19876 68 1 12 "Average Difference" HA 125 0.276 0.106 0.256 19876 69 1 12 "Average Difference" C 108 1.711 1.388 1.004 19876 70 1 12 "Average Difference" CA 119 1.027 0.099 1.027 19876 71 1 12 "Average Difference" CB 113 0.771 0.129 0.763 19876 72 1 12 "Average Difference" HN 112 0.533 0.244 0.477 19876 73 1 13 "Average Difference" N 112 2.265 -0.312 2.253 19876 74 1 13 "Average Difference" HA 125 0.282 0.108 0.261 19876 75 1 13 "Average Difference" C 108 1.703 1.420 0.944 19876 76 1 13 "Average Difference" CA 119 0.884 0.160 0.873 19876 77 1 13 "Average Difference" CB 113 0.789 0.137 0.780 19876 78 1 13 "Average Difference" HN 112 0.538 0.261 0.472 19876 79 1 14 "Average Difference" N 112 2.377 -0.324 2.365 19876 80 1 14 "Average Difference" HA 125 0.303 0.101 0.287 19876 81 1 14 "Average Difference" C 108 1.742 1.414 1.023 19876 82 1 14 "Average Difference" CA 119 0.849 0.055 0.851 19876 83 1 14 "Average Difference" CB 113 0.740 0.050 0.742 19876 84 1 14 "Average Difference" HN 112 0.525 0.245 0.467 19876 85 1 15 "Average Difference" N 112 2.496 -0.351 2.483 19876 86 1 15 "Average Difference" HA 125 0.313 0.111 0.294 19876 87 1 15 "Average Difference" C 108 1.743 1.416 1.020 19876 88 1 15 "Average Difference" CA 119 0.999 0.145 0.993 19876 89 1 15 "Average Difference" CB 113 0.809 0.113 0.805 19876 90 1 15 "Average Difference" HN 112 0.555 0.276 0.484 19876 91 1 16 "Average Difference" N 112 2.235 -0.258 2.230 19876 92 1 16 "Average Difference" HA 125 0.253 0.095 0.235 19876 93 1 16 "Average Difference" C 108 1.705 1.407 0.966 19876 94 1 16 "Average Difference" CA 119 0.871 0.097 0.869 19876 95 1 16 "Average Difference" CB 113 0.770 0.085 0.769 19876 96 1 16 "Average Difference" HN 112 0.573 0.284 0.500 19876 97 1 17 "Average Difference" N 112 2.347 -0.222 2.347 19876 98 1 17 "Average Difference" HA 125 0.303 0.131 0.274 19876 99 1 17 "Average Difference" C 108 1.752 1.422 1.028 19876 100 1 17 "Average Difference" CA 119 0.993 0.099 0.992 19876 101 1 17 "Average Difference" CB 113 0.802 0.090 0.800 19876 102 1 17 "Average Difference" HN 112 0.546 0.311 0.450 19876 103 1 18 "Average Difference" N 112 2.464 -0.142 2.471 19876 104 1 18 "Average Difference" HA 125 0.265 0.102 0.245 19876 105 1 18 "Average Difference" C 108 1.756 1.372 1.101 19876 106 1 18 "Average Difference" CA 119 0.999 0.147 0.992 19876 107 1 18 "Average Difference" CB 113 0.839 0.089 0.838 19876 108 1 18 "Average Difference" HN 112 0.510 0.253 0.445 19876 109 1 19 "Average Difference" N 112 2.285 -0.441 2.252 19876 110 1 19 "Average Difference" HA 125 0.301 0.104 0.284 19876 111 1 19 "Average Difference" C 108 1.731 1.454 0.944 19876 112 1 19 "Average Difference" CA 119 0.946 0.186 0.931 19876 113 1 19 "Average Difference" CB 113 0.839 0.162 0.827 19876 114 1 19 "Average Difference" HN 112 0.569 0.286 0.493 19876 115 1 20 "Average Difference" N 112 2.533 -0.336 2.522 19876 116 1 20 "Average Difference" HA 125 0.284 0.115 0.260 19876 117 1 20 "Average Difference" C 108 1.754 1.401 1.060 19876 118 1 20 "Average Difference" CA 119 0.933 0.105 0.931 19876 119 1 20 "Average Difference" CB 113 0.711 0.039 0.713 19876 120 1 20 "Average Difference" HN 112 0.591 0.269 0.528 19876 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 19876 _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 2 2 ASP N N 2 122.949 122.949 122.594 0.354 19876 2 1 . 1 1 2 2 ASP HA H 2 4.444 4.444 4.751 -0.307 19876 3 1 . 1 1 2 2 ASP C C 2 174.891 174.891 175.297 -0.406 19876 4 1 . 1 1 2 2 ASP CA C 2 53.622 53.622 54.062 -0.440 19876 5 1 . 1 1 2 2 ASP CB C 2 41.319 41.319 41.713 -0.394 19876 6 1 . 1 1 2 2 ASP H H 2 8.386 8.386 8.473 -0.087 19876 7 1 . 1 1 3 3 GLU N N 3 119.296 119.296 120.827 -1.531 19876 8 1 . 1 1 3 3 GLU HA H 3 3.864 3.864 4.314 -0.450 19876 9 1 . 1 1 3 3 GLU C C 3 175.006 175.006 175.956 -0.950 19876 10 1 . 1 1 3 3 GLU CA C 3 58.073 58.073 56.165 1.908 19876 11 1 . 1 1 3 3 GLU CB C 3 29.567 29.567 29.574 -0.007 19876 12 1 . 1 1 3 3 GLU H H 3 8.601 8.601 8.476 0.125 19876 13 1 . 1 1 4 4 TYR N N 4 118.038 118.038 121.496 -3.458 19876 14 1 . 1 1 4 4 TYR HA H 4 4.453 4.453 4.420 0.032 19876 15 1 . 1 1 4 4 TYR C C 4 174.761 174.761 175.942 -1.181 19876 16 1 . 1 1 4 4 TYR CA C 4 57.574 57.574 59.398 -1.824 19876 17 1 . 1 1 4 4 TYR CB C 4 38.995 38.995 38.909 0.086 19876 18 1 . 1 1 4 4 TYR H H 4 8.049 8.049 8.163 -0.114 19876 19 1 . 1 1 5 5 SER N N 5 118.519 118.519 114.180 4.338 19876 20 1 . 1 1 5 5 SER HA H 5 4.444 4.444 4.736 -0.292 19876 21 1 . 1 1 5 5 SER C C 5 171.907 171.907 172.270 -0.363 19876 22 1 . 1 1 5 5 SER CA C 5 57.173 57.173 56.740 0.434 19876 23 1 . 1 1 5 5 SER CB C 5 62.104 62.104 63.525 -1.421 19876 24 1 . 1 1 5 5 SER H H 5 7.759 7.759 8.117 -0.358 19876 25 1 . 1 1 6 6 PRO HA H 6 4.444 4.444 4.545 -0.101 19876 26 1 . 1 1 6 6 PRO CA C 6 63.597 63.597 62.811 0.786 19876 27 1 . 1 1 6 6 PRO CB C 6 32.048 32.048 32.097 -0.049 19876 28 1 . 1 1 8 8 ARG HA H 8 3.788 3.788 4.063 -0.275 19876 29 1 . 1 1 8 8 ARG CA C 8 59.500 59.500 59.777 -0.277 19876 30 1 . 1 1 8 8 ARG CB C 8 29.581 29.581 29.368 0.213 19876 31 1 . 1 1 9 9 HIS N N 9 118.064 118.064 118.661 -0.597 19876 32 1 . 1 1 9 9 HIS HA H 9 4.282 4.282 4.368 -0.086 19876 33 1 . 1 1 9 9 HIS C C 9 176.264 176.264 177.680 -1.415 19876 34 1 . 1 1 9 9 HIS CA C 9 59.043 59.043 59.709 -0.666 19876 35 1 . 1 1 9 9 HIS CB C 9 30.389 30.389 29.822 0.567 19876 36 1 . 1 1 9 9 HIS H H 9 7.291 7.291 8.268 -0.977 19876 37 1 . 1 1 10 10 ASP N N 10 122.089 122.089 120.341 1.748 19876 38 1 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.827 -0.244 19876 39 1 . 1 1 10 10 ASP C C 10 177.261 177.261 179.104 -1.843 19876 40 1 . 1 1 10 10 ASP CA C 10 57.872 57.872 58.061 -0.189 19876 41 1 . 1 1 10 10 ASP CB C 10 40.569 40.569 40.774 -0.205 19876 42 1 . 1 1 10 10 ASP H H 10 8.221 8.221 8.587 -0.366 19876 43 1 . 1 1 11 11 VAL N N 11 119.318 119.318 120.882 -1.564 19876 44 1 . 1 1 11 11 VAL HA H 11 3.487 3.487 3.983 -0.496 19876 45 1 . 1 1 11 11 VAL C C 11 175.661 175.661 178.056 -2.395 19876 46 1 . 1 1 11 11 VAL CA C 11 66.879 66.879 66.876 0.003 19876 47 1 . 1 1 11 11 VAL CB C 11 31.426 31.426 31.358 0.068 19876 48 1 . 1 1 11 11 VAL H H 11 8.850 8.850 8.443 0.407 19876 49 1 . 1 1 12 12 ALA N N 12 121.749 121.749 122.134 -0.385 19876 50 1 . 1 1 12 12 ALA HA H 12 3.769 3.769 3.771 -0.002 19876 51 1 . 1 1 12 12 ALA C C 12 179.484 179.484 179.536 -0.052 19876 52 1 . 1 1 12 12 ALA CA C 12 55.268 55.268 55.515 -0.247 19876 53 1 . 1 1 12 12 ALA CB C 12 17.742 17.742 18.108 -0.366 19876 54 1 . 1 1 12 12 ALA H H 12 7.676 7.676 8.538 -0.862 19876 55 1 . 1 1 13 13 GLN N N 13 119.544 119.544 118.692 0.852 19876 56 1 . 1 1 13 13 GLN HA H 13 4.007 4.007 3.978 0.029 19876 57 1 . 1 1 13 13 GLN C C 13 176.075 176.075 178.443 -2.368 19876 58 1 . 1 1 13 13 GLN CA C 13 58.232 58.232 59.177 -0.945 19876 59 1 . 1 1 13 13 GLN CB C 13 27.750 27.750 28.427 -0.677 19876 60 1 . 1 1 13 13 GLN H H 13 8.151 8.151 8.616 -0.465 19876 61 1 . 1 1 14 14 LEU N N 14 121.127 121.127 121.008 0.119 19876 62 1 . 1 1 14 14 LEU HA H 14 3.556 3.556 4.073 -0.517 19876 63 1 . 1 1 14 14 LEU C C 14 176.935 176.935 178.502 -1.567 19876 64 1 . 1 1 14 14 LEU CA C 14 57.724 57.724 58.045 -0.321 19876 65 1 . 1 1 14 14 LEU CB C 14 41.687 41.687 41.382 0.305 19876 66 1 . 1 1 14 14 LEU H H 14 7.889 7.889 8.737 -0.848 19876 67 1 . 1 1 15 15 LYS N N 15 120.458 120.458 119.038 1.420 19876 68 1 . 1 1 15 15 LYS HA H 15 2.662 2.662 2.850 -0.188 19876 69 1 . 1 1 15 15 LYS C C 15 176.022 176.022 178.576 -2.554 19876 70 1 . 1 1 15 15 LYS CA C 15 60.038 60.038 58.981 1.057 19876 71 1 . 1 1 15 15 LYS CB C 15 32.211 32.211 31.346 0.865 19876 72 1 . 1 1 15 15 LYS H H 15 8.174 8.174 7.960 0.214 19876 73 1 . 1 1 16 16 PHE N N 16 119.257 119.257 120.756 -1.499 19876 74 1 . 1 1 16 16 PHE HA H 16 4.187 4.187 4.160 0.027 19876 75 1 . 1 1 16 16 PHE C C 16 177.917 177.917 177.995 -0.078 19876 76 1 . 1 1 16 16 PHE CA C 16 60.330 60.330 60.886 -0.556 19876 77 1 . 1 1 16 16 PHE CB C 16 38.494 38.494 38.481 0.013 19876 78 1 . 1 1 16 16 PHE H H 16 7.855 7.855 8.547 -0.692 19876 79 1 . 1 1 17 17 LEU N N 17 121.489 121.489 119.780 1.709 19876 80 1 . 1 1 17 17 LEU HA H 17 3.598 3.598 3.865 -0.267 19876 81 1 . 1 1 17 17 LEU C C 17 177.988 177.988 179.068 -1.080 19876 82 1 . 1 1 17 17 LEU CA C 17 57.962 57.962 58.494 -0.532 19876 83 1 . 1 1 17 17 LEU CB C 17 41.698 41.698 40.642 1.056 19876 84 1 . 1 1 17 17 LEU H H 17 8.560 8.560 8.782 -0.222 19876 85 1 . 1 1 18 18 CYS N N 18 116.216 116.216 118.737 -2.521 19876 86 1 . 1 1 18 18 CYS HA H 18 4.235 4.235 4.159 0.076 19876 87 1 . 1 1 18 18 CYS C C 18 176.987 176.987 177.405 -0.418 19876 88 1 . 1 1 18 18 CYS CA C 18 65.574 65.574 63.370 2.204 19876 89 1 . 1 1 18 18 CYS CB C 18 27.304 27.304 26.061 1.243 19876 90 1 . 1 1 18 18 CYS H H 18 8.194 8.194 8.245 -0.051 19876 91 1 . 1 1 19 19 GLU N N 19 123.947 123.947 120.740 3.207 19876 92 1 . 1 1 19 19 GLU HA H 19 3.885 3.885 4.162 -0.277 19876 93 1 . 1 1 19 19 GLU C C 19 176.436 176.436 179.304 -2.868 19876 94 1 . 1 1 19 19 GLU CA C 19 59.886 59.886 59.935 -0.049 19876 95 1 . 1 1 19 19 GLU CB C 19 29.281 29.281 29.317 -0.036 19876 96 1 . 1 1 19 19 GLU H H 19 8.842 8.842 8.902 -0.060 19876 97 1 . 1 1 20 20 SER N N 20 116.500 116.500 116.160 0.340 19876 98 1 . 1 1 20 20 SER HA H 20 4.056 4.056 4.175 -0.119 19876 99 1 . 1 1 20 20 SER C C 20 174.835 174.835 176.685 -1.850 19876 100 1 . 1 1 20 20 SER CA C 20 61.729 61.729 61.821 -0.092 19876 101 1 . 1 1 20 20 SER CB C 20 62.360 62.360 62.979 -0.619 19876 102 1 . 1 1 20 20 SER H H 20 8.198 8.198 8.585 -0.387 19876 103 1 . 1 1 21 21 LEU N N 21 121.186 121.186 123.430 -2.244 19876 104 1 . 1 1 21 21 LEU HA H 21 3.911 3.911 4.050 -0.139 19876 105 1 . 1 1 21 21 LEU C C 21 175.905 175.905 178.319 -2.414 19876 106 1 . 1 1 21 21 LEU CA C 21 57.953 57.953 58.351 -0.398 19876 107 1 . 1 1 21 21 LEU CB C 21 41.609 41.609 42.012 -0.403 19876 108 1 . 1 1 21 21 LEU H H 21 7.970 7.970 8.475 -0.505 19876 109 1 . 1 1 22 22 TYR N N 22 119.690 119.690 120.340 -0.650 19876 110 1 . 1 1 22 22 TYR HA H 22 4.318 4.318 4.360 -0.042 19876 111 1 . 1 1 22 22 TYR C C 22 175.453 175.453 178.002 -2.550 19876 112 1 . 1 1 22 22 TYR CA C 22 62.240 62.240 60.789 1.451 19876 113 1 . 1 1 22 22 TYR CB C 22 37.143 37.143 37.928 -0.785 19876 114 1 . 1 1 22 22 TYR H H 22 7.473 7.473 8.991 -1.518 19876 115 1 . 1 1 23 23 ASP N N 23 118.291 118.291 118.609 -0.318 19876 116 1 . 1 1 23 23 ASP HA H 23 4.047 4.047 4.378 -0.331 19876 117 1 . 1 1 23 23 ASP C C 23 178.796 178.796 178.655 0.141 19876 118 1 . 1 1 23 23 ASP CA C 23 57.284 57.284 57.952 -0.668 19876 119 1 . 1 1 23 23 ASP CB C 23 39.883 39.883 40.922 -1.040 19876 120 1 . 1 1 23 23 ASP H H 23 8.249 8.249 8.180 0.069 19876 121 1 . 1 1 24 24 GLU N N 24 120.605 120.605 119.561 1.044 19876 122 1 . 1 1 24 24 GLU HA H 24 3.931 3.931 3.972 -0.041 19876 123 1 . 1 1 24 24 GLU C C 24 178.457 178.457 179.338 -0.881 19876 124 1 . 1 1 24 24 GLU CA C 24 58.561 58.561 59.289 -0.728 19876 125 1 . 1 1 24 24 GLU CB C 24 28.922 28.922 29.285 -0.363 19876 126 1 . 1 1 24 24 GLU H H 24 8.347 8.347 8.532 -0.185 19876 127 1 . 1 1 25 25 GLY N N 25 111.777 111.777 109.026 2.751 19876 128 1 . 1 1 25 25 GLY C C 25 173.906 173.906 176.420 -2.514 19876 129 1 . 1 1 25 25 GLY CA C 25 47.468 47.468 47.396 0.072 19876 130 1 . 1 1 25 25 GLY H H 25 8.701 8.701 8.987 -0.286 19876 131 1 . 1 1 26 26 ILE N N 26 122.263 122.263 123.486 -1.223 19876 132 1 . 1 1 26 26 ILE HA H 26 3.757 3.757 3.767 -0.010 19876 133 1 . 1 1 26 26 ILE C C 26 178.116 178.116 178.342 -0.226 19876 134 1 . 1 1 26 26 ILE CA C 26 62.231 62.231 63.565 -1.334 19876 135 1 . 1 1 26 26 ILE CB C 26 35.688 35.688 36.869 -1.181 19876 136 1 . 1 1 26 26 ILE H H 26 8.717 8.717 8.407 0.310 19876 137 1 . 1 1 27 27 ALA N N 27 122.092 122.092 121.934 0.158 19876 138 1 . 1 1 27 27 ALA HA H 27 3.960 3.960 4.012 -0.052 19876 139 1 . 1 1 27 27 ALA C C 27 178.428 178.428 179.347 -0.919 19876 140 1 . 1 1 27 27 ALA CA C 27 54.493 54.493 55.245 -0.752 19876 141 1 . 1 1 27 27 ALA CB C 27 18.050 18.050 18.430 -0.380 19876 142 1 . 1 1 27 27 ALA H H 27 7.672 7.672 8.436 -0.764 19876 143 1 . 1 1 28 28 THR N N 28 115.031 115.031 113.946 1.085 19876 144 1 . 1 1 28 28 THR HA H 28 3.734 3.734 4.222 -0.488 19876 145 1 . 1 1 28 28 THR C C 28 174.403 174.403 176.671 -2.268 19876 146 1 . 1 1 28 28 THR CA C 28 65.750 65.750 65.617 0.133 19876 147 1 . 1 1 28 28 THR CB C 28 68.530 68.530 69.222 -0.692 19876 148 1 . 1 1 28 28 THR H H 28 7.554 7.554 7.866 -0.312 19876 149 1 . 1 1 29 29 LEU N N 29 121.356 121.356 120.447 0.909 19876 150 1 . 1 1 29 29 LEU HA H 29 3.810 3.810 4.116 -0.306 19876 151 1 . 1 1 29 29 LEU C C 29 176.694 176.694 178.319 -1.625 19876 152 1 . 1 1 29 29 LEU CA C 29 56.494 56.494 56.961 -0.467 19876 153 1 . 1 1 29 29 LEU CB C 29 42.179 42.179 41.778 0.401 19876 154 1 . 1 1 29 29 LEU H H 29 7.580 7.580 8.637 -1.057 19876 155 1 . 1 1 30 30 GLY CA C 30 44.903 44.903 45.005 -0.102 19876 156 1 . 1 1 31 31 ASP N N 31 119.983 119.983 121.374 -1.390 19876 157 1 . 1 1 31 31 ASP HA H 31 4.563 4.563 4.711 -0.148 19876 158 1 . 1 1 31 31 ASP C C 31 175.609 175.609 175.595 0.014 19876 159 1 . 1 1 31 31 ASP CA C 31 53.883 53.883 53.541 0.342 19876 160 1 . 1 1 31 31 ASP CB C 31 41.558 41.558 41.962 -0.405 19876 161 1 . 1 1 31 31 ASP H H 31 8.017 8.017 7.840 0.177 19876 162 1 . 1 1 32 32 SER N N 32 118.027 118.027 118.638 -0.611 19876 163 1 . 1 1 32 32 SER HA H 32 4.191 4.191 4.518 -0.327 19876 164 1 . 1 1 32 32 SER C C 32 178.747 178.747 175.363 3.384 19876 165 1 . 1 1 32 32 SER CA C 32 59.247 59.247 58.657 0.590 19876 166 1 . 1 1 32 32 SER CB C 32 63.224 63.224 63.077 0.147 19876 167 1 . 1 1 32 32 SER H H 32 8.284 8.284 8.415 -0.131 19876 168 1 . 1 1 33 33 HIS HA H 33 4.345 4.345 4.301 0.044 19876 169 1 . 1 1 33 33 HIS CA C 33 57.029 57.029 58.965 -1.935 19876 170 1 . 1 1 33 33 HIS CB C 33 29.559 29.559 29.845 -0.286 19876 171 1 . 1 1 34 34 HIS N N 34 117.885 117.885 115.492 2.393 19876 172 1 . 1 1 34 34 HIS HA H 34 4.484 4.484 4.558 -0.074 19876 173 1 . 1 1 34 34 HIS CA C 34 55.947 55.947 55.958 -0.011 19876 174 1 . 1 1 34 34 HIS CB C 34 29.767 29.767 30.120 -0.353 19876 175 1 . 1 1 34 34 HIS H H 34 7.896 7.896 8.170 -0.274 19876 176 1 . 1 1 35 35 GLY N N 35 108.681 108.681 106.881 1.800 19876 177 1 . 1 1 35 35 GLY C C 35 172.466 172.466 174.184 -1.718 19876 178 1 . 1 1 35 35 GLY CA C 35 45.299 45.299 45.700 -0.402 19876 179 1 . 1 1 35 35 GLY H H 35 7.864 7.864 8.222 -0.358 19876 180 1 . 1 1 36 36 TRP N N 36 120.973 120.973 119.259 1.714 19876 181 1 . 1 1 36 36 TRP HA H 36 4.494 4.494 4.695 -0.201 19876 182 1 . 1 1 36 36 TRP C C 36 174.594 174.594 175.852 -1.258 19876 183 1 . 1 1 36 36 TRP CA C 36 57.866 57.866 57.840 0.027 19876 184 1 . 1 1 36 36 TRP CB C 36 29.587 29.587 30.431 -0.844 19876 185 1 . 1 1 36 36 TRP H H 36 7.809 7.809 7.860 -0.051 19876 186 1 . 1 1 37 37 VAL N N 37 122.778 122.778 114.806 7.972 19876 187 1 . 1 1 37 37 VAL HA H 37 3.787 3.787 4.318 -0.530 19876 188 1 . 1 1 37 37 VAL C C 37 173.396 173.396 174.745 -1.349 19876 189 1 . 1 1 37 37 VAL CA C 37 61.284 61.284 60.719 0.565 19876 190 1 . 1 1 37 37 VAL CB C 37 33.534 33.534 33.548 -0.014 19876 191 1 . 1 1 37 37 VAL H H 37 7.712 7.712 8.011 -0.299 19876 192 1 . 1 1 38 38 ASN N N 38 121.869 121.869 120.705 1.164 19876 193 1 . 1 1 38 38 ASN HA H 38 4.235 4.235 4.799 -0.564 19876 194 1 . 1 1 38 38 ASN C C 38 172.186 172.186 174.098 -1.912 19876 195 1 . 1 1 38 38 ASN CA C 38 54.070 54.070 52.668 1.402 19876 196 1 . 1 1 38 38 ASN CB C 38 40.629 40.629 40.178 0.451 19876 197 1 . 1 1 38 38 ASN H H 38 7.768 7.768 8.829 -1.061 19876 198 1 . 1 1 39 39 ASP N N 39 123.332 123.332 125.617 -2.285 19876 199 1 . 1 1 39 39 ASP HA H 39 4.859 4.859 4.736 0.123 19876 200 1 . 1 1 39 39 ASP C C 39 173.301 173.301 175.958 -2.657 19876 201 1 . 1 1 39 39 ASP CA C 39 49.860 49.860 51.920 -2.060 19876 202 1 . 1 1 39 39 ASP CB C 39 41.708 41.708 42.110 -0.402 19876 203 1 . 1 1 39 39 ASP H H 39 8.300 8.300 8.481 -0.181 19876 204 1 . 1 1 40 40 PRO HA H 40 4.156 4.156 4.382 -0.226 19876 205 1 . 1 1 40 40 PRO CA C 40 63.934 63.934 64.570 -0.636 19876 206 1 . 1 1 40 40 PRO CB C 40 32.892 32.892 32.072 0.820 19876 207 1 . 1 1 41 41 THR N N 41 107.824 107.824 107.784 0.040 19876 208 1 . 1 1 41 41 THR HA H 41 4.191 4.191 4.261 -0.070 19876 209 1 . 1 1 41 41 THR C C 41 173.405 173.405 174.813 -1.408 19876 210 1 . 1 1 41 41 THR CA C 41 61.283 61.283 61.887 -0.604 19876 211 1 . 1 1 41 41 THR CB C 41 69.351 69.351 69.035 0.316 19876 212 1 . 1 1 41 41 THR H H 41 7.923 7.923 7.940 -0.017 19876 213 1 . 1 1 42 42 SER N N 42 118.745 118.745 118.048 0.697 19876 214 1 . 1 1 42 42 SER HA H 42 4.187 4.187 4.287 -0.100 19876 215 1 . 1 1 42 42 SER C C 42 172.750 172.750 175.715 -2.965 19876 216 1 . 1 1 42 42 SER CA C 42 58.320 58.320 58.216 0.104 19876 217 1 . 1 1 42 42 SER CB C 42 64.569 64.569 64.475 0.094 19876 218 1 . 1 1 42 42 SER H H 42 7.705 7.705 7.771 -0.066 19876 219 1 . 1 1 43 43 ALA N N 43 124.591 124.591 128.861 -4.270 19876 220 1 . 1 1 43 43 ALA HA H 43 3.960 3.960 3.959 0.001 19876 221 1 . 1 1 43 43 ALA C C 43 178.795 178.795 179.274 -0.479 19876 222 1 . 1 1 43 43 ALA CA C 43 55.136 55.136 55.290 -0.154 19876 223 1 . 1 1 43 43 ALA CB C 43 18.144 18.144 18.267 -0.123 19876 224 1 . 1 1 43 43 ALA H H 43 8.540 8.540 8.832 -0.292 19876 225 1 . 1 1 44 44 VAL N N 44 115.734 115.734 116.733 -0.999 19876 226 1 . 1 1 44 44 VAL HA H 44 3.719 3.719 3.508 0.211 19876 227 1 . 1 1 44 44 VAL C C 44 176.057 176.057 177.589 -1.532 19876 228 1 . 1 1 44 44 VAL CA C 44 64.702 64.702 65.705 -1.003 19876 229 1 . 1 1 44 44 VAL CB C 44 31.735 31.735 31.116 0.619 19876 230 1 . 1 1 44 44 VAL H H 44 7.836 7.836 7.887 -0.052 19876 231 1 . 1 1 45 45 ASN N N 45 123.038 123.038 118.673 4.365 19876 232 1 . 1 1 45 45 ASN HA H 45 4.044 4.044 3.954 0.090 19876 233 1 . 1 1 45 45 ASN C C 45 176.022 176.022 177.780 -1.758 19876 234 1 . 1 1 45 45 ASN CA C 45 56.835 56.835 56.225 0.610 19876 235 1 . 1 1 45 45 ASN CB C 45 37.721 37.721 38.187 -0.466 19876 236 1 . 1 1 45 45 ASN H H 45 7.709 7.709 7.603 0.106 19876 237 1 . 1 1 46 46 LEU N N 46 122.005 122.005 120.664 1.341 19876 238 1 . 1 1 46 46 LEU HA H 46 3.926 3.926 3.844 0.082 19876 239 1 . 1 1 46 46 LEU C C 46 178.192 178.192 179.029 -0.837 19876 240 1 . 1 1 46 46 LEU CA C 46 58.043 58.043 58.310 -0.267 19876 241 1 . 1 1 46 46 LEU CB C 46 40.830 40.830 41.477 -0.647 19876 242 1 . 1 1 46 46 LEU H H 46 8.239 8.239 8.529 -0.290 19876 243 1 . 1 1 47 47 GLN N N 47 119.394 119.394 118.761 0.633 19876 244 1 . 1 1 47 47 GLN HA H 47 3.971 3.971 3.888 0.083 19876 245 1 . 1 1 47 47 GLN C C 47 177.762 177.762 178.744 -0.982 19876 246 1 . 1 1 47 47 GLN CA C 47 58.691 58.691 59.329 -0.638 19876 247 1 . 1 1 47 47 GLN CB C 47 28.127 28.127 28.655 -0.528 19876 248 1 . 1 1 47 47 GLN H H 47 7.825 7.825 8.231 -0.406 19876 249 1 . 1 1 48 48 LEU N N 48 122.808 122.808 119.647 3.161 19876 250 1 . 1 1 48 48 LEU HA H 48 3.743 3.743 3.791 -0.048 19876 251 1 . 1 1 48 48 LEU C C 48 177.366 177.366 178.712 -1.347 19876 252 1 . 1 1 48 48 LEU CA C 48 58.274 58.274 58.726 -0.452 19876 253 1 . 1 1 48 48 LEU CB C 48 41.459 41.459 41.031 0.428 19876 254 1 . 1 1 48 48 LEU H H 48 7.625 7.625 8.639 -1.014 19876 255 1 . 1 1 49 49 ASN N N 49 117.784 117.784 117.943 -0.159 19876 256 1 . 1 1 49 49 ASN HA H 49 4.286 4.286 4.363 -0.077 19876 257 1 . 1 1 49 49 ASN C C 49 176.893 176.893 177.261 -0.369 19876 258 1 . 1 1 49 49 ASN CA C 49 56.136 56.136 57.053 -0.917 19876 259 1 . 1 1 49 49 ASN CB C 49 37.610 37.610 38.200 -0.590 19876 260 1 . 1 1 49 49 ASN H H 49 7.797 7.797 8.339 -0.542 19876 261 1 . 1 1 50 50 ASP N N 50 120.887 120.887 121.301 -0.414 19876 262 1 . 1 1 50 50 ASP HA H 50 4.304 4.304 4.438 -0.134 19876 263 1 . 1 1 50 50 ASP C C 50 177.452 177.452 178.518 -1.066 19876 264 1 . 1 1 50 50 ASP CA C 50 57.387 57.387 57.454 -0.067 19876 265 1 . 1 1 50 50 ASP CB C 50 40.590 40.590 41.065 -0.475 19876 266 1 . 1 1 50 50 ASP H H 50 7.868 7.868 8.360 -0.492 19876 267 1 . 1 1 51 51 LEU N N 51 123.117 123.117 120.475 2.642 19876 268 1 . 1 1 51 51 LEU HA H 51 4.158 4.158 3.955 0.203 19876 269 1 . 1 1 51 51 LEU C C 51 177.345 177.345 179.154 -1.809 19876 270 1 . 1 1 51 51 LEU CA C 51 57.964 57.964 58.747 -0.783 19876 271 1 . 1 1 51 51 LEU CB C 51 41.001 41.001 41.711 -0.710 19876 272 1 . 1 1 51 51 LEU H H 51 7.627 7.627 8.462 -0.835 19876 273 1 . 1 1 52 52 ILE N N 52 120.007 120.007 119.262 0.745 19876 274 1 . 1 1 52 52 ILE HA H 52 3.367 3.367 3.544 -0.177 19876 275 1 . 1 1 52 52 ILE C C 52 176.246 176.246 178.114 -1.868 19876 276 1 . 1 1 52 52 ILE CA C 52 67.020 67.020 66.127 0.893 19876 277 1 . 1 1 52 52 ILE CB C 52 38.182 38.182 37.529 0.653 19876 278 1 . 1 1 52 52 ILE H H 52 8.309 8.309 8.805 -0.496 19876 279 1 . 1 1 53 53 GLU N N 53 117.619 117.619 119.057 -1.438 19876 280 1 . 1 1 53 53 GLU HA H 53 3.931 3.931 3.978 -0.047 19876 281 1 . 1 1 53 53 GLU C C 53 178.193 178.193 178.905 -0.712 19876 282 1 . 1 1 53 53 GLU CA C 53 59.453 59.453 59.799 -0.346 19876 283 1 . 1 1 53 53 GLU CB C 53 29.348 29.348 29.532 -0.184 19876 284 1 . 1 1 53 53 GLU H H 53 7.965 7.965 7.952 0.013 19876 285 1 . 1 1 54 54 HIS N N 54 120.335 120.335 120.712 -0.377 19876 286 1 . 1 1 54 54 HIS HA H 54 4.312 4.312 4.330 -0.018 19876 287 1 . 1 1 54 54 HIS C C 54 177.331 177.331 178.105 -0.774 19876 288 1 . 1 1 54 54 HIS CA C 54 59.562 59.562 59.643 -0.081 19876 289 1 . 1 1 54 54 HIS CB C 54 30.197 30.197 29.893 0.304 19876 290 1 . 1 1 54 54 HIS H H 54 8.117 8.117 8.686 -0.569 19876 291 1 . 1 1 55 55 ILE N N 55 120.694 120.694 119.309 1.385 19876 292 1 . 1 1 55 55 ILE HA H 55 3.439 3.439 3.789 -0.350 19876 293 1 . 1 1 55 55 ILE C C 55 176.281 176.281 177.751 -1.470 19876 294 1 . 1 1 55 55 ILE CA C 55 65.951 65.951 65.170 0.781 19876 295 1 . 1 1 55 55 ILE CB C 55 37.029 37.029 37.716 -0.687 19876 296 1 . 1 1 55 55 ILE H H 55 8.655 8.655 8.817 -0.162 19876 297 1 . 1 1 56 56 ALA N N 56 123.896 123.896 123.841 0.055 19876 298 1 . 1 1 56 56 ALA HA H 56 3.761 3.761 3.900 -0.139 19876 299 1 . 1 1 56 56 ALA C C 56 179.581 179.581 179.581 -0.000 19876 300 1 . 1 1 56 56 ALA CA C 56 55.612 55.612 55.692 -0.080 19876 301 1 . 1 1 56 56 ALA CB C 56 17.649 17.649 18.072 -0.423 19876 302 1 . 1 1 56 56 ALA H H 56 9.063 9.063 8.639 0.424 19876 303 1 . 1 1 57 57 SER N N 57 114.014 114.014 115.351 -1.337 19876 304 1 . 1 1 57 57 SER HA H 57 4.165 4.165 4.207 -0.042 19876 305 1 . 1 1 57 57 SER C C 57 175.540 175.540 176.671 -1.131 19876 306 1 . 1 1 57 57 SER CA C 57 61.491 61.491 61.502 -0.011 19876 307 1 . 1 1 57 57 SER CB C 57 62.640 62.640 62.936 -0.296 19876 308 1 . 1 1 57 57 SER H H 57 7.918 7.918 8.724 -0.806 19876 309 1 . 1 1 58 58 PHE N N 58 125.013 125.013 124.288 0.725 19876 310 1 . 1 1 58 58 PHE HA H 58 4.018 4.018 4.380 -0.362 19876 311 1 . 1 1 58 58 PHE C C 58 177.343 177.343 177.425 -0.082 19876 312 1 . 1 1 58 58 PHE CA C 58 61.676 61.676 60.629 1.047 19876 313 1 . 1 1 58 58 PHE CB C 58 39.184 39.184 38.991 0.193 19876 314 1 . 1 1 58 58 PHE H H 58 8.024 8.024 8.060 -0.036 19876 315 1 . 1 1 59 59 VAL N N 59 120.373 120.373 120.387 -0.014 19876 316 1 . 1 1 59 59 VAL HA H 59 3.657 3.657 3.288 0.369 19876 317 1 . 1 1 59 59 VAL C C 59 175.403 175.403 177.920 -2.517 19876 318 1 . 1 1 59 59 VAL CA C 59 66.102 66.102 67.194 -1.092 19876 319 1 . 1 1 59 59 VAL CB C 59 31.438 31.438 31.519 -0.081 19876 320 1 . 1 1 59 59 VAL H H 59 9.263 9.263 8.938 0.325 19876 321 1 . 1 1 60 60 MET N N 60 120.360 120.360 118.922 1.438 19876 322 1 . 1 1 60 60 MET HA H 60 4.002 4.002 3.907 0.095 19876 323 1 . 1 1 60 60 MET C C 60 177.417 177.417 178.456 -1.039 19876 324 1 . 1 1 60 60 MET CA C 60 59.396 59.396 59.826 -0.430 19876 325 1 . 1 1 60 60 MET CB C 60 31.986 31.986 32.496 -0.510 19876 326 1 . 1 1 60 60 MET H H 60 7.826 7.826 8.625 -0.799 19876 327 1 . 1 1 61 61 SER N N 61 113.289 113.289 114.925 -1.636 19876 328 1 . 1 1 61 61 SER HA H 61 4.035 4.035 4.125 -0.090 19876 329 1 . 1 1 61 61 SER CA C 61 61.619 61.619 61.365 0.254 19876 330 1 . 1 1 61 61 SER CB C 61 62.600 62.600 62.816 -0.216 19876 331 1 . 1 1 61 61 SER H H 61 7.230 7.230 7.978 -0.748 19876 332 1 . 1 1 62 62 PHE N N 62 126.395 126.395 124.096 2.299 19876 333 1 . 1 1 62 62 PHE HA H 62 3.641 3.641 4.015 -0.374 19876 334 1 . 1 1 62 62 PHE CA C 62 61.944 61.944 61.937 0.007 19876 335 1 . 1 1 62 62 PHE CB C 62 40.462 40.462 38.901 1.561 19876 336 1 . 1 1 62 62 PHE H H 62 8.681 8.681 8.544 0.137 19876 337 1 . 1 1 63 63 LYS N N 63 116.676 116.676 117.357 -0.681 19876 338 1 . 1 1 63 63 LYS HA H 63 4.032 4.032 4.151 -0.119 19876 339 1 . 1 1 63 63 LYS C C 63 177.262 177.262 178.387 -1.126 19876 340 1 . 1 1 63 63 LYS CA C 63 58.688 58.688 58.855 -0.167 19876 341 1 . 1 1 63 63 LYS CB C 63 32.849 32.849 31.962 0.887 19876 342 1 . 1 1 63 63 LYS H H 63 8.585 8.585 8.591 -0.006 19876 343 1 . 1 1 64 64 ILE N N 64 117.020 117.020 118.285 -1.265 19876 344 1 . 1 1 64 64 ILE HA H 64 3.523 3.523 3.810 -0.287 19876 345 1 . 1 1 64 64 ILE C C 64 176.151 176.151 177.626 -1.475 19876 346 1 . 1 1 64 64 ILE CA C 64 62.993 62.993 63.664 -0.671 19876 347 1 . 1 1 64 64 ILE CB C 64 38.177 38.177 37.903 0.274 19876 348 1 . 1 1 64 64 ILE H H 64 6.751 6.751 7.574 -0.823 19876 349 1 . 1 1 65 65 LYS N N 65 120.165 120.165 118.322 1.843 19876 350 1 . 1 1 65 65 LYS HA H 65 3.439 3.439 4.034 -0.595 19876 351 1 . 1 1 65 65 LYS C C 65 175.133 175.133 176.873 -1.740 19876 352 1 . 1 1 65 65 LYS CA C 65 58.955 58.955 58.153 0.802 19876 353 1 . 1 1 65 65 LYS CB C 65 32.957 32.957 33.124 -0.167 19876 354 1 . 1 1 65 65 LYS H H 65 7.058 7.058 7.808 -0.750 19876 355 1 . 1 1 66 66 TYR N N 66 115.421 115.421 119.070 -3.649 19876 356 1 . 1 1 66 66 TYR HA H 66 4.888 4.888 4.769 0.119 19876 357 1 . 1 1 66 66 TYR C C 66 173.061 173.061 173.525 -0.464 19876 358 1 . 1 1 66 66 TYR CA C 66 54.529 54.529 55.137 -0.608 19876 359 1 . 1 1 66 66 TYR CB C 66 36.669 36.669 39.338 -2.669 19876 360 1 . 1 1 66 66 TYR H H 66 7.784 7.784 8.063 -0.279 19876 361 1 . 1 1 67 67 PRO HA H 67 4.357 4.357 4.465 -0.108 19876 362 1 . 1 1 67 67 PRO CA C 67 64.510 64.510 64.251 0.259 19876 363 1 . 1 1 67 67 PRO CB C 67 31.905 31.905 32.219 -0.314 19876 364 1 . 1 1 68 68 ASP N N 68 117.110 117.110 118.352 -1.242 19876 365 1 . 1 1 68 68 ASP HA H 68 4.727 4.727 4.419 0.308 19876 366 1 . 1 1 68 68 ASP C C 68 175.024 175.024 176.454 -1.430 19876 367 1 . 1 1 68 68 ASP CA C 68 54.743 54.743 55.623 -0.880 19876 368 1 . 1 1 68 68 ASP CB C 68 40.494 40.494 40.433 0.061 19876 369 1 . 1 1 68 68 ASP H H 68 8.548 8.548 8.235 0.313 19876 370 1 . 1 1 69 69 ASP N N 69 122.994 122.994 117.517 5.477 19876 371 1 . 1 1 69 69 ASP HA H 69 4.991 4.991 4.410 0.581 19876 372 1 . 1 1 69 69 ASP C C 69 174.782 174.782 177.666 -2.884 19876 373 1 . 1 1 69 69 ASP CA C 69 54.315 54.315 53.900 0.415 19876 374 1 . 1 1 69 69 ASP CB C 69 40.163 40.163 40.356 -0.194 19876 375 1 . 1 1 69 69 ASP H H 69 7.545 7.545 7.903 -0.358 19876 376 1 . 1 1 70 70 GLY N N 70 107.712 107.712 109.184 -1.471 19876 377 1 . 1 1 70 70 GLY C C 70 173.987 173.987 175.567 -1.580 19876 378 1 . 1 1 70 70 GLY CA C 70 47.332 47.332 47.651 -0.319 19876 379 1 . 1 1 70 70 GLY H H 70 7.879 7.879 7.965 -0.086 19876 380 1 . 1 1 71 71 ASP N N 71 119.785 119.785 121.306 -1.521 19876 381 1 . 1 1 71 71 ASP HA H 71 4.195 4.195 4.455 -0.260 19876 382 1 . 1 1 71 71 ASP C C 71 177.114 177.114 178.161 -1.047 19876 383 1 . 1 1 71 71 ASP CA C 71 57.052 57.052 57.067 -0.015 19876 384 1 . 1 1 71 71 ASP CB C 71 39.345 39.345 40.574 -1.229 19876 385 1 . 1 1 71 71 ASP H H 71 8.447 8.447 7.962 0.485 19876 386 1 . 1 1 72 72 LEU N N 72 119.776 119.776 120.934 -1.158 19876 387 1 . 1 1 72 72 LEU HA H 72 3.867 3.867 3.916 -0.049 19876 388 1 . 1 1 72 72 LEU C C 72 176.531 176.531 178.140 -1.609 19876 389 1 . 1 1 72 72 LEU CA C 72 57.452 57.452 57.860 -0.408 19876 390 1 . 1 1 72 72 LEU CB C 72 41.735 41.735 41.634 0.101 19876 391 1 . 1 1 72 72 LEU H H 72 7.562 7.562 7.746 -0.184 19876 392 1 . 1 1 73 73 SER N N 73 113.964 113.964 115.478 -1.514 19876 393 1 . 1 1 73 73 SER HA H 73 3.605 3.605 3.957 -0.352 19876 394 1 . 1 1 73 73 SER C C 73 174.610 174.610 176.575 -1.965 19876 395 1 . 1 1 73 73 SER CA C 73 62.161 62.161 62.205 -0.044 19876 396 1 . 1 1 73 73 SER CB C 73 62.158 62.158 62.588 -0.430 19876 397 1 . 1 1 73 73 SER H H 73 8.050 8.050 8.434 -0.384 19876 398 1 . 1 1 74 74 GLU N N 74 119.742 119.742 122.723 -2.981 19876 399 1 . 1 1 74 74 GLU HA H 74 4.071 4.071 4.075 -0.004 19876 400 1 . 1 1 74 74 GLU C C 74 178.089 178.089 178.865 -0.776 19876 401 1 . 1 1 74 74 GLU CA C 74 59.102 59.102 59.431 -0.329 19876 402 1 . 1 1 74 74 GLU CB C 74 29.213 29.213 29.455 -0.242 19876 403 1 . 1 1 74 74 GLU H H 74 8.623 8.623 8.209 0.414 19876 404 1 . 1 1 75 75 LEU N N 75 122.325 122.325 120.971 1.354 19876 405 1 . 1 1 75 75 LEU HA H 75 4.243 4.243 4.148 0.095 19876 406 1 . 1 1 75 75 LEU C C 75 177.962 177.962 179.026 -1.064 19876 407 1 . 1 1 75 75 LEU CA C 75 57.380 57.380 57.556 -0.176 19876 408 1 . 1 1 75 75 LEU CB C 75 41.404 41.404 41.280 0.124 19876 409 1 . 1 1 75 75 LEU H H 75 7.255 7.255 8.135 -0.880 19876 410 1 . 1 1 76 76 VAL N N 76 119.514 119.514 120.111 -0.597 19876 411 1 . 1 1 76 76 VAL HA H 76 3.587 3.587 3.606 -0.019 19876 412 1 . 1 1 76 76 VAL C C 76 176.909 176.909 178.327 -1.418 19876 413 1 . 1 1 76 76 VAL CA C 76 67.260 67.260 67.363 -0.103 19876 414 1 . 1 1 76 76 VAL CB C 76 30.943 30.943 31.111 -0.168 19876 415 1 . 1 1 76 76 VAL H H 76 8.235 8.235 8.730 -0.495 19876 416 1 . 1 1 77 77 GLU N N 77 118.692 118.692 119.837 -1.145 19876 417 1 . 1 1 77 77 GLU HA H 77 3.739 3.739 3.881 -0.142 19876 418 1 . 1 1 77 77 GLU C C 77 177.692 177.692 179.134 -1.442 19876 419 1 . 1 1 77 77 GLU CA C 77 61.007 61.007 60.160 0.847 19876 420 1 . 1 1 77 77 GLU CB C 77 29.157 29.157 29.222 -0.065 19876 421 1 . 1 1 77 77 GLU H H 77 8.204 8.204 8.821 -0.617 19876 422 1 . 1 1 78 78 GLU N N 78 121.945 121.945 120.164 1.781 19876 423 1 . 1 1 78 78 GLU HA H 78 4.028 4.028 4.033 -0.005 19876 424 1 . 1 1 78 78 GLU C C 78 176.559 176.559 178.955 -2.396 19876 425 1 . 1 1 78 78 GLU CA C 78 59.574 59.574 59.745 -0.171 19876 426 1 . 1 1 78 78 GLU CB C 78 29.885 29.885 29.686 0.199 19876 427 1 . 1 1 78 78 GLU H H 78 8.058 8.058 8.496 -0.438 19876 428 1 . 1 1 79 79 TYR N N 79 119.945 119.945 121.238 -1.293 19876 429 1 . 1 1 79 79 TYR HA H 79 4.400 4.400 4.266 0.134 19876 430 1 . 1 1 79 79 TYR C C 79 178.365 178.365 178.196 0.169 19876 431 1 . 1 1 79 79 TYR CA C 79 60.101 60.101 60.479 -0.378 19876 432 1 . 1 1 79 79 TYR CB C 79 38.638 38.638 38.208 0.430 19876 433 1 . 1 1 79 79 TYR H H 79 8.347 8.347 8.685 -0.338 19876 434 1 . 1 1 80 80 LEU N N 80 123.586 123.586 119.578 4.008 19876 435 1 . 1 1 80 80 LEU HA H 80 3.649 3.649 3.816 -0.167 19876 436 1 . 1 1 80 80 LEU C C 80 177.594 177.594 179.255 -1.661 19876 437 1 . 1 1 80 80 LEU CA C 80 58.679 58.679 58.383 0.296 19876 438 1 . 1 1 80 80 LEU CB C 80 40.642 40.642 41.161 -0.519 19876 439 1 . 1 1 80 80 LEU H H 80 9.113 9.113 8.826 0.287 19876 440 1 . 1 1 81 81 ASP N N 81 121.522 121.522 119.438 2.084 19876 441 1 . 1 1 81 81 ASP HA H 81 4.406 4.406 4.340 0.066 19876 442 1 . 1 1 81 81 ASP C C 81 178.021 178.021 178.503 -0.482 19876 443 1 . 1 1 81 81 ASP CA C 81 57.689 57.689 58.174 -0.485 19876 444 1 . 1 1 81 81 ASP CB C 81 40.642 40.642 40.747 -0.105 19876 445 1 . 1 1 81 81 ASP H H 81 8.228 8.228 8.656 -0.428 19876 446 1 . 1 1 82 82 ASP N N 82 120.931 120.931 119.959 0.972 19876 447 1 . 1 1 82 82 ASP HA H 82 4.422 4.422 4.452 -0.030 19876 448 1 . 1 1 82 82 ASP C C 82 178.342 178.342 178.889 -0.547 19876 449 1 . 1 1 82 82 ASP CA C 82 57.907 57.907 57.813 0.094 19876 450 1 . 1 1 82 82 ASP CB C 82 40.833 40.833 40.820 0.013 19876 451 1 . 1 1 82 82 ASP H H 82 9.139 9.139 8.763 0.376 19876 452 1 . 1 1 83 83 THR N N 83 118.686 118.686 117.496 1.190 19876 453 1 . 1 1 83 83 THR HA H 83 3.415 3.415 3.572 -0.157 19876 454 1 . 1 1 83 83 THR C C 83 173.663 173.663 176.423 -2.760 19876 455 1 . 1 1 83 83 THR CA C 83 67.258 67.258 66.922 0.336 19876 456 1 . 1 1 83 83 THR CB C 83 68.017 68.017 68.927 -0.910 19876 457 1 . 1 1 83 83 THR H H 83 8.394 8.394 8.797 -0.403 19876 458 1 . 1 1 84 84 TYR N N 84 122.004 122.004 122.894 -0.890 19876 459 1 . 1 1 84 84 TYR HA H 84 3.743 3.743 4.122 -0.379 19876 460 1 . 1 1 84 84 TYR C C 84 177.983 177.983 177.665 0.318 19876 461 1 . 1 1 84 84 TYR CA C 84 62.107 62.107 61.925 0.182 19876 462 1 . 1 1 84 84 TYR CB C 84 38.451 38.451 38.357 0.094 19876 463 1 . 1 1 84 84 TYR H H 84 8.561 8.561 8.851 -0.290 19876 464 1 . 1 1 85 85 THR N N 85 116.249 116.249 115.826 0.423 19876 465 1 . 1 1 85 85 THR HA H 85 3.409 3.409 3.761 -0.352 19876 466 1 . 1 1 85 85 THR C C 85 174.628 174.628 176.488 -1.860 19876 467 1 . 1 1 85 85 THR CA C 85 66.483 66.483 66.421 0.062 19876 468 1 . 1 1 85 85 THR CB C 85 68.604 68.604 68.643 -0.039 19876 469 1 . 1 1 85 85 THR H H 85 8.749 8.749 8.686 0.063 19876 470 1 . 1 1 86 86 LEU N N 86 121.835 121.835 122.024 -0.189 19876 471 1 . 1 1 86 86 LEU HA H 86 3.555 3.555 3.850 -0.295 19876 472 1 . 1 1 86 86 LEU C C 86 176.057 176.057 179.229 -3.172 19876 473 1 . 1 1 86 86 LEU CA C 86 58.006 58.006 57.413 0.593 19876 474 1 . 1 1 86 86 LEU CB C 86 41.773 41.773 40.578 1.195 19876 475 1 . 1 1 86 86 LEU H H 86 7.257 7.257 8.264 -1.007 19876 476 1 . 1 1 87 87 PHE N N 87 111.264 111.264 116.076 -4.812 19876 477 1 . 1 1 87 87 PHE HA H 87 3.977 3.977 4.145 -0.168 19876 478 1 . 1 1 87 87 PHE C C 87 174.687 174.687 177.742 -3.055 19876 479 1 . 1 1 87 87 PHE CA C 87 60.740 60.740 60.353 0.387 19876 480 1 . 1 1 87 87 PHE CB C 87 38.431 38.431 37.792 0.639 19876 481 1 . 1 1 87 87 PHE H H 87 7.168 7.168 7.990 -0.822 19876 482 1 . 1 1 88 88 SER N N 88 112.848 112.848 113.212 -0.364 19876 483 1 . 1 1 88 88 SER HA H 88 4.207 4.207 4.168 0.039 19876 484 1 . 1 1 88 88 SER C C 88 172.760 172.760 174.321 -1.561 19876 485 1 . 1 1 88 88 SER CA C 88 58.725 58.725 59.802 -1.077 19876 486 1 . 1 1 88 88 SER CB C 88 63.342 63.342 63.289 0.052 19876 487 1 . 1 1 88 88 SER H H 88 7.290 7.290 7.780 -0.490 19876 488 1 . 1 1 89 89 SER N N 89 116.554 116.554 117.612 -1.058 19876 489 1 . 1 1 89 89 SER HA H 89 4.347 4.347 4.462 -0.116 19876 490 1 . 1 1 89 89 SER C C 89 172.251 172.251 174.120 -1.869 19876 491 1 . 1 1 89 89 SER CA C 89 57.597 57.597 57.768 -0.171 19876 492 1 . 1 1 89 89 SER CB C 89 64.426 64.426 63.729 0.697 19876 493 1 . 1 1 89 89 SER H H 89 7.064 7.064 7.595 -0.531 19876 494 1 . 1 1 90 90 TYR N N 90 122.348 122.348 124.220 -1.872 19876 495 1 . 1 1 90 90 TYR HA H 90 4.343 4.343 4.339 0.004 19876 496 1 . 1 1 90 90 TYR C C 90 175.043 175.043 176.672 -1.629 19876 497 1 . 1 1 90 90 TYR CA C 90 58.972 58.972 60.843 -1.871 19876 498 1 . 1 1 90 90 TYR CB C 90 37.626 37.626 38.759 -1.133 19876 499 1 . 1 1 90 90 TYR H H 90 8.446 8.446 8.496 -0.050 19876 500 1 . 1 1 91 91 GLY N N 91 111.349 111.349 104.154 7.195 19876 501 1 . 1 1 91 91 GLY C C 91 170.874 170.874 173.396 -2.522 19876 502 1 . 1 1 91 91 GLY CA C 91 44.734 44.734 43.712 1.022 19876 503 1 . 1 1 91 91 GLY H H 91 7.820 7.820 7.969 -0.149 19876 504 1 . 1 1 92 92 ILE N N 92 121.703 121.703 122.610 -0.907 19876 505 1 . 1 1 92 92 ILE HA H 92 3.878 3.878 3.823 0.055 19876 506 1 . 1 1 92 92 ILE C C 92 173.956 173.956 175.750 -1.794 19876 507 1 . 1 1 92 92 ILE CA C 92 60.127 60.127 60.505 -0.379 19876 508 1 . 1 1 92 92 ILE CB C 92 38.442 38.442 37.102 1.340 19876 509 1 . 1 1 92 92 ILE H H 92 8.032 8.032 8.370 -0.338 19876 510 1 . 1 1 93 93 ASN N N 93 125.791 125.791 126.130 -0.339 19876 511 1 . 1 1 93 93 ASN HA H 93 4.914 4.914 4.834 0.080 19876 512 1 . 1 1 93 93 ASN C C 93 173.468 173.468 175.589 -2.121 19876 513 1 . 1 1 93 93 ASN CA C 93 51.442 51.442 52.310 -0.868 19876 514 1 . 1 1 93 93 ASN CB C 93 40.147 40.147 40.259 -0.112 19876 515 1 . 1 1 93 93 ASN H H 93 8.423 8.423 8.330 0.093 19876 516 1 . 1 1 94 94 ASP N N 94 122.019 122.019 124.676 -2.657 19876 517 1 . 1 1 94 94 ASP HA H 94 4.491 4.491 4.459 0.032 19876 518 1 . 1 1 94 94 ASP CA C 94 59.118 59.118 58.667 0.451 19876 519 1 . 1 1 94 94 ASP CB C 94 39.288 39.288 39.185 0.103 19876 520 1 . 1 1 94 94 ASP H H 94 8.710 8.710 8.951 -0.241 19876 521 1 . 1 1 95 95 PRO HA H 95 4.154 4.154 4.250 -0.096 19876 522 1 . 1 1 95 95 PRO CA C 95 66.554 66.554 66.006 0.548 19876 523 1 . 1 1 95 95 PRO CB C 95 30.749 30.749 31.264 -0.515 19876 524 1 . 1 1 96 96 GLU N N 96 117.965 117.965 118.103 -0.138 19876 525 1 . 1 1 96 96 GLU HA H 96 3.861 3.861 4.064 -0.203 19876 526 1 . 1 1 96 96 GLU C C 96 177.730 177.730 179.063 -1.333 19876 527 1 . 1 1 96 96 GLU CA C 96 59.882 59.882 59.683 0.199 19876 528 1 . 1 1 96 96 GLU CB C 96 28.838 28.838 28.822 0.016 19876 529 1 . 1 1 96 96 GLU H H 96 7.954 7.954 8.401 -0.447 19876 530 1 . 1 1 97 97 LEU N N 97 124.427 124.427 121.619 2.808 19876 531 1 . 1 1 97 97 LEU HA H 97 4.109 4.109 3.963 0.146 19876 532 1 . 1 1 97 97 LEU C C 97 177.211 177.211 178.866 -1.655 19876 533 1 . 1 1 97 97 LEU CA C 97 58.051 58.051 58.315 -0.264 19876 534 1 . 1 1 97 97 LEU CB C 97 41.771 41.771 41.764 0.007 19876 535 1 . 1 1 97 97 LEU H H 97 7.825 7.825 8.298 -0.473 19876 536 1 . 1 1 98 98 GLN N N 98 117.195 117.195 117.685 -0.490 19876 537 1 . 1 1 98 98 GLN HA H 98 3.990 3.990 4.028 -0.038 19876 538 1 . 1 1 98 98 GLN C C 98 177.762 177.762 178.869 -1.107 19876 539 1 . 1 1 98 98 GLN CA C 98 58.623 58.623 58.654 -0.031 19876 540 1 . 1 1 98 98 GLN CB C 98 28.001 28.001 27.816 0.185 19876 541 1 . 1 1 98 98 GLN H H 98 8.481 8.481 8.783 -0.302 19876 542 1 . 1 1 99 99 ARG N N 99 119.687 119.687 120.803 -1.116 19876 543 1 . 1 1 99 99 ARG HA H 99 3.922 3.922 4.072 -0.150 19876 544 1 . 1 1 99 99 ARG C C 99 176.055 176.055 178.426 -2.371 19876 545 1 . 1 1 99 99 ARG CA C 99 59.613 59.613 59.317 0.296 19876 546 1 . 1 1 99 99 ARG CB C 99 30.322 30.322 29.933 0.389 19876 547 1 . 1 1 99 99 ARG H H 99 7.836 7.836 8.142 -0.306 19876 548 1 . 1 1 100 100 TRP N N 100 119.762 119.762 122.104 -2.342 19876 549 1 . 1 1 100 100 TRP HA H 100 4.229 4.229 4.538 -0.309 19876 550 1 . 1 1 100 100 TRP C C 100 176.004 176.004 178.704 -2.700 19876 551 1 . 1 1 100 100 TRP CA C 100 62.005 62.005 61.598 0.407 19876 552 1 . 1 1 100 100 TRP CB C 100 28.948 28.948 29.108 -0.160 19876 553 1 . 1 1 100 100 TRP H H 100 7.731 7.731 8.719 -0.988 19876 554 1 . 1 1 101 101 GLN N N 101 115.464 115.464 116.941 -1.477 19876 555 1 . 1 1 101 101 GLN HA H 101 3.485 3.485 3.756 -0.271 19876 556 1 . 1 1 101 101 GLN C C 101 177.498 177.498 178.713 -1.214 19876 557 1 . 1 1 101 101 GLN CA C 101 59.164 59.164 59.537 -0.373 19876 558 1 . 1 1 101 101 GLN CB C 101 28.082 28.082 28.144 -0.062 19876 559 1 . 1 1 101 101 GLN H H 101 8.277 8.277 8.785 -0.508 19876 560 1 . 1 1 102 102 LYS N N 102 119.856 119.856 119.871 -0.015 19876 561 1 . 1 1 102 102 LYS HA H 102 3.912 3.912 4.006 -0.094 19876 562 1 . 1 1 102 102 LYS C C 102 178.364 178.364 179.167 -0.803 19876 563 1 . 1 1 102 102 LYS CA C 102 59.179 59.179 59.647 -0.468 19876 564 1 . 1 1 102 102 LYS CB C 102 31.825 31.825 32.275 -0.450 19876 565 1 . 1 1 102 102 LYS H H 102 8.047 8.047 8.360 -0.313 19876 566 1 . 1 1 103 103 THR N N 103 121.217 121.217 116.331 4.886 19876 567 1 . 1 1 103 103 THR HA H 103 3.658 3.658 3.886 -0.228 19876 568 1 . 1 1 103 103 THR C C 103 174.266 174.266 176.265 -1.999 19876 569 1 . 1 1 103 103 THR CA C 103 66.206 66.206 66.843 -0.637 19876 570 1 . 1 1 103 103 THR CB C 103 67.515 67.515 68.476 -0.961 19876 571 1 . 1 1 103 103 THR H H 103 8.816 8.816 8.536 0.280 19876 572 1 . 1 1 104 104 LYS N N 104 122.265 122.265 120.816 1.449 19876 573 1 . 1 1 104 104 LYS HA H 104 3.051 3.051 3.257 -0.206 19876 574 1 . 1 1 104 104 LYS C C 104 176.952 176.952 178.701 -1.748 19876 575 1 . 1 1 104 104 LYS CA C 104 60.520 60.520 59.038 1.482 19876 576 1 . 1 1 104 104 LYS CB C 104 30.340 30.340 31.055 -0.715 19876 577 1 . 1 1 104 104 LYS H H 104 8.258 8.258 7.997 0.261 19876 578 1 . 1 1 105 105 GLU N N 105 118.912 118.912 119.558 -0.646 19876 579 1 . 1 1 105 105 GLU HA H 105 3.598 3.598 3.871 -0.273 19876 580 1 . 1 1 105 105 GLU C C 105 178.038 178.038 179.066 -1.028 19876 581 1 . 1 1 105 105 GLU CA C 105 59.518 59.518 59.280 0.238 19876 582 1 . 1 1 105 105 GLU CB C 105 29.032 29.032 29.046 -0.014 19876 583 1 . 1 1 105 105 GLU H H 105 7.963 7.963 7.841 0.122 19876 584 1 . 1 1 106 106 ARG N N 106 120.201 120.201 119.516 0.685 19876 585 1 . 1 1 106 106 ARG HA H 106 3.696 3.696 3.951 -0.255 19876 586 1 . 1 1 106 106 ARG C C 106 177.744 177.744 178.919 -1.175 19876 587 1 . 1 1 106 106 ARG CA C 106 59.994 59.994 59.212 0.783 19876 588 1 . 1 1 106 106 ARG CB C 106 30.788 30.788 30.009 0.779 19876 589 1 . 1 1 106 106 ARG H H 106 7.940 7.940 8.259 -0.319 19876 590 1 . 1 1 107 107 LEU N N 107 120.982 120.982 120.264 0.718 19876 591 1 . 1 1 107 107 LEU HA H 107 3.745 3.745 3.906 -0.161 19876 592 1 . 1 1 107 107 LEU C C 107 176.173 176.173 178.760 -2.587 19876 593 1 . 1 1 107 107 LEU CA C 107 57.437 57.437 58.017 -0.580 19876 594 1 . 1 1 107 107 LEU CB C 107 40.869 40.869 41.503 -0.634 19876 595 1 . 1 1 107 107 LEU H H 107 8.242 8.242 8.166 0.076 19876 596 1 . 1 1 108 108 PHE N N 108 117.793 117.793 117.949 -0.156 19876 597 1 . 1 1 108 108 PHE HA H 108 4.002 4.002 4.307 -0.305 19876 598 1 . 1 1 108 108 PHE C C 108 177.654 177.654 177.859 -0.205 19876 599 1 . 1 1 108 108 PHE CA C 108 61.189 61.189 61.680 -0.491 19876 600 1 . 1 1 108 108 PHE CB C 108 36.785 36.785 38.254 -1.469 19876 601 1 . 1 1 108 108 PHE H H 108 8.772 8.772 8.512 0.260 19876 602 1 . 1 1 109 109 ARG N N 109 121.726 121.726 118.935 2.791 19876 603 1 . 1 1 109 109 ARG HA H 109 4.006 4.006 4.042 -0.036 19876 604 1 . 1 1 109 109 ARG C C 109 177.785 177.785 178.466 -0.681 19876 605 1 . 1 1 109 109 ARG CA C 109 59.342 59.342 58.601 0.741 19876 606 1 . 1 1 109 109 ARG CB C 109 29.798 29.798 29.524 0.274 19876 607 1 . 1 1 109 109 ARG H H 109 7.865 7.865 8.150 -0.285 19876 608 1 . 1 1 110 110 LEU N N 110 121.486 121.486 119.425 2.061 19876 609 1 . 1 1 110 110 LEU HA H 110 4.094 4.094 3.987 0.107 19876 610 1 . 1 1 110 110 LEU C C 110 178.537 178.537 178.882 -0.345 19876 611 1 . 1 1 110 110 LEU CA C 110 57.841 57.841 57.800 0.041 19876 612 1 . 1 1 110 110 LEU CB C 110 40.821 40.821 41.624 -0.803 19876 613 1 . 1 1 110 110 LEU H H 110 7.338 7.338 7.681 -0.343 19876 614 1 . 1 1 111 111 PHE N N 111 115.883 115.883 117.791 -1.908 19876 615 1 . 1 1 111 111 PHE HA H 111 4.316 4.316 4.159 0.157 19876 616 1 . 1 1 111 111 PHE C C 111 175.369 175.369 177.513 -2.144 19876 617 1 . 1 1 111 111 PHE CA C 111 59.079 59.079 60.523 -1.444 19876 618 1 . 1 1 111 111 PHE CB C 111 38.511 38.511 38.249 0.262 19876 619 1 . 1 1 111 111 PHE H H 111 7.584 7.584 8.370 -0.786 19876 620 1 . 1 1 112 112 SER N N 112 111.693 111.693 113.175 -1.482 19876 621 1 . 1 1 112 112 SER HA H 112 4.329 4.329 4.415 -0.086 19876 622 1 . 1 1 112 112 SER C C 112 173.353 173.353 175.139 -1.786 19876 623 1 . 1 1 112 112 SER CA C 112 59.050 59.050 59.570 -0.520 19876 624 1 . 1 1 112 112 SER CB C 112 63.841 63.841 63.522 0.319 19876 625 1 . 1 1 112 112 SER H H 112 7.554 7.554 8.159 -0.605 19876 626 1 . 1 1 113 113 GLY N N 113 109.665 109.665 108.251 1.414 19876 627 1 . 1 1 113 113 GLY C C 113 173.407 173.407 174.578 -1.171 19876 628 1 . 1 1 113 113 GLY CA C 113 45.374 45.374 44.991 0.384 19876 629 1 . 1 1 113 113 GLY H H 113 7.781 7.781 7.736 0.045 19876 630 1 . 1 1 114 114 GLU N N 114 121.028 121.028 121.632 -0.604 19876 631 1 . 1 1 114 114 GLU HA H 114 4.002 4.002 4.063 -0.061 19876 632 1 . 1 1 114 114 GLU C C 114 175.971 175.971 177.423 -1.452 19876 633 1 . 1 1 114 114 GLU CA C 114 58.310 58.310 57.419 0.891 19876 634 1 . 1 1 114 114 GLU CB C 114 30.164 30.164 29.616 0.548 19876 635 1 . 1 1 114 114 GLU H H 114 8.414 8.414 8.108 0.305 19876 636 1 . 1 1 115 115 TYR N N 115 118.828 118.828 116.380 2.448 19876 637 1 . 1 1 115 115 TYR HA H 115 4.312 4.312 4.555 -0.243 19876 638 1 . 1 1 115 115 TYR C C 115 175.248 175.248 178.341 -3.093 19876 639 1 . 1 1 115 115 TYR CA C 115 59.734 59.734 59.455 0.279 19876 640 1 . 1 1 115 115 TYR CB C 115 38.371 38.371 38.252 0.119 19876 641 1 . 1 1 115 115 TYR H H 115 7.939 7.939 7.422 0.517 19876 642 1 . 1 1 116 116 ILE N N 116 120.412 120.412 120.568 -0.156 19876 643 1 . 1 1 116 116 ILE HA H 116 3.743 3.743 3.607 0.136 19876 644 1 . 1 1 116 116 ILE C C 116 175.591 175.591 177.968 -2.377 19876 645 1 . 1 1 116 116 ILE CA C 116 62.136 62.136 64.065 -1.929 19876 646 1 . 1 1 116 116 ILE CB C 116 37.227 37.227 36.358 0.869 19876 647 1 . 1 1 116 116 ILE H H 116 7.892 7.892 7.840 0.052 19876 648 1 . 1 1 117 117 SER N N 117 117.142 117.142 113.969 3.173 19876 649 1 . 1 1 117 117 SER HA H 117 4.141 4.141 4.128 0.013 19876 650 1 . 1 1 117 117 SER C C 117 174.795 174.795 176.145 -1.350 19876 651 1 . 1 1 117 117 SER CA C 117 60.437 60.437 61.555 -1.118 19876 652 1 . 1 1 117 117 SER CB C 117 62.987 62.987 62.579 0.408 19876 653 1 . 1 1 117 117 SER H H 117 8.127 8.127 8.476 -0.349 19876 654 1 . 1 1 118 118 THR N N 118 115.779 115.779 115.187 0.593 19876 655 1 . 1 1 118 118 THR HA H 118 3.987 3.987 4.163 -0.176 19876 656 1 . 1 1 118 118 THR C C 118 174.025 174.025 176.063 -2.038 19876 657 1 . 1 1 118 118 THR CA C 118 64.026 64.026 64.316 -0.290 19876 658 1 . 1 1 118 118 THR CB C 118 68.953 68.953 69.025 -0.072 19876 659 1 . 1 1 118 118 THR H H 118 7.872 7.872 7.465 0.407 19876 660 1 . 1 1 119 119 LEU N N 119 122.845 122.845 122.546 0.299 19876 661 1 . 1 1 119 119 LEU HA H 119 4.048 4.048 3.959 0.088 19876 662 1 . 1 1 119 119 LEU C C 119 176.246 176.246 177.216 -0.970 19876 663 1 . 1 1 119 119 LEU CA C 119 56.081 56.081 57.429 -1.348 19876 664 1 . 1 1 119 119 LEU CB C 119 42.205 42.205 42.508 -0.302 19876 665 1 . 1 1 119 119 LEU H H 119 7.679 7.679 7.914 -0.235 19876 666 1 . 1 1 120 120 MET N N 120 117.447 117.447 114.450 2.997 19876 667 1 . 1 1 120 120 MET HA H 120 4.243 4.243 4.549 -0.306 19876 668 1 . 1 1 120 120 MET C C 120 174.594 174.594 176.146 -1.552 19876 669 1 . 1 1 120 120 MET CA C 120 55.470 55.470 55.425 0.045 19876 670 1 . 1 1 120 120 MET CB C 120 32.606 32.606 31.913 0.693 19876 671 1 . 1 1 120 120 MET H H 120 7.812 7.812 8.172 -0.360 19876 672 1 . 1 1 121 121 LYS N N 121 121.578 121.578 122.001 -0.423 19876 673 1 . 1 1 121 121 LYS HA H 121 4.235 4.235 4.237 -0.002 19876 674 1 . 1 1 121 121 LYS C C 121 174.539 174.539 177.107 -2.568 19876 675 1 . 1 1 121 121 LYS CA C 121 56.481 56.481 57.868 -1.387 19876 676 1 . 1 1 121 121 LYS CB C 121 32.966 32.966 33.055 -0.089 19876 677 1 . 1 1 121 121 LYS H H 121 7.790 7.790 8.210 -0.420 19876 stop_ save_