data_18715 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18715 _Entry.PDB_ID 2LYA 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 18715 _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 3 3 ALA N N 3 123.842 123.842 125.746 -1.904 18715 2 1 1 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.595 -0.267 18715 3 1 1 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.687 0.850 18715 4 1 1 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.210 -1.959 18715 5 1 1 . 1 1 3 3 ALA H H 3 8.183 8.183 8.171 0.012 18715 6 1 1 . 1 1 4 4 ARG N N 4 120.165 120.165 124.824 -4.659 18715 7 1 1 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.472 -0.216 18715 8 1 1 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.710 0.255 18715 9 1 1 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.136 -0.175 18715 10 1 1 . 1 1 4 4 ARG H H 4 8.429 8.429 8.541 -0.112 18715 11 1 1 . 1 1 5 5 ALA N N 5 125.165 125.165 128.989 -3.824 18715 12 1 1 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.547 -0.265 18715 13 1 1 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.562 0.809 18715 14 1 1 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.256 -0.584 18715 15 1 1 . 1 1 5 5 ALA H H 5 8.370 8.370 8.517 -0.147 18715 16 1 1 . 1 1 6 6 SER N N 6 114.540 114.540 118.292 -3.752 18715 17 1 1 . 1 1 6 6 SER HA H 6 4.479 4.479 4.521 -0.042 18715 18 1 1 . 1 1 6 6 SER CA C 6 57.804 57.804 58.477 -0.673 18715 19 1 1 . 1 1 6 6 SER CB C 6 64.034 64.034 64.610 -0.576 18715 20 1 1 . 1 1 6 6 SER H H 6 8.134 8.134 8.597 -0.463 18715 21 1 1 . 1 1 7 7 VAL N N 7 121.415 121.415 120.864 0.551 18715 22 1 1 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.891 -0.274 18715 23 1 1 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.650 2.061 18715 24 1 1 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.171 -0.235 18715 25 1 1 . 1 1 7 7 VAL H H 7 8.119 8.119 7.894 0.225 18715 26 1 1 . 1 1 8 8 LEU N N 8 115.478 115.478 117.811 -2.333 18715 27 1 1 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.831 0.101 18715 28 1 1 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.071 -0.564 18715 29 1 1 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.047 1.256 18715 30 1 1 . 1 1 8 8 LEU H H 8 7.382 7.382 7.471 -0.089 18715 31 1 1 . 1 1 9 9 SER N N 9 118.290 118.290 119.793 -1.503 18715 32 1 1 . 1 1 9 9 SER HA H 9 4.606 4.606 4.358 0.248 18715 33 1 1 . 1 1 9 9 SER CA C 9 57.197 57.197 57.821 -0.624 18715 34 1 1 . 1 1 9 9 SER CB C 9 65.426 65.426 64.702 0.724 18715 35 1 1 . 1 1 9 9 SER H H 9 9.166 9.166 8.819 0.347 18715 36 1 1 . 1 1 10 10 GLY N N 10 109.228 109.228 108.294 0.934 18715 37 1 1 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.007 0.667 18715 38 1 1 . 1 1 10 10 GLY H H 10 8.959 8.959 8.700 0.259 18715 39 1 1 . 1 1 11 11 GLY N N 11 111.102 111.102 109.872 1.230 18715 40 1 1 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.418 0.243 18715 41 1 1 . 1 1 11 11 GLY H H 11 8.782 8.782 7.874 0.908 18715 42 1 1 . 1 1 12 12 GLU N N 12 120.165 120.165 122.117 -1.952 18715 43 1 1 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.993 -0.043 18715 44 1 1 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.779 0.317 18715 45 1 1 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.462 1.828 18715 46 1 1 . 1 1 12 12 GLU H H 12 7.751 7.751 7.583 0.168 18715 47 1 1 . 1 1 13 13 LEU N N 13 121.415 121.415 121.749 -0.334 18715 48 1 1 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.057 0.051 18715 49 1 1 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.281 -0.219 18715 50 1 1 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.752 -0.816 18715 51 1 1 . 1 1 13 13 LEU H H 13 8.340 8.340 8.344 -0.004 18715 52 1 1 . 1 1 14 14 ASP N N 14 116.415 116.415 119.146 -2.731 18715 53 1 1 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.332 0.061 18715 54 1 1 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.616 -0.480 18715 55 1 1 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.747 0.339 18715 56 1 1 . 1 1 14 14 ASP H H 14 7.574 7.574 7.753 -0.179 18715 57 1 1 . 1 1 15 15 LYS N N 15 115.478 115.478 119.789 -4.311 18715 58 1 1 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.067 -0.021 18715 59 1 1 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.269 -0.867 18715 60 1 1 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.416 -0.057 18715 61 1 1 . 1 1 15 15 LYS H H 15 7.117 7.117 7.682 -0.565 18715 62 1 1 . 1 1 16 16 TRP N N 16 121.693 121.693 121.419 0.274 18715 63 1 1 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.170 -0.145 18715 64 1 1 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.503 -0.217 18715 65 1 1 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.617 1.496 18715 66 1 1 . 1 1 16 16 TRP H H 16 8.646 8.646 8.105 0.541 18715 67 1 1 . 1 1 17 17 GLU N N 17 127.710 127.710 116.782 10.928 18715 68 1 1 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.346 0.345 18715 69 1 1 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.928 -2.159 18715 70 1 1 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.402 0.343 18715 71 1 1 . 1 1 17 17 GLU H H 17 7.571 7.571 8.213 -0.642 18715 72 1 1 . 1 1 18 18 LYS N N 18 115.790 115.790 118.699 -2.909 18715 73 1 1 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.193 0.304 18715 74 1 1 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.626 -2.057 18715 75 1 1 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.324 0.615 18715 76 1 1 . 1 1 18 18 LYS H H 18 7.456 7.456 7.369 0.087 18715 77 1 1 . 1 1 19 19 ILE N N 19 124.228 124.228 119.989 4.239 18715 78 1 1 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.095 -0.538 18715 79 1 1 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.661 -0.541 18715 80 1 1 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.744 0.438 18715 81 1 1 . 1 1 19 19 ILE H H 19 7.633 7.633 8.063 -0.430 18715 82 1 1 . 1 1 20 20 ARG N N 20 125.790 125.790 123.646 2.144 18715 83 1 1 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.493 -0.065 18715 84 1 1 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.810 1.685 18715 85 1 1 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.463 0.074 18715 86 1 1 . 1 1 20 20 ARG H H 20 8.031 8.031 7.978 0.053 18715 87 1 1 . 1 1 21 21 LEU N N 21 120.165 120.165 120.999 -0.834 18715 88 1 1 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.822 -0.376 18715 89 1 1 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.204 1.031 18715 90 1 1 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.034 -0.499 18715 91 1 1 . 1 1 21 21 LEU H H 21 7.810 7.810 8.018 -0.208 18715 92 1 1 . 1 1 22 22 ARG N N 22 119.540 119.540 115.465 4.075 18715 93 1 1 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.676 0.169 18715 94 1 1 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.258 -0.414 18715 95 1 1 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.488 -0.871 18715 96 1 1 . 1 1 22 22 ARG H H 22 8.974 8.974 7.589 1.385 18715 97 1 1 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.372 -0.012 18715 98 1 1 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.510 -1.074 18715 99 1 1 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.134 -0.569 18715 100 1 1 . 1 1 24 24 GLY N N 24 112.665 112.665 105.906 6.759 18715 101 1 1 . 1 1 24 24 GLY CA C 24 45.805 45.805 43.975 1.830 18715 102 1 1 . 1 1 24 24 GLY H H 24 9.138 9.138 7.930 1.208 18715 103 1 1 . 1 1 25 25 GLY N N 25 107.978 107.978 108.096 -0.118 18715 104 1 1 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.414 0.158 18715 105 1 1 . 1 1 25 25 GLY H H 25 8.134 8.134 7.351 0.783 18715 106 1 1 . 1 1 26 26 LYS N N 26 117.665 117.665 119.352 -1.687 18715 107 1 1 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.495 -0.231 18715 108 1 1 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.131 0.722 18715 109 1 1 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.828 1.228 18715 110 1 1 . 1 1 26 26 LYS H H 26 8.665 8.665 8.338 0.327 18715 111 1 1 . 1 1 27 27 LYS N N 27 117.925 117.925 120.156 -2.231 18715 112 1 1 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.554 -0.243 18715 113 1 1 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.399 1.812 18715 114 1 1 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.492 -0.614 18715 115 1 1 . 1 1 27 27 LYS H H 27 7.817 7.817 7.679 0.138 18715 116 1 1 . 1 1 28 28 GLN N N 28 122.978 122.978 121.216 1.762 18715 117 1 1 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.271 0.545 18715 118 1 1 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.278 -0.805 18715 119 1 1 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.922 4.132 18715 120 1 1 . 1 1 28 28 GLN H H 28 8.458 8.458 8.309 0.149 18715 121 1 1 . 1 1 29 29 TYR N N 29 119.540 119.540 118.916 0.624 18715 122 1 1 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.508 -0.776 18715 123 1 1 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.960 1.050 18715 124 1 1 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.367 -2.151 18715 125 1 1 . 1 1 29 29 TYR H H 29 7.824 7.824 8.286 -0.462 18715 126 1 1 . 1 1 30 30 LYS N N 30 117.978 117.978 120.882 -2.904 18715 127 1 1 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.876 0.340 18715 128 1 1 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.836 -0.771 18715 129 1 1 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.950 2.638 18715 130 1 1 . 1 1 30 30 LYS H H 30 10.610 10.610 9.053 1.557 18715 131 1 1 . 1 1 31 31 LEU N N 31 128.602 128.602 125.526 3.076 18715 132 1 1 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.070 0.111 18715 133 1 1 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.002 1.232 18715 134 1 1 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.212 -0.210 18715 135 1 1 . 1 1 31 31 LEU H H 31 9.991 9.991 8.935 1.056 18715 136 1 1 . 1 1 32 32 LYS N N 32 115.165 115.165 118.709 -3.544 18715 137 1 1 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.955 0.190 18715 138 1 1 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.499 -0.403 18715 139 1 1 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.991 -0.432 18715 140 1 1 . 1 1 32 32 LYS H H 32 8.399 8.399 8.633 -0.234 18715 141 1 1 . 1 1 33 33 HIS N N 33 119.540 119.540 116.867 2.673 18715 142 1 1 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.717 -0.113 18715 143 1 1 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.139 3.752 18715 144 1 1 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.529 2.255 18715 145 1 1 . 1 1 33 33 HIS H H 33 8.193 8.193 8.026 0.167 18715 146 1 1 . 1 1 34 34 ILE N N 34 119.540 119.540 120.663 -1.123 18715 147 1 1 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.885 -0.091 18715 148 1 1 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.656 -0.808 18715 149 1 1 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.730 -0.751 18715 150 1 1 . 1 1 34 34 ILE H H 34 7.898 7.898 7.599 0.299 18715 151 1 1 . 1 1 35 35 VAL N N 35 122.040 122.040 119.299 2.741 18715 152 1 1 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.857 -0.245 18715 153 1 1 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.186 1.560 18715 154 1 1 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.143 0.999 18715 155 1 1 . 1 1 35 35 VAL H H 35 7.706 7.706 8.493 -0.787 18715 156 1 1 . 1 1 36 36 TRP N N 36 119.986 119.986 122.224 -2.238 18715 157 1 1 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.218 0.015 18715 158 1 1 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.827 0.283 18715 159 1 1 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.273 -0.862 18715 160 1 1 . 1 1 36 36 TRP H H 36 8.452 8.452 7.983 0.469 18715 161 1 1 . 1 1 37 37 ALA N N 37 120.478 120.478 118.462 2.016 18715 162 1 1 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.822 -0.432 18715 163 1 1 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.655 0.458 18715 164 1 1 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.126 -0.696 18715 165 1 1 . 1 1 37 37 ALA H H 37 8.311 8.311 7.972 0.339 18715 166 1 1 . 1 1 38 38 SER N N 38 111.415 111.415 114.955 -3.540 18715 167 1 1 . 1 1 38 38 SER HA H 38 3.906 3.906 4.106 -0.201 18715 168 1 1 . 1 1 38 38 SER CA C 38 62.801 62.801 61.536 1.265 18715 169 1 1 . 1 1 38 38 SER CB C 38 62.829 62.829 62.997 -0.168 18715 170 1 1 . 1 1 38 38 SER H H 38 8.259 8.259 7.624 0.635 18715 171 1 1 . 1 1 39 39 ARG N N 39 119.852 119.852 120.210 -0.358 18715 172 1 1 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.105 0.041 18715 173 1 1 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.940 -0.530 18715 174 1 1 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.309 -0.301 18715 175 1 1 . 1 1 39 39 ARG H H 39 7.559 7.559 7.931 -0.372 18715 176 1 1 . 1 1 40 40 GLU N N 40 121.102 121.102 119.486 1.616 18715 177 1 1 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.908 -0.121 18715 178 1 1 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.109 0.172 18715 179 1 1 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.093 0.581 18715 180 1 1 . 1 1 40 40 GLU H H 40 8.222 8.222 7.355 0.867 18715 181 1 1 . 1 1 41 41 LEU N N 41 117.040 117.040 120.502 -3.462 18715 182 1 1 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.144 -0.191 18715 183 1 1 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.837 0.486 18715 184 1 1 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.097 -1.917 18715 185 1 1 . 1 1 41 41 LEU H H 41 8.016 8.016 7.755 0.261 18715 186 1 1 . 1 1 42 42 GLU N N 42 117.352 117.352 118.814 -1.462 18715 187 1 1 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.074 0.053 18715 188 1 1 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.004 0.567 18715 189 1 1 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.310 0.355 18715 190 1 1 . 1 1 42 42 GLU H H 42 7.559 7.559 7.666 -0.107 18715 191 1 1 . 1 1 43 43 ARG N N 43 119.540 119.540 118.754 0.786 18715 192 1 1 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.015 0.027 18715 193 1 1 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.105 0.385 18715 194 1 1 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.036 -0.371 18715 195 1 1 . 1 1 43 43 ARG H H 43 7.647 7.647 7.482 0.165 18715 196 1 1 . 1 1 44 44 PHE N N 44 117.665 117.665 118.525 -0.860 18715 197 1 1 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.664 -0.050 18715 198 1 1 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.566 0.792 18715 199 1 1 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.243 0.923 18715 200 1 1 . 1 1 44 44 PHE H H 44 7.529 7.529 7.607 -0.078 18715 201 1 1 . 1 1 45 45 ALA N N 45 118.915 118.915 119.988 -1.073 18715 202 1 1 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.932 0.083 18715 203 1 1 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.383 0.031 18715 204 1 1 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.062 -0.783 18715 205 1 1 . 1 1 45 45 ALA H H 45 7.928 7.928 7.724 0.204 18715 206 1 1 . 1 1 46 46 VAL N N 46 119.540 119.540 118.808 0.732 18715 207 1 1 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.145 -0.050 18715 208 1 1 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.145 -0.324 18715 209 1 1 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.720 0.646 18715 210 1 1 . 1 1 46 46 VAL H H 46 7.765 7.765 7.694 0.071 18715 211 1 1 . 1 1 47 47 ASN N N 47 125.790 125.790 127.435 -1.645 18715 212 1 1 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.702 -0.056 18715 213 1 1 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.261 -1.264 18715 214 1 1 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.647 0.439 18715 215 1 1 . 1 1 47 47 ASN H H 47 8.399 8.399 8.924 -0.525 18715 216 1 1 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.422 -0.200 18715 217 1 1 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.625 -0.311 18715 218 1 1 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.944 -0.204 18715 219 1 1 . 1 1 49 49 GLY N N 49 108.290 108.290 107.584 0.706 18715 220 1 1 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.245 0.285 18715 221 1 1 . 1 1 49 49 GLY H H 49 8.620 8.620 8.646 -0.026 18715 222 1 1 . 1 1 50 50 LEU N N 50 121.728 121.728 121.496 0.232 18715 223 1 1 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.140 0.006 18715 224 1 1 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.092 1.149 18715 225 1 1 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.789 -0.226 18715 226 1 1 . 1 1 50 50 LEU H H 50 7.765 7.765 7.519 0.246 18715 227 1 1 . 1 1 51 51 LEU N N 51 112.040 112.040 117.771 -5.731 18715 228 1 1 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.145 0.093 18715 229 1 1 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.063 -0.556 18715 230 1 1 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.942 0.548 18715 231 1 1 . 1 1 51 51 LEU H H 51 7.412 7.412 7.635 -0.223 18715 232 1 1 . 1 1 52 52 GLU N N 52 114.540 114.540 113.773 0.767 18715 233 1 1 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.385 -0.330 18715 234 1 1 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.183 3.201 18715 235 1 1 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.510 1.548 18715 236 1 1 . 1 1 52 52 GLU H H 52 7.500 7.500 7.520 -0.020 18715 237 1 1 . 1 1 53 53 THR N N 53 122.978 122.978 112.733 10.245 18715 238 1 1 . 1 1 53 53 THR HA H 53 4.402 4.402 4.525 -0.123 18715 239 1 1 . 1 1 53 53 THR CA C 53 58.306 58.306 60.465 -2.159 18715 240 1 1 . 1 1 53 53 THR CB C 53 73.222 73.222 72.016 1.206 18715 241 1 1 . 1 1 53 53 THR H H 53 7.235 7.235 7.677 -0.442 18715 242 1 1 . 1 1 54 54 SER N N 54 119.228 119.228 122.330 -3.102 18715 243 1 1 . 1 1 54 54 SER HA H 54 4.043 4.043 4.325 -0.282 18715 244 1 1 . 1 1 54 54 SER CA C 54 62.657 62.657 61.648 1.008 18715 245 1 1 . 1 1 54 54 SER CB C 54 62.562 62.562 62.816 -0.254 18715 246 1 1 . 1 1 54 54 SER H H 54 9.313 9.313 8.919 0.394 18715 247 1 1 . 1 1 55 55 GLU N N 55 121.233 121.233 121.195 0.038 18715 248 1 1 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.326 -0.257 18715 249 1 1 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.323 1.352 18715 250 1 1 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.615 -0.616 18715 251 1 1 . 1 1 55 55 GLU H H 55 8.975 8.975 8.626 0.349 18715 252 1 1 . 1 1 56 56 GLY N N 56 110.790 110.790 108.908 1.882 18715 253 1 1 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.396 0.470 18715 254 1 1 . 1 1 56 56 GLY H H 56 8.517 8.517 8.158 0.359 18715 255 1 1 . 1 1 57 57 CYS N N 57 118.602 118.602 120.757 -2.155 18715 256 1 1 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.092 -0.072 18715 257 1 1 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.552 1.050 18715 258 1 1 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.001 20.794 18715 259 1 1 . 1 1 57 57 CYS H H 57 8.122 8.122 7.944 0.178 18715 260 1 1 . 1 1 58 58 ARG N N 58 119.540 119.540 117.648 1.892 18715 261 1 1 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.508 0.042 18715 262 1 1 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.273 0.434 18715 263 1 1 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.941 -0.492 18715 264 1 1 . 1 1 58 58 ARG H H 58 8.488 8.488 7.901 0.587 18715 265 1 1 . 1 1 59 59 GLN N N 59 119.852 119.852 118.222 1.630 18715 266 1 1 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.114 -0.062 18715 267 1 1 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.640 0.760 18715 268 1 1 . 1 1 59 59 GLN CB C 59 28.234 28.234 29.174 -0.940 18715 269 1 1 . 1 1 59 59 GLN H H 59 8.016 8.016 7.560 0.456 18715 270 1 1 . 1 1 60 60 ILE N N 60 120.790 120.790 121.081 -0.291 18715 271 1 1 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.644 -0.033 18715 272 1 1 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.333 0.257 18715 273 1 1 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.834 0.016 18715 274 1 1 . 1 1 60 60 ILE H H 60 8.163 8.163 8.408 -0.245 18715 275 1 1 . 1 1 61 61 LEU N N 61 118.915 118.915 117.969 0.946 18715 276 1 1 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.124 -0.229 18715 277 1 1 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.340 1.314 18715 278 1 1 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.228 -0.452 18715 279 1 1 . 1 1 61 61 LEU H H 61 8.370 8.370 8.579 -0.209 18715 280 1 1 . 1 1 62 62 GLY N N 62 104.332 104.332 107.209 -2.877 18715 281 1 1 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.735 0.449 18715 282 1 1 . 1 1 62 62 GLY H H 62 7.883 7.883 7.883 0.000 18715 283 1 1 . 1 1 63 63 GLN N N 63 119.852 119.852 119.068 0.784 18715 284 1 1 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.224 -0.072 18715 285 1 1 . 1 1 63 63 GLN CA C 63 57.994 57.994 58.233 -0.239 18715 286 1 1 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.071 0.128 18715 287 1 1 . 1 1 63 63 GLN H H 63 7.795 7.795 7.513 0.282 18715 288 1 1 . 1 1 64 64 LEU N N 64 117.040 117.040 119.546 -2.506 18715 289 1 1 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.095 0.186 18715 290 1 1 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.603 -0.502 18715 291 1 1 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.883 2.360 18715 292 1 1 . 1 1 64 64 LEU H H 64 8.252 8.252 7.444 0.808 18715 293 1 1 . 1 1 65 65 GLN N N 65 118.915 118.915 119.674 -0.759 18715 294 1 1 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.874 -0.095 18715 295 1 1 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.466 1.081 18715 296 1 1 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.381 -0.517 18715 297 1 1 . 1 1 65 65 GLN H H 65 8.104 8.104 8.339 -0.235 18715 298 1 1 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.364 0.019 18715 299 1 1 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.911 1.006 18715 300 1 1 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.162 -0.063 18715 301 1 1 . 1 1 67 67 SER N N 67 111.415 111.415 113.376 -1.961 18715 302 1 1 . 1 1 67 67 SER HA H 67 4.493 4.493 4.349 0.144 18715 303 1 1 . 1 1 67 67 SER CA C 67 59.696 59.696 60.117 -0.421 18715 304 1 1 . 1 1 67 67 SER CB C 67 64.031 64.031 63.027 1.004 18715 305 1 1 . 1 1 67 67 SER H H 67 7.824 7.824 7.551 0.273 18715 306 1 1 . 1 1 68 68 LEU N N 68 121.102 121.102 121.829 -0.727 18715 307 1 1 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.815 0.001 18715 308 1 1 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.938 0.010 18715 309 1 1 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.302 0.467 18715 310 1 1 . 1 1 68 68 LEU H H 68 7.647 7.647 7.956 -0.309 18715 311 1 1 . 1 1 69 69 GLN N N 69 116.415 116.415 119.204 -2.789 18715 312 1 1 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.077 -0.008 18715 313 1 1 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.453 0.017 18715 314 1 1 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.829 -0.401 18715 315 1 1 . 1 1 69 69 GLN H H 69 8.060 8.060 8.459 -0.399 18715 316 1 1 . 1 1 70 70 THR N N 70 106.728 106.728 109.522 -2.794 18715 317 1 1 . 1 1 70 70 THR HA H 70 4.481 4.481 4.553 -0.072 18715 318 1 1 . 1 1 70 70 THR CA C 70 61.291 61.291 60.464 0.827 18715 319 1 1 . 1 1 70 70 THR CB C 70 69.415 69.415 68.647 0.768 18715 320 1 1 . 1 1 70 70 THR H H 70 7.515 7.515 7.713 -0.198 18715 321 1 1 . 1 1 71 71 GLY N N 71 109.540 109.540 109.928 -0.388 18715 322 1 1 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.002 1.551 18715 323 1 1 . 1 1 71 71 GLY H H 71 7.692 7.692 7.343 0.349 18715 324 1 1 . 1 1 72 72 SER N N 72 114.540 114.540 115.149 -0.609 18715 325 1 1 . 1 1 72 72 SER HA H 72 4.625 4.625 4.631 -0.006 18715 326 1 1 . 1 1 72 72 SER CA C 72 57.319 57.319 56.930 0.389 18715 327 1 1 . 1 1 72 72 SER CB C 72 64.599 64.599 64.996 -0.397 18715 328 1 1 . 1 1 72 72 SER H H 72 8.045 8.045 7.975 0.070 18715 329 1 1 . 1 1 73 73 GLU N N 73 124.228 124.228 120.760 3.468 18715 330 1 1 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.030 0.057 18715 331 1 1 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.788 -0.408 18715 332 1 1 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.642 -0.340 18715 333 1 1 . 1 1 73 73 GLU H H 73 9.092 9.092 8.958 0.134 18715 334 1 1 . 1 1 74 74 GLU N N 74 120.165 120.165 119.292 0.873 18715 335 1 1 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.379 -0.090 18715 336 1 1 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.545 0.683 18715 337 1 1 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.614 -0.152 18715 338 1 1 . 1 1 74 74 GLU H H 74 8.665 8.665 7.902 0.763 18715 339 1 1 . 1 1 75 75 LEU N N 75 121.415 121.415 120.320 1.095 18715 340 1 1 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.031 0.130 18715 341 1 1 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.139 -0.186 18715 342 1 1 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.012 -0.744 18715 343 1 1 . 1 1 75 75 LEU H H 75 7.765 7.765 7.691 0.074 18715 344 1 1 . 1 1 76 76 ARG N N 76 119.228 119.228 119.121 0.107 18715 345 1 1 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.013 -0.080 18715 346 1 1 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.044 -0.361 18715 347 1 1 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.260 -1.063 18715 348 1 1 . 1 1 76 76 ARG H H 76 7.868 7.868 8.268 -0.400 18715 349 1 1 . 1 1 77 77 SER N N 77 114.228 114.228 115.941 -1.713 18715 350 1 1 . 1 1 77 77 SER HA H 77 4.263 4.263 4.198 0.065 18715 351 1 1 . 1 1 77 77 SER CA C 77 62.668 62.668 62.648 0.020 18715 352 1 1 . 1 1 77 77 SER CB C 77 62.849 62.849 62.871 -0.022 18715 353 1 1 . 1 1 77 77 SER H H 77 8.576 8.576 8.219 0.357 18715 354 1 1 . 1 1 78 78 LEU N N 78 125.790 125.790 123.210 2.580 18715 355 1 1 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.298 0.123 18715 356 1 1 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.131 0.831 18715 357 1 1 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.301 0.742 18715 358 1 1 . 1 1 78 78 LEU H H 78 8.458 8.458 8.186 0.272 18715 359 1 1 . 1 1 79 79 TYR N N 79 119.852 119.852 119.609 0.243 18715 360 1 1 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.079 -0.418 18715 361 1 1 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.689 1.113 18715 362 1 1 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.345 0.849 18715 363 1 1 . 1 1 79 79 TYR H H 79 8.694 8.694 8.096 0.598 18715 364 1 1 . 1 1 80 80 ASN N N 80 117.040 117.040 117.275 -0.235 18715 365 1 1 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.487 -0.203 18715 366 1 1 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.237 -0.451 18715 367 1 1 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.022 -0.183 18715 368 1 1 . 1 1 80 80 ASN H H 80 8.871 8.871 7.937 0.934 18715 369 1 1 . 1 1 81 81 THR N N 81 115.790 115.790 118.695 -2.905 18715 370 1 1 . 1 1 81 81 THR HA H 81 3.945 3.945 4.336 -0.391 18715 371 1 1 . 1 1 81 81 THR CA C 81 67.855 67.855 66.856 0.999 18715 372 1 1 . 1 1 81 81 THR CB C 81 69.140 69.140 68.963 0.177 18715 373 1 1 . 1 1 81 81 THR H H 81 8.119 8.119 8.129 -0.010 18715 374 1 1 . 1 1 82 82 ILE N N 82 121.102 121.102 120.844 0.258 18715 375 1 1 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.836 -0.168 18715 376 1 1 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.063 -0.543 18715 377 1 1 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.263 -0.777 18715 378 1 1 . 1 1 82 82 ILE H H 82 8.090 8.090 8.820 -0.730 18715 379 1 1 . 1 1 83 83 ALA N N 83 125.165 125.165 122.880 2.285 18715 380 1 1 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.963 -0.072 18715 381 1 1 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.093 0.762 18715 382 1 1 . 1 1 83 83 ALA CB C 83 17.848 17.848 18.102 -0.254 18715 383 1 1 . 1 1 83 83 ALA H H 83 8.782 8.782 7.298 1.484 18715 384 1 1 . 1 1 84 84 VAL N N 84 117.665 117.665 119.765 -2.100 18715 385 1 1 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.634 -0.306 18715 386 1 1 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.497 0.968 18715 387 1 1 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.849 -0.154 18715 388 1 1 . 1 1 84 84 VAL H H 84 7.795 7.795 7.626 0.169 18715 389 1 1 . 1 1 85 85 LEU N N 85 122.040 122.040 119.929 2.111 18715 390 1 1 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.931 -0.116 18715 391 1 1 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.982 0.328 18715 392 1 1 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.628 0.520 18715 393 1 1 . 1 1 85 85 LEU H H 85 8.163 8.163 8.287 -0.124 18715 394 1 1 . 1 1 86 86 TYR N N 86 118.915 118.915 120.037 -1.122 18715 395 1 1 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.062 -0.150 18715 396 1 1 . 1 1 86 86 TYR CA C 86 62.818 62.818 60.724 2.094 18715 397 1 1 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.862 0.425 18715 398 1 1 . 1 1 86 86 TYR H H 86 9.062 9.062 7.448 1.614 18715 399 1 1 . 1 1 87 87 CYS N N 87 116.102 116.102 116.865 -0.763 18715 400 1 1 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.633 0.161 18715 401 1 1 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.924 2.042 18715 402 1 1 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.389 19.168 18715 403 1 1 . 1 1 87 87 CYS H H 87 7.515 7.515 7.992 -0.477 18715 404 1 1 . 1 1 88 88 VAL N N 88 119.978 119.978 118.366 1.612 18715 405 1 1 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.790 0.088 18715 406 1 1 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.607 0.839 18715 407 1 1 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.047 0.450 18715 408 1 1 . 1 1 88 88 VAL H H 88 8.448 8.448 7.634 0.814 18715 409 1 1 . 1 1 89 89 HIS N N 89 118.915 118.915 116.012 2.903 18715 410 1 1 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.646 0.229 18715 411 1 1 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.440 0.680 18715 412 1 1 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.520 -0.437 18715 413 1 1 . 1 1 89 89 HIS H H 89 8.797 8.797 7.501 1.296 18715 414 1 1 . 1 1 90 90 GLN N N 90 116.728 116.728 117.934 -1.206 18715 415 1 1 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.384 0.001 18715 416 1 1 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.212 1.077 18715 417 1 1 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.164 2.788 18715 418 1 1 . 1 1 90 90 GLN H H 90 7.986 7.986 7.345 0.641 18715 419 1 1 . 1 1 91 91 ARG N N 91 115.165 115.165 114.815 0.350 18715 420 1 1 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.896 0.117 18715 421 1 1 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.038 0.145 18715 422 1 1 . 1 1 91 91 ARG CB C 91 26.049 26.049 26.900 -0.851 18715 423 1 1 . 1 1 91 91 ARG H H 91 7.883 7.883 7.722 0.161 18715 424 1 1 . 1 1 92 92 ILE N N 92 120.087 120.087 119.682 0.405 18715 425 1 1 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.076 -0.091 18715 426 1 1 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.939 -0.283 18715 427 1 1 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.243 -0.313 18715 428 1 1 . 1 1 92 92 ILE H H 92 8.335 8.335 8.054 0.281 18715 429 1 1 . 1 1 93 93 ASP N N 93 129.228 129.228 125.970 3.258 18715 430 1 1 . 1 1 93 93 ASP HA H 93 4.485 4.485 5.040 -0.555 18715 431 1 1 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.217 1.826 18715 432 1 1 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.373 -1.977 18715 433 1 1 . 1 1 93 93 ASP H H 93 8.620 8.620 8.454 0.166 18715 434 1 1 . 1 1 94 94 VAL N N 94 115.790 115.790 117.499 -1.709 18715 435 1 1 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.675 -0.042 18715 436 1 1 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.134 -0.014 18715 437 1 1 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.102 1.410 18715 438 1 1 . 1 1 94 94 VAL H H 94 7.751 7.751 8.160 -0.409 18715 439 1 1 . 1 1 95 95 LYS N N 95 118.915 118.915 119.190 -0.275 18715 440 1 1 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.522 -0.129 18715 441 1 1 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.002 -0.331 18715 442 1 1 . 1 1 95 95 LYS CB C 95 34.008 34.008 35.208 -1.200 18715 443 1 1 . 1 1 95 95 LYS H H 95 9.239 9.239 8.718 0.521 18715 444 1 1 . 1 1 96 96 ASP N N 96 112.040 112.040 114.003 -1.963 18715 445 1 1 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.389 0.173 18715 446 1 1 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.791 0.037 18715 447 1 1 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.151 1.453 18715 448 1 1 . 1 1 96 96 ASP H H 96 7.412 7.412 7.595 -0.183 18715 449 1 1 . 1 1 97 97 THR N N 97 109.540 109.540 114.371 -4.831 18715 450 1 1 . 1 1 97 97 THR HA H 97 3.661 3.661 4.129 -0.468 18715 451 1 1 . 1 1 97 97 THR CA C 97 65.947 65.947 66.666 -0.719 18715 452 1 1 . 1 1 97 97 THR CB C 97 70.285 70.285 69.086 1.199 18715 453 1 1 . 1 1 97 97 THR H H 97 7.250 7.250 8.204 -0.954 18715 454 1 1 . 1 1 98 98 LYS N N 98 121.102 121.102 122.479 -1.377 18715 455 1 1 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.972 -0.027 18715 456 1 1 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.826 -0.198 18715 457 1 1 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.944 -0.017 18715 458 1 1 . 1 1 98 98 LYS H H 98 7.868 7.868 8.527 -0.659 18715 459 1 1 . 1 1 99 99 GLU N N 99 119.228 119.228 118.827 0.401 18715 460 1 1 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.080 -0.003 18715 461 1 1 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.286 0.509 18715 462 1 1 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.813 0.433 18715 463 1 1 . 1 1 99 99 GLU H H 99 8.384 8.384 8.423 -0.039 18715 464 1 1 . 1 1 100 100 ALA N N 100 118.915 118.915 123.008 -4.093 18715 465 1 1 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.057 0.329 18715 466 1 1 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.015 0.381 18715 467 1 1 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.466 1.293 18715 468 1 1 . 1 1 100 100 ALA H H 100 7.382 7.382 7.467 -0.085 18715 469 1 1 . 1 1 101 101 LEU N N 101 117.978 117.978 118.102 -0.124 18715 470 1 1 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.864 0.156 18715 471 1 1 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.181 -0.206 18715 472 1 1 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.677 -0.184 18715 473 1 1 . 1 1 101 101 LEU H H 101 8.119 8.119 8.589 -0.470 18715 474 1 1 . 1 1 102 102 ASP N N 102 120.478 120.478 118.697 1.781 18715 475 1 1 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.394 -0.027 18715 476 1 1 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.713 -0.361 18715 477 1 1 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.624 -0.902 18715 478 1 1 . 1 1 102 102 ASP H H 102 8.679 8.679 7.769 0.910 18715 479 1 1 . 1 1 103 103 LYS N N 103 120.165 120.165 118.755 1.410 18715 480 1 1 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.104 0.060 18715 481 1 1 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.075 -0.711 18715 482 1 1 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.299 -0.767 18715 483 1 1 . 1 1 103 103 LYS H H 103 8.207 8.207 7.683 0.524 18715 484 1 1 . 1 1 104 104 ILE N N 104 119.852 119.852 119.168 0.684 18715 485 1 1 . 1 1 104 104 ILE HA H 104 3.810 3.810 4.017 -0.207 18715 486 1 1 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.542 0.066 18715 487 1 1 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.292 -0.858 18715 488 1 1 . 1 1 104 104 ILE H H 104 8.163 8.163 7.714 0.449 18715 489 1 1 . 1 1 105 105 GLU N N 105 121.415 121.415 121.455 -0.040 18715 490 1 1 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.022 0.013 18715 491 1 1 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.831 -0.197 18715 492 1 1 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.887 2.869 18715 493 1 1 . 1 1 105 105 GLU H H 105 8.001 8.001 8.061 -0.060 18715 494 1 1 . 1 1 106 106 GLU N N 106 119.228 119.228 119.150 0.078 18715 495 1 1 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.097 -0.007 18715 496 1 1 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.455 -0.188 18715 497 1 1 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.765 -0.168 18715 498 1 1 . 1 1 106 106 GLU H H 106 8.031 8.031 8.413 -0.382 18715 499 1 1 . 1 1 107 107 GLU N N 107 118.915 118.915 118.625 0.290 18715 500 1 1 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.074 -0.001 18715 501 1 1 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.374 -0.034 18715 502 1 1 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.636 0.234 18715 503 1 1 . 1 1 107 107 GLU H H 107 8.016 8.016 7.658 0.358 18715 504 1 1 . 1 1 108 108 GLN N N 108 118.290 118.290 118.052 0.238 18715 505 1 1 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.188 -0.041 18715 506 1 1 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.102 0.305 18715 507 1 1 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.742 0.103 18715 508 1 1 . 1 1 108 108 GLN H H 108 8.252 8.252 7.569 0.683 18715 509 1 1 . 1 1 109 109 ASN N N 109 118.290 118.290 119.137 -0.847 18715 510 1 1 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.409 0.208 18715 511 1 1 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.480 -1.598 18715 512 1 1 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.543 -0.018 18715 513 1 1 . 1 1 109 109 ASN H H 109 8.252 8.252 7.990 0.262 18715 514 1 1 . 1 1 110 110 LYS N N 110 120.478 120.478 119.230 1.248 18715 515 1 1 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.078 0.152 18715 516 1 1 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.285 -0.974 18715 517 1 1 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.215 0.476 18715 518 1 1 . 1 1 110 110 LYS H H 110 8.031 8.031 7.658 0.373 18715 519 1 1 . 1 1 111 111 SER N N 111 114.540 114.540 115.378 -0.838 18715 520 1 1 . 1 1 111 111 SER HA H 111 4.368 4.368 4.188 0.180 18715 521 1 1 . 1 1 111 111 SER CA C 111 59.764 59.764 61.118 -1.354 18715 522 1 1 . 1 1 111 111 SER CB C 111 63.442 63.442 62.918 0.524 18715 523 1 1 . 1 1 111 111 SER H H 111 8.031 8.031 7.810 0.221 18715 524 1 1 . 1 1 112 112 LYS N N 112 122.040 122.040 120.707 1.333 18715 525 1 1 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.094 0.151 18715 526 1 1 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.747 -1.418 18715 527 1 1 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.289 0.486 18715 528 1 1 . 1 1 112 112 LYS H H 112 7.957 7.957 7.497 0.460 18715 529 1 1 . 1 1 113 113 LYS N N 113 120.790 120.790 117.041 3.749 18715 530 1 1 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.114 0.036 18715 531 1 1 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.822 0.312 18715 532 1 1 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.614 0.152 18715 533 1 1 . 1 1 113 113 LYS H H 113 8.016 8.016 7.601 0.415 18715 534 1 1 . 1 1 114 114 LYS N N 114 121.728 121.728 117.539 4.189 18715 535 1 1 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.243 0.020 18715 536 1 1 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.097 -0.912 18715 537 1 1 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.916 -0.059 18715 538 1 1 . 1 1 114 114 LYS H H 114 8.119 8.119 7.682 0.437 18715 539 1 1 . 1 1 115 115 ALA N N 115 124.228 124.228 120.613 3.615 18715 540 1 1 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.457 -0.189 18715 541 1 1 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.208 0.827 18715 542 1 1 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.254 0.784 18715 543 1 1 . 1 1 115 115 ALA H H 115 8.178 8.178 7.737 0.441 18715 544 1 1 . 1 1 116 116 GLN N N 116 119.228 119.228 117.540 1.688 18715 545 1 1 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.436 -0.188 18715 546 1 1 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.331 0.218 18715 547 1 1 . 1 1 116 116 GLN H H 116 8.237 8.237 7.702 0.535 18715 548 1 1 . 1 1 117 117 GLN N N 117 120.478 120.478 118.401 2.077 18715 549 1 1 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.401 -0.132 18715 550 1 1 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.066 -0.742 18715 551 1 1 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.713 -0.107 18715 552 1 1 . 1 1 117 117 GLN H H 117 8.266 8.266 8.487 -0.221 18715 553 1 1 . 1 1 118 118 ALA N N 118 124.852 124.852 122.671 2.181 18715 554 1 1 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.296 -0.020 18715 555 1 1 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.921 -1.084 18715 556 1 1 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.662 0.400 18715 557 1 1 . 1 1 118 118 ALA H H 118 8.266 8.266 8.321 -0.055 18715 558 1 1 . 1 1 119 119 ALA N N 119 122.978 122.978 119.370 3.608 18715 559 1 1 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.418 -0.124 18715 560 1 1 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.509 1.128 18715 561 1 1 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.146 2.055 18715 562 1 1 . 1 1 119 119 ALA H H 119 8.163 8.163 8.219 -0.056 18715 563 1 1 . 1 1 120 120 ALA N N 120 122.665 122.665 121.397 1.268 18715 564 1 1 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.589 -0.312 18715 565 1 1 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.562 0.174 18715 566 1 1 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.558 -0.391 18715 567 1 1 . 1 1 120 120 ALA H H 120 8.163 8.163 7.548 0.615 18715 568 1 1 . 1 1 121 121 ASP N N 121 119.228 119.228 120.055 -0.827 18715 569 1 1 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.689 -0.007 18715 570 1 1 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.978 0.286 18715 571 1 1 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.335 -0.207 18715 572 1 1 . 1 1 121 121 ASP H H 121 8.252 8.252 8.297 -0.045 18715 573 1 1 . 1 1 122 122 THR N N 122 113.602 113.602 113.467 0.135 18715 574 1 1 . 1 1 122 122 THR HA H 122 4.358 4.358 4.325 0.033 18715 575 1 1 . 1 1 122 122 THR CA C 122 61.971 61.971 62.891 -0.920 18715 576 1 1 . 1 1 122 122 THR CB C 122 69.586 69.586 69.313 0.273 18715 577 1 1 . 1 1 122 122 THR H H 122 8.075 8.075 7.820 0.255 18715 578 1 1 . 1 1 123 123 GLY N N 123 110.478 110.478 114.593 -4.115 18715 579 1 1 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.202 0.401 18715 580 1 1 . 1 1 123 123 GLY H H 123 8.414 8.414 8.715 -0.301 18715 581 1 1 . 1 1 124 124 ASN N N 124 118.602 118.602 119.990 -1.388 18715 582 1 1 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.536 0.072 18715 583 1 1 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.855 1.878 18715 584 1 1 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.093 -0.555 18715 585 1 1 . 1 1 124 124 ASN H H 124 8.266 8.266 8.309 -0.043 18715 586 1 1 . 1 1 125 125 ASN N N 125 119.228 119.228 117.585 1.643 18715 587 1 1 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.668 0.056 18715 588 1 1 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.588 -0.135 18715 589 1 1 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.046 -0.233 18715 590 1 1 . 1 1 125 125 ASN H H 125 8.443 8.443 8.467 -0.024 18715 591 1 1 . 1 1 126 126 SER N N 126 115.790 115.790 119.138 -3.348 18715 592 1 1 . 1 1 126 126 SER HA H 126 4.388 4.388 4.478 -0.090 18715 593 1 1 . 1 1 126 126 SER CA C 126 58.851 58.851 57.685 1.166 18715 594 1 1 . 1 1 126 126 SER CB C 126 63.926 63.926 64.683 -0.757 18715 595 1 1 . 1 1 126 126 SER H H 126 8.266 8.266 8.272 -0.006 18715 596 1 1 . 1 1 127 127 GLN N N 127 121.728 121.728 119.832 1.896 18715 597 1 1 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.632 -0.309 18715 598 1 1 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.396 0.827 18715 599 1 1 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.077 -0.909 18715 600 1 1 . 1 1 127 127 GLN H H 127 8.355 8.355 8.404 -0.049 18715 601 1 1 . 1 1 128 128 VAL N N 128 119.852 119.852 121.808 -1.956 18715 602 1 1 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.305 -0.196 18715 603 1 1 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.672 0.993 18715 604 1 1 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.120 -0.351 18715 605 1 1 . 1 1 128 128 VAL H H 128 7.986 7.986 8.173 -0.187 18715 606 1 1 . 1 1 129 129 SER N N 129 117.978 117.978 122.351 -4.373 18715 607 1 1 . 1 1 129 129 SER HA H 129 4.136 4.136 4.654 -0.518 18715 608 1 1 . 1 1 129 129 SER CA C 129 58.404 58.404 58.435 -0.031 18715 609 1 1 . 1 1 129 129 SER CB C 129 63.755 63.755 65.101 -1.346 18715 610 1 1 . 1 1 129 129 SER H H 129 8.252 8.252 8.705 -0.453 18715 611 1 1 . 1 1 130 130 GLN N N 130 121.728 121.728 119.589 2.139 18715 612 1 1 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.650 -0.295 18715 613 1 1 . 1 1 130 130 GLN CA C 130 56.150 56.150 54.977 1.173 18715 614 1 1 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.409 -1.036 18715 615 1 1 . 1 1 130 130 GLN H H 130 8.355 8.355 8.707 -0.352 18715 616 1 1 . 1 1 131 131 ASN N N 131 118.290 118.290 118.638 -0.348 18715 617 1 1 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.047 -0.415 18715 618 1 1 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.077 0.491 18715 619 1 1 . 1 1 131 131 ASN H H 131 8.252 8.252 8.749 -0.497 18715 620 1 2 . 1 1 3 3 ALA N N 3 123.842 123.842 123.321 0.521 18715 621 1 2 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.626 -0.298 18715 622 1 2 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.480 1.058 18715 623 1 2 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.852 -1.601 18715 624 1 2 . 1 1 3 3 ALA H H 3 8.183 8.183 8.097 0.086 18715 625 1 2 . 1 1 4 4 ARG N N 4 120.165 120.165 118.391 1.774 18715 626 1 2 . 1 1 4 4 ARG HA H 4 4.256 4.256 3.956 0.300 18715 627 1 2 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.262 -0.297 18715 628 1 2 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.096 1.865 18715 629 1 2 . 1 1 4 4 ARG H H 4 8.429 8.429 8.090 0.339 18715 630 1 2 . 1 1 5 5 ALA N N 5 125.165 125.165 125.467 -0.302 18715 631 1 2 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.494 -0.212 18715 632 1 2 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.586 0.785 18715 633 1 2 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.058 -0.386 18715 634 1 2 . 1 1 5 5 ALA H H 5 8.370 8.370 8.234 0.136 18715 635 1 2 . 1 1 6 6 SER N N 6 114.540 114.540 116.694 -2.154 18715 636 1 2 . 1 1 6 6 SER HA H 6 4.479 4.479 4.752 -0.273 18715 637 1 2 . 1 1 6 6 SER CA C 6 57.804 57.804 57.206 0.598 18715 638 1 2 . 1 1 6 6 SER CB C 6 64.034 64.034 63.721 0.313 18715 639 1 2 . 1 1 6 6 SER H H 6 8.134 8.134 8.076 0.058 18715 640 1 2 . 1 1 7 7 VAL N N 7 121.415 121.415 125.022 -3.607 18715 641 1 2 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.924 -0.307 18715 642 1 2 . 1 1 7 7 VAL CA C 7 65.711 65.711 62.916 2.795 18715 643 1 2 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.173 -0.237 18715 644 1 2 . 1 1 7 7 VAL H H 7 8.119 8.119 8.576 -0.457 18715 645 1 2 . 1 1 8 8 LEU N N 8 115.478 115.478 117.852 -2.374 18715 646 1 2 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.710 0.222 18715 647 1 2 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.205 -0.698 18715 648 1 2 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.145 1.158 18715 649 1 2 . 1 1 8 8 LEU H H 8 7.382 7.382 7.521 -0.139 18715 650 1 2 . 1 1 9 9 SER N N 9 118.290 118.290 119.815 -1.525 18715 651 1 2 . 1 1 9 9 SER HA H 9 4.606 4.606 4.474 0.132 18715 652 1 2 . 1 1 9 9 SER CA C 9 57.197 57.197 57.826 -0.629 18715 653 1 2 . 1 1 9 9 SER CB C 9 65.426 65.426 64.846 0.580 18715 654 1 2 . 1 1 9 9 SER H H 9 9.166 9.166 8.884 0.282 18715 655 1 2 . 1 1 10 10 GLY N N 10 109.228 109.228 108.268 0.960 18715 656 1 2 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.045 0.629 18715 657 1 2 . 1 1 10 10 GLY H H 10 8.959 8.959 8.658 0.301 18715 658 1 2 . 1 1 11 11 GLY N N 11 111.102 111.102 109.829 1.273 18715 659 1 2 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.393 0.268 18715 660 1 2 . 1 1 11 11 GLY H H 11 8.782 8.782 7.835 0.947 18715 661 1 2 . 1 1 12 12 GLU N N 12 120.165 120.165 122.007 -1.842 18715 662 1 2 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.037 -0.087 18715 663 1 2 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.540 0.556 18715 664 1 2 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.451 1.839 18715 665 1 2 . 1 1 12 12 GLU H H 12 7.751 7.751 7.612 0.139 18715 666 1 2 . 1 1 13 13 LEU N N 13 121.415 121.415 121.936 -0.521 18715 667 1 2 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.085 0.023 18715 668 1 2 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.312 -0.250 18715 669 1 2 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.803 -0.867 18715 670 1 2 . 1 1 13 13 LEU H H 13 8.340 8.340 8.306 0.034 18715 671 1 2 . 1 1 14 14 ASP N N 14 116.415 116.415 119.285 -2.870 18715 672 1 2 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.278 0.115 18715 673 1 2 . 1 1 14 14 ASP CA C 14 57.136 57.136 58.063 -0.927 18715 674 1 2 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.837 0.249 18715 675 1 2 . 1 1 14 14 ASP H H 14 7.574 7.574 7.793 -0.219 18715 676 1 2 . 1 1 15 15 LYS N N 15 115.478 115.478 119.601 -4.123 18715 677 1 2 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.080 -0.034 18715 678 1 2 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.356 -0.954 18715 679 1 2 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.292 0.067 18715 680 1 2 . 1 1 15 15 LYS H H 15 7.117 7.117 7.685 -0.568 18715 681 1 2 . 1 1 16 16 TRP N N 16 121.693 121.693 121.527 0.166 18715 682 1 2 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.159 -0.134 18715 683 1 2 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.327 -0.041 18715 684 1 2 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.677 1.435 18715 685 1 2 . 1 1 16 16 TRP H H 16 8.646 8.646 8.078 0.568 18715 686 1 2 . 1 1 17 17 GLU N N 17 127.710 127.710 116.784 10.926 18715 687 1 2 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.301 0.390 18715 688 1 2 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.855 -2.086 18715 689 1 2 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.394 0.351 18715 690 1 2 . 1 1 17 17 GLU H H 17 7.571 7.571 8.338 -0.767 18715 691 1 2 . 1 1 18 18 LYS N N 18 115.790 115.790 119.042 -3.252 18715 692 1 2 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.176 0.321 18715 693 1 2 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.003 -1.434 18715 694 1 2 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.118 0.821 18715 695 1 2 . 1 1 18 18 LYS H H 18 7.456 7.456 7.413 0.043 18715 696 1 2 . 1 1 19 19 ILE N N 19 124.228 124.228 120.225 4.003 18715 697 1 2 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.022 -0.465 18715 698 1 2 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.635 -0.515 18715 699 1 2 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.773 0.409 18715 700 1 2 . 1 1 19 19 ILE H H 19 7.633 7.633 8.058 -0.425 18715 701 1 2 . 1 1 20 20 ARG N N 20 125.790 125.790 123.548 2.242 18715 702 1 2 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.488 -0.060 18715 703 1 2 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.867 1.628 18715 704 1 2 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.583 -0.046 18715 705 1 2 . 1 1 20 20 ARG H H 20 8.031 8.031 7.831 0.200 18715 706 1 2 . 1 1 21 21 LEU N N 21 120.165 120.165 119.884 0.281 18715 707 1 2 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.815 -0.369 18715 708 1 2 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.672 1.563 18715 709 1 2 . 1 1 21 21 LEU CB C 21 41.535 41.535 41.811 -0.276 18715 710 1 2 . 1 1 21 21 LEU H H 21 7.810 7.810 8.049 -0.239 18715 711 1 2 . 1 1 22 22 ARG N N 22 119.540 119.540 115.063 4.477 18715 712 1 2 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.630 0.215 18715 713 1 2 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.691 -0.847 18715 714 1 2 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.442 -0.825 18715 715 1 2 . 1 1 22 22 ARG H H 22 8.974 8.974 7.533 1.441 18715 716 1 2 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.373 -0.013 18715 717 1 2 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.882 -1.446 18715 718 1 2 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.225 -0.660 18715 719 1 2 . 1 1 24 24 GLY N N 24 112.665 112.665 106.495 6.170 18715 720 1 2 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.364 1.441 18715 721 1 2 . 1 1 24 24 GLY H H 24 9.138 9.138 8.177 0.961 18715 722 1 2 . 1 1 25 25 GLY N N 25 107.978 107.978 108.289 -0.311 18715 723 1 2 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.467 0.105 18715 724 1 2 . 1 1 25 25 GLY H H 25 8.134 8.134 7.395 0.739 18715 725 1 2 . 1 1 26 26 LYS N N 26 117.665 117.665 119.332 -1.667 18715 726 1 2 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.552 -0.288 18715 727 1 2 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.027 0.826 18715 728 1 2 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.490 1.566 18715 729 1 2 . 1 1 26 26 LYS H H 26 8.665 8.665 8.411 0.254 18715 730 1 2 . 1 1 27 27 LYS N N 27 117.925 117.925 119.243 -1.318 18715 731 1 2 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.514 -0.203 18715 732 1 2 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.779 1.432 18715 733 1 2 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.240 -1.362 18715 734 1 2 . 1 1 27 27 LYS H H 27 7.817 7.817 7.638 0.179 18715 735 1 2 . 1 1 28 28 GLN N N 28 122.978 122.978 119.599 3.379 18715 736 1 2 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.341 0.475 18715 737 1 2 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.077 -0.604 18715 738 1 2 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.894 4.160 18715 739 1 2 . 1 1 28 28 GLN H H 28 8.458 8.458 8.381 0.077 18715 740 1 2 . 1 1 29 29 TYR N N 29 119.540 119.540 118.682 0.858 18715 741 1 2 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.404 -0.672 18715 742 1 2 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.954 1.056 18715 743 1 2 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.336 -2.120 18715 744 1 2 . 1 1 29 29 TYR H H 29 7.824 7.824 8.319 -0.495 18715 745 1 2 . 1 1 30 30 LYS N N 30 117.978 117.978 120.622 -2.644 18715 746 1 2 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.854 0.362 18715 747 1 2 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.306 -1.240 18715 748 1 2 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.914 2.674 18715 749 1 2 . 1 1 30 30 LYS H H 30 10.610 10.610 9.062 1.548 18715 750 1 2 . 1 1 31 31 LEU N N 31 128.602 128.602 125.046 3.556 18715 751 1 2 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.160 0.021 18715 752 1 2 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.797 1.438 18715 753 1 2 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.712 -0.710 18715 754 1 2 . 1 1 31 31 LEU H H 31 9.991 9.991 8.788 1.203 18715 755 1 2 . 1 1 32 32 LYS N N 32 115.165 115.165 118.699 -3.534 18715 756 1 2 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.919 0.226 18715 757 1 2 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.511 -0.414 18715 758 1 2 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.878 -0.319 18715 759 1 2 . 1 1 32 32 LYS H H 32 8.399 8.399 8.611 -0.212 18715 760 1 2 . 1 1 33 33 HIS N N 33 119.540 119.540 116.835 2.705 18715 761 1 2 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.678 -0.074 18715 762 1 2 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.655 3.236 18715 763 1 2 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.400 2.384 18715 764 1 2 . 1 1 33 33 HIS H H 33 8.193 8.193 7.838 0.355 18715 765 1 2 . 1 1 34 34 ILE N N 34 119.540 119.540 120.426 -0.886 18715 766 1 2 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.911 -0.117 18715 767 1 2 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.626 -0.778 18715 768 1 2 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.636 -0.657 18715 769 1 2 . 1 1 34 34 ILE H H 34 7.898 7.898 7.506 0.392 18715 770 1 2 . 1 1 35 35 VAL N N 35 122.040 122.040 119.403 2.637 18715 771 1 2 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.882 -0.270 18715 772 1 2 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.275 0.471 18715 773 1 2 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.578 0.564 18715 774 1 2 . 1 1 35 35 VAL H H 35 7.706 7.706 8.541 -0.835 18715 775 1 2 . 1 1 36 36 TRP N N 36 119.986 119.986 122.649 -2.663 18715 776 1 2 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.214 0.019 18715 777 1 2 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.218 -0.108 18715 778 1 2 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.185 -0.773 18715 779 1 2 . 1 1 36 36 TRP H H 36 8.452 8.452 7.913 0.539 18715 780 1 2 . 1 1 37 37 ALA N N 37 120.478 120.478 119.334 1.144 18715 781 1 2 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.767 -0.377 18715 782 1 2 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.196 -0.083 18715 783 1 2 . 1 1 37 37 ALA CB C 37 17.430 17.430 17.923 -0.493 18715 784 1 2 . 1 1 37 37 ALA H H 37 8.311 8.311 8.063 0.248 18715 785 1 2 . 1 1 38 38 SER N N 38 111.415 111.415 114.773 -3.358 18715 786 1 2 . 1 1 38 38 SER HA H 38 3.906 3.906 4.052 -0.146 18715 787 1 2 . 1 1 38 38 SER CA C 38 62.801 62.801 61.934 0.867 18715 788 1 2 . 1 1 38 38 SER CB C 38 62.829 62.829 62.892 -0.063 18715 789 1 2 . 1 1 38 38 SER H H 38 8.259 8.259 7.380 0.879 18715 790 1 2 . 1 1 39 39 ARG N N 39 119.852 119.852 121.560 -1.708 18715 791 1 2 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.053 0.093 18715 792 1 2 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.248 -0.838 18715 793 1 2 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.381 -0.373 18715 794 1 2 . 1 1 39 39 ARG H H 39 7.559 7.559 7.828 -0.269 18715 795 1 2 . 1 1 40 40 GLU N N 40 121.102 121.102 119.191 1.911 18715 796 1 2 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.854 -0.067 18715 797 1 2 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.646 -0.365 18715 798 1 2 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.911 0.763 18715 799 1 2 . 1 1 40 40 GLU H H 40 8.222 8.222 7.509 0.713 18715 800 1 2 . 1 1 41 41 LEU N N 41 117.040 117.040 120.539 -3.499 18715 801 1 2 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.091 -0.138 18715 802 1 2 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.993 0.330 18715 803 1 2 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.040 -1.860 18715 804 1 2 . 1 1 41 41 LEU H H 41 8.016 8.016 7.729 0.287 18715 805 1 2 . 1 1 42 42 GLU N N 42 117.352 117.352 118.364 -1.012 18715 806 1 2 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.014 0.113 18715 807 1 2 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.208 0.363 18715 808 1 2 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.358 0.307 18715 809 1 2 . 1 1 42 42 GLU H H 42 7.559 7.559 7.758 -0.199 18715 810 1 2 . 1 1 43 43 ARG N N 43 119.540 119.540 119.144 0.396 18715 811 1 2 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.005 0.037 18715 812 1 2 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.161 0.329 18715 813 1 2 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.015 -0.350 18715 814 1 2 . 1 1 43 43 ARG H H 43 7.647 7.647 7.254 0.393 18715 815 1 2 . 1 1 44 44 PHE N N 44 117.665 117.665 118.551 -0.886 18715 816 1 2 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.675 -0.061 18715 817 1 2 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.727 0.631 18715 818 1 2 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.358 0.808 18715 819 1 2 . 1 1 44 44 PHE H H 44 7.529 7.529 7.657 -0.128 18715 820 1 2 . 1 1 45 45 ALA N N 45 118.915 118.915 119.330 -0.415 18715 821 1 2 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.934 0.081 18715 822 1 2 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.272 0.143 18715 823 1 2 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.863 -0.584 18715 824 1 2 . 1 1 45 45 ALA H H 45 7.928 7.928 7.665 0.263 18715 825 1 2 . 1 1 46 46 VAL N N 46 119.540 119.540 118.469 1.071 18715 826 1 2 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.146 -0.051 18715 827 1 2 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.998 -0.177 18715 828 1 2 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.216 0.150 18715 829 1 2 . 1 1 46 46 VAL H H 46 7.765 7.765 7.625 0.140 18715 830 1 2 . 1 1 47 47 ASN N N 47 125.790 125.790 127.051 -1.261 18715 831 1 2 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.746 -0.100 18715 832 1 2 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.118 -2.121 18715 833 1 2 . 1 1 47 47 ASN CB C 47 39.086 39.086 39.168 -0.082 18715 834 1 2 . 1 1 47 47 ASN H H 47 8.399 8.399 8.829 -0.430 18715 835 1 2 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.410 -0.188 18715 836 1 2 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.321 -0.007 18715 837 1 2 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.773 -0.033 18715 838 1 2 . 1 1 49 49 GLY N N 49 108.290 108.290 107.676 0.614 18715 839 1 2 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.185 0.345 18715 840 1 2 . 1 1 49 49 GLY H H 49 8.620 8.620 8.626 -0.006 18715 841 1 2 . 1 1 50 50 LEU N N 50 121.728 121.728 121.446 0.282 18715 842 1 2 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.139 0.007 18715 843 1 2 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.052 1.189 18715 844 1 2 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.789 -0.226 18715 845 1 2 . 1 1 50 50 LEU H H 50 7.765 7.765 7.504 0.261 18715 846 1 2 . 1 1 51 51 LEU N N 51 112.040 112.040 117.977 -5.937 18715 847 1 2 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.146 0.092 18715 848 1 2 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.350 -0.843 18715 849 1 2 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.169 0.321 18715 850 1 2 . 1 1 51 51 LEU H H 51 7.412 7.412 7.727 -0.315 18715 851 1 2 . 1 1 52 52 GLU N N 52 114.540 114.540 113.768 0.772 18715 852 1 2 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.316 -0.261 18715 853 1 2 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.226 3.158 18715 854 1 2 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.462 1.597 18715 855 1 2 . 1 1 52 52 GLU H H 52 7.500 7.500 7.602 -0.102 18715 856 1 2 . 1 1 53 53 THR N N 53 122.978 122.978 112.187 10.791 18715 857 1 2 . 1 1 53 53 THR HA H 53 4.402 4.402 4.517 -0.115 18715 858 1 2 . 1 1 53 53 THR CA C 53 58.306 58.306 60.550 -2.244 18715 859 1 2 . 1 1 53 53 THR CB C 53 73.222 73.222 71.963 1.258 18715 860 1 2 . 1 1 53 53 THR H H 53 7.235 7.235 7.614 -0.379 18715 861 1 2 . 1 1 54 54 SER N N 54 119.228 119.228 121.888 -2.660 18715 862 1 2 . 1 1 54 54 SER HA H 54 4.043 4.043 4.255 -0.212 18715 863 1 2 . 1 1 54 54 SER CA C 54 62.657 62.657 61.807 0.850 18715 864 1 2 . 1 1 54 54 SER CB C 54 62.562 62.562 62.933 -0.371 18715 865 1 2 . 1 1 54 54 SER H H 54 9.313 9.313 8.920 0.393 18715 866 1 2 . 1 1 55 55 GLU N N 55 121.233 121.233 121.174 0.059 18715 867 1 2 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.389 -0.320 18715 868 1 2 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.119 1.556 18715 869 1 2 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.554 -0.555 18715 870 1 2 . 1 1 55 55 GLU H H 55 8.975 8.975 8.624 0.351 18715 871 1 2 . 1 1 56 56 GLY N N 56 110.790 110.790 108.617 2.173 18715 872 1 2 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.311 0.555 18715 873 1 2 . 1 1 56 56 GLY H H 56 8.517 8.517 8.206 0.311 18715 874 1 2 . 1 1 57 57 CYS N N 57 118.602 118.602 120.368 -1.766 18715 875 1 2 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.048 -0.028 18715 876 1 2 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.296 0.306 18715 877 1 2 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.340 20.455 18715 878 1 2 . 1 1 57 57 CYS H H 57 8.122 8.122 8.013 0.109 18715 879 1 2 . 1 1 58 58 ARG N N 58 119.540 119.540 118.969 0.571 18715 880 1 2 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.565 -0.015 18715 881 1 2 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.555 0.152 18715 882 1 2 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.865 -0.416 18715 883 1 2 . 1 1 58 58 ARG H H 58 8.488 8.488 7.998 0.490 18715 884 1 2 . 1 1 59 59 GLN N N 59 119.852 119.852 118.639 1.213 18715 885 1 2 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.112 -0.060 18715 886 1 2 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.592 0.808 18715 887 1 2 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.931 -0.697 18715 888 1 2 . 1 1 59 59 GLN H H 59 8.016 8.016 7.590 0.426 18715 889 1 2 . 1 1 60 60 ILE N N 60 120.790 120.790 120.859 -0.069 18715 890 1 2 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.672 -0.061 18715 891 1 2 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.352 0.238 18715 892 1 2 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.019 -0.169 18715 893 1 2 . 1 1 60 60 ILE H H 60 8.163 8.163 8.415 -0.252 18715 894 1 2 . 1 1 61 61 LEU N N 61 118.915 118.915 118.141 0.774 18715 895 1 2 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.237 -0.342 18715 896 1 2 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.415 1.239 18715 897 1 2 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.450 -0.674 18715 898 1 2 . 1 1 61 61 LEU H H 61 8.370 8.370 8.567 -0.197 18715 899 1 2 . 1 1 62 62 GLY N N 62 104.332 104.332 107.142 -2.810 18715 900 1 2 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.688 0.496 18715 901 1 2 . 1 1 62 62 GLY H H 62 7.883 7.883 7.676 0.207 18715 902 1 2 . 1 1 63 63 GLN N N 63 119.852 119.852 118.617 1.235 18715 903 1 2 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.339 -0.187 18715 904 1 2 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.387 0.607 18715 905 1 2 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.293 -0.094 18715 906 1 2 . 1 1 63 63 GLN H H 63 7.795 7.795 7.504 0.291 18715 907 1 2 . 1 1 64 64 LEU N N 64 117.040 117.040 118.090 -1.050 18715 908 1 2 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.171 0.110 18715 909 1 2 . 1 1 64 64 LEU CA C 64 56.101 56.101 55.697 0.404 18715 910 1 2 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.216 2.027 18715 911 1 2 . 1 1 64 64 LEU H H 64 8.252 8.252 7.402 0.850 18715 912 1 2 . 1 1 65 65 GLN N N 65 118.915 118.915 118.202 0.713 18715 913 1 2 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.602 0.177 18715 914 1 2 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.607 1.940 18715 915 1 2 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.862 -1.998 18715 916 1 2 . 1 1 65 65 GLN H H 65 8.104 8.104 7.981 0.123 18715 917 1 2 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.319 0.064 18715 918 1 2 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.637 1.280 18715 919 1 2 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.283 -0.184 18715 920 1 2 . 1 1 67 67 SER N N 67 111.415 111.415 112.361 -0.946 18715 921 1 2 . 1 1 67 67 SER HA H 67 4.493 4.493 4.579 -0.086 18715 922 1 2 . 1 1 67 67 SER CA C 67 59.696 59.696 56.678 3.018 18715 923 1 2 . 1 1 67 67 SER CB C 67 64.031 64.031 62.374 1.657 18715 924 1 2 . 1 1 67 67 SER H H 67 7.824 7.824 7.756 0.068 18715 925 1 2 . 1 1 68 68 LEU N N 68 121.102 121.102 121.260 -0.158 18715 926 1 2 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.928 -0.112 18715 927 1 2 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.030 0.918 18715 928 1 2 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.801 -0.032 18715 929 1 2 . 1 1 68 68 LEU H H 68 7.647 7.647 7.270 0.377 18715 930 1 2 . 1 1 69 69 GLN N N 69 116.415 116.415 117.630 -1.215 18715 931 1 2 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.088 -0.019 18715 932 1 2 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.483 -0.013 18715 933 1 2 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.744 -0.316 18715 934 1 2 . 1 1 69 69 GLN H H 69 8.060 8.060 8.363 -0.303 18715 935 1 2 . 1 1 70 70 THR N N 70 106.728 106.728 109.856 -3.128 18715 936 1 2 . 1 1 70 70 THR HA H 70 4.481 4.481 4.422 0.059 18715 937 1 2 . 1 1 70 70 THR CA C 70 61.291 61.291 61.383 -0.092 18715 938 1 2 . 1 1 70 70 THR CB C 70 69.415 69.415 67.877 1.538 18715 939 1 2 . 1 1 70 70 THR H H 70 7.515 7.515 8.069 -0.554 18715 940 1 2 . 1 1 71 71 GLY N N 71 109.540 109.540 110.442 -0.902 18715 941 1 2 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.491 2.062 18715 942 1 2 . 1 1 71 71 GLY H H 71 7.692 7.692 7.353 0.339 18715 943 1 2 . 1 1 72 72 SER N N 72 114.540 114.540 113.744 0.796 18715 944 1 2 . 1 1 72 72 SER HA H 72 4.625 4.625 4.699 -0.074 18715 945 1 2 . 1 1 72 72 SER CA C 72 57.319 57.319 56.794 0.525 18715 946 1 2 . 1 1 72 72 SER CB C 72 64.599 64.599 65.811 -1.212 18715 947 1 2 . 1 1 72 72 SER H H 72 8.045 8.045 7.915 0.130 18715 948 1 2 . 1 1 73 73 GLU N N 73 124.228 124.228 120.436 3.792 18715 949 1 2 . 1 1 73 73 GLU HA H 73 4.087 4.087 3.984 0.103 18715 950 1 2 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.301 -0.921 18715 951 1 2 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.497 -0.195 18715 952 1 2 . 1 1 73 73 GLU H H 73 9.092 9.092 8.926 0.166 18715 953 1 2 . 1 1 74 74 GLU N N 74 120.165 120.165 118.850 1.315 18715 954 1 2 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.485 -0.196 18715 955 1 2 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.084 1.144 18715 956 1 2 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.707 -0.245 18715 957 1 2 . 1 1 74 74 GLU H H 74 8.665 8.665 7.746 0.919 18715 958 1 2 . 1 1 75 75 LEU N N 75 121.415 121.415 121.319 0.096 18715 959 1 2 . 1 1 75 75 LEU HA H 75 4.161 4.161 3.989 0.172 18715 960 1 2 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.090 -0.137 18715 961 1 2 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.076 -0.808 18715 962 1 2 . 1 1 75 75 LEU H H 75 7.765 7.765 7.639 0.126 18715 963 1 2 . 1 1 76 76 ARG N N 76 119.228 119.228 119.004 0.224 18715 964 1 2 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.977 -0.044 18715 965 1 2 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.738 -0.056 18715 966 1 2 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.077 -0.880 18715 967 1 2 . 1 1 76 76 ARG H H 76 7.868 7.868 8.772 -0.904 18715 968 1 2 . 1 1 77 77 SER N N 77 114.228 114.228 116.445 -2.217 18715 969 1 2 . 1 1 77 77 SER HA H 77 4.263 4.263 4.123 0.140 18715 970 1 2 . 1 1 77 77 SER CA C 77 62.668 62.668 62.057 0.611 18715 971 1 2 . 1 1 77 77 SER CB C 77 62.849 62.849 63.059 -0.209 18715 972 1 2 . 1 1 77 77 SER H H 77 8.576 8.576 7.869 0.707 18715 973 1 2 . 1 1 78 78 LEU N N 78 125.790 125.790 123.371 2.419 18715 974 1 2 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.278 0.143 18715 975 1 2 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.108 0.854 18715 976 1 2 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.232 0.811 18715 977 1 2 . 1 1 78 78 LEU H H 78 8.458 8.458 8.398 0.060 18715 978 1 2 . 1 1 79 79 TYR N N 79 119.852 119.852 119.487 0.365 18715 979 1 2 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.077 -0.416 18715 980 1 2 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.634 1.168 18715 981 1 2 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.341 0.853 18715 982 1 2 . 1 1 79 79 TYR H H 79 8.694 8.694 8.439 0.255 18715 983 1 2 . 1 1 80 80 ASN N N 80 117.040 117.040 117.406 -0.366 18715 984 1 2 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.481 -0.197 18715 985 1 2 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.128 -0.341 18715 986 1 2 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.188 -0.349 18715 987 1 2 . 1 1 80 80 ASN H H 80 8.871 8.871 7.855 1.016 18715 988 1 2 . 1 1 81 81 THR N N 81 115.790 115.790 118.515 -2.725 18715 989 1 2 . 1 1 81 81 THR HA H 81 3.945 3.945 4.296 -0.351 18715 990 1 2 . 1 1 81 81 THR CA C 81 67.855 67.855 66.921 0.934 18715 991 1 2 . 1 1 81 81 THR CB C 81 69.140 69.140 68.988 0.152 18715 992 1 2 . 1 1 81 81 THR H H 81 8.119 8.119 8.255 -0.136 18715 993 1 2 . 1 1 82 82 ILE N N 82 121.102 121.102 120.900 0.202 18715 994 1 2 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.819 -0.151 18715 995 1 2 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.196 -0.676 18715 996 1 2 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.181 -0.695 18715 997 1 2 . 1 1 82 82 ILE H H 82 8.090 8.090 8.809 -0.719 18715 998 1 2 . 1 1 83 83 ALA N N 83 125.165 125.165 123.429 1.736 18715 999 1 2 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.937 -0.046 18715 1000 1 2 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.148 0.707 18715 1001 1 2 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.899 -0.051 18715 1002 1 2 . 1 1 83 83 ALA H H 83 8.782 8.782 7.276 1.506 18715 1003 1 2 . 1 1 84 84 VAL N N 84 117.665 117.665 119.373 -1.708 18715 1004 1 2 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.548 -0.220 18715 1005 1 2 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.290 1.175 18715 1006 1 2 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.376 -0.681 18715 1007 1 2 . 1 1 84 84 VAL H H 84 7.795 7.795 7.612 0.183 18715 1008 1 2 . 1 1 85 85 LEU N N 85 122.040 122.040 120.652 1.388 18715 1009 1 2 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.942 -0.127 18715 1010 1 2 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.849 0.461 18715 1011 1 2 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.898 0.250 18715 1012 1 2 . 1 1 85 85 LEU H H 85 8.163 8.163 8.096 0.067 18715 1013 1 2 . 1 1 86 86 TYR N N 86 118.915 118.915 120.507 -1.592 18715 1014 1 2 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.022 -0.110 18715 1015 1 2 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.502 1.316 18715 1016 1 2 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.912 0.375 18715 1017 1 2 . 1 1 86 86 TYR H H 86 9.062 9.062 7.861 1.201 18715 1018 1 2 . 1 1 87 87 CYS N N 87 116.102 116.102 115.022 1.080 18715 1019 1 2 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.723 0.071 18715 1020 1 2 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.808 2.158 18715 1021 1 2 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.380 20.177 18715 1022 1 2 . 1 1 87 87 CYS H H 87 7.515 7.515 8.239 -0.724 18715 1023 1 2 . 1 1 88 88 VAL N N 88 119.978 119.978 118.750 1.228 18715 1024 1 2 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.779 0.099 18715 1025 1 2 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.824 0.622 18715 1026 1 2 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.446 0.050 18715 1027 1 2 . 1 1 88 88 VAL H H 88 8.448 8.448 7.383 1.065 18715 1028 1 2 . 1 1 89 89 HIS N N 89 118.915 118.915 114.458 4.457 18715 1029 1 2 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.548 0.327 18715 1030 1 2 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.637 0.483 18715 1031 1 2 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.031 0.052 18715 1032 1 2 . 1 1 89 89 HIS H H 89 8.797 8.797 7.273 1.524 18715 1033 1 2 . 1 1 90 90 GLN N N 90 116.728 116.728 117.109 -0.381 18715 1034 1 2 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.309 0.076 18715 1035 1 2 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.538 -1.249 18715 1036 1 2 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.741 0.211 18715 1037 1 2 . 1 1 90 90 GLN H H 90 7.986 7.986 7.577 0.409 18715 1038 1 2 . 1 1 91 91 ARG N N 91 115.165 115.165 114.829 0.336 18715 1039 1 2 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.324 -0.311 18715 1040 1 2 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.532 0.650 18715 1041 1 2 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.840 -5.791 18715 1042 1 2 . 1 1 91 91 ARG H H 91 7.883 7.883 7.692 0.191 18715 1043 1 2 . 1 1 92 92 ILE N N 92 120.087 120.087 122.336 -2.249 18715 1044 1 2 . 1 1 92 92 ILE HA H 92 3.985 3.985 3.965 0.020 18715 1045 1 2 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.384 -1.728 18715 1046 1 2 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.129 0.801 18715 1047 1 2 . 1 1 92 92 ILE H H 92 8.335 8.335 7.742 0.593 18715 1048 1 2 . 1 1 93 93 ASP N N 93 129.228 129.228 126.868 2.360 18715 1049 1 2 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.723 -0.238 18715 1050 1 2 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.446 2.597 18715 1051 1 2 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.324 0.072 18715 1052 1 2 . 1 1 93 93 ASP H H 93 8.620 8.620 8.495 0.125 18715 1053 1 2 . 1 1 94 94 VAL N N 94 115.790 115.790 116.071 -0.281 18715 1054 1 2 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.073 0.560 18715 1055 1 2 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.586 -3.466 18715 1056 1 2 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.906 2.606 18715 1057 1 2 . 1 1 94 94 VAL H H 94 7.751 7.751 7.530 0.221 18715 1058 1 2 . 1 1 95 95 LYS N N 95 118.915 118.915 119.436 -0.521 18715 1059 1 2 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.411 -0.018 18715 1060 1 2 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.865 -0.194 18715 1061 1 2 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.627 0.381 18715 1062 1 2 . 1 1 95 95 LYS H H 95 9.239 9.239 8.580 0.659 18715 1063 1 2 . 1 1 96 96 ASP N N 96 112.040 112.040 114.877 -2.837 18715 1064 1 2 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.246 0.316 18715 1065 1 2 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.721 0.108 18715 1066 1 2 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.144 1.460 18715 1067 1 2 . 1 1 96 96 ASP H H 96 7.412 7.412 7.684 -0.272 18715 1068 1 2 . 1 1 97 97 THR N N 97 109.540 109.540 113.524 -3.984 18715 1069 1 2 . 1 1 97 97 THR HA H 97 3.661 3.661 4.145 -0.484 18715 1070 1 2 . 1 1 97 97 THR CA C 97 65.947 65.947 65.076 0.871 18715 1071 1 2 . 1 1 97 97 THR CB C 97 70.285 70.285 68.865 1.419 18715 1072 1 2 . 1 1 97 97 THR H H 97 7.250 7.250 8.246 -0.996 18715 1073 1 2 . 1 1 98 98 LYS N N 98 121.102 121.102 122.414 -1.312 18715 1074 1 2 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.944 0.001 18715 1075 1 2 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.015 -0.387 18715 1076 1 2 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.175 -0.247 18715 1077 1 2 . 1 1 98 98 LYS H H 98 7.868 7.868 7.968 -0.100 18715 1078 1 2 . 1 1 99 99 GLU N N 99 119.228 119.228 118.593 0.635 18715 1079 1 2 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.028 0.049 18715 1080 1 2 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.283 0.512 18715 1081 1 2 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.109 1.137 18715 1082 1 2 . 1 1 99 99 GLU H H 99 8.384 8.384 8.767 -0.383 18715 1083 1 2 . 1 1 100 100 ALA N N 100 118.915 118.915 121.407 -2.492 18715 1084 1 2 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.119 0.267 18715 1085 1 2 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.802 0.594 18715 1086 1 2 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.483 1.276 18715 1087 1 2 . 1 1 100 100 ALA H H 100 7.382 7.382 7.527 -0.145 18715 1088 1 2 . 1 1 101 101 LEU N N 101 117.978 117.978 119.991 -2.013 18715 1089 1 2 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.111 -0.091 18715 1090 1 2 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.849 0.126 18715 1091 1 2 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.195 0.298 18715 1092 1 2 . 1 1 101 101 LEU H H 101 8.119 8.119 7.891 0.228 18715 1093 1 2 . 1 1 102 102 ASP N N 102 120.478 120.478 119.301 1.177 18715 1094 1 2 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.317 0.050 18715 1095 1 2 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.860 -0.508 18715 1096 1 2 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.680 -0.958 18715 1097 1 2 . 1 1 102 102 ASP H H 102 8.679 8.679 8.036 0.643 18715 1098 1 2 . 1 1 103 103 LYS N N 103 120.165 120.165 120.620 -0.455 18715 1099 1 2 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.198 -0.034 18715 1100 1 2 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.151 -0.787 18715 1101 1 2 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.533 -1.001 18715 1102 1 2 . 1 1 103 103 LYS H H 103 8.207 8.207 7.637 0.570 18715 1103 1 2 . 1 1 104 104 ILE N N 104 119.852 119.852 119.298 0.554 18715 1104 1 2 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.692 0.118 18715 1105 1 2 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.757 -0.148 18715 1106 1 2 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.869 -0.435 18715 1107 1 2 . 1 1 104 104 ILE H H 104 8.163 8.163 7.753 0.410 18715 1108 1 2 . 1 1 105 105 GLU N N 105 121.415 121.415 120.435 0.980 18715 1109 1 2 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.013 0.022 18715 1110 1 2 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.709 -0.075 18715 1111 1 2 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.645 3.111 18715 1112 1 2 . 1 1 105 105 GLU H H 105 8.001 8.001 8.466 -0.465 18715 1113 1 2 . 1 1 106 106 GLU N N 106 119.228 119.228 119.899 -0.671 18715 1114 1 2 . 1 1 106 106 GLU HA H 106 4.090 4.090 3.998 0.092 18715 1115 1 2 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.362 -0.095 18715 1116 1 2 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.673 -0.076 18715 1117 1 2 . 1 1 106 106 GLU H H 106 8.031 8.031 7.861 0.170 18715 1118 1 2 . 1 1 107 107 GLU N N 107 118.915 118.915 118.337 0.578 18715 1119 1 2 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.043 0.030 18715 1120 1 2 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.225 0.116 18715 1121 1 2 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.624 0.246 18715 1122 1 2 . 1 1 107 107 GLU H H 107 8.016 8.016 8.209 -0.193 18715 1123 1 2 . 1 1 108 108 GLN N N 108 118.290 118.290 117.335 0.955 18715 1124 1 2 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.285 -0.138 18715 1125 1 2 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.882 0.525 18715 1126 1 2 . 1 1 108 108 GLN CB C 108 28.845 28.845 29.106 -0.261 18715 1127 1 2 . 1 1 108 108 GLN H H 108 8.252 8.252 7.747 0.505 18715 1128 1 2 . 1 1 109 109 ASN N N 109 118.290 118.290 120.618 -2.328 18715 1129 1 2 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.479 0.138 18715 1130 1 2 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.827 -1.945 18715 1131 1 2 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.632 -0.107 18715 1132 1 2 . 1 1 109 109 ASN H H 109 8.252 8.252 7.944 0.308 18715 1133 1 2 . 1 1 110 110 LYS N N 110 120.478 120.478 120.375 0.103 18715 1134 1 2 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.037 0.193 18715 1135 1 2 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.817 -1.506 18715 1136 1 2 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.508 0.183 18715 1137 1 2 . 1 1 110 110 LYS H H 110 8.031 8.031 8.405 -0.374 18715 1138 1 2 . 1 1 111 111 SER N N 111 114.540 114.540 114.629 -0.089 18715 1139 1 2 . 1 1 111 111 SER HA H 111 4.368 4.368 4.317 0.051 18715 1140 1 2 . 1 1 111 111 SER CA C 111 59.764 59.764 61.242 -1.478 18715 1141 1 2 . 1 1 111 111 SER CB C 111 63.442 63.442 63.106 0.336 18715 1142 1 2 . 1 1 111 111 SER H H 111 8.031 8.031 7.924 0.107 18715 1143 1 2 . 1 1 112 112 LYS N N 112 122.040 122.040 122.057 -0.017 18715 1144 1 2 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.021 0.224 18715 1145 1 2 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.649 -2.320 18715 1146 1 2 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.460 0.315 18715 1147 1 2 . 1 1 112 112 LYS H H 112 7.957 7.957 7.755 0.202 18715 1148 1 2 . 1 1 113 113 LYS N N 113 120.790 120.790 118.596 2.194 18715 1149 1 2 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.000 0.150 18715 1150 1 2 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.450 -0.316 18715 1151 1 2 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.344 0.421 18715 1152 1 2 . 1 1 113 113 LYS H H 113 8.016 8.016 8.141 -0.125 18715 1153 1 2 . 1 1 114 114 LYS N N 114 121.728 121.728 119.010 2.718 18715 1154 1 2 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.064 0.199 18715 1155 1 2 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.866 -1.681 18715 1156 1 2 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.240 0.617 18715 1157 1 2 . 1 1 114 114 LYS H H 114 8.119 8.119 7.486 0.633 18715 1158 1 2 . 1 1 115 115 ALA N N 115 124.228 124.228 121.475 2.753 18715 1159 1 2 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.084 0.184 18715 1160 1 2 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.437 -1.402 18715 1161 1 2 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.690 0.348 18715 1162 1 2 . 1 1 115 115 ALA H H 115 8.178 8.178 7.589 0.589 18715 1163 1 2 . 1 1 116 116 GLN N N 116 119.228 119.228 118.193 1.035 18715 1164 1 2 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.167 0.081 18715 1165 1 2 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.632 -0.083 18715 1166 1 2 . 1 1 116 116 GLN H H 116 8.237 8.237 7.702 0.535 18715 1167 1 2 . 1 1 117 117 GLN N N 117 120.478 120.478 116.041 4.437 18715 1168 1 2 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.917 0.352 18715 1169 1 2 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.079 -0.755 18715 1170 1 2 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.479 2.127 18715 1171 1 2 . 1 1 117 117 GLN H H 117 8.266 8.266 8.362 -0.096 18715 1172 1 2 . 1 1 118 118 ALA N N 118 124.852 124.852 118.705 6.147 18715 1173 1 2 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.302 -0.026 18715 1174 1 2 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.136 -0.299 18715 1175 1 2 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.527 0.534 18715 1176 1 2 . 1 1 118 118 ALA H H 118 8.266 8.266 8.250 0.016 18715 1177 1 2 . 1 1 119 119 ALA N N 119 122.978 122.978 121.208 1.770 18715 1178 1 2 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.602 -0.308 18715 1179 1 2 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.539 0.098 18715 1180 1 2 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.212 0.989 18715 1181 1 2 . 1 1 119 119 ALA H H 119 8.163 8.163 8.357 -0.194 18715 1182 1 2 . 1 1 120 120 ALA N N 120 122.665 122.665 121.159 1.506 18715 1183 1 2 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.338 -0.061 18715 1184 1 2 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.139 0.597 18715 1185 1 2 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.439 -0.273 18715 1186 1 2 . 1 1 120 120 ALA H H 120 8.163 8.163 7.792 0.371 18715 1187 1 2 . 1 1 121 121 ASP N N 121 119.228 119.228 121.005 -1.777 18715 1188 1 2 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.800 -0.118 18715 1189 1 2 . 1 1 121 121 ASP CA C 121 54.264 54.264 52.959 1.305 18715 1190 1 2 . 1 1 121 121 ASP CB C 121 41.128 41.128 39.684 1.444 18715 1191 1 2 . 1 1 121 121 ASP H H 121 8.252 8.252 8.301 -0.049 18715 1192 1 2 . 1 1 122 122 THR N N 122 113.602 113.602 114.905 -1.303 18715 1193 1 2 . 1 1 122 122 THR HA H 122 4.358 4.358 4.219 0.139 18715 1194 1 2 . 1 1 122 122 THR CA C 122 61.971 61.971 62.197 -0.226 18715 1195 1 2 . 1 1 122 122 THR CB C 122 69.586 69.586 69.114 0.472 18715 1196 1 2 . 1 1 122 122 THR H H 122 8.075 8.075 7.716 0.359 18715 1197 1 2 . 1 1 123 123 GLY N N 123 110.478 110.478 109.040 1.438 18715 1198 1 2 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.663 0.940 18715 1199 1 2 . 1 1 123 123 GLY H H 123 8.414 8.414 8.367 0.047 18715 1200 1 2 . 1 1 124 124 ASN N N 124 118.602 118.602 117.577 1.025 18715 1201 1 2 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.736 -0.128 18715 1202 1 2 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.990 1.743 18715 1203 1 2 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.350 -1.812 18715 1204 1 2 . 1 1 124 124 ASN H H 124 8.266 8.266 8.572 -0.306 18715 1205 1 2 . 1 1 125 125 ASN N N 125 119.228 119.228 121.669 -2.441 18715 1206 1 2 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.737 -0.013 18715 1207 1 2 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.197 0.256 18715 1208 1 2 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.330 -0.517 18715 1209 1 2 . 1 1 125 125 ASN H H 125 8.443 8.443 8.486 -0.043 18715 1210 1 2 . 1 1 126 126 SER N N 126 115.790 115.790 114.115 1.675 18715 1211 1 2 . 1 1 126 126 SER HA H 126 4.388 4.388 4.739 -0.351 18715 1212 1 2 . 1 1 126 126 SER CA C 126 58.851 58.851 57.452 1.399 18715 1213 1 2 . 1 1 126 126 SER CB C 126 63.926 63.926 64.714 -0.788 18715 1214 1 2 . 1 1 126 126 SER H H 126 8.266 8.266 8.382 -0.116 18715 1215 1 2 . 1 1 127 127 GLN N N 127 121.728 121.728 121.980 -0.252 18715 1216 1 2 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.319 0.004 18715 1217 1 2 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.492 0.731 18715 1218 1 2 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.936 0.232 18715 1219 1 2 . 1 1 127 127 GLN H H 127 8.355 8.355 8.330 0.025 18715 1220 1 2 . 1 1 128 128 VAL N N 128 119.852 119.852 119.165 0.687 18715 1221 1 2 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.347 -0.238 18715 1222 1 2 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.775 0.890 18715 1223 1 2 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.363 -0.594 18715 1224 1 2 . 1 1 128 128 VAL H H 128 7.986 7.986 8.267 -0.281 18715 1225 1 2 . 1 1 129 129 SER N N 129 117.978 117.978 122.551 -4.573 18715 1226 1 2 . 1 1 129 129 SER HA H 129 4.136 4.136 4.811 -0.675 18715 1227 1 2 . 1 1 129 129 SER CA C 129 58.404 58.404 57.827 0.577 18715 1228 1 2 . 1 1 129 129 SER CB C 129 63.755 63.755 64.199 -0.444 18715 1229 1 2 . 1 1 129 129 SER H H 129 8.252 8.252 8.364 -0.112 18715 1230 1 2 . 1 1 130 130 GLN N N 130 121.728 121.728 119.844 1.884 18715 1231 1 2 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.592 -0.237 18715 1232 1 2 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.556 0.594 18715 1233 1 2 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.009 0.364 18715 1234 1 2 . 1 1 130 130 GLN H H 130 8.355 8.355 8.355 0.000 18715 1235 1 2 . 1 1 131 131 ASN N N 131 118.290 118.290 118.736 -0.446 18715 1236 1 2 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.981 -0.349 18715 1237 1 2 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.911 0.657 18715 1238 1 2 . 1 1 131 131 ASN H H 131 8.252 8.252 8.109 0.143 18715 1239 1 3 . 1 1 3 3 ALA N N 3 123.842 123.842 122.793 1.049 18715 1240 1 3 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.445 -0.117 18715 1241 1 3 . 1 1 3 3 ALA CA C 3 52.537 52.537 53.829 -1.292 18715 1242 1 3 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.163 -0.912 18715 1243 1 3 . 1 1 3 3 ALA H H 3 8.183 8.183 9.706 -1.523 18715 1244 1 3 . 1 1 4 4 ARG N N 4 120.165 120.165 119.125 1.040 18715 1245 1 3 . 1 1 4 4 ARG HA H 4 4.256 4.256 5.151 -0.895 18715 1246 1 3 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.908 0.057 18715 1247 1 3 . 1 1 4 4 ARG CB C 4 30.961 30.961 32.083 -1.122 18715 1248 1 3 . 1 1 4 4 ARG H H 4 8.429 8.429 9.136 -0.707 18715 1249 1 3 . 1 1 5 5 ALA N N 5 125.165 125.165 122.360 2.805 18715 1250 1 3 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.453 -0.171 18715 1251 1 3 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.416 -0.045 18715 1252 1 3 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.706 -0.034 18715 1253 1 3 . 1 1 5 5 ALA H H 5 8.370 8.370 8.352 0.018 18715 1254 1 3 . 1 1 6 6 SER N N 6 114.540 114.540 113.417 1.123 18715 1255 1 3 . 1 1 6 6 SER HA H 6 4.479 4.479 4.209 0.270 18715 1256 1 3 . 1 1 6 6 SER CA C 6 57.804 57.804 58.920 -1.116 18715 1257 1 3 . 1 1 6 6 SER CB C 6 64.034 64.034 62.137 1.897 18715 1258 1 3 . 1 1 6 6 SER H H 6 8.134 8.134 8.071 0.063 18715 1259 1 3 . 1 1 7 7 VAL N N 7 121.415 121.415 117.095 4.320 18715 1260 1 3 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.913 -0.296 18715 1261 1 3 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.317 1.394 18715 1262 1 3 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.243 -0.307 18715 1263 1 3 . 1 1 7 7 VAL H H 7 8.119 8.119 7.772 0.347 18715 1264 1 3 . 1 1 8 8 LEU N N 8 115.478 115.478 118.411 -2.933 18715 1265 1 3 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.788 0.144 18715 1266 1 3 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.175 -0.668 18715 1267 1 3 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.434 0.869 18715 1268 1 3 . 1 1 8 8 LEU H H 8 7.382 7.382 7.565 -0.183 18715 1269 1 3 . 1 1 9 9 SER N N 9 118.290 118.290 119.570 -1.280 18715 1270 1 3 . 1 1 9 9 SER HA H 9 4.606 4.606 4.533 0.073 18715 1271 1 3 . 1 1 9 9 SER CA C 9 57.197 57.197 57.601 -0.404 18715 1272 1 3 . 1 1 9 9 SER CB C 9 65.426 65.426 65.574 -0.148 18715 1273 1 3 . 1 1 9 9 SER H H 9 9.166 9.166 8.949 0.217 18715 1274 1 3 . 1 1 10 10 GLY N N 10 109.228 109.228 108.593 0.635 18715 1275 1 3 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.996 0.678 18715 1276 1 3 . 1 1 10 10 GLY H H 10 8.959 8.959 8.697 0.262 18715 1277 1 3 . 1 1 11 11 GLY N N 11 111.102 111.102 109.742 1.360 18715 1278 1 3 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.408 0.253 18715 1279 1 3 . 1 1 11 11 GLY H H 11 8.782 8.782 7.792 0.990 18715 1280 1 3 . 1 1 12 12 GLU N N 12 120.165 120.165 122.033 -1.868 18715 1281 1 3 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.032 -0.082 18715 1282 1 3 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.531 0.565 18715 1283 1 3 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.451 1.839 18715 1284 1 3 . 1 1 12 12 GLU H H 12 7.751 7.751 7.623 0.128 18715 1285 1 3 . 1 1 13 13 LEU N N 13 121.415 121.415 121.691 -0.276 18715 1286 1 3 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.075 0.033 18715 1287 1 3 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.388 -0.326 18715 1288 1 3 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.916 -0.980 18715 1289 1 3 . 1 1 13 13 LEU H H 13 8.340 8.340 8.303 0.037 18715 1290 1 3 . 1 1 14 14 ASP N N 14 116.415 116.415 119.142 -2.727 18715 1291 1 3 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.323 0.070 18715 1292 1 3 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.562 -0.426 18715 1293 1 3 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.706 0.380 18715 1294 1 3 . 1 1 14 14 ASP H H 14 7.574 7.574 7.840 -0.266 18715 1295 1 3 . 1 1 15 15 LYS N N 15 115.478 115.478 119.122 -3.644 18715 1296 1 3 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.112 -0.066 18715 1297 1 3 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.727 -0.325 18715 1298 1 3 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.056 0.303 18715 1299 1 3 . 1 1 15 15 LYS H H 15 7.117 7.117 7.631 -0.514 18715 1300 1 3 . 1 1 16 16 TRP N N 16 121.693 121.693 121.782 -0.089 18715 1301 1 3 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.168 -0.143 18715 1302 1 3 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.612 -0.326 18715 1303 1 3 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.474 1.639 18715 1304 1 3 . 1 1 16 16 TRP H H 16 8.646 8.646 8.219 0.427 18715 1305 1 3 . 1 1 17 17 GLU N N 17 127.710 127.710 116.669 11.041 18715 1306 1 3 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.316 0.375 18715 1307 1 3 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.712 -1.943 18715 1308 1 3 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.450 0.295 18715 1309 1 3 . 1 1 17 17 GLU H H 17 7.571 7.571 8.402 -0.831 18715 1310 1 3 . 1 1 18 18 LYS N N 18 115.790 115.790 118.705 -2.915 18715 1311 1 3 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.197 0.300 18715 1312 1 3 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.312 -1.743 18715 1313 1 3 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.071 0.868 18715 1314 1 3 . 1 1 18 18 LYS H H 18 7.456 7.456 7.354 0.102 18715 1315 1 3 . 1 1 19 19 ILE N N 19 124.228 124.228 119.437 4.791 18715 1316 1 3 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.063 -0.506 18715 1317 1 3 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.520 -0.400 18715 1318 1 3 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.756 0.426 18715 1319 1 3 . 1 1 19 19 ILE H H 19 7.633 7.633 8.001 -0.368 18715 1320 1 3 . 1 1 20 20 ARG N N 20 125.790 125.790 123.348 2.442 18715 1321 1 3 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.470 -0.042 18715 1322 1 3 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.719 1.776 18715 1323 1 3 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.868 -0.331 18715 1324 1 3 . 1 1 20 20 ARG H H 20 8.031 8.031 7.887 0.144 18715 1325 1 3 . 1 1 21 21 LEU N N 21 120.165 120.165 120.250 -0.085 18715 1326 1 3 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.840 -0.394 18715 1327 1 3 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.935 1.300 18715 1328 1 3 . 1 1 21 21 LEU CB C 21 41.535 41.535 41.881 -0.346 18715 1329 1 3 . 1 1 21 21 LEU H H 21 7.810 7.810 8.106 -0.296 18715 1330 1 3 . 1 1 22 22 ARG N N 22 119.540 119.540 114.481 5.059 18715 1331 1 3 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.667 0.178 18715 1332 1 3 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.172 -0.327 18715 1333 1 3 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.694 -1.077 18715 1334 1 3 . 1 1 22 22 ARG H H 22 8.974 8.974 7.426 1.548 18715 1335 1 3 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.366 -0.006 18715 1336 1 3 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.959 -1.523 18715 1337 1 3 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.103 -0.538 18715 1338 1 3 . 1 1 24 24 GLY N N 24 112.665 112.665 108.250 4.415 18715 1339 1 3 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.665 1.140 18715 1340 1 3 . 1 1 24 24 GLY H H 24 9.138 9.138 8.319 0.819 18715 1341 1 3 . 1 1 25 25 GLY N N 25 107.978 107.978 108.111 -0.133 18715 1342 1 3 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.499 0.073 18715 1343 1 3 . 1 1 25 25 GLY H H 25 8.134 8.134 7.563 0.571 18715 1344 1 3 . 1 1 26 26 LYS N N 26 117.665 117.665 119.582 -1.917 18715 1345 1 3 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.587 -0.323 18715 1346 1 3 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.154 0.699 18715 1347 1 3 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.528 1.528 18715 1348 1 3 . 1 1 26 26 LYS H H 26 8.665 8.665 8.371 0.294 18715 1349 1 3 . 1 1 27 27 LYS N N 27 117.925 117.925 119.566 -1.641 18715 1350 1 3 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.557 -0.246 18715 1351 1 3 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.790 1.421 18715 1352 1 3 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.996 -1.118 18715 1353 1 3 . 1 1 27 27 LYS H H 27 7.817 7.817 7.734 0.083 18715 1354 1 3 . 1 1 28 28 GLN N N 28 122.978 122.978 120.355 2.623 18715 1355 1 3 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.297 0.519 18715 1356 1 3 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.011 -0.538 18715 1357 1 3 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.026 4.028 18715 1358 1 3 . 1 1 28 28 GLN H H 28 8.458 8.458 8.334 0.124 18715 1359 1 3 . 1 1 29 29 TYR N N 29 119.540 119.540 118.808 0.732 18715 1360 1 3 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.411 -0.679 18715 1361 1 3 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.903 1.107 18715 1362 1 3 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.375 -2.159 18715 1363 1 3 . 1 1 29 29 TYR H H 29 7.824 7.824 8.266 -0.442 18715 1364 1 3 . 1 1 30 30 LYS N N 30 117.978 117.978 120.892 -2.914 18715 1365 1 3 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.915 0.301 18715 1366 1 3 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.107 -1.042 18715 1367 1 3 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.820 2.768 18715 1368 1 3 . 1 1 30 30 LYS H H 30 10.610 10.610 9.164 1.446 18715 1369 1 3 . 1 1 31 31 LEU N N 31 128.602 128.602 124.706 3.896 18715 1370 1 3 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.058 0.123 18715 1371 1 3 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.282 0.952 18715 1372 1 3 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.873 -0.871 18715 1373 1 3 . 1 1 31 31 LEU H H 31 9.991 9.991 8.931 1.060 18715 1374 1 3 . 1 1 32 32 LYS N N 32 115.165 115.165 118.733 -3.568 18715 1375 1 3 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.949 0.196 18715 1376 1 3 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.632 -0.534 18715 1377 1 3 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.820 -0.261 18715 1378 1 3 . 1 1 32 32 LYS H H 32 8.399 8.399 8.604 -0.205 18715 1379 1 3 . 1 1 33 33 HIS N N 33 119.540 119.540 117.077 2.463 18715 1380 1 3 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.691 -0.087 18715 1381 1 3 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.622 3.269 18715 1382 1 3 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.536 2.248 18715 1383 1 3 . 1 1 33 33 HIS H H 33 8.193 8.193 7.952 0.241 18715 1384 1 3 . 1 1 34 34 ILE N N 34 119.540 119.540 120.070 -0.530 18715 1385 1 3 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.788 0.006 18715 1386 1 3 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.013 -1.165 18715 1387 1 3 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.520 -0.541 18715 1388 1 3 . 1 1 34 34 ILE H H 34 7.898 7.898 7.470 0.428 18715 1389 1 3 . 1 1 35 35 VAL N N 35 122.040 122.040 120.003 2.037 18715 1390 1 3 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.855 -0.243 18715 1391 1 3 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.231 1.515 18715 1392 1 3 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.056 1.086 18715 1393 1 3 . 1 1 35 35 VAL H H 35 7.706 7.706 8.758 -1.052 18715 1394 1 3 . 1 1 36 36 TRP N N 36 119.986 119.986 121.974 -1.988 18715 1395 1 3 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.206 0.027 18715 1396 1 3 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.966 0.144 18715 1397 1 3 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.042 -0.630 18715 1398 1 3 . 1 1 36 36 TRP H H 36 8.452 8.452 7.731 0.721 18715 1399 1 3 . 1 1 37 37 ALA N N 37 120.478 120.478 119.126 1.352 18715 1400 1 3 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.706 -0.316 18715 1401 1 3 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.748 0.365 18715 1402 1 3 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.406 -0.976 18715 1403 1 3 . 1 1 37 37 ALA H H 37 8.311 8.311 8.123 0.188 18715 1404 1 3 . 1 1 38 38 SER N N 38 111.415 111.415 115.517 -4.102 18715 1405 1 3 . 1 1 38 38 SER HA H 38 3.906 3.906 4.126 -0.220 18715 1406 1 3 . 1 1 38 38 SER CA C 38 62.801 62.801 62.676 0.125 18715 1407 1 3 . 1 1 38 38 SER CB C 38 62.829 62.829 63.053 -0.224 18715 1408 1 3 . 1 1 38 38 SER H H 38 8.259 8.259 7.912 0.347 18715 1409 1 3 . 1 1 39 39 ARG N N 39 119.852 119.852 121.600 -1.748 18715 1410 1 3 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.987 0.159 18715 1411 1 3 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.388 -0.978 18715 1412 1 3 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.306 -0.298 18715 1413 1 3 . 1 1 39 39 ARG H H 39 7.559 7.559 7.710 -0.150 18715 1414 1 3 . 1 1 40 40 GLU N N 40 121.102 121.102 119.411 1.691 18715 1415 1 3 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.884 -0.097 18715 1416 1 3 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.736 -0.455 18715 1417 1 3 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.028 0.646 18715 1418 1 3 . 1 1 40 40 GLU H H 40 8.222 8.222 7.532 0.690 18715 1419 1 3 . 1 1 41 41 LEU N N 41 117.040 117.040 120.735 -3.695 18715 1420 1 3 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.135 -0.182 18715 1421 1 3 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.990 0.333 18715 1422 1 3 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.959 -1.779 18715 1423 1 3 . 1 1 41 41 LEU H H 41 8.016 8.016 7.721 0.295 18715 1424 1 3 . 1 1 42 42 GLU N N 42 117.352 117.352 118.107 -0.755 18715 1425 1 3 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.029 0.098 18715 1426 1 3 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.338 0.233 18715 1427 1 3 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.109 0.556 18715 1428 1 3 . 1 1 42 42 GLU H H 42 7.559 7.559 7.737 -0.178 18715 1429 1 3 . 1 1 43 43 ARG N N 43 119.540 119.540 118.392 1.148 18715 1430 1 3 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.018 0.024 18715 1431 1 3 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.013 0.478 18715 1432 1 3 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.042 -0.377 18715 1433 1 3 . 1 1 43 43 ARG H H 43 7.647 7.647 7.265 0.382 18715 1434 1 3 . 1 1 44 44 PHE N N 44 117.665 117.665 118.240 -0.575 18715 1435 1 3 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.620 -0.006 18715 1436 1 3 . 1 1 44 44 PHE CA C 44 57.358 57.358 57.006 0.352 18715 1437 1 3 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.074 1.092 18715 1438 1 3 . 1 1 44 44 PHE H H 44 7.529 7.529 7.648 -0.119 18715 1439 1 3 . 1 1 45 45 ALA N N 45 118.915 118.915 119.293 -0.378 18715 1440 1 3 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.934 0.081 18715 1441 1 3 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.276 0.138 18715 1442 1 3 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.864 -0.585 18715 1443 1 3 . 1 1 45 45 ALA H H 45 7.928 7.928 7.661 0.267 18715 1444 1 3 . 1 1 46 46 VAL N N 46 119.540 119.540 118.711 0.829 18715 1445 1 3 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.155 -0.060 18715 1446 1 3 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.957 -0.136 18715 1447 1 3 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.463 -0.097 18715 1448 1 3 . 1 1 46 46 VAL H H 46 7.765 7.765 7.600 0.165 18715 1449 1 3 . 1 1 47 47 ASN N N 47 125.790 125.790 127.132 -1.342 18715 1450 1 3 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.722 -0.076 18715 1451 1 3 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.785 -1.788 18715 1452 1 3 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.283 0.803 18715 1453 1 3 . 1 1 47 47 ASN H H 47 8.399 8.399 8.851 -0.452 18715 1454 1 3 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.388 -0.166 18715 1455 1 3 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.720 -0.406 18715 1456 1 3 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.899 -0.159 18715 1457 1 3 . 1 1 49 49 GLY N N 49 108.290 108.290 107.553 0.737 18715 1458 1 3 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.315 0.215 18715 1459 1 3 . 1 1 49 49 GLY H H 49 8.620 8.620 8.663 -0.043 18715 1460 1 3 . 1 1 50 50 LEU N N 50 121.728 121.728 121.391 0.337 18715 1461 1 3 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.140 0.006 18715 1462 1 3 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.056 1.185 18715 1463 1 3 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.810 -0.247 18715 1464 1 3 . 1 1 50 50 LEU H H 50 7.765 7.765 7.495 0.270 18715 1465 1 3 . 1 1 51 51 LEU N N 51 112.040 112.040 117.740 -5.700 18715 1466 1 3 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.151 0.087 18715 1467 1 3 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.264 -0.756 18715 1468 1 3 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.003 0.487 18715 1469 1 3 . 1 1 51 51 LEU H H 51 7.412 7.412 7.698 -0.286 18715 1470 1 3 . 1 1 52 52 GLU N N 52 114.540 114.540 113.923 0.617 18715 1471 1 3 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.325 -0.270 18715 1472 1 3 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.203 3.181 18715 1473 1 3 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.144 1.914 18715 1474 1 3 . 1 1 52 52 GLU H H 52 7.500 7.500 7.608 -0.108 18715 1475 1 3 . 1 1 53 53 THR N N 53 122.978 122.978 110.882 12.096 18715 1476 1 3 . 1 1 53 53 THR HA H 53 4.402 4.402 4.580 -0.178 18715 1477 1 3 . 1 1 53 53 THR CA C 53 58.306 58.306 59.438 -1.132 18715 1478 1 3 . 1 1 53 53 THR CB C 53 73.222 73.222 71.480 1.742 18715 1479 1 3 . 1 1 53 53 THR H H 53 7.235 7.235 7.536 -0.301 18715 1480 1 3 . 1 1 54 54 SER N N 54 119.228 119.228 121.622 -2.394 18715 1481 1 3 . 1 1 54 54 SER HA H 54 4.043 4.043 4.267 -0.224 18715 1482 1 3 . 1 1 54 54 SER CA C 54 62.657 62.657 61.401 1.256 18715 1483 1 3 . 1 1 54 54 SER CB C 54 62.562 62.562 63.009 -0.447 18715 1484 1 3 . 1 1 54 54 SER H H 54 9.313 9.313 8.989 0.324 18715 1485 1 3 . 1 1 55 55 GLU N N 55 121.233 121.233 121.195 0.038 18715 1486 1 3 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.375 -0.306 18715 1487 1 3 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.681 0.994 18715 1488 1 3 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.572 -0.573 18715 1489 1 3 . 1 1 55 55 GLU H H 55 8.975 8.975 8.599 0.376 18715 1490 1 3 . 1 1 56 56 GLY N N 56 110.790 110.790 109.041 1.749 18715 1491 1 3 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.238 0.628 18715 1492 1 3 . 1 1 56 56 GLY H H 56 8.517 8.517 8.223 0.294 18715 1493 1 3 . 1 1 57 57 CYS N N 57 118.602 118.602 120.337 -1.735 18715 1494 1 3 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.198 -0.178 18715 1495 1 3 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.728 1.874 18715 1496 1 3 . 1 1 57 57 CYS CB C 57 47.795 47.795 26.909 20.887 18715 1497 1 3 . 1 1 57 57 CYS H H 57 8.122 8.122 8.364 -0.242 18715 1498 1 3 . 1 1 58 58 ARG N N 58 119.540 119.540 119.378 0.162 18715 1499 1 3 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.559 -0.009 18715 1500 1 3 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.154 0.553 18715 1501 1 3 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.928 -0.479 18715 1502 1 3 . 1 1 58 58 ARG H H 58 8.488 8.488 7.775 0.713 18715 1503 1 3 . 1 1 59 59 GLN N N 59 119.852 119.852 119.022 0.830 18715 1504 1 3 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.060 -0.008 18715 1505 1 3 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.817 0.583 18715 1506 1 3 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.837 -0.603 18715 1507 1 3 . 1 1 59 59 GLN H H 59 8.016 8.016 7.532 0.484 18715 1508 1 3 . 1 1 60 60 ILE N N 60 120.790 120.790 119.998 0.792 18715 1509 1 3 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.693 -0.082 18715 1510 1 3 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.168 0.422 18715 1511 1 3 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.906 -0.056 18715 1512 1 3 . 1 1 60 60 ILE H H 60 8.163 8.163 8.375 -0.212 18715 1513 1 3 . 1 1 61 61 LEU N N 61 118.915 118.915 118.515 0.400 18715 1514 1 3 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.297 -0.402 18715 1515 1 3 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.405 1.249 18715 1516 1 3 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.193 -0.417 18715 1517 1 3 . 1 1 61 61 LEU H H 61 8.370 8.370 7.606 0.764 18715 1518 1 3 . 1 1 62 62 GLY N N 62 104.332 104.332 105.529 -1.197 18715 1519 1 3 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.743 0.441 18715 1520 1 3 . 1 1 62 62 GLY H H 62 7.883 7.883 7.697 0.186 18715 1521 1 3 . 1 1 63 63 GLN N N 63 119.852 119.852 118.569 1.283 18715 1522 1 3 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.390 -0.238 18715 1523 1 3 . 1 1 63 63 GLN CA C 63 57.994 57.994 56.570 1.424 18715 1524 1 3 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.460 -0.261 18715 1525 1 3 . 1 1 63 63 GLN H H 63 7.795 7.795 7.490 0.305 18715 1526 1 3 . 1 1 64 64 LEU N N 64 117.040 117.040 118.884 -1.844 18715 1527 1 3 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.250 0.031 18715 1528 1 3 . 1 1 64 64 LEU CA C 64 56.101 56.101 55.766 0.335 18715 1529 1 3 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.169 2.074 18715 1530 1 3 . 1 1 64 64 LEU H H 64 8.252 8.252 7.337 0.915 18715 1531 1 3 . 1 1 65 65 GLN N N 65 118.915 118.915 118.346 0.569 18715 1532 1 3 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.755 0.024 18715 1533 1 3 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.642 1.905 18715 1534 1 3 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.781 -1.917 18715 1535 1 3 . 1 1 65 65 GLN H H 65 8.104 8.104 8.030 0.074 18715 1536 1 3 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.289 0.094 18715 1537 1 3 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.585 1.331 18715 1538 1 3 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.314 -0.215 18715 1539 1 3 . 1 1 67 67 SER N N 67 111.415 111.415 111.855 -0.440 18715 1540 1 3 . 1 1 67 67 SER HA H 67 4.493 4.493 4.564 -0.071 18715 1541 1 3 . 1 1 67 67 SER CA C 67 59.696 59.696 56.649 3.047 18715 1542 1 3 . 1 1 67 67 SER CB C 67 64.031 64.031 62.706 1.325 18715 1543 1 3 . 1 1 67 67 SER H H 67 7.824 7.824 7.711 0.113 18715 1544 1 3 . 1 1 68 68 LEU N N 68 121.102 121.102 121.172 -0.070 18715 1545 1 3 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.992 -0.176 18715 1546 1 3 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.085 0.863 18715 1547 1 3 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.736 0.033 18715 1548 1 3 . 1 1 68 68 LEU H H 68 7.647 7.647 7.358 0.289 18715 1549 1 3 . 1 1 69 69 GLN N N 69 116.415 116.415 119.294 -2.879 18715 1550 1 3 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.090 -0.021 18715 1551 1 3 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.141 0.329 18715 1552 1 3 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.042 -0.614 18715 1553 1 3 . 1 1 69 69 GLN H H 69 8.060 8.060 8.407 -0.347 18715 1554 1 3 . 1 1 70 70 THR N N 70 106.728 106.728 109.148 -2.420 18715 1555 1 3 . 1 1 70 70 THR HA H 70 4.481 4.481 4.437 0.044 18715 1556 1 3 . 1 1 70 70 THR CA C 70 61.291 61.291 60.922 0.369 18715 1557 1 3 . 1 1 70 70 THR CB C 70 69.415 69.415 68.131 1.284 18715 1558 1 3 . 1 1 70 70 THR H H 70 7.515 7.515 7.963 -0.448 18715 1559 1 3 . 1 1 71 71 GLY N N 71 109.540 109.540 109.761 -0.221 18715 1560 1 3 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.243 1.310 18715 1561 1 3 . 1 1 71 71 GLY H H 71 7.692 7.692 7.246 0.446 18715 1562 1 3 . 1 1 72 72 SER N N 72 114.540 114.540 120.064 -5.524 18715 1563 1 3 . 1 1 72 72 SER HA H 72 4.625 4.625 4.365 0.260 18715 1564 1 3 . 1 1 72 72 SER CA C 72 57.319 57.319 57.964 -0.645 18715 1565 1 3 . 1 1 72 72 SER CB C 72 64.599 64.599 64.495 0.104 18715 1566 1 3 . 1 1 72 72 SER H H 72 8.045 8.045 8.346 -0.301 18715 1567 1 3 . 1 1 73 73 GLU N N 73 124.228 124.228 121.016 3.212 18715 1568 1 3 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.039 0.048 18715 1569 1 3 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.032 -0.652 18715 1570 1 3 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.608 -0.306 18715 1571 1 3 . 1 1 73 73 GLU H H 73 9.092 9.092 8.928 0.164 18715 1572 1 3 . 1 1 74 74 GLU N N 74 120.165 120.165 119.912 0.253 18715 1573 1 3 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.417 -0.128 18715 1574 1 3 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.085 1.143 18715 1575 1 3 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.723 -0.261 18715 1576 1 3 . 1 1 74 74 GLU H H 74 8.665 8.665 7.850 0.815 18715 1577 1 3 . 1 1 75 75 LEU N N 75 121.415 121.415 121.034 0.381 18715 1578 1 3 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.009 0.152 18715 1579 1 3 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.189 -0.236 18715 1580 1 3 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.931 -0.663 18715 1581 1 3 . 1 1 75 75 LEU H H 75 7.765 7.765 7.431 0.334 18715 1582 1 3 . 1 1 76 76 ARG N N 76 119.228 119.228 119.344 -0.116 18715 1583 1 3 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.998 -0.065 18715 1584 1 3 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.375 0.307 18715 1585 1 3 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.023 -0.826 18715 1586 1 3 . 1 1 76 76 ARG H H 76 7.868 7.868 8.153 -0.285 18715 1587 1 3 . 1 1 77 77 SER N N 77 114.228 114.228 115.755 -1.527 18715 1588 1 3 . 1 1 77 77 SER HA H 77 4.263 4.263 4.205 0.058 18715 1589 1 3 . 1 1 77 77 SER CA C 77 62.668 62.668 61.797 0.871 18715 1590 1 3 . 1 1 77 77 SER CB C 77 62.849 62.849 62.834 0.014 18715 1591 1 3 . 1 1 77 77 SER H H 77 8.576 8.576 8.160 0.416 18715 1592 1 3 . 1 1 78 78 LEU N N 78 125.790 125.790 124.098 1.692 18715 1593 1 3 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.310 0.111 18715 1594 1 3 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.945 1.017 18715 1595 1 3 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.198 0.845 18715 1596 1 3 . 1 1 78 78 LEU H H 78 8.458 8.458 8.142 0.316 18715 1597 1 3 . 1 1 79 79 TYR N N 79 119.852 119.852 119.397 0.455 18715 1598 1 3 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.103 -0.442 18715 1599 1 3 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.666 1.136 18715 1600 1 3 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.401 0.793 18715 1601 1 3 . 1 1 79 79 TYR H H 79 8.694 8.694 8.591 0.103 18715 1602 1 3 . 1 1 80 80 ASN N N 80 117.040 117.040 116.182 0.858 18715 1603 1 3 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.510 -0.226 18715 1604 1 3 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.364 -0.577 18715 1605 1 3 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.593 -0.754 18715 1606 1 3 . 1 1 80 80 ASN H H 80 8.871 8.871 8.279 0.592 18715 1607 1 3 . 1 1 81 81 THR N N 81 115.790 115.790 117.518 -1.728 18715 1608 1 3 . 1 1 81 81 THR HA H 81 3.945 3.945 4.487 -0.542 18715 1609 1 3 . 1 1 81 81 THR CA C 81 67.855 67.855 66.864 0.991 18715 1610 1 3 . 1 1 81 81 THR CB C 81 69.140 69.140 69.476 -0.336 18715 1611 1 3 . 1 1 81 81 THR H H 81 8.119 8.119 7.711 0.408 18715 1612 1 3 . 1 1 82 82 ILE N N 82 121.102 121.102 121.856 -0.754 18715 1613 1 3 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.752 -0.084 18715 1614 1 3 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.631 -1.111 18715 1615 1 3 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.415 -0.929 18715 1616 1 3 . 1 1 82 82 ILE H H 82 8.090 8.090 8.785 -0.695 18715 1617 1 3 . 1 1 83 83 ALA N N 83 125.165 125.165 122.620 2.545 18715 1618 1 3 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.915 -0.024 18715 1619 1 3 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.527 0.328 18715 1620 1 3 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.649 0.199 18715 1621 1 3 . 1 1 83 83 ALA H H 83 8.782 8.782 7.511 1.271 18715 1622 1 3 . 1 1 84 84 VAL N N 84 117.665 117.665 118.779 -1.114 18715 1623 1 3 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.680 -0.352 18715 1624 1 3 . 1 1 84 84 VAL CA C 84 67.465 67.465 65.666 1.799 18715 1625 1 3 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.844 -0.149 18715 1626 1 3 . 1 1 84 84 VAL H H 84 7.795 7.795 7.457 0.338 18715 1627 1 3 . 1 1 85 85 LEU N N 85 122.040 122.040 121.601 0.439 18715 1628 1 3 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.924 -0.109 18715 1629 1 3 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.993 0.317 18715 1630 1 3 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.707 0.441 18715 1631 1 3 . 1 1 85 85 LEU H H 85 8.163 8.163 8.385 -0.222 18715 1632 1 3 . 1 1 86 86 TYR N N 86 118.915 118.915 120.417 -1.502 18715 1633 1 3 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.033 -0.121 18715 1634 1 3 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.621 1.197 18715 1635 1 3 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.908 0.379 18715 1636 1 3 . 1 1 86 86 TYR H H 86 9.062 9.062 8.134 0.928 18715 1637 1 3 . 1 1 87 87 CYS N N 87 116.102 116.102 116.004 0.098 18715 1638 1 3 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.775 0.019 18715 1639 1 3 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.449 1.517 18715 1640 1 3 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.670 19.887 18715 1641 1 3 . 1 1 87 87 CYS H H 87 7.515 7.515 7.997 -0.482 18715 1642 1 3 . 1 1 88 88 VAL N N 88 119.978 119.978 118.732 1.246 18715 1643 1 3 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.817 0.061 18715 1644 1 3 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.058 1.387 18715 1645 1 3 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.391 0.105 18715 1646 1 3 . 1 1 88 88 VAL H H 88 8.448 8.448 7.419 1.029 18715 1647 1 3 . 1 1 89 89 HIS N N 89 118.915 118.915 115.086 3.829 18715 1648 1 3 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.517 0.358 18715 1649 1 3 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.833 0.287 18715 1650 1 3 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.202 -0.119 18715 1651 1 3 . 1 1 89 89 HIS H H 89 8.797 8.797 7.177 1.620 18715 1652 1 3 . 1 1 90 90 GLN N N 90 116.728 116.728 116.681 0.047 18715 1653 1 3 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.250 0.135 18715 1654 1 3 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.743 -1.454 18715 1655 1 3 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.333 0.619 18715 1656 1 3 . 1 1 90 90 GLN H H 90 7.986 7.986 7.675 0.311 18715 1657 1 3 . 1 1 91 91 ARG N N 91 115.165 115.165 115.045 0.120 18715 1658 1 3 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.306 -0.293 18715 1659 1 3 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.118 1.065 18715 1660 1 3 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.427 -5.378 18715 1661 1 3 . 1 1 91 91 ARG H H 91 7.883 7.883 7.689 0.194 18715 1662 1 3 . 1 1 92 92 ILE N N 92 120.087 120.087 123.605 -3.518 18715 1663 1 3 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.002 -0.017 18715 1664 1 3 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.387 -1.731 18715 1665 1 3 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.084 0.846 18715 1666 1 3 . 1 1 92 92 ILE H H 92 8.335 8.335 7.838 0.497 18715 1667 1 3 . 1 1 93 93 ASP N N 93 129.228 129.228 128.663 0.565 18715 1668 1 3 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.810 -0.325 18715 1669 1 3 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.994 2.049 18715 1670 1 3 . 1 1 93 93 ASP CB C 93 40.396 40.396 39.946 0.450 18715 1671 1 3 . 1 1 93 93 ASP H H 93 8.620 8.620 8.503 0.117 18715 1672 1 3 . 1 1 94 94 VAL N N 94 115.790 115.790 116.264 -0.474 18715 1673 1 3 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.097 0.536 18715 1674 1 3 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.103 -2.983 18715 1675 1 3 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.902 2.610 18715 1676 1 3 . 1 1 94 94 VAL H H 94 7.751 7.751 7.562 0.189 18715 1677 1 3 . 1 1 95 95 LYS N N 95 118.915 118.915 120.942 -2.027 18715 1678 1 3 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.234 0.159 18715 1679 1 3 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.029 -0.358 18715 1680 1 3 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.561 0.447 18715 1681 1 3 . 1 1 95 95 LYS H H 95 9.239 9.239 8.847 0.392 18715 1682 1 3 . 1 1 96 96 ASP N N 96 112.040 112.040 114.056 -2.016 18715 1683 1 3 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.271 0.291 18715 1684 1 3 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.483 0.346 18715 1685 1 3 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.908 0.696 18715 1686 1 3 . 1 1 96 96 ASP H H 96 7.412 7.412 7.490 -0.078 18715 1687 1 3 . 1 1 97 97 THR N N 97 109.540 109.540 115.083 -5.543 18715 1688 1 3 . 1 1 97 97 THR HA H 97 3.661 3.661 4.120 -0.459 18715 1689 1 3 . 1 1 97 97 THR CA C 97 65.947 65.947 65.697 0.250 18715 1690 1 3 . 1 1 97 97 THR CB C 97 70.285 70.285 68.912 1.373 18715 1691 1 3 . 1 1 97 97 THR H H 97 7.250 7.250 8.275 -1.025 18715 1692 1 3 . 1 1 98 98 LYS N N 98 121.102 121.102 122.275 -1.173 18715 1693 1 3 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.965 -0.020 18715 1694 1 3 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.869 -0.241 18715 1695 1 3 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.111 -0.184 18715 1696 1 3 . 1 1 98 98 LYS H H 98 7.868 7.868 8.090 -0.222 18715 1697 1 3 . 1 1 99 99 GLU N N 99 119.228 119.228 118.364 0.864 18715 1698 1 3 . 1 1 99 99 GLU HA H 99 4.077 4.077 3.995 0.082 18715 1699 1 3 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.424 0.371 18715 1700 1 3 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.585 0.661 18715 1701 1 3 . 1 1 99 99 GLU H H 99 8.384 8.384 8.449 -0.065 18715 1702 1 3 . 1 1 100 100 ALA N N 100 118.915 118.915 122.827 -3.912 18715 1703 1 3 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.097 0.289 18715 1704 1 3 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.108 0.288 18715 1705 1 3 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.519 1.240 18715 1706 1 3 . 1 1 100 100 ALA H H 100 7.382 7.382 7.281 0.101 18715 1707 1 3 . 1 1 101 101 LEU N N 101 117.978 117.978 118.440 -0.462 18715 1708 1 3 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.932 0.088 18715 1709 1 3 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.853 0.122 18715 1710 1 3 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.463 0.030 18715 1711 1 3 . 1 1 101 101 LEU H H 101 8.119 8.119 8.081 0.038 18715 1712 1 3 . 1 1 102 102 ASP N N 102 120.478 120.478 119.011 1.467 18715 1713 1 3 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.414 -0.047 18715 1714 1 3 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.589 -0.237 18715 1715 1 3 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.972 -1.250 18715 1716 1 3 . 1 1 102 102 ASP H H 102 8.679 8.679 7.977 0.702 18715 1717 1 3 . 1 1 103 103 LYS N N 103 120.165 120.165 119.540 0.625 18715 1718 1 3 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.119 0.045 18715 1719 1 3 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.321 -0.957 18715 1720 1 3 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.503 -0.971 18715 1721 1 3 . 1 1 103 103 LYS H H 103 8.207 8.207 7.655 0.552 18715 1722 1 3 . 1 1 104 104 ILE N N 104 119.852 119.852 118.751 1.101 18715 1723 1 3 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.847 -0.037 18715 1724 1 3 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.856 -0.248 18715 1725 1 3 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.837 -0.403 18715 1726 1 3 . 1 1 104 104 ILE H H 104 8.163 8.163 8.361 -0.198 18715 1727 1 3 . 1 1 105 105 GLU N N 105 121.415 121.415 120.719 0.696 18715 1728 1 3 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.046 -0.011 18715 1729 1 3 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.527 0.107 18715 1730 1 3 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.770 2.986 18715 1731 1 3 . 1 1 105 105 GLU H H 105 8.001 8.001 8.056 -0.055 18715 1732 1 3 . 1 1 106 106 GLU N N 106 119.228 119.228 119.805 -0.577 18715 1733 1 3 . 1 1 106 106 GLU HA H 106 4.090 4.090 3.990 0.100 18715 1734 1 3 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.588 -0.321 18715 1735 1 3 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.685 -0.088 18715 1736 1 3 . 1 1 106 106 GLU H H 106 8.031 8.031 8.259 -0.228 18715 1737 1 3 . 1 1 107 107 GLU N N 107 118.915 118.915 117.778 1.137 18715 1738 1 3 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.052 0.021 18715 1739 1 3 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.208 0.133 18715 1740 1 3 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.650 0.220 18715 1741 1 3 . 1 1 107 107 GLU H H 107 8.016 8.016 7.741 0.275 18715 1742 1 3 . 1 1 108 108 GLN N N 108 118.290 118.290 117.635 0.655 18715 1743 1 3 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.127 0.020 18715 1744 1 3 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.252 0.156 18715 1745 1 3 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.666 0.179 18715 1746 1 3 . 1 1 108 108 GLN H H 108 8.252 8.252 7.585 0.667 18715 1747 1 3 . 1 1 109 109 ASN N N 109 118.290 118.290 118.810 -0.520 18715 1748 1 3 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.389 0.228 18715 1749 1 3 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.602 -1.720 18715 1750 1 3 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.354 0.171 18715 1751 1 3 . 1 1 109 109 ASN H H 109 8.252 8.252 7.845 0.407 18715 1752 1 3 . 1 1 110 110 LYS N N 110 120.478 120.478 118.096 2.382 18715 1753 1 3 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.015 0.215 18715 1754 1 3 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.194 -0.883 18715 1755 1 3 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.327 0.364 18715 1756 1 3 . 1 1 110 110 LYS H H 110 8.031 8.031 7.825 0.206 18715 1757 1 3 . 1 1 111 111 SER N N 111 114.540 114.540 114.435 0.105 18715 1758 1 3 . 1 1 111 111 SER HA H 111 4.368 4.368 4.418 -0.050 18715 1759 1 3 . 1 1 111 111 SER CA C 111 59.764 59.764 60.796 -1.032 18715 1760 1 3 . 1 1 111 111 SER CB C 111 63.442 63.442 63.290 0.152 18715 1761 1 3 . 1 1 111 111 SER H H 111 8.031 8.031 7.866 0.165 18715 1762 1 3 . 1 1 112 112 LYS N N 112 122.040 122.040 121.193 0.847 18715 1763 1 3 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.051 0.194 18715 1764 1 3 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.061 -1.732 18715 1765 1 3 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.575 0.200 18715 1766 1 3 . 1 1 112 112 LYS H H 112 7.957 7.957 8.040 -0.083 18715 1767 1 3 . 1 1 113 113 LYS N N 113 120.790 120.790 116.416 4.374 18715 1768 1 3 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.323 -0.173 18715 1769 1 3 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.085 1.049 18715 1770 1 3 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.599 0.167 18715 1771 1 3 . 1 1 113 113 LYS H H 113 8.016 8.016 7.809 0.207 18715 1772 1 3 . 1 1 114 114 LYS N N 114 121.728 121.728 120.635 1.093 18715 1773 1 3 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.328 -0.065 18715 1774 1 3 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.893 1.292 18715 1775 1 3 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.116 0.741 18715 1776 1 3 . 1 1 114 114 LYS H H 114 8.119 8.119 7.631 0.488 18715 1777 1 3 . 1 1 115 115 ALA N N 115 124.228 124.228 120.456 3.772 18715 1778 1 3 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.669 -0.401 18715 1779 1 3 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.225 0.810 18715 1780 1 3 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.252 -0.214 18715 1781 1 3 . 1 1 115 115 ALA H H 115 8.178 8.178 7.910 0.268 18715 1782 1 3 . 1 1 116 116 GLN N N 116 119.228 119.228 118.523 0.705 18715 1783 1 3 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.403 -0.155 18715 1784 1 3 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.397 1.152 18715 1785 1 3 . 1 1 116 116 GLN H H 116 8.237 8.237 8.095 0.142 18715 1786 1 3 . 1 1 117 117 GLN N N 117 120.478 120.478 116.847 3.631 18715 1787 1 3 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.024 0.244 18715 1788 1 3 . 1 1 117 117 GLN CA C 117 56.324 56.324 56.642 -0.318 18715 1789 1 3 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.877 1.729 18715 1790 1 3 . 1 1 117 117 GLN H H 117 8.266 8.266 8.558 -0.292 18715 1791 1 3 . 1 1 118 118 ALA N N 118 124.852 124.852 119.575 5.277 18715 1792 1 3 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.255 0.021 18715 1793 1 3 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.282 0.555 18715 1794 1 3 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.648 0.414 18715 1795 1 3 . 1 1 118 118 ALA H H 118 8.266 8.266 7.971 0.295 18715 1796 1 3 . 1 1 119 119 ALA N N 119 122.978 122.978 121.953 1.025 18715 1797 1 3 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.640 -0.346 18715 1798 1 3 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.769 0.868 18715 1799 1 3 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.476 0.725 18715 1800 1 3 . 1 1 119 119 ALA H H 119 8.163 8.163 8.265 -0.102 18715 1801 1 3 . 1 1 120 120 ALA N N 120 122.665 122.665 120.808 1.857 18715 1802 1 3 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.470 -0.193 18715 1803 1 3 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.012 -0.276 18715 1804 1 3 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.642 -0.475 18715 1805 1 3 . 1 1 120 120 ALA H H 120 8.163 8.163 7.658 0.505 18715 1806 1 3 . 1 1 121 121 ASP N N 121 119.228 119.228 118.623 0.605 18715 1807 1 3 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.550 0.132 18715 1808 1 3 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.576 -1.312 18715 1809 1 3 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.181 -0.053 18715 1810 1 3 . 1 1 121 121 ASP H H 121 8.252 8.252 8.520 -0.268 18715 1811 1 3 . 1 1 122 122 THR N N 122 113.602 113.602 113.687 -0.085 18715 1812 1 3 . 1 1 122 122 THR HA H 122 4.358 4.358 4.349 0.009 18715 1813 1 3 . 1 1 122 122 THR CA C 122 61.971 61.971 62.025 -0.054 18715 1814 1 3 . 1 1 122 122 THR CB C 122 69.586 69.586 69.678 -0.092 18715 1815 1 3 . 1 1 122 122 THR H H 122 8.075 8.075 7.841 0.234 18715 1816 1 3 . 1 1 123 123 GLY N N 123 110.478 110.478 109.161 1.317 18715 1817 1 3 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.956 0.647 18715 1818 1 3 . 1 1 123 123 GLY H H 123 8.414 8.414 8.393 0.021 18715 1819 1 3 . 1 1 124 124 ASN N N 124 118.602 118.602 119.064 -0.462 18715 1820 1 3 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.672 -0.064 18715 1821 1 3 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.123 2.610 18715 1822 1 3 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.112 -1.574 18715 1823 1 3 . 1 1 124 124 ASN H H 124 8.266 8.266 8.207 0.059 18715 1824 1 3 . 1 1 125 125 ASN N N 125 119.228 119.228 119.500 -0.272 18715 1825 1 3 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.727 -0.003 18715 1826 1 3 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.555 -0.102 18715 1827 1 3 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.874 -0.061 18715 1828 1 3 . 1 1 125 125 ASN H H 125 8.443 8.443 8.696 -0.253 18715 1829 1 3 . 1 1 126 126 SER N N 126 115.790 115.790 117.143 -1.353 18715 1830 1 3 . 1 1 126 126 SER HA H 126 4.388 4.388 4.720 -0.332 18715 1831 1 3 . 1 1 126 126 SER CA C 126 58.851 58.851 57.497 1.354 18715 1832 1 3 . 1 1 126 126 SER CB C 126 63.926 63.926 65.418 -1.492 18715 1833 1 3 . 1 1 126 126 SER H H 126 8.266 8.266 8.148 0.118 18715 1834 1 3 . 1 1 127 127 GLN N N 127 121.728 121.728 119.369 2.359 18715 1835 1 3 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.471 -0.148 18715 1836 1 3 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.094 1.129 18715 1837 1 3 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.118 0.050 18715 1838 1 3 . 1 1 127 127 GLN H H 127 8.355 8.355 8.338 0.017 18715 1839 1 3 . 1 1 128 128 VAL N N 128 119.852 119.852 119.839 0.013 18715 1840 1 3 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.168 -0.059 18715 1841 1 3 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.525 0.140 18715 1842 1 3 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.699 0.070 18715 1843 1 3 . 1 1 128 128 VAL H H 128 7.986 7.986 8.292 -0.306 18715 1844 1 3 . 1 1 129 129 SER N N 129 117.978 117.978 121.072 -3.094 18715 1845 1 3 . 1 1 129 129 SER HA H 129 4.136 4.136 4.695 -0.559 18715 1846 1 3 . 1 1 129 129 SER CA C 129 58.404 58.404 57.403 1.001 18715 1847 1 3 . 1 1 129 129 SER CB C 129 63.755 63.755 64.110 -0.355 18715 1848 1 3 . 1 1 129 129 SER H H 129 8.252 8.252 8.292 -0.040 18715 1849 1 3 . 1 1 130 130 GLN N N 130 121.728 121.728 122.024 -0.296 18715 1850 1 3 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.215 0.140 18715 1851 1 3 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.563 0.587 18715 1852 1 3 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.322 0.051 18715 1853 1 3 . 1 1 130 130 GLN H H 130 8.355 8.355 8.498 -0.143 18715 1854 1 3 . 1 1 131 131 ASN N N 131 118.290 118.290 116.555 1.735 18715 1855 1 3 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.181 0.451 18715 1856 1 3 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.918 -0.350 18715 1857 1 3 . 1 1 131 131 ASN H H 131 8.252 8.252 8.414 -0.162 18715 1858 1 4 . 1 1 3 3 ALA N N 3 123.842 123.842 122.836 1.006 18715 1859 1 4 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.554 -0.226 18715 1860 1 4 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.027 0.510 18715 1861 1 4 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.618 -2.367 18715 1862 1 4 . 1 1 3 3 ALA H H 3 8.183 8.183 7.900 0.283 18715 1863 1 4 . 1 1 4 4 ARG N N 4 120.165 120.165 119.806 0.359 18715 1864 1 4 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.533 -0.277 18715 1865 1 4 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.058 -0.093 18715 1866 1 4 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.193 -0.232 18715 1867 1 4 . 1 1 4 4 ARG H H 4 8.429 8.429 8.145 0.284 18715 1868 1 4 . 1 1 5 5 ALA N N 5 125.165 125.165 124.465 0.700 18715 1869 1 4 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.407 -0.125 18715 1870 1 4 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.012 0.359 18715 1871 1 4 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.516 -0.844 18715 1872 1 4 . 1 1 5 5 ALA H H 5 8.370 8.370 8.363 0.007 18715 1873 1 4 . 1 1 6 6 SER N N 6 114.540 114.540 118.988 -4.448 18715 1874 1 4 . 1 1 6 6 SER HA H 6 4.479 4.479 4.659 -0.180 18715 1875 1 4 . 1 1 6 6 SER CA C 6 57.804 57.804 57.517 0.287 18715 1876 1 4 . 1 1 6 6 SER CB C 6 64.034 64.034 63.014 1.020 18715 1877 1 4 . 1 1 6 6 SER H H 6 8.134 8.134 8.758 -0.624 18715 1878 1 4 . 1 1 7 7 VAL N N 7 121.415 121.415 125.959 -4.544 18715 1879 1 4 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.879 -0.262 18715 1880 1 4 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.054 1.657 18715 1881 1 4 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.225 -0.289 18715 1882 1 4 . 1 1 7 7 VAL H H 7 8.119 8.119 8.415 -0.296 18715 1883 1 4 . 1 1 8 8 LEU N N 8 115.478 115.478 117.817 -2.339 18715 1884 1 4 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.741 0.191 18715 1885 1 4 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.094 -0.587 18715 1886 1 4 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.479 0.824 18715 1887 1 4 . 1 1 8 8 LEU H H 8 7.382 7.382 7.548 -0.166 18715 1888 1 4 . 1 1 9 9 SER N N 9 118.290 118.290 119.423 -1.133 18715 1889 1 4 . 1 1 9 9 SER HA H 9 4.606 4.606 4.467 0.139 18715 1890 1 4 . 1 1 9 9 SER CA C 9 57.197 57.197 57.609 -0.412 18715 1891 1 4 . 1 1 9 9 SER CB C 9 65.426 65.426 65.074 0.352 18715 1892 1 4 . 1 1 9 9 SER H H 9 9.166 9.166 8.820 0.346 18715 1893 1 4 . 1 1 10 10 GLY N N 10 109.228 109.228 108.484 0.744 18715 1894 1 4 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.005 0.669 18715 1895 1 4 . 1 1 10 10 GLY H H 10 8.959 8.959 8.705 0.254 18715 1896 1 4 . 1 1 11 11 GLY N N 11 111.102 111.102 109.876 1.226 18715 1897 1 4 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.430 0.231 18715 1898 1 4 . 1 1 11 11 GLY H H 11 8.782 8.782 7.789 0.993 18715 1899 1 4 . 1 1 12 12 GLU N N 12 120.165 120.165 122.295 -2.130 18715 1900 1 4 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.005 -0.055 18715 1901 1 4 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.709 0.387 18715 1902 1 4 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.445 1.845 18715 1903 1 4 . 1 1 12 12 GLU H H 12 7.751 7.751 7.588 0.163 18715 1904 1 4 . 1 1 13 13 LEU N N 13 121.415 121.415 121.877 -0.462 18715 1905 1 4 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.063 0.045 18715 1906 1 4 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.321 -0.259 18715 1907 1 4 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.756 -0.820 18715 1908 1 4 . 1 1 13 13 LEU H H 13 8.340 8.340 8.370 -0.030 18715 1909 1 4 . 1 1 14 14 ASP N N 14 116.415 116.415 119.123 -2.708 18715 1910 1 4 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.348 0.045 18715 1911 1 4 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.447 -0.311 18715 1912 1 4 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.690 0.396 18715 1913 1 4 . 1 1 14 14 ASP H H 14 7.574 7.574 7.825 -0.251 18715 1914 1 4 . 1 1 15 15 LYS N N 15 115.478 115.478 119.825 -4.347 18715 1915 1 4 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.131 -0.085 18715 1916 1 4 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.431 -1.030 18715 1917 1 4 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.371 -0.012 18715 1918 1 4 . 1 1 15 15 LYS H H 15 7.117 7.117 7.695 -0.578 18715 1919 1 4 . 1 1 16 16 TRP N N 16 121.693 121.693 121.232 0.461 18715 1920 1 4 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.149 -0.124 18715 1921 1 4 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.547 -0.261 18715 1922 1 4 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.608 1.505 18715 1923 1 4 . 1 1 16 16 TRP H H 16 8.646 8.646 8.226 0.420 18715 1924 1 4 . 1 1 17 17 GLU N N 17 127.710 127.710 116.688 11.022 18715 1925 1 4 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.346 0.345 18715 1926 1 4 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.927 -2.158 18715 1927 1 4 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.450 0.295 18715 1928 1 4 . 1 1 17 17 GLU H H 17 7.571 7.571 8.141 -0.570 18715 1929 1 4 . 1 1 18 18 LYS N N 18 115.790 115.790 118.306 -2.516 18715 1930 1 4 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.155 0.342 18715 1931 1 4 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.985 -2.416 18715 1932 1 4 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.133 0.806 18715 1933 1 4 . 1 1 18 18 LYS H H 18 7.456 7.456 7.221 0.235 18715 1934 1 4 . 1 1 19 19 ILE N N 19 124.228 124.228 119.416 4.812 18715 1935 1 4 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.933 -0.376 18715 1936 1 4 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.610 -0.490 18715 1937 1 4 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.621 0.561 18715 1938 1 4 . 1 1 19 19 ILE H H 19 7.633 7.633 8.073 -0.440 18715 1939 1 4 . 1 1 20 20 ARG N N 20 125.790 125.790 123.985 1.805 18715 1940 1 4 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.540 -0.112 18715 1941 1 4 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.060 1.435 18715 1942 1 4 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.601 -0.064 18715 1943 1 4 . 1 1 20 20 ARG H H 20 8.031 8.031 8.404 -0.373 18715 1944 1 4 . 1 1 21 21 LEU N N 21 120.165 120.165 120.694 -0.529 18715 1945 1 4 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.855 -0.409 18715 1946 1 4 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.740 1.495 18715 1947 1 4 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.128 -0.593 18715 1948 1 4 . 1 1 21 21 LEU H H 21 7.810 7.810 7.981 -0.171 18715 1949 1 4 . 1 1 22 22 ARG N N 22 119.540 119.540 114.988 4.552 18715 1950 1 4 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.607 0.238 18715 1951 1 4 . 1 1 22 22 ARG CA C 22 52.844 52.844 52.812 0.032 18715 1952 1 4 . 1 1 22 22 ARG CB C 22 31.617 31.617 29.842 1.775 18715 1953 1 4 . 1 1 22 22 ARG H H 22 8.974 8.974 7.418 1.556 18715 1954 1 4 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.400 -0.040 18715 1955 1 4 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.114 -0.678 18715 1956 1 4 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.132 -0.567 18715 1957 1 4 . 1 1 24 24 GLY N N 24 112.665 112.665 107.525 5.140 18715 1958 1 4 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.743 1.062 18715 1959 1 4 . 1 1 24 24 GLY H H 24 9.138 9.138 8.030 1.108 18715 1960 1 4 . 1 1 25 25 GLY N N 25 107.978 107.978 108.167 -0.189 18715 1961 1 4 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.449 0.123 18715 1962 1 4 . 1 1 25 25 GLY H H 25 8.134 8.134 7.653 0.481 18715 1963 1 4 . 1 1 26 26 LYS N N 26 117.665 117.665 119.623 -1.958 18715 1964 1 4 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.418 -0.154 18715 1965 1 4 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.576 1.277 18715 1966 1 4 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.591 1.465 18715 1967 1 4 . 1 1 26 26 LYS H H 26 8.665 8.665 8.447 0.218 18715 1968 1 4 . 1 1 27 27 LYS N N 27 117.925 117.925 119.699 -1.774 18715 1969 1 4 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.469 -0.158 18715 1970 1 4 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.121 2.090 18715 1971 1 4 . 1 1 27 27 LYS CB C 27 33.878 33.878 33.799 0.079 18715 1972 1 4 . 1 1 27 27 LYS H H 27 7.817 7.817 7.857 -0.040 18715 1973 1 4 . 1 1 28 28 GLN N N 28 122.978 122.978 119.755 3.223 18715 1974 1 4 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.376 0.440 18715 1975 1 4 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.612 -0.139 18715 1976 1 4 . 1 1 28 28 GLN CB C 28 34.054 34.054 31.144 2.910 18715 1977 1 4 . 1 1 28 28 GLN H H 28 8.458 8.458 8.334 0.124 18715 1978 1 4 . 1 1 29 29 TYR N N 29 119.540 119.540 119.170 0.370 18715 1979 1 4 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.454 -0.722 18715 1980 1 4 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.964 1.046 18715 1981 1 4 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.413 -2.197 18715 1982 1 4 . 1 1 29 29 TYR H H 29 7.824 7.824 8.352 -0.528 18715 1983 1 4 . 1 1 30 30 LYS N N 30 117.978 117.978 120.093 -2.115 18715 1984 1 4 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.856 0.360 18715 1985 1 4 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.786 -0.721 18715 1986 1 4 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.170 2.418 18715 1987 1 4 . 1 1 30 30 LYS H H 30 10.610 10.610 9.175 1.435 18715 1988 1 4 . 1 1 31 31 LEU N N 31 128.602 128.602 123.402 5.200 18715 1989 1 4 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.141 0.040 18715 1990 1 4 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.300 0.934 18715 1991 1 4 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.004 -0.002 18715 1992 1 4 . 1 1 31 31 LEU H H 31 9.991 9.991 9.133 0.858 18715 1993 1 4 . 1 1 32 32 LYS N N 32 115.165 115.165 118.817 -3.652 18715 1994 1 4 . 1 1 32 32 LYS HA H 32 4.145 4.145 4.006 0.139 18715 1995 1 4 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.377 -0.280 18715 1996 1 4 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.679 -0.120 18715 1997 1 4 . 1 1 32 32 LYS H H 32 8.399 8.399 8.698 -0.299 18715 1998 1 4 . 1 1 33 33 HIS N N 33 119.540 119.540 117.364 2.176 18715 1999 1 4 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.686 -0.082 18715 2000 1 4 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.641 3.250 18715 2001 1 4 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.481 2.303 18715 2002 1 4 . 1 1 33 33 HIS H H 33 8.193 8.193 7.897 0.296 18715 2003 1 4 . 1 1 34 34 ILE N N 34 119.540 119.540 119.979 -0.439 18715 2004 1 4 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.767 0.027 18715 2005 1 4 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.031 -1.183 18715 2006 1 4 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.589 -0.610 18715 2007 1 4 . 1 1 34 34 ILE H H 34 7.898 7.898 7.499 0.399 18715 2008 1 4 . 1 1 35 35 VAL N N 35 122.040 122.040 119.385 2.655 18715 2009 1 4 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.790 -0.178 18715 2010 1 4 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.479 0.267 18715 2011 1 4 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.979 0.163 18715 2012 1 4 . 1 1 35 35 VAL H H 35 7.706 7.706 8.540 -0.834 18715 2013 1 4 . 1 1 36 36 TRP N N 36 119.986 119.986 122.097 -2.111 18715 2014 1 4 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.255 -0.022 18715 2015 1 4 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.872 0.238 18715 2016 1 4 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.639 -1.226 18715 2017 1 4 . 1 1 36 36 TRP H H 36 8.452 8.452 7.971 0.481 18715 2018 1 4 . 1 1 37 37 ALA N N 37 120.478 120.478 119.704 0.774 18715 2019 1 4 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.715 -0.325 18715 2020 1 4 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.910 0.203 18715 2021 1 4 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.427 -0.997 18715 2022 1 4 . 1 1 37 37 ALA H H 37 8.311 8.311 8.328 -0.017 18715 2023 1 4 . 1 1 38 38 SER N N 38 111.415 111.415 114.955 -3.540 18715 2024 1 4 . 1 1 38 38 SER HA H 38 3.906 3.906 4.103 -0.197 18715 2025 1 4 . 1 1 38 38 SER CA C 38 62.801 62.801 62.357 0.444 18715 2026 1 4 . 1 1 38 38 SER CB C 38 62.829 62.829 63.045 -0.216 18715 2027 1 4 . 1 1 38 38 SER H H 38 8.259 8.259 7.615 0.644 18715 2028 1 4 . 1 1 39 39 ARG N N 39 119.852 119.852 122.378 -2.526 18715 2029 1 4 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.012 0.134 18715 2030 1 4 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.349 -0.939 18715 2031 1 4 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.182 -0.174 18715 2032 1 4 . 1 1 39 39 ARG H H 39 7.559 7.559 7.567 -0.008 18715 2033 1 4 . 1 1 40 40 GLU N N 40 121.102 121.102 119.094 2.008 18715 2034 1 4 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.895 -0.108 18715 2035 1 4 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.787 -0.506 18715 2036 1 4 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.922 0.752 18715 2037 1 4 . 1 1 40 40 GLU H H 40 8.222 8.222 7.495 0.727 18715 2038 1 4 . 1 1 41 41 LEU N N 41 117.040 117.040 120.527 -3.487 18715 2039 1 4 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.110 -0.157 18715 2040 1 4 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.016 0.307 18715 2041 1 4 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.038 -1.858 18715 2042 1 4 . 1 1 41 41 LEU H H 41 8.016 8.016 7.748 0.268 18715 2043 1 4 . 1 1 42 42 GLU N N 42 117.352 117.352 118.667 -1.315 18715 2044 1 4 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.029 0.098 18715 2045 1 4 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.188 0.383 18715 2046 1 4 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.327 0.338 18715 2047 1 4 . 1 1 42 42 GLU H H 42 7.559 7.559 7.773 -0.214 18715 2048 1 4 . 1 1 43 43 ARG N N 43 119.540 119.540 118.705 0.835 18715 2049 1 4 . 1 1 43 43 ARG HA H 43 4.042 4.042 3.996 0.046 18715 2050 1 4 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.442 0.048 18715 2051 1 4 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.163 -0.498 18715 2052 1 4 . 1 1 43 43 ARG H H 43 7.647 7.647 7.294 0.353 18715 2053 1 4 . 1 1 44 44 PHE N N 44 117.665 117.665 118.330 -0.665 18715 2054 1 4 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.625 -0.011 18715 2055 1 4 . 1 1 44 44 PHE CA C 44 57.358 57.358 57.171 0.187 18715 2056 1 4 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.391 0.775 18715 2057 1 4 . 1 1 44 44 PHE H H 44 7.529 7.529 7.735 -0.206 18715 2058 1 4 . 1 1 45 45 ALA N N 45 118.915 118.915 119.329 -0.414 18715 2059 1 4 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.937 0.078 18715 2060 1 4 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.259 0.155 18715 2061 1 4 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.843 -0.564 18715 2062 1 4 . 1 1 45 45 ALA H H 45 7.928 7.928 7.665 0.263 18715 2063 1 4 . 1 1 46 46 VAL N N 46 119.540 119.540 118.672 0.868 18715 2064 1 4 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.165 -0.071 18715 2065 1 4 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.977 -0.156 18715 2066 1 4 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.311 0.055 18715 2067 1 4 . 1 1 46 46 VAL H H 46 7.765 7.765 7.599 0.166 18715 2068 1 4 . 1 1 47 47 ASN N N 47 125.790 125.790 126.954 -1.164 18715 2069 1 4 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.769 -0.123 18715 2070 1 4 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.717 -1.720 18715 2071 1 4 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.250 0.836 18715 2072 1 4 . 1 1 47 47 ASN H H 47 8.399 8.399 8.843 -0.444 18715 2073 1 4 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.399 -0.177 18715 2074 1 4 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.369 -0.055 18715 2075 1 4 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.736 0.004 18715 2076 1 4 . 1 1 49 49 GLY N N 49 108.290 108.290 107.717 0.573 18715 2077 1 4 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.175 0.354 18715 2078 1 4 . 1 1 49 49 GLY H H 49 8.620 8.620 8.617 0.003 18715 2079 1 4 . 1 1 50 50 LEU N N 50 121.728 121.728 121.603 0.125 18715 2080 1 4 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.157 -0.011 18715 2081 1 4 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.125 1.116 18715 2082 1 4 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.782 -0.219 18715 2083 1 4 . 1 1 50 50 LEU H H 50 7.765 7.765 7.519 0.246 18715 2084 1 4 . 1 1 51 51 LEU N N 51 112.040 112.040 118.351 -6.311 18715 2085 1 4 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.172 0.066 18715 2086 1 4 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.160 -0.652 18715 2087 1 4 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.016 0.474 18715 2088 1 4 . 1 1 51 51 LEU H H 51 7.412 7.412 7.772 -0.360 18715 2089 1 4 . 1 1 52 52 GLU N N 52 114.540 114.540 113.963 0.577 18715 2090 1 4 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.331 -0.276 18715 2091 1 4 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.191 3.193 18715 2092 1 4 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.516 1.542 18715 2093 1 4 . 1 1 52 52 GLU H H 52 7.500 7.500 7.503 -0.003 18715 2094 1 4 . 1 1 53 53 THR N N 53 122.978 122.978 111.280 11.698 18715 2095 1 4 . 1 1 53 53 THR HA H 53 4.402 4.402 4.475 -0.073 18715 2096 1 4 . 1 1 53 53 THR CA C 53 58.306 58.306 60.902 -2.596 18715 2097 1 4 . 1 1 53 53 THR CB C 53 73.222 73.222 71.827 1.395 18715 2098 1 4 . 1 1 53 53 THR H H 53 7.235 7.235 7.560 -0.325 18715 2099 1 4 . 1 1 54 54 SER N N 54 119.228 119.228 121.101 -1.873 18715 2100 1 4 . 1 1 54 54 SER HA H 54 4.043 4.043 4.323 -0.280 18715 2101 1 4 . 1 1 54 54 SER CA C 54 62.657 62.657 61.325 1.332 18715 2102 1 4 . 1 1 54 54 SER CB C 54 62.562 62.562 63.114 -0.552 18715 2103 1 4 . 1 1 54 54 SER H H 54 9.313 9.313 8.968 0.345 18715 2104 1 4 . 1 1 55 55 GLU N N 55 121.233 121.233 119.774 1.459 18715 2105 1 4 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.288 -0.219 18715 2106 1 4 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.796 0.879 18715 2107 1 4 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.610 -0.611 18715 2108 1 4 . 1 1 55 55 GLU H H 55 8.975 8.975 8.593 0.382 18715 2109 1 4 . 1 1 56 56 GLY N N 56 110.790 110.790 108.989 1.801 18715 2110 1 4 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.328 0.538 18715 2111 1 4 . 1 1 56 56 GLY H H 56 8.517 8.517 8.247 0.270 18715 2112 1 4 . 1 1 57 57 CYS N N 57 118.602 118.602 119.610 -1.008 18715 2113 1 4 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.163 -0.143 18715 2114 1 4 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.542 2.060 18715 2115 1 4 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.133 20.662 18715 2116 1 4 . 1 1 57 57 CYS H H 57 8.122 8.122 8.202 -0.080 18715 2117 1 4 . 1 1 58 58 ARG N N 58 119.540 119.540 118.343 1.197 18715 2118 1 4 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.436 0.114 18715 2119 1 4 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.067 0.640 18715 2120 1 4 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.886 -0.437 18715 2121 1 4 . 1 1 58 58 ARG H H 58 8.488 8.488 7.603 0.885 18715 2122 1 4 . 1 1 59 59 GLN N N 59 119.852 119.852 118.689 1.163 18715 2123 1 4 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.085 -0.033 18715 2124 1 4 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.621 0.779 18715 2125 1 4 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.929 -0.695 18715 2126 1 4 . 1 1 59 59 GLN H H 59 8.016 8.016 7.592 0.424 18715 2127 1 4 . 1 1 60 60 ILE N N 60 120.790 120.790 119.877 0.913 18715 2128 1 4 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.734 -0.123 18715 2129 1 4 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.375 0.215 18715 2130 1 4 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.779 0.071 18715 2131 1 4 . 1 1 60 60 ILE H H 60 8.163 8.163 8.514 -0.351 18715 2132 1 4 . 1 1 61 61 LEU N N 61 118.915 118.915 117.878 1.037 18715 2133 1 4 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.142 -0.247 18715 2134 1 4 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.249 1.405 18715 2135 1 4 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.243 -0.467 18715 2136 1 4 . 1 1 61 61 LEU H H 61 8.370 8.370 7.694 0.676 18715 2137 1 4 . 1 1 62 62 GLY N N 62 104.332 104.332 107.593 -3.261 18715 2138 1 4 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.850 0.334 18715 2139 1 4 . 1 1 62 62 GLY H H 62 7.883 7.883 7.877 0.006 18715 2140 1 4 . 1 1 63 63 GLN N N 63 119.852 119.852 119.122 0.730 18715 2141 1 4 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.196 -0.044 18715 2142 1 4 . 1 1 63 63 GLN CA C 63 57.994 57.994 58.285 -0.291 18715 2143 1 4 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.109 0.090 18715 2144 1 4 . 1 1 63 63 GLN H H 63 7.795 7.795 7.609 0.186 18715 2145 1 4 . 1 1 64 64 LEU N N 64 117.040 117.040 119.695 -2.655 18715 2146 1 4 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.058 0.223 18715 2147 1 4 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.581 -0.480 18715 2148 1 4 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.966 2.277 18715 2149 1 4 . 1 1 64 64 LEU H H 64 8.252 8.252 7.477 0.775 18715 2150 1 4 . 1 1 65 65 GLN N N 65 118.915 118.915 119.758 -0.843 18715 2151 1 4 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.831 -0.052 18715 2152 1 4 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.999 0.548 18715 2153 1 4 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.835 -0.971 18715 2154 1 4 . 1 1 65 65 GLN H H 65 8.104 8.104 8.336 -0.232 18715 2155 1 4 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.308 0.075 18715 2156 1 4 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.835 1.082 18715 2157 1 4 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.196 -0.097 18715 2158 1 4 . 1 1 67 67 SER N N 67 111.415 111.415 113.897 -2.482 18715 2159 1 4 . 1 1 67 67 SER HA H 67 4.493 4.493 4.349 0.144 18715 2160 1 4 . 1 1 67 67 SER CA C 67 59.696 59.696 60.955 -1.259 18715 2161 1 4 . 1 1 67 67 SER CB C 67 64.031 64.031 63.207 0.824 18715 2162 1 4 . 1 1 67 67 SER H H 67 7.824 7.824 7.563 0.261 18715 2163 1 4 . 1 1 68 68 LEU N N 68 121.102 121.102 121.952 -0.850 18715 2164 1 4 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.832 -0.016 18715 2165 1 4 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.019 -0.071 18715 2166 1 4 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.307 0.462 18715 2167 1 4 . 1 1 68 68 LEU H H 68 7.647 7.647 7.963 -0.316 18715 2168 1 4 . 1 1 69 69 GLN N N 69 116.415 116.415 118.901 -2.486 18715 2169 1 4 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.075 -0.006 18715 2170 1 4 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.253 0.217 18715 2171 1 4 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.807 -0.379 18715 2172 1 4 . 1 1 69 69 GLN H H 69 8.060 8.060 8.403 -0.343 18715 2173 1 4 . 1 1 70 70 THR N N 70 106.728 106.728 111.988 -5.260 18715 2174 1 4 . 1 1 70 70 THR HA H 70 4.481 4.481 4.539 -0.058 18715 2175 1 4 . 1 1 70 70 THR CA C 70 61.291 61.291 61.700 -0.409 18715 2176 1 4 . 1 1 70 70 THR CB C 70 69.415 69.415 69.134 0.281 18715 2177 1 4 . 1 1 70 70 THR H H 70 7.515 7.515 7.630 -0.115 18715 2178 1 4 . 1 1 71 71 GLY N N 71 109.540 109.540 111.098 -1.558 18715 2179 1 4 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.526 1.027 18715 2180 1 4 . 1 1 71 71 GLY H H 71 7.692 7.692 7.466 0.226 18715 2181 1 4 . 1 1 72 72 SER N N 72 114.540 114.540 114.721 -0.181 18715 2182 1 4 . 1 1 72 72 SER HA H 72 4.625 4.625 4.715 -0.090 18715 2183 1 4 . 1 1 72 72 SER CA C 72 57.319 57.319 57.168 0.151 18715 2184 1 4 . 1 1 72 72 SER CB C 72 64.599 64.599 65.310 -0.711 18715 2185 1 4 . 1 1 72 72 SER H H 72 8.045 8.045 7.898 0.147 18715 2186 1 4 . 1 1 73 73 GLU N N 73 124.228 124.228 120.342 3.886 18715 2187 1 4 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.044 0.043 18715 2188 1 4 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.097 -0.717 18715 2189 1 4 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.458 -0.156 18715 2190 1 4 . 1 1 73 73 GLU H H 73 9.092 9.092 8.974 0.118 18715 2191 1 4 . 1 1 74 74 GLU N N 74 120.165 120.165 119.872 0.293 18715 2192 1 4 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.421 -0.132 18715 2193 1 4 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.316 0.912 18715 2194 1 4 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.725 -0.263 18715 2195 1 4 . 1 1 74 74 GLU H H 74 8.665 8.665 7.830 0.835 18715 2196 1 4 . 1 1 75 75 LEU N N 75 121.415 121.415 120.391 1.024 18715 2197 1 4 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.080 0.081 18715 2198 1 4 . 1 1 75 75 LEU CA C 75 57.953 57.953 57.806 0.147 18715 2199 1 4 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.970 -0.702 18715 2200 1 4 . 1 1 75 75 LEU H H 75 7.765 7.765 7.402 0.363 18715 2201 1 4 . 1 1 76 76 ARG N N 76 119.228 119.228 119.510 -0.282 18715 2202 1 4 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.108 -0.175 18715 2203 1 4 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.138 0.544 18715 2204 1 4 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.298 -1.101 18715 2205 1 4 . 1 1 76 76 ARG H H 76 7.868 7.868 7.956 -0.088 18715 2206 1 4 . 1 1 77 77 SER N N 77 114.228 114.228 116.647 -2.419 18715 2207 1 4 . 1 1 77 77 SER HA H 77 4.263 4.263 4.121 0.142 18715 2208 1 4 . 1 1 77 77 SER CA C 77 62.668 62.668 61.694 0.974 18715 2209 1 4 . 1 1 77 77 SER CB C 77 62.849 62.849 62.759 0.090 18715 2210 1 4 . 1 1 77 77 SER H H 77 8.576 8.576 8.084 0.492 18715 2211 1 4 . 1 1 78 78 LEU N N 78 125.790 125.790 123.486 2.304 18715 2212 1 4 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.315 0.106 18715 2213 1 4 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.910 1.052 18715 2214 1 4 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.145 0.898 18715 2215 1 4 . 1 1 78 78 LEU H H 78 8.458 8.458 8.038 0.420 18715 2216 1 4 . 1 1 79 79 TYR N N 79 119.852 119.852 119.601 0.251 18715 2217 1 4 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.071 -0.410 18715 2218 1 4 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.769 1.034 18715 2219 1 4 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.341 0.853 18715 2220 1 4 . 1 1 79 79 TYR H H 79 8.694 8.694 7.999 0.695 18715 2221 1 4 . 1 1 80 80 ASN N N 80 117.040 117.040 117.672 -0.632 18715 2222 1 4 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.454 -0.170 18715 2223 1 4 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.305 -0.518 18715 2224 1 4 . 1 1 80 80 ASN CB C 80 37.839 37.839 37.951 -0.112 18715 2225 1 4 . 1 1 80 80 ASN H H 80 8.871 8.871 8.058 0.813 18715 2226 1 4 . 1 1 81 81 THR N N 81 115.790 115.790 118.919 -3.129 18715 2227 1 4 . 1 1 81 81 THR HA H 81 3.945 3.945 4.269 -0.324 18715 2228 1 4 . 1 1 81 81 THR CA C 81 67.855 67.855 67.319 0.537 18715 2229 1 4 . 1 1 81 81 THR CB C 81 69.140 69.140 69.285 -0.145 18715 2230 1 4 . 1 1 81 81 THR H H 81 8.119 8.119 8.222 -0.103 18715 2231 1 4 . 1 1 82 82 ILE N N 82 121.102 121.102 121.401 -0.299 18715 2232 1 4 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.775 -0.107 18715 2233 1 4 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.263 -0.743 18715 2234 1 4 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.407 -0.922 18715 2235 1 4 . 1 1 82 82 ILE H H 82 8.090 8.090 8.729 -0.639 18715 2236 1 4 . 1 1 83 83 ALA N N 83 125.165 125.165 123.345 1.820 18715 2237 1 4 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.889 0.002 18715 2238 1 4 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.216 0.639 18715 2239 1 4 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.961 -0.113 18715 2240 1 4 . 1 1 83 83 ALA H H 83 8.782 8.782 7.434 1.348 18715 2241 1 4 . 1 1 84 84 VAL N N 84 117.665 117.665 119.548 -1.883 18715 2242 1 4 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.495 -0.167 18715 2243 1 4 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.521 0.944 18715 2244 1 4 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.334 -0.639 18715 2245 1 4 . 1 1 84 84 VAL H H 84 7.795 7.795 7.574 0.221 18715 2246 1 4 . 1 1 85 85 LEU N N 85 122.040 122.040 119.920 2.120 18715 2247 1 4 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.926 -0.111 18715 2248 1 4 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.053 0.257 18715 2249 1 4 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.530 0.618 18715 2250 1 4 . 1 1 85 85 LEU H H 85 8.163 8.163 8.258 -0.095 18715 2251 1 4 . 1 1 86 86 TYR N N 86 118.915 118.915 120.538 -1.623 18715 2252 1 4 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.066 -0.154 18715 2253 1 4 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.309 1.509 18715 2254 1 4 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.808 0.479 18715 2255 1 4 . 1 1 86 86 TYR H H 86 9.062 9.062 7.920 1.142 18715 2256 1 4 . 1 1 87 87 CYS N N 87 116.102 116.102 116.771 -0.669 18715 2257 1 4 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.574 0.220 18715 2258 1 4 . 1 1 87 87 CYS CA C 87 65.966 65.966 65.049 0.917 18715 2259 1 4 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.109 19.448 18715 2260 1 4 . 1 1 87 87 CYS H H 87 7.515 7.515 8.093 -0.578 18715 2261 1 4 . 1 1 88 88 VAL N N 88 119.978 119.978 118.907 1.071 18715 2262 1 4 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.895 -0.017 18715 2263 1 4 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.517 -0.071 18715 2264 1 4 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.237 0.259 18715 2265 1 4 . 1 1 88 88 VAL H H 88 8.448 8.448 7.569 0.879 18715 2266 1 4 . 1 1 89 89 HIS N N 89 118.915 118.915 115.001 3.914 18715 2267 1 4 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.670 0.205 18715 2268 1 4 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.301 0.819 18715 2269 1 4 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.274 -0.191 18715 2270 1 4 . 1 1 89 89 HIS H H 89 8.797 8.797 7.390 1.407 18715 2271 1 4 . 1 1 90 90 GLN N N 90 116.728 116.728 117.992 -1.264 18715 2272 1 4 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.214 0.171 18715 2273 1 4 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.694 0.595 18715 2274 1 4 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.236 2.716 18715 2275 1 4 . 1 1 90 90 GLN H H 90 7.986 7.986 7.120 0.866 18715 2276 1 4 . 1 1 91 91 ARG N N 91 115.165 115.165 118.168 -3.003 18715 2277 1 4 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.927 0.086 18715 2278 1 4 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.044 0.139 18715 2279 1 4 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.827 -1.778 18715 2280 1 4 . 1 1 91 91 ARG H H 91 7.883 7.883 7.779 0.104 18715 2281 1 4 . 1 1 92 92 ILE N N 92 120.087 120.087 119.799 0.288 18715 2282 1 4 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.270 -0.285 18715 2283 1 4 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.316 0.341 18715 2284 1 4 . 1 1 92 92 ILE CB C 92 38.930 38.930 41.278 -2.348 18715 2285 1 4 . 1 1 92 92 ILE H H 92 8.335 8.335 8.138 0.197 18715 2286 1 4 . 1 1 93 93 ASP N N 93 129.228 129.228 126.103 3.125 18715 2287 1 4 . 1 1 93 93 ASP HA H 93 4.485 4.485 5.025 -0.540 18715 2288 1 4 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.053 1.990 18715 2289 1 4 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.822 -2.426 18715 2290 1 4 . 1 1 93 93 ASP H H 93 8.620 8.620 8.501 0.119 18715 2291 1 4 . 1 1 94 94 VAL N N 94 115.790 115.790 117.066 -1.276 18715 2292 1 4 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.510 0.123 18715 2293 1 4 . 1 1 94 94 VAL CA C 94 59.120 59.120 58.977 0.143 18715 2294 1 4 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.144 1.368 18715 2295 1 4 . 1 1 94 94 VAL H H 94 7.751 7.751 8.230 -0.479 18715 2296 1 4 . 1 1 95 95 LYS N N 95 118.915 118.915 118.306 0.609 18715 2297 1 4 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.401 -0.008 18715 2298 1 4 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.657 0.014 18715 2299 1 4 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.705 0.303 18715 2300 1 4 . 1 1 95 95 LYS H H 95 9.239 9.239 8.824 0.415 18715 2301 1 4 . 1 1 96 96 ASP N N 96 112.040 112.040 114.240 -2.200 18715 2302 1 4 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.304 0.258 18715 2303 1 4 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.870 -0.041 18715 2304 1 4 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.302 1.302 18715 2305 1 4 . 1 1 96 96 ASP H H 96 7.412 7.412 7.662 -0.250 18715 2306 1 4 . 1 1 97 97 THR N N 97 109.540 109.540 114.468 -4.928 18715 2307 1 4 . 1 1 97 97 THR HA H 97 3.661 3.661 4.123 -0.462 18715 2308 1 4 . 1 1 97 97 THR CA C 97 65.947 65.947 66.616 -0.669 18715 2309 1 4 . 1 1 97 97 THR CB C 97 70.285 70.285 69.105 1.180 18715 2310 1 4 . 1 1 97 97 THR H H 97 7.250 7.250 8.362 -1.112 18715 2311 1 4 . 1 1 98 98 LYS N N 98 121.102 121.102 121.592 -0.490 18715 2312 1 4 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.920 0.025 18715 2313 1 4 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.031 -0.403 18715 2314 1 4 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.234 -0.307 18715 2315 1 4 . 1 1 98 98 LYS H H 98 7.868 7.868 8.004 -0.136 18715 2316 1 4 . 1 1 99 99 GLU N N 99 119.228 119.228 118.644 0.584 18715 2317 1 4 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.031 0.046 18715 2318 1 4 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.710 0.085 18715 2319 1 4 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.506 0.740 18715 2320 1 4 . 1 1 99 99 GLU H H 99 8.384 8.384 8.361 0.023 18715 2321 1 4 . 1 1 100 100 ALA N N 100 118.915 118.915 122.304 -3.389 18715 2322 1 4 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.068 0.318 18715 2323 1 4 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.994 0.402 18715 2324 1 4 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.502 1.257 18715 2325 1 4 . 1 1 100 100 ALA H H 100 7.382 7.382 7.350 0.032 18715 2326 1 4 . 1 1 101 101 LEU N N 101 117.978 117.978 118.317 -0.339 18715 2327 1 4 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.853 0.167 18715 2328 1 4 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.237 -0.263 18715 2329 1 4 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.471 0.022 18715 2330 1 4 . 1 1 101 101 LEU H H 101 8.119 8.119 8.081 0.038 18715 2331 1 4 . 1 1 102 102 ASP N N 102 120.478 120.478 118.073 2.405 18715 2332 1 4 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.445 -0.078 18715 2333 1 4 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.168 0.184 18715 2334 1 4 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.514 -0.792 18715 2335 1 4 . 1 1 102 102 ASP H H 102 8.679 8.679 8.072 0.607 18715 2336 1 4 . 1 1 103 103 LYS N N 103 120.165 120.165 119.914 0.251 18715 2337 1 4 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.128 0.036 18715 2338 1 4 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.788 -0.424 18715 2339 1 4 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.373 -0.841 18715 2340 1 4 . 1 1 103 103 LYS H H 103 8.207 8.207 7.512 0.695 18715 2341 1 4 . 1 1 104 104 ILE N N 104 119.852 119.852 120.547 -0.695 18715 2342 1 4 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.740 0.070 18715 2343 1 4 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.879 -1.271 18715 2344 1 4 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.077 -0.643 18715 2345 1 4 . 1 1 104 104 ILE H H 104 8.163 8.163 8.162 0.001 18715 2346 1 4 . 1 1 105 105 GLU N N 105 121.415 121.415 120.330 1.085 18715 2347 1 4 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.831 0.204 18715 2348 1 4 . 1 1 105 105 GLU CA C 105 59.634 59.634 60.006 -0.372 18715 2349 1 4 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.478 3.278 18715 2350 1 4 . 1 1 105 105 GLU H H 105 8.001 8.001 8.179 -0.178 18715 2351 1 4 . 1 1 106 106 GLU N N 106 119.228 119.228 118.664 0.564 18715 2352 1 4 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.016 0.074 18715 2353 1 4 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.288 -0.021 18715 2354 1 4 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.276 0.322 18715 2355 1 4 . 1 1 106 106 GLU H H 106 8.031 8.031 7.728 0.303 18715 2356 1 4 . 1 1 107 107 GLU N N 107 118.915 118.915 119.181 -0.266 18715 2357 1 4 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.062 0.011 18715 2358 1 4 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.410 -0.069 18715 2359 1 4 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.545 0.325 18715 2360 1 4 . 1 1 107 107 GLU H H 107 8.016 8.016 7.628 0.388 18715 2361 1 4 . 1 1 108 108 GLN N N 108 118.290 118.290 118.630 -0.340 18715 2362 1 4 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.128 0.019 18715 2363 1 4 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.468 -0.061 18715 2364 1 4 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.829 0.016 18715 2365 1 4 . 1 1 108 108 GLN H H 108 8.252 8.252 7.627 0.625 18715 2366 1 4 . 1 1 109 109 ASN N N 109 118.290 118.290 119.202 -0.912 18715 2367 1 4 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.409 0.208 18715 2368 1 4 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.585 -1.703 18715 2369 1 4 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.545 -0.020 18715 2370 1 4 . 1 1 109 109 ASN H H 109 8.252 8.252 8.393 -0.141 18715 2371 1 4 . 1 1 110 110 LYS N N 110 120.478 120.478 119.589 0.889 18715 2372 1 4 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.060 0.170 18715 2373 1 4 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.787 -1.476 18715 2374 1 4 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.432 0.259 18715 2375 1 4 . 1 1 110 110 LYS H H 110 8.031 8.031 7.875 0.156 18715 2376 1 4 . 1 1 111 111 SER N N 111 114.540 114.540 115.359 -0.819 18715 2377 1 4 . 1 1 111 111 SER HA H 111 4.368 4.368 4.220 0.148 18715 2378 1 4 . 1 1 111 111 SER CA C 111 59.764 59.764 61.882 -2.118 18715 2379 1 4 . 1 1 111 111 SER CB C 111 63.442 63.442 63.106 0.336 18715 2380 1 4 . 1 1 111 111 SER H H 111 8.031 8.031 7.693 0.338 18715 2381 1 4 . 1 1 112 112 LYS N N 112 122.040 122.040 121.494 0.546 18715 2382 1 4 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.129 0.116 18715 2383 1 4 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.070 -1.741 18715 2384 1 4 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.638 0.137 18715 2385 1 4 . 1 1 112 112 LYS H H 112 7.957 7.957 7.740 0.217 18715 2386 1 4 . 1 1 113 113 LYS N N 113 120.790 120.790 120.088 0.702 18715 2387 1 4 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.086 0.064 18715 2388 1 4 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.879 0.255 18715 2389 1 4 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.410 0.356 18715 2390 1 4 . 1 1 113 113 LYS H H 113 8.016 8.016 7.843 0.173 18715 2391 1 4 . 1 1 114 114 LYS N N 114 121.728 121.728 117.411 4.317 18715 2392 1 4 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.120 0.143 18715 2393 1 4 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.889 -1.704 18715 2394 1 4 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.602 0.254 18715 2395 1 4 . 1 1 114 114 LYS H H 114 8.119 8.119 7.954 0.165 18715 2396 1 4 . 1 1 115 115 ALA N N 115 124.228 124.228 120.831 3.397 18715 2397 1 4 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.360 -0.092 18715 2398 1 4 . 1 1 115 115 ALA CA C 115 53.035 53.035 53.903 -0.868 18715 2399 1 4 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.121 -0.083 18715 2400 1 4 . 1 1 115 115 ALA H H 115 8.178 8.178 7.491 0.687 18715 2401 1 4 . 1 1 116 116 GLN N N 116 119.228 119.228 117.106 2.122 18715 2402 1 4 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.454 -0.206 18715 2403 1 4 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.291 1.258 18715 2404 1 4 . 1 1 116 116 GLN H H 116 8.237 8.237 7.645 0.592 18715 2405 1 4 . 1 1 117 117 GLN N N 117 120.478 120.478 118.940 1.538 18715 2406 1 4 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.086 0.183 18715 2407 1 4 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.761 -2.437 18715 2408 1 4 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.805 0.801 18715 2409 1 4 . 1 1 117 117 GLN H H 117 8.266 8.266 8.186 0.080 18715 2410 1 4 . 1 1 118 118 ALA N N 118 124.852 124.852 121.250 3.602 18715 2411 1 4 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.306 -0.030 18715 2412 1 4 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.772 -0.935 18715 2413 1 4 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.696 0.366 18715 2414 1 4 . 1 1 118 118 ALA H H 118 8.266 8.266 8.137 0.129 18715 2415 1 4 . 1 1 119 119 ALA N N 119 122.978 122.978 120.319 2.659 18715 2416 1 4 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.477 -0.183 18715 2417 1 4 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.685 0.952 18715 2418 1 4 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.430 1.771 18715 2419 1 4 . 1 1 119 119 ALA H H 119 8.163 8.163 7.837 0.326 18715 2420 1 4 . 1 1 120 120 ALA N N 120 122.665 122.665 122.262 0.403 18715 2421 1 4 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.387 -0.110 18715 2422 1 4 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.856 -0.120 18715 2423 1 4 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.397 -0.230 18715 2424 1 4 . 1 1 120 120 ALA H H 120 8.163 8.163 7.517 0.646 18715 2425 1 4 . 1 1 121 121 ASP N N 121 119.228 119.228 119.146 0.082 18715 2426 1 4 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.696 -0.014 18715 2427 1 4 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.709 -0.445 18715 2428 1 4 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.390 -0.262 18715 2429 1 4 . 1 1 121 121 ASP H H 121 8.252 8.252 8.316 -0.064 18715 2430 1 4 . 1 1 122 122 THR N N 122 113.602 113.602 112.001 1.601 18715 2431 1 4 . 1 1 122 122 THR HA H 122 4.358 4.358 4.595 -0.237 18715 2432 1 4 . 1 1 122 122 THR CA C 122 61.971 61.971 61.055 0.916 18715 2433 1 4 . 1 1 122 122 THR CB C 122 69.586 69.586 70.033 -0.447 18715 2434 1 4 . 1 1 122 122 THR H H 122 8.075 8.075 7.503 0.572 18715 2435 1 4 . 1 1 123 123 GLY N N 123 110.478 110.478 108.706 1.772 18715 2436 1 4 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.782 0.821 18715 2437 1 4 . 1 1 123 123 GLY H H 123 8.414 8.414 9.064 -0.650 18715 2438 1 4 . 1 1 124 124 ASN N N 124 118.602 118.602 119.159 -0.557 18715 2439 1 4 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.807 -0.199 18715 2440 1 4 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.965 2.768 18715 2441 1 4 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.087 -1.549 18715 2442 1 4 . 1 1 124 124 ASN H H 124 8.266 8.266 8.519 -0.253 18715 2443 1 4 . 1 1 125 125 ASN N N 125 119.228 119.228 117.147 2.081 18715 2444 1 4 . 1 1 125 125 ASN HA H 125 4.724 4.724 5.050 -0.326 18715 2445 1 4 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.986 0.467 18715 2446 1 4 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.895 -0.082 18715 2447 1 4 . 1 1 125 125 ASN H H 125 8.443 8.443 8.608 -0.165 18715 2448 1 4 . 1 1 126 126 SER N N 126 115.790 115.790 117.552 -1.762 18715 2449 1 4 . 1 1 126 126 SER HA H 126 4.388 4.388 4.517 -0.129 18715 2450 1 4 . 1 1 126 126 SER CA C 126 58.851 58.851 57.923 0.928 18715 2451 1 4 . 1 1 126 126 SER CB C 126 63.926 63.926 64.717 -0.791 18715 2452 1 4 . 1 1 126 126 SER H H 126 8.266 8.266 8.414 -0.148 18715 2453 1 4 . 1 1 127 127 GLN N N 127 121.728 121.728 121.148 0.580 18715 2454 1 4 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.596 -0.273 18715 2455 1 4 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.818 0.405 18715 2456 1 4 . 1 1 127 127 GLN CB C 127 29.168 29.168 31.079 -1.911 18715 2457 1 4 . 1 1 127 127 GLN H H 127 8.355 8.355 8.470 -0.115 18715 2458 1 4 . 1 1 128 128 VAL N N 128 119.852 119.852 123.664 -3.812 18715 2459 1 4 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.224 -0.115 18715 2460 1 4 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.811 -0.146 18715 2461 1 4 . 1 1 128 128 VAL CB C 128 32.769 32.769 31.786 0.983 18715 2462 1 4 . 1 1 128 128 VAL H H 128 7.986 7.986 8.457 -0.471 18715 2463 1 4 . 1 1 129 129 SER N N 129 117.978 117.978 122.879 -4.901 18715 2464 1 4 . 1 1 129 129 SER HA H 129 4.136 4.136 4.800 -0.664 18715 2465 1 4 . 1 1 129 129 SER CA C 129 58.404 58.404 57.459 0.945 18715 2466 1 4 . 1 1 129 129 SER CB C 129 63.755 63.755 65.083 -1.328 18715 2467 1 4 . 1 1 129 129 SER H H 129 8.252 8.252 8.732 -0.480 18715 2468 1 4 . 1 1 130 130 GLN N N 130 121.728 121.728 121.007 0.721 18715 2469 1 4 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.572 -0.217 18715 2470 1 4 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.715 0.435 18715 2471 1 4 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.981 -0.608 18715 2472 1 4 . 1 1 130 130 GLN H H 130 8.355 8.355 8.674 -0.319 18715 2473 1 4 . 1 1 131 131 ASN N N 131 118.290 118.290 118.029 0.261 18715 2474 1 4 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.932 -0.300 18715 2475 1 4 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.892 0.675 18715 2476 1 4 . 1 1 131 131 ASN H H 131 8.252 8.252 8.827 -0.575 18715 2477 1 5 . 1 1 3 3 ALA N N 3 123.842 123.842 123.342 0.500 18715 2478 1 5 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.655 -0.327 18715 2479 1 5 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.323 0.214 18715 2480 1 5 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.529 -2.278 18715 2481 1 5 . 1 1 3 3 ALA H H 3 8.183 8.183 8.033 0.150 18715 2482 1 5 . 1 1 4 4 ARG N N 4 120.165 120.165 119.815 0.350 18715 2483 1 5 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.716 -0.460 18715 2484 1 5 . 1 1 4 4 ARG CA C 4 55.965 55.965 57.133 -1.167 18715 2485 1 5 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.605 -0.644 18715 2486 1 5 . 1 1 4 4 ARG H H 4 8.429 8.429 8.364 0.065 18715 2487 1 5 . 1 1 5 5 ALA N N 5 125.165 125.165 124.092 1.073 18715 2488 1 5 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.504 -0.222 18715 2489 1 5 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.314 0.057 18715 2490 1 5 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.630 -0.958 18715 2491 1 5 . 1 1 5 5 ALA H H 5 8.370 8.370 7.950 0.420 18715 2492 1 5 . 1 1 6 6 SER N N 6 114.540 114.540 119.070 -4.530 18715 2493 1 5 . 1 1 6 6 SER HA H 6 4.479 4.479 4.711 -0.232 18715 2494 1 5 . 1 1 6 6 SER CA C 6 57.804 57.804 58.469 -0.665 18715 2495 1 5 . 1 1 6 6 SER CB C 6 64.034 64.034 63.723 0.311 18715 2496 1 5 . 1 1 6 6 SER H H 6 8.134 8.134 8.855 -0.721 18715 2497 1 5 . 1 1 7 7 VAL N N 7 121.415 121.415 125.323 -3.908 18715 2498 1 5 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.964 -0.347 18715 2499 1 5 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.931 1.780 18715 2500 1 5 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.977 -0.041 18715 2501 1 5 . 1 1 7 7 VAL H H 7 8.119 8.119 8.294 -0.175 18715 2502 1 5 . 1 1 8 8 LEU N N 8 115.478 115.478 118.692 -3.214 18715 2503 1 5 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.824 0.108 18715 2504 1 5 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.060 -0.554 18715 2505 1 5 . 1 1 8 8 LEU CB C 8 44.303 44.303 42.661 1.642 18715 2506 1 5 . 1 1 8 8 LEU H H 8 7.382 7.382 7.562 -0.180 18715 2507 1 5 . 1 1 9 9 SER N N 9 118.290 118.290 119.221 -0.931 18715 2508 1 5 . 1 1 9 9 SER HA H 9 4.606 4.606 4.407 0.199 18715 2509 1 5 . 1 1 9 9 SER CA C 9 57.197 57.197 57.903 -0.706 18715 2510 1 5 . 1 1 9 9 SER CB C 9 65.426 65.426 64.735 0.691 18715 2511 1 5 . 1 1 9 9 SER H H 9 9.166 9.166 8.853 0.313 18715 2512 1 5 . 1 1 10 10 GLY N N 10 109.228 109.228 108.580 0.648 18715 2513 1 5 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.070 0.604 18715 2514 1 5 . 1 1 10 10 GLY H H 10 8.959 8.959 8.642 0.317 18715 2515 1 5 . 1 1 11 11 GLY N N 11 111.102 111.102 109.770 1.332 18715 2516 1 5 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.443 0.218 18715 2517 1 5 . 1 1 11 11 GLY H H 11 8.782 8.782 7.798 0.984 18715 2518 1 5 . 1 1 12 12 GLU N N 12 120.165 120.165 122.086 -1.921 18715 2519 1 5 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.994 -0.044 18715 2520 1 5 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.730 0.366 18715 2521 1 5 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.443 1.847 18715 2522 1 5 . 1 1 12 12 GLU H H 12 7.751 7.751 7.599 0.152 18715 2523 1 5 . 1 1 13 13 LEU N N 13 121.415 121.415 121.634 -0.219 18715 2524 1 5 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.073 0.035 18715 2525 1 5 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.245 -0.183 18715 2526 1 5 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.865 -0.929 18715 2527 1 5 . 1 1 13 13 LEU H H 13 8.340 8.340 8.316 0.024 18715 2528 1 5 . 1 1 14 14 ASP N N 14 116.415 116.415 119.161 -2.746 18715 2529 1 5 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.340 0.053 18715 2530 1 5 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.430 -0.294 18715 2531 1 5 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.827 0.259 18715 2532 1 5 . 1 1 14 14 ASP H H 14 7.574 7.574 7.835 -0.261 18715 2533 1 5 . 1 1 15 15 LYS N N 15 115.478 115.478 119.190 -3.712 18715 2534 1 5 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.098 -0.052 18715 2535 1 5 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.739 -0.337 18715 2536 1 5 . 1 1 15 15 LYS CB C 15 32.359 32.359 31.967 0.392 18715 2537 1 5 . 1 1 15 15 LYS H H 15 7.117 7.117 7.664 -0.547 18715 2538 1 5 . 1 1 16 16 TRP N N 16 121.693 121.693 121.771 -0.078 18715 2539 1 5 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.160 -0.135 18715 2540 1 5 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.566 -0.280 18715 2541 1 5 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.429 1.684 18715 2542 1 5 . 1 1 16 16 TRP H H 16 8.646 8.646 8.231 0.415 18715 2543 1 5 . 1 1 17 17 GLU N N 17 127.710 127.710 116.891 10.819 18715 2544 1 5 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.324 0.367 18715 2545 1 5 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.939 -2.170 18715 2546 1 5 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.365 0.380 18715 2547 1 5 . 1 1 17 17 GLU H H 17 7.571 7.571 8.146 -0.575 18715 2548 1 5 . 1 1 18 18 LYS N N 18 115.790 115.790 118.745 -2.955 18715 2549 1 5 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.165 0.332 18715 2550 1 5 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.056 -1.487 18715 2551 1 5 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.841 1.098 18715 2552 1 5 . 1 1 18 18 LYS H H 18 7.456 7.456 7.259 0.197 18715 2553 1 5 . 1 1 19 19 ILE N N 19 124.228 124.228 120.419 3.809 18715 2554 1 5 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.004 -0.447 18715 2555 1 5 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.547 -0.427 18715 2556 1 5 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.773 0.409 18715 2557 1 5 . 1 1 19 19 ILE H H 19 7.633 7.633 8.141 -0.508 18715 2558 1 5 . 1 1 20 20 ARG N N 20 125.790 125.790 124.676 1.114 18715 2559 1 5 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.553 -0.125 18715 2560 1 5 . 1 1 20 20 ARG CA C 20 56.495 56.495 53.930 2.565 18715 2561 1 5 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.920 -0.383 18715 2562 1 5 . 1 1 20 20 ARG H H 20 8.031 8.031 8.109 -0.078 18715 2563 1 5 . 1 1 21 21 LEU N N 21 120.165 120.165 119.405 0.760 18715 2564 1 5 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.993 -0.547 18715 2565 1 5 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.194 1.041 18715 2566 1 5 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.121 -0.586 18715 2567 1 5 . 1 1 21 21 LEU H H 21 7.810 7.810 7.703 0.107 18715 2568 1 5 . 1 1 22 22 ARG N N 22 119.540 119.540 115.384 4.156 18715 2569 1 5 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.657 0.188 18715 2570 1 5 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.127 -0.283 18715 2571 1 5 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.241 -0.624 18715 2572 1 5 . 1 1 22 22 ARG H H 22 8.974 8.974 7.668 1.306 18715 2573 1 5 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.548 -0.188 18715 2574 1 5 . 1 1 23 23 PRO CA C 23 63.436 63.436 63.943 -0.507 18715 2575 1 5 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.271 -0.706 18715 2576 1 5 . 1 1 24 24 GLY N N 24 112.665 112.665 106.975 5.690 18715 2577 1 5 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.595 1.210 18715 2578 1 5 . 1 1 24 24 GLY H H 24 9.138 9.138 7.771 1.367 18715 2579 1 5 . 1 1 25 25 GLY N N 25 107.978 107.978 107.867 0.111 18715 2580 1 5 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.592 -0.020 18715 2581 1 5 . 1 1 25 25 GLY H H 25 8.134 8.134 7.655 0.479 18715 2582 1 5 . 1 1 26 26 LYS N N 26 117.665 117.665 119.975 -2.310 18715 2583 1 5 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.530 -0.266 18715 2584 1 5 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.958 0.895 18715 2585 1 5 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.864 1.192 18715 2586 1 5 . 1 1 26 26 LYS H H 26 8.665 8.665 8.266 0.399 18715 2587 1 5 . 1 1 27 27 LYS N N 27 117.925 117.925 119.721 -1.796 18715 2588 1 5 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.557 -0.246 18715 2589 1 5 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.781 1.431 18715 2590 1 5 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.314 -0.436 18715 2591 1 5 . 1 1 27 27 LYS H H 27 7.817 7.817 7.883 -0.066 18715 2592 1 5 . 1 1 28 28 GLN N N 28 122.978 122.978 121.543 1.435 18715 2593 1 5 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.306 0.510 18715 2594 1 5 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.371 -0.898 18715 2595 1 5 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.042 4.012 18715 2596 1 5 . 1 1 28 28 GLN H H 28 8.458 8.458 8.406 0.052 18715 2597 1 5 . 1 1 29 29 TYR N N 29 119.540 119.540 119.254 0.286 18715 2598 1 5 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.529 -0.797 18715 2599 1 5 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.821 2.189 18715 2600 1 5 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.474 -2.258 18715 2601 1 5 . 1 1 29 29 TYR H H 29 7.824 7.824 8.435 -0.611 18715 2602 1 5 . 1 1 30 30 LYS N N 30 117.978 117.978 120.627 -2.649 18715 2603 1 5 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.867 0.349 18715 2604 1 5 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.397 -0.332 18715 2605 1 5 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.976 2.612 18715 2606 1 5 . 1 1 30 30 LYS H H 30 10.610 10.610 9.178 1.432 18715 2607 1 5 . 1 1 31 31 LEU N N 31 128.602 128.602 123.980 4.622 18715 2608 1 5 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.129 0.052 18715 2609 1 5 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.397 0.837 18715 2610 1 5 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.135 -0.133 18715 2611 1 5 . 1 1 31 31 LEU H H 31 9.991 9.991 9.133 0.858 18715 2612 1 5 . 1 1 32 32 LYS N N 32 115.165 115.165 118.037 -2.872 18715 2613 1 5 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.970 0.175 18715 2614 1 5 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.483 -0.387 18715 2615 1 5 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.840 -0.281 18715 2616 1 5 . 1 1 32 32 LYS H H 32 8.399 8.399 8.655 -0.256 18715 2617 1 5 . 1 1 33 33 HIS N N 33 119.540 119.540 117.077 2.463 18715 2618 1 5 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.699 -0.095 18715 2619 1 5 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.521 3.370 18715 2620 1 5 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.494 2.290 18715 2621 1 5 . 1 1 33 33 HIS H H 33 8.193 8.193 8.072 0.121 18715 2622 1 5 . 1 1 34 34 ILE N N 34 119.540 119.540 120.638 -1.098 18715 2623 1 5 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.889 -0.095 18715 2624 1 5 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.685 -0.837 18715 2625 1 5 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.657 -0.678 18715 2626 1 5 . 1 1 34 34 ILE H H 34 7.898 7.898 7.544 0.354 18715 2627 1 5 . 1 1 35 35 VAL N N 35 122.040 122.040 119.206 2.834 18715 2628 1 5 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.849 -0.237 18715 2629 1 5 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.973 0.773 18715 2630 1 5 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.262 0.880 18715 2631 1 5 . 1 1 35 35 VAL H H 35 7.706 7.706 8.494 -0.788 18715 2632 1 5 . 1 1 36 36 TRP N N 36 119.986 119.986 122.259 -2.273 18715 2633 1 5 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.216 0.017 18715 2634 1 5 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.041 0.069 18715 2635 1 5 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.350 -0.938 18715 2636 1 5 . 1 1 36 36 TRP H H 36 8.452 8.452 7.879 0.573 18715 2637 1 5 . 1 1 37 37 ALA N N 37 120.478 120.478 119.338 1.140 18715 2638 1 5 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.683 -0.293 18715 2639 1 5 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.794 0.319 18715 2640 1 5 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.306 -0.876 18715 2641 1 5 . 1 1 37 37 ALA H H 37 8.311 8.311 8.272 0.039 18715 2642 1 5 . 1 1 38 38 SER N N 38 111.415 111.415 114.713 -3.298 18715 2643 1 5 . 1 1 38 38 SER HA H 38 3.906 3.906 4.046 -0.140 18715 2644 1 5 . 1 1 38 38 SER CA C 38 62.801 62.801 62.105 0.696 18715 2645 1 5 . 1 1 38 38 SER CB C 38 62.829 62.829 63.087 -0.258 18715 2646 1 5 . 1 1 38 38 SER H H 38 8.259 8.259 7.570 0.689 18715 2647 1 5 . 1 1 39 39 ARG N N 39 119.852 119.852 120.403 -0.551 18715 2648 1 5 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.048 0.098 18715 2649 1 5 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.411 -0.001 18715 2650 1 5 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.954 0.054 18715 2651 1 5 . 1 1 39 39 ARG H H 39 7.559 7.559 7.634 -0.075 18715 2652 1 5 . 1 1 40 40 GLU N N 40 121.102 121.102 119.208 1.894 18715 2653 1 5 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.879 -0.092 18715 2654 1 5 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.489 -0.208 18715 2655 1 5 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.801 0.873 18715 2656 1 5 . 1 1 40 40 GLU H H 40 8.222 8.222 7.457 0.765 18715 2657 1 5 . 1 1 41 41 LEU N N 41 117.040 117.040 120.536 -3.496 18715 2658 1 5 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.093 -0.140 18715 2659 1 5 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.044 0.280 18715 2660 1 5 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.029 -1.849 18715 2661 1 5 . 1 1 41 41 LEU H H 41 8.016 8.016 7.897 0.119 18715 2662 1 5 . 1 1 42 42 GLU N N 42 117.352 117.352 118.441 -1.089 18715 2663 1 5 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.010 0.117 18715 2664 1 5 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.110 0.461 18715 2665 1 5 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.284 0.381 18715 2666 1 5 . 1 1 42 42 GLU H H 42 7.559 7.559 7.735 -0.176 18715 2667 1 5 . 1 1 43 43 ARG N N 43 119.540 119.540 118.872 0.668 18715 2668 1 5 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.003 0.039 18715 2669 1 5 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.335 0.155 18715 2670 1 5 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.167 -0.502 18715 2671 1 5 . 1 1 43 43 ARG H H 43 7.647 7.647 7.241 0.406 18715 2672 1 5 . 1 1 44 44 PHE N N 44 117.665 117.665 118.317 -0.652 18715 2673 1 5 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.623 -0.009 18715 2674 1 5 . 1 1 44 44 PHE CA C 44 57.358 57.358 57.078 0.280 18715 2675 1 5 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.256 0.910 18715 2676 1 5 . 1 1 44 44 PHE H H 44 7.529 7.529 7.687 -0.158 18715 2677 1 5 . 1 1 45 45 ALA N N 45 118.915 118.915 119.661 -0.746 18715 2678 1 5 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.963 0.052 18715 2679 1 5 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.225 0.189 18715 2680 1 5 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.117 -0.838 18715 2681 1 5 . 1 1 45 45 ALA H H 45 7.928 7.928 7.714 0.214 18715 2682 1 5 . 1 1 46 46 VAL N N 46 119.540 119.540 119.105 0.435 18715 2683 1 5 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.189 -0.094 18715 2684 1 5 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.253 0.568 18715 2685 1 5 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.437 0.929 18715 2686 1 5 . 1 1 46 46 VAL H H 46 7.765 7.765 7.652 0.113 18715 2687 1 5 . 1 1 47 47 ASN N N 47 125.790 125.790 126.899 -1.109 18715 2688 1 5 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.745 -0.099 18715 2689 1 5 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.745 -1.748 18715 2690 1 5 . 1 1 47 47 ASN CB C 47 39.086 39.086 39.514 -0.428 18715 2691 1 5 . 1 1 47 47 ASN H H 47 8.399 8.399 8.810 -0.411 18715 2692 1 5 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.462 -0.240 18715 2693 1 5 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.303 0.011 18715 2694 1 5 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.722 0.018 18715 2695 1 5 . 1 1 49 49 GLY N N 49 108.290 108.290 107.478 0.812 18715 2696 1 5 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.271 0.259 18715 2697 1 5 . 1 1 49 49 GLY H H 49 8.620 8.620 8.392 0.228 18715 2698 1 5 . 1 1 50 50 LEU N N 50 121.728 121.728 121.617 0.111 18715 2699 1 5 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.159 -0.013 18715 2700 1 5 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.104 1.137 18715 2701 1 5 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.766 -0.203 18715 2702 1 5 . 1 1 50 50 LEU H H 50 7.765 7.765 7.528 0.237 18715 2703 1 5 . 1 1 51 51 LEU N N 51 112.040 112.040 118.542 -6.502 18715 2704 1 5 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.169 0.069 18715 2705 1 5 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.263 -0.756 18715 2706 1 5 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.148 0.342 18715 2707 1 5 . 1 1 51 51 LEU H H 51 7.412 7.412 7.781 -0.369 18715 2708 1 5 . 1 1 52 52 GLU N N 52 114.540 114.540 113.919 0.621 18715 2709 1 5 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.343 -0.288 18715 2710 1 5 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.209 3.175 18715 2711 1 5 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.129 1.929 18715 2712 1 5 . 1 1 52 52 GLU H H 52 7.500 7.500 7.495 0.005 18715 2713 1 5 . 1 1 53 53 THR N N 53 122.978 122.978 110.593 12.385 18715 2714 1 5 . 1 1 53 53 THR HA H 53 4.402 4.402 4.600 -0.198 18715 2715 1 5 . 1 1 53 53 THR CA C 53 58.306 58.306 59.513 -1.207 18715 2716 1 5 . 1 1 53 53 THR CB C 53 73.222 73.222 71.502 1.720 18715 2717 1 5 . 1 1 53 53 THR H H 53 7.235 7.235 7.495 -0.260 18715 2718 1 5 . 1 1 54 54 SER N N 54 119.228 119.228 121.397 -2.169 18715 2719 1 5 . 1 1 54 54 SER HA H 54 4.043 4.043 4.246 -0.203 18715 2720 1 5 . 1 1 54 54 SER CA C 54 62.657 62.657 61.190 1.468 18715 2721 1 5 . 1 1 54 54 SER CB C 54 62.562 62.562 62.896 -0.334 18715 2722 1 5 . 1 1 54 54 SER H H 54 9.313 9.313 8.995 0.318 18715 2723 1 5 . 1 1 55 55 GLU N N 55 121.233 121.233 120.480 0.753 18715 2724 1 5 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.342 -0.273 18715 2725 1 5 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.675 1.000 18715 2726 1 5 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.617 -0.618 18715 2727 1 5 . 1 1 55 55 GLU H H 55 8.975 8.975 8.653 0.322 18715 2728 1 5 . 1 1 56 56 GLY N N 56 110.790 110.790 108.686 2.104 18715 2729 1 5 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.384 0.482 18715 2730 1 5 . 1 1 56 56 GLY H H 56 8.517 8.517 8.258 0.259 18715 2731 1 5 . 1 1 57 57 CYS N N 57 118.602 118.602 120.277 -1.675 18715 2732 1 5 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.065 -0.045 18715 2733 1 5 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.700 -0.098 18715 2734 1 5 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.753 20.042 18715 2735 1 5 . 1 1 57 57 CYS H H 57 8.122 8.122 8.144 -0.022 18715 2736 1 5 . 1 1 58 58 ARG N N 58 119.540 119.540 118.549 0.991 18715 2737 1 5 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.558 -0.008 18715 2738 1 5 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.378 0.329 18715 2739 1 5 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.969 -0.520 18715 2740 1 5 . 1 1 58 58 ARG H H 58 8.488 8.488 7.953 0.535 18715 2741 1 5 . 1 1 59 59 GLN N N 59 119.852 119.852 119.082 0.770 18715 2742 1 5 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.087 -0.035 18715 2743 1 5 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.839 0.561 18715 2744 1 5 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.701 -0.467 18715 2745 1 5 . 1 1 59 59 GLN H H 59 8.016 8.016 7.469 0.547 18715 2746 1 5 . 1 1 60 60 ILE N N 60 120.790 120.790 120.632 0.158 18715 2747 1 5 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.652 -0.041 18715 2748 1 5 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.323 0.267 18715 2749 1 5 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.955 -0.105 18715 2750 1 5 . 1 1 60 60 ILE H H 60 8.163 8.163 8.500 -0.337 18715 2751 1 5 . 1 1 61 61 LEU N N 61 118.915 118.915 117.802 1.113 18715 2752 1 5 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.303 -0.408 18715 2753 1 5 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.211 1.443 18715 2754 1 5 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.214 -0.438 18715 2755 1 5 . 1 1 61 61 LEU H H 61 8.370 8.370 8.203 0.167 18715 2756 1 5 . 1 1 62 62 GLY N N 62 104.332 104.332 106.481 -2.149 18715 2757 1 5 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.688 0.496 18715 2758 1 5 . 1 1 62 62 GLY H H 62 7.883 7.883 7.922 -0.039 18715 2759 1 5 . 1 1 63 63 GLN N N 63 119.852 119.852 118.373 1.479 18715 2760 1 5 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.261 -0.109 18715 2761 1 5 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.530 0.464 18715 2762 1 5 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.611 -0.412 18715 2763 1 5 . 1 1 63 63 GLN H H 63 7.795 7.795 7.472 0.323 18715 2764 1 5 . 1 1 64 64 LEU N N 64 117.040 117.040 118.537 -1.497 18715 2765 1 5 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.178 0.103 18715 2766 1 5 . 1 1 64 64 LEU CA C 64 56.101 56.101 55.963 0.138 18715 2767 1 5 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.133 2.110 18715 2768 1 5 . 1 1 64 64 LEU H H 64 8.252 8.252 7.332 0.920 18715 2769 1 5 . 1 1 65 65 GLN N N 65 118.915 118.915 118.245 0.670 18715 2770 1 5 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.756 0.023 18715 2771 1 5 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.494 2.053 18715 2772 1 5 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.801 -1.937 18715 2773 1 5 . 1 1 65 65 GLN H H 65 8.104 8.104 8.016 0.088 18715 2774 1 5 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.308 0.075 18715 2775 1 5 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.670 1.247 18715 2776 1 5 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.290 -0.191 18715 2777 1 5 . 1 1 67 67 SER N N 67 111.415 111.415 113.250 -1.835 18715 2778 1 5 . 1 1 67 67 SER HA H 67 4.493 4.493 4.572 -0.079 18715 2779 1 5 . 1 1 67 67 SER CA C 67 59.696 59.696 58.215 1.481 18715 2780 1 5 . 1 1 67 67 SER CB C 67 64.031 64.031 62.538 1.493 18715 2781 1 5 . 1 1 67 67 SER H H 67 7.824 7.824 7.741 0.083 18715 2782 1 5 . 1 1 68 68 LEU N N 68 121.102 121.102 122.107 -1.005 18715 2783 1 5 . 1 1 68 68 LEU HA H 68 3.816 3.816 4.003 -0.187 18715 2784 1 5 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.264 0.684 18715 2785 1 5 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.811 -0.042 18715 2786 1 5 . 1 1 68 68 LEU H H 68 7.647 7.647 7.231 0.416 18715 2787 1 5 . 1 1 69 69 GLN N N 69 116.415 116.415 118.268 -1.853 18715 2788 1 5 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.167 -0.098 18715 2789 1 5 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.783 0.687 18715 2790 1 5 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.904 -0.476 18715 2791 1 5 . 1 1 69 69 GLN H H 69 8.060 8.060 8.424 -0.364 18715 2792 1 5 . 1 1 70 70 THR N N 70 106.728 106.728 109.690 -2.962 18715 2793 1 5 . 1 1 70 70 THR HA H 70 4.481 4.481 4.431 0.050 18715 2794 1 5 . 1 1 70 70 THR CA C 70 61.291 61.291 61.231 0.060 18715 2795 1 5 . 1 1 70 70 THR CB C 70 69.415 69.415 67.946 1.469 18715 2796 1 5 . 1 1 70 70 THR H H 70 7.515 7.515 7.986 -0.471 18715 2797 1 5 . 1 1 71 71 GLY N N 71 109.540 109.540 109.755 -0.215 18715 2798 1 5 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.833 1.720 18715 2799 1 5 . 1 1 71 71 GLY H H 71 7.692 7.692 7.336 0.356 18715 2800 1 5 . 1 1 72 72 SER N N 72 114.540 114.540 115.354 -0.814 18715 2801 1 5 . 1 1 72 72 SER HA H 72 4.625 4.625 4.666 -0.041 18715 2802 1 5 . 1 1 72 72 SER CA C 72 57.319 57.319 57.150 0.169 18715 2803 1 5 . 1 1 72 72 SER CB C 72 64.599 64.599 65.426 -0.827 18715 2804 1 5 . 1 1 72 72 SER H H 72 8.045 8.045 7.968 0.077 18715 2805 1 5 . 1 1 73 73 GLU N N 73 124.228 124.228 121.049 3.179 18715 2806 1 5 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.094 -0.007 18715 2807 1 5 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.783 -0.403 18715 2808 1 5 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.380 -0.078 18715 2809 1 5 . 1 1 73 73 GLU H H 73 9.092 9.092 9.014 0.078 18715 2810 1 5 . 1 1 74 74 GLU N N 74 120.165 120.165 119.757 0.408 18715 2811 1 5 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.437 -0.148 18715 2812 1 5 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.758 0.470 18715 2813 1 5 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.777 -0.315 18715 2814 1 5 . 1 1 74 74 GLU H H 74 8.665 8.665 7.799 0.866 18715 2815 1 5 . 1 1 75 75 LEU N N 75 121.415 121.415 120.942 0.473 18715 2816 1 5 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.038 0.123 18715 2817 1 5 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.166 -0.213 18715 2818 1 5 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.992 -0.724 18715 2819 1 5 . 1 1 75 75 LEU H H 75 7.765 7.765 7.732 0.033 18715 2820 1 5 . 1 1 76 76 ARG N N 76 119.228 119.228 119.068 0.160 18715 2821 1 5 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.938 -0.005 18715 2822 1 5 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.974 -0.292 18715 2823 1 5 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.161 -0.964 18715 2824 1 5 . 1 1 76 76 ARG H H 76 7.868 7.868 8.686 -0.818 18715 2825 1 5 . 1 1 77 77 SER N N 77 114.228 114.228 115.522 -1.294 18715 2826 1 5 . 1 1 77 77 SER HA H 77 4.263 4.263 4.229 0.034 18715 2827 1 5 . 1 1 77 77 SER CA C 77 62.668 62.668 62.295 0.372 18715 2828 1 5 . 1 1 77 77 SER CB C 77 62.849 62.849 62.997 -0.148 18715 2829 1 5 . 1 1 77 77 SER H H 77 8.576 8.576 8.066 0.510 18715 2830 1 5 . 1 1 78 78 LEU N N 78 125.790 125.790 123.425 2.365 18715 2831 1 5 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.294 0.127 18715 2832 1 5 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.051 0.911 18715 2833 1 5 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.230 0.813 18715 2834 1 5 . 1 1 78 78 LEU H H 78 8.458 8.458 8.094 0.364 18715 2835 1 5 . 1 1 79 79 TYR N N 79 119.852 119.852 119.359 0.493 18715 2836 1 5 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.073 -0.412 18715 2837 1 5 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.592 1.210 18715 2838 1 5 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.221 0.973 18715 2839 1 5 . 1 1 79 79 TYR H H 79 8.694 8.694 8.593 0.101 18715 2840 1 5 . 1 1 80 80 ASN N N 80 117.040 117.040 117.712 -0.672 18715 2841 1 5 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.426 -0.142 18715 2842 1 5 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.950 -1.163 18715 2843 1 5 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.862 -1.024 18715 2844 1 5 . 1 1 80 80 ASN H H 80 8.871 8.871 7.905 0.966 18715 2845 1 5 . 1 1 81 81 THR N N 81 115.790 115.790 118.161 -2.371 18715 2846 1 5 . 1 1 81 81 THR HA H 81 3.945 3.945 4.305 -0.360 18715 2847 1 5 . 1 1 81 81 THR CA C 81 67.855 67.855 66.995 0.860 18715 2848 1 5 . 1 1 81 81 THR CB C 81 69.140 69.140 68.972 0.168 18715 2849 1 5 . 1 1 81 81 THR H H 81 8.119 8.119 8.204 -0.085 18715 2850 1 5 . 1 1 82 82 ILE N N 82 121.102 121.102 121.172 -0.070 18715 2851 1 5 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.784 -0.116 18715 2852 1 5 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.372 -0.852 18715 2853 1 5 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.218 -0.732 18715 2854 1 5 . 1 1 82 82 ILE H H 82 8.090 8.090 8.750 -0.660 18715 2855 1 5 . 1 1 83 83 ALA N N 83 125.165 125.165 123.245 1.920 18715 2856 1 5 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.925 -0.034 18715 2857 1 5 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.184 0.671 18715 2858 1 5 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.970 -0.122 18715 2859 1 5 . 1 1 83 83 ALA H H 83 8.782 8.782 7.317 1.465 18715 2860 1 5 . 1 1 84 84 VAL N N 84 117.665 117.665 119.346 -1.681 18715 2861 1 5 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.605 -0.277 18715 2862 1 5 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.888 0.577 18715 2863 1 5 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.167 -0.472 18715 2864 1 5 . 1 1 84 84 VAL H H 84 7.795 7.795 7.570 0.225 18715 2865 1 5 . 1 1 85 85 LEU N N 85 122.040 122.040 120.159 1.881 18715 2866 1 5 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.953 -0.138 18715 2867 1 5 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.113 0.197 18715 2868 1 5 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.661 0.487 18715 2869 1 5 . 1 1 85 85 LEU H H 85 8.163 8.163 8.101 0.062 18715 2870 1 5 . 1 1 86 86 TYR N N 86 118.915 118.915 120.559 -1.644 18715 2871 1 5 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.041 -0.129 18715 2872 1 5 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.603 1.215 18715 2873 1 5 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.942 0.345 18715 2874 1 5 . 1 1 86 86 TYR H H 86 9.062 9.062 8.000 1.062 18715 2875 1 5 . 1 1 87 87 CYS N N 87 116.102 116.102 115.614 0.488 18715 2876 1 5 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.788 0.006 18715 2877 1 5 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.166 1.800 18715 2878 1 5 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.630 19.927 18715 2879 1 5 . 1 1 87 87 CYS H H 87 7.515 7.515 8.183 -0.668 18715 2880 1 5 . 1 1 88 88 VAL N N 88 119.978 119.978 118.229 1.749 18715 2881 1 5 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.790 0.088 18715 2882 1 5 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.505 0.941 18715 2883 1 5 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.454 0.042 18715 2884 1 5 . 1 1 88 88 VAL H H 88 8.448 8.448 7.400 1.048 18715 2885 1 5 . 1 1 89 89 HIS N N 89 118.915 118.915 114.768 4.147 18715 2886 1 5 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.604 0.271 18715 2887 1 5 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.347 0.773 18715 2888 1 5 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.145 -0.062 18715 2889 1 5 . 1 1 89 89 HIS H H 89 8.797 8.797 7.489 1.308 18715 2890 1 5 . 1 1 90 90 GLN N N 90 116.728 116.728 117.507 -0.779 18715 2891 1 5 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.284 0.101 18715 2892 1 5 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.737 -1.448 18715 2893 1 5 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.581 0.371 18715 2894 1 5 . 1 1 90 90 GLN H H 90 7.986 7.986 7.670 0.316 18715 2895 1 5 . 1 1 91 91 ARG N N 91 115.165 115.165 114.849 0.316 18715 2896 1 5 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.318 -0.305 18715 2897 1 5 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.105 1.078 18715 2898 1 5 . 1 1 91 91 ARG CB C 91 26.049 26.049 30.450 -4.401 18715 2899 1 5 . 1 1 91 91 ARG H H 91 7.883 7.883 7.642 0.241 18715 2900 1 5 . 1 1 92 92 ILE N N 92 120.087 120.087 124.662 -4.575 18715 2901 1 5 . 1 1 92 92 ILE HA H 92 3.985 3.985 3.951 0.034 18715 2902 1 5 . 1 1 92 92 ILE CA C 92 60.656 60.656 61.740 -1.085 18715 2903 1 5 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.189 0.741 18715 2904 1 5 . 1 1 92 92 ILE H H 92 8.335 8.335 7.731 0.604 18715 2905 1 5 . 1 1 93 93 ASP N N 93 129.228 129.228 124.136 5.092 18715 2906 1 5 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.702 -0.216 18715 2907 1 5 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.562 2.481 18715 2908 1 5 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.852 -0.456 18715 2909 1 5 . 1 1 93 93 ASP H H 93 8.620 8.620 8.318 0.302 18715 2910 1 5 . 1 1 94 94 VAL N N 94 115.790 115.790 118.661 -2.871 18715 2911 1 5 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.978 0.655 18715 2912 1 5 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.505 -3.385 18715 2913 1 5 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.666 2.846 18715 2914 1 5 . 1 1 94 94 VAL H H 94 7.751 7.751 7.658 0.093 18715 2915 1 5 . 1 1 95 95 LYS N N 95 118.915 118.915 120.834 -1.919 18715 2916 1 5 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.278 0.115 18715 2917 1 5 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.438 -1.767 18715 2918 1 5 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.082 0.926 18715 2919 1 5 . 1 1 95 95 LYS H H 95 9.239 9.239 8.552 0.687 18715 2920 1 5 . 1 1 96 96 ASP N N 96 112.040 112.040 112.758 -0.718 18715 2921 1 5 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.259 0.303 18715 2922 1 5 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.286 0.543 18715 2923 1 5 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.996 1.608 18715 2924 1 5 . 1 1 96 96 ASP H H 96 7.412 7.412 7.706 -0.294 18715 2925 1 5 . 1 1 97 97 THR N N 97 109.540 109.540 113.670 -4.130 18715 2926 1 5 . 1 1 97 97 THR HA H 97 3.661 3.661 4.012 -0.351 18715 2927 1 5 . 1 1 97 97 THR CA C 97 65.947 65.947 66.531 -0.584 18715 2928 1 5 . 1 1 97 97 THR CB C 97 70.285 70.285 68.900 1.386 18715 2929 1 5 . 1 1 97 97 THR H H 97 7.250 7.250 8.199 -0.949 18715 2930 1 5 . 1 1 98 98 LYS N N 98 121.102 121.102 121.668 -0.566 18715 2931 1 5 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.024 -0.079 18715 2932 1 5 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.387 0.241 18715 2933 1 5 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.851 0.076 18715 2934 1 5 . 1 1 98 98 LYS H H 98 7.868 7.868 8.027 -0.159 18715 2935 1 5 . 1 1 99 99 GLU N N 99 119.228 119.228 118.796 0.432 18715 2936 1 5 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.053 0.024 18715 2937 1 5 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.247 0.548 18715 2938 1 5 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.265 0.981 18715 2939 1 5 . 1 1 99 99 GLU H H 99 8.384 8.384 8.510 -0.126 18715 2940 1 5 . 1 1 100 100 ALA N N 100 118.915 118.915 120.705 -1.790 18715 2941 1 5 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.138 0.248 18715 2942 1 5 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.728 0.668 18715 2943 1 5 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.467 1.292 18715 2944 1 5 . 1 1 100 100 ALA H H 100 7.382 7.382 7.465 -0.083 18715 2945 1 5 . 1 1 101 101 LEU N N 101 117.978 117.978 118.600 -0.622 18715 2946 1 5 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.010 0.010 18715 2947 1 5 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.891 0.084 18715 2948 1 5 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.911 -0.418 18715 2949 1 5 . 1 1 101 101 LEU H H 101 8.119 8.119 7.788 0.331 18715 2950 1 5 . 1 1 102 102 ASP N N 102 120.478 120.478 119.567 0.911 18715 2951 1 5 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.384 -0.017 18715 2952 1 5 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.417 -0.065 18715 2953 1 5 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.553 -0.831 18715 2954 1 5 . 1 1 102 102 ASP H H 102 8.679 8.679 7.855 0.824 18715 2955 1 5 . 1 1 103 103 LYS N N 103 120.165 120.165 119.798 0.367 18715 2956 1 5 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.155 0.009 18715 2957 1 5 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.174 -0.810 18715 2958 1 5 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.431 -0.899 18715 2959 1 5 . 1 1 103 103 LYS H H 103 8.207 8.207 7.710 0.497 18715 2960 1 5 . 1 1 104 104 ILE N N 104 119.852 119.852 119.531 0.321 18715 2961 1 5 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.768 0.042 18715 2962 1 5 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.152 -0.544 18715 2963 1 5 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.907 -0.473 18715 2964 1 5 . 1 1 104 104 ILE H H 104 8.163 8.163 7.579 0.584 18715 2965 1 5 . 1 1 105 105 GLU N N 105 121.415 121.415 120.355 1.060 18715 2966 1 5 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.986 0.049 18715 2967 1 5 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.768 -0.134 18715 2968 1 5 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.849 2.907 18715 2969 1 5 . 1 1 105 105 GLU H H 105 8.001 8.001 8.475 -0.474 18715 2970 1 5 . 1 1 106 106 GLU N N 106 119.228 119.228 119.760 -0.532 18715 2971 1 5 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.075 0.015 18715 2972 1 5 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.279 -0.012 18715 2973 1 5 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.642 -0.045 18715 2974 1 5 . 1 1 106 106 GLU H H 106 8.031 8.031 8.089 -0.058 18715 2975 1 5 . 1 1 107 107 GLU N N 107 118.915 118.915 118.216 0.699 18715 2976 1 5 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.131 -0.058 18715 2977 1 5 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.862 0.479 18715 2978 1 5 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.745 0.125 18715 2979 1 5 . 1 1 107 107 GLU H H 107 8.016 8.016 7.818 0.198 18715 2980 1 5 . 1 1 108 108 GLN N N 108 118.290 118.290 116.749 1.541 18715 2981 1 5 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.343 -0.196 18715 2982 1 5 . 1 1 108 108 GLN CA C 108 58.407 58.407 56.941 1.466 18715 2983 1 5 . 1 1 108 108 GLN CB C 108 28.845 28.845 29.129 -0.284 18715 2984 1 5 . 1 1 108 108 GLN H H 108 8.252 8.252 7.490 0.762 18715 2985 1 5 . 1 1 109 109 ASN N N 109 118.290 118.290 120.170 -1.880 18715 2986 1 5 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.413 0.204 18715 2987 1 5 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.473 -1.591 18715 2988 1 5 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.685 -0.160 18715 2989 1 5 . 1 1 109 109 ASN H H 109 8.252 8.252 8.423 -0.171 18715 2990 1 5 . 1 1 110 110 LYS N N 110 120.478 120.478 119.448 1.030 18715 2991 1 5 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.961 0.269 18715 2992 1 5 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.553 -1.242 18715 2993 1 5 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.383 0.308 18715 2994 1 5 . 1 1 110 110 LYS H H 110 8.031 8.031 7.731 0.300 18715 2995 1 5 . 1 1 111 111 SER N N 111 114.540 114.540 113.496 1.044 18715 2996 1 5 . 1 1 111 111 SER HA H 111 4.368 4.368 4.259 0.109 18715 2997 1 5 . 1 1 111 111 SER CA C 111 59.764 59.764 60.571 -0.807 18715 2998 1 5 . 1 1 111 111 SER CB C 111 63.442 63.442 63.102 0.341 18715 2999 1 5 . 1 1 111 111 SER H H 111 8.031 8.031 7.512 0.519 18715 3000 1 5 . 1 1 112 112 LYS N N 112 122.040 122.040 118.936 3.104 18715 3001 1 5 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.114 0.131 18715 3002 1 5 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.783 -1.454 18715 3003 1 5 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.497 0.278 18715 3004 1 5 . 1 1 112 112 LYS H H 112 7.957 7.957 7.475 0.482 18715 3005 1 5 . 1 1 113 113 LYS N N 113 120.790 120.790 118.811 1.979 18715 3006 1 5 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.155 -0.005 18715 3007 1 5 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.463 0.671 18715 3008 1 5 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.613 0.153 18715 3009 1 5 . 1 1 113 113 LYS H H 113 8.016 8.016 7.826 0.190 18715 3010 1 5 . 1 1 114 114 LYS N N 114 121.728 121.728 118.137 3.591 18715 3011 1 5 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.359 -0.096 18715 3012 1 5 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.794 1.391 18715 3013 1 5 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.596 0.261 18715 3014 1 5 . 1 1 114 114 LYS H H 114 8.119 8.119 7.480 0.639 18715 3015 1 5 . 1 1 115 115 ALA N N 115 124.228 124.228 121.172 3.056 18715 3016 1 5 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.625 -0.357 18715 3017 1 5 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.455 0.580 18715 3018 1 5 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.424 -0.386 18715 3019 1 5 . 1 1 115 115 ALA H H 115 8.178 8.178 7.498 0.680 18715 3020 1 5 . 1 1 116 116 GLN N N 116 119.228 119.228 118.857 0.371 18715 3021 1 5 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.410 -0.162 18715 3022 1 5 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.160 0.389 18715 3023 1 5 . 1 1 116 116 GLN H H 116 8.237 8.237 8.372 -0.135 18715 3024 1 5 . 1 1 117 117 GLN N N 117 120.478 120.478 119.555 0.923 18715 3025 1 5 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.031 0.238 18715 3026 1 5 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.761 -2.437 18715 3027 1 5 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.255 1.351 18715 3028 1 5 . 1 1 117 117 GLN H H 117 8.266 8.266 8.238 0.028 18715 3029 1 5 . 1 1 118 118 ALA N N 118 124.852 124.852 121.431 3.421 18715 3030 1 5 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.087 0.189 18715 3031 1 5 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.441 -1.604 18715 3032 1 5 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.326 0.736 18715 3033 1 5 . 1 1 118 118 ALA H H 118 8.266 8.266 8.257 0.009 18715 3034 1 5 . 1 1 119 119 ALA N N 119 122.978 122.978 119.238 3.740 18715 3035 1 5 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.350 -0.056 18715 3036 1 5 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.018 0.619 18715 3037 1 5 . 1 1 119 119 ALA CB C 119 19.201 19.201 16.784 2.417 18715 3038 1 5 . 1 1 119 119 ALA H H 119 8.163 8.163 8.071 0.092 18715 3039 1 5 . 1 1 120 120 ALA N N 120 122.665 122.665 124.760 -2.095 18715 3040 1 5 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.295 -0.018 18715 3041 1 5 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.354 0.382 18715 3042 1 5 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.118 -0.951 18715 3043 1 5 . 1 1 120 120 ALA H H 120 8.163 8.163 7.850 0.313 18715 3044 1 5 . 1 1 121 121 ASP N N 121 119.228 119.228 121.994 -2.766 18715 3045 1 5 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.712 -0.030 18715 3046 1 5 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.950 0.313 18715 3047 1 5 . 1 1 121 121 ASP CB C 121 41.128 41.128 39.670 1.458 18715 3048 1 5 . 1 1 121 121 ASP H H 121 8.252 8.252 8.301 -0.049 18715 3049 1 5 . 1 1 122 122 THR N N 122 113.602 113.602 117.410 -3.808 18715 3050 1 5 . 1 1 122 122 THR HA H 122 4.358 4.358 4.516 -0.158 18715 3051 1 5 . 1 1 122 122 THR CA C 122 61.971 61.971 60.323 1.648 18715 3052 1 5 . 1 1 122 122 THR CB C 122 69.586 69.586 69.806 -0.220 18715 3053 1 5 . 1 1 122 122 THR H H 122 8.075 8.075 7.601 0.474 18715 3054 1 5 . 1 1 123 123 GLY N N 123 110.478 110.478 107.610 2.868 18715 3055 1 5 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.097 0.506 18715 3056 1 5 . 1 1 123 123 GLY H H 123 8.414 8.414 8.426 -0.012 18715 3057 1 5 . 1 1 124 124 ASN N N 124 118.602 118.602 117.786 0.816 18715 3058 1 5 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.570 0.038 18715 3059 1 5 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.883 1.850 18715 3060 1 5 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.323 -0.785 18715 3061 1 5 . 1 1 124 124 ASN H H 124 8.266 8.266 7.800 0.466 18715 3062 1 5 . 1 1 125 125 ASN N N 125 119.228 119.228 118.581 0.647 18715 3063 1 5 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.484 0.239 18715 3064 1 5 . 1 1 125 125 ASN CA C 125 53.453 53.453 54.310 -0.857 18715 3065 1 5 . 1 1 125 125 ASN CB C 125 38.813 38.813 37.744 1.069 18715 3066 1 5 . 1 1 125 125 ASN H H 125 8.443 8.443 8.526 -0.083 18715 3067 1 5 . 1 1 126 126 SER N N 126 115.790 115.790 118.623 -2.833 18715 3068 1 5 . 1 1 126 126 SER HA H 126 4.388 4.388 4.764 -0.376 18715 3069 1 5 . 1 1 126 126 SER CA C 126 58.851 58.851 57.418 1.433 18715 3070 1 5 . 1 1 126 126 SER CB C 126 63.926 63.926 65.362 -1.437 18715 3071 1 5 . 1 1 126 126 SER H H 126 8.266 8.266 8.329 -0.063 18715 3072 1 5 . 1 1 127 127 GLN N N 127 121.728 121.728 120.714 1.014 18715 3073 1 5 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.237 0.086 18715 3074 1 5 . 1 1 127 127 GLN CA C 127 56.223 56.223 56.197 0.026 18715 3075 1 5 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.084 0.084 18715 3076 1 5 . 1 1 127 127 GLN H H 127 8.355 8.355 8.379 -0.024 18715 3077 1 5 . 1 1 128 128 VAL N N 128 119.852 119.852 121.615 -1.763 18715 3078 1 5 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.321 -0.212 18715 3079 1 5 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.092 0.573 18715 3080 1 5 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.269 0.500 18715 3081 1 5 . 1 1 128 128 VAL H H 128 7.986 7.986 8.452 -0.466 18715 3082 1 5 . 1 1 129 129 SER N N 129 117.978 117.978 122.186 -4.208 18715 3083 1 5 . 1 1 129 129 SER HA H 129 4.136 4.136 4.610 -0.474 18715 3084 1 5 . 1 1 129 129 SER CA C 129 58.404 58.404 57.191 1.213 18715 3085 1 5 . 1 1 129 129 SER CB C 129 63.755 63.755 65.157 -1.402 18715 3086 1 5 . 1 1 129 129 SER H H 129 8.252 8.252 8.380 -0.128 18715 3087 1 5 . 1 1 130 130 GLN N N 130 121.728 121.728 121.519 0.209 18715 3088 1 5 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.322 0.033 18715 3089 1 5 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.352 -0.202 18715 3090 1 5 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.322 0.051 18715 3091 1 5 . 1 1 130 130 GLN H H 130 8.355 8.355 8.509 -0.154 18715 3092 1 5 . 1 1 131 131 ASN N N 131 118.290 118.290 118.593 -0.303 18715 3093 1 5 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.593 0.039 18715 3094 1 5 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.947 -0.379 18715 3095 1 5 . 1 1 131 131 ASN H H 131 8.252 8.252 8.629 -0.377 18715 3096 1 6 . 1 1 3 3 ALA N N 3 123.842 123.842 126.433 -2.591 18715 3097 1 6 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.762 -0.434 18715 3098 1 6 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.680 0.857 18715 3099 1 6 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.151 -1.901 18715 3100 1 6 . 1 1 3 3 ALA H H 3 8.183 8.183 8.229 -0.046 18715 3101 1 6 . 1 1 4 4 ARG N N 4 120.165 120.165 123.591 -3.426 18715 3102 1 6 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.526 -0.270 18715 3103 1 6 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.996 -0.031 18715 3104 1 6 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.169 1.792 18715 3105 1 6 . 1 1 4 4 ARG H H 4 8.429 8.429 8.542 -0.113 18715 3106 1 6 . 1 1 5 5 ALA N N 5 125.165 125.165 126.309 -1.144 18715 3107 1 6 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.638 -0.356 18715 3108 1 6 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.909 0.462 18715 3109 1 6 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.460 -0.788 18715 3110 1 6 . 1 1 5 5 ALA H H 5 8.370 8.370 8.238 0.132 18715 3111 1 6 . 1 1 6 6 SER N N 6 114.540 114.540 119.896 -5.356 18715 3112 1 6 . 1 1 6 6 SER HA H 6 4.479 4.479 4.564 -0.085 18715 3113 1 6 . 1 1 6 6 SER CA C 6 57.804 57.804 58.250 -0.446 18715 3114 1 6 . 1 1 6 6 SER CB C 6 64.034 64.034 63.435 0.599 18715 3115 1 6 . 1 1 6 6 SER H H 6 8.134 8.134 8.487 -0.353 18715 3116 1 6 . 1 1 7 7 VAL N N 7 121.415 121.415 126.025 -4.610 18715 3117 1 6 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.904 -0.287 18715 3118 1 6 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.232 1.479 18715 3119 1 6 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.298 -0.362 18715 3120 1 6 . 1 1 7 7 VAL H H 7 8.119 8.119 8.553 -0.434 18715 3121 1 6 . 1 1 8 8 LEU N N 8 115.478 115.478 117.890 -2.412 18715 3122 1 6 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.864 0.068 18715 3123 1 6 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.053 -0.546 18715 3124 1 6 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.086 1.217 18715 3125 1 6 . 1 1 8 8 LEU H H 8 7.382 7.382 7.509 -0.127 18715 3126 1 6 . 1 1 9 9 SER N N 9 118.290 118.290 120.191 -1.901 18715 3127 1 6 . 1 1 9 9 SER HA H 9 4.606 4.606 4.406 0.200 18715 3128 1 6 . 1 1 9 9 SER CA C 9 57.197 57.197 57.900 -0.703 18715 3129 1 6 . 1 1 9 9 SER CB C 9 65.426 65.426 65.296 0.130 18715 3130 1 6 . 1 1 9 9 SER H H 9 9.166 9.166 8.838 0.328 18715 3131 1 6 . 1 1 10 10 GLY N N 10 109.228 109.228 108.824 0.404 18715 3132 1 6 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.965 0.709 18715 3133 1 6 . 1 1 10 10 GLY H H 10 8.959 8.959 8.739 0.220 18715 3134 1 6 . 1 1 11 11 GLY N N 11 111.102 111.102 109.832 1.270 18715 3135 1 6 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.457 0.204 18715 3136 1 6 . 1 1 11 11 GLY H H 11 8.782 8.782 7.770 1.012 18715 3137 1 6 . 1 1 12 12 GLU N N 12 120.165 120.165 122.200 -2.035 18715 3138 1 6 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.943 0.007 18715 3139 1 6 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.851 0.245 18715 3140 1 6 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.450 1.840 18715 3141 1 6 . 1 1 12 12 GLU H H 12 7.751 7.751 7.547 0.204 18715 3142 1 6 . 1 1 13 13 LEU N N 13 121.415 121.415 119.939 1.476 18715 3143 1 6 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.049 0.059 18715 3144 1 6 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.032 0.030 18715 3145 1 6 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.991 -1.055 18715 3146 1 6 . 1 1 13 13 LEU H H 13 8.340 8.340 8.643 -0.303 18715 3147 1 6 . 1 1 14 14 ASP N N 14 116.415 116.415 119.722 -3.307 18715 3148 1 6 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.364 0.029 18715 3149 1 6 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.747 -0.611 18715 3150 1 6 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.693 0.393 18715 3151 1 6 . 1 1 14 14 ASP H H 14 7.574 7.574 7.601 -0.027 18715 3152 1 6 . 1 1 15 15 LYS N N 15 115.478 115.478 119.481 -4.003 18715 3153 1 6 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.116 -0.070 18715 3154 1 6 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.527 -0.125 18715 3155 1 6 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.062 0.298 18715 3156 1 6 . 1 1 15 15 LYS H H 15 7.117 7.117 7.558 -0.441 18715 3157 1 6 . 1 1 16 16 TRP N N 16 121.693 121.693 121.441 0.252 18715 3158 1 6 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.210 -0.185 18715 3159 1 6 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.637 -0.351 18715 3160 1 6 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.410 1.703 18715 3161 1 6 . 1 1 16 16 TRP H H 16 8.646 8.646 8.398 0.248 18715 3162 1 6 . 1 1 17 17 GLU N N 17 127.710 127.710 117.443 10.267 18715 3163 1 6 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.336 0.355 18715 3164 1 6 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.997 -2.228 18715 3165 1 6 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.582 0.163 18715 3166 1 6 . 1 1 17 17 GLU H H 17 7.571 7.571 8.092 -0.521 18715 3167 1 6 . 1 1 18 18 LYS N N 18 115.790 115.790 118.892 -3.102 18715 3168 1 6 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.308 0.189 18715 3169 1 6 . 1 1 18 18 LYS CA C 18 55.569 55.569 58.322 -2.753 18715 3170 1 6 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.109 0.829 18715 3171 1 6 . 1 1 18 18 LYS H H 18 7.456 7.456 7.232 0.224 18715 3172 1 6 . 1 1 19 19 ILE N N 19 124.228 124.228 119.817 4.411 18715 3173 1 6 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.002 -0.445 18715 3174 1 6 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.533 -0.413 18715 3175 1 6 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.846 0.336 18715 3176 1 6 . 1 1 19 19 ILE H H 19 7.633 7.633 7.726 -0.093 18715 3177 1 6 . 1 1 20 20 ARG N N 20 125.790 125.790 123.716 2.074 18715 3178 1 6 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.464 -0.036 18715 3179 1 6 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.029 1.466 18715 3180 1 6 . 1 1 20 20 ARG CB C 20 31.537 31.537 32.195 -0.658 18715 3181 1 6 . 1 1 20 20 ARG H H 20 8.031 8.031 8.140 -0.109 18715 3182 1 6 . 1 1 21 21 LEU N N 21 120.165 120.165 121.082 -0.917 18715 3183 1 6 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.783 -0.337 18715 3184 1 6 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.088 1.147 18715 3185 1 6 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.039 -0.504 18715 3186 1 6 . 1 1 21 21 LEU H H 21 7.810 7.810 7.619 0.191 18715 3187 1 6 . 1 1 22 22 ARG N N 22 119.540 119.540 116.044 3.496 18715 3188 1 6 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.571 0.274 18715 3189 1 6 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.414 -0.570 18715 3190 1 6 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.210 -0.593 18715 3191 1 6 . 1 1 22 22 ARG H H 22 8.974 8.974 7.644 1.330 18715 3192 1 6 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.409 -0.049 18715 3193 1 6 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.528 -1.092 18715 3194 1 6 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.269 -0.704 18715 3195 1 6 . 1 1 24 24 GLY N N 24 112.665 112.665 106.307 6.358 18715 3196 1 6 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.652 1.153 18715 3197 1 6 . 1 1 24 24 GLY H H 24 9.138 9.138 7.869 1.269 18715 3198 1 6 . 1 1 25 25 GLY N N 25 107.978 107.978 107.679 0.299 18715 3199 1 6 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.523 0.049 18715 3200 1 6 . 1 1 25 25 GLY H H 25 8.134 8.134 7.632 0.502 18715 3201 1 6 . 1 1 26 26 LYS N N 26 117.665 117.665 119.759 -2.094 18715 3202 1 6 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.361 -0.097 18715 3203 1 6 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.758 1.095 18715 3204 1 6 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.691 1.365 18715 3205 1 6 . 1 1 26 26 LYS H H 26 8.665 8.665 8.380 0.285 18715 3206 1 6 . 1 1 27 27 LYS N N 27 117.925 117.925 119.989 -2.064 18715 3207 1 6 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.574 -0.263 18715 3208 1 6 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.309 1.902 18715 3209 1 6 . 1 1 27 27 LYS CB C 27 33.878 33.878 33.860 0.018 18715 3210 1 6 . 1 1 27 27 LYS H H 27 7.817 7.817 7.808 0.009 18715 3211 1 6 . 1 1 28 28 GLN N N 28 122.978 122.978 122.004 0.974 18715 3212 1 6 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.228 0.588 18715 3213 1 6 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.528 -1.055 18715 3214 1 6 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.903 4.151 18715 3215 1 6 . 1 1 28 28 GLN H H 28 8.458 8.458 8.469 -0.011 18715 3216 1 6 . 1 1 29 29 TYR N N 29 119.540 119.540 119.255 0.285 18715 3217 1 6 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.467 -0.735 18715 3218 1 6 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.937 1.073 18715 3219 1 6 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.192 -1.976 18715 3220 1 6 . 1 1 29 29 TYR H H 29 7.824 7.824 8.401 -0.577 18715 3221 1 6 . 1 1 30 30 LYS N N 30 117.978 117.978 120.706 -2.728 18715 3222 1 6 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.889 0.327 18715 3223 1 6 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.061 -0.996 18715 3224 1 6 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.124 2.464 18715 3225 1 6 . 1 1 30 30 LYS H H 30 10.610 10.610 9.222 1.388 18715 3226 1 6 . 1 1 31 31 LEU N N 31 128.602 128.602 125.567 3.035 18715 3227 1 6 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.086 0.095 18715 3228 1 6 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.852 1.382 18715 3229 1 6 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.204 -0.202 18715 3230 1 6 . 1 1 31 31 LEU H H 31 9.991 9.991 8.899 1.092 18715 3231 1 6 . 1 1 32 32 LYS N N 32 115.165 115.165 118.772 -3.607 18715 3232 1 6 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.961 0.184 18715 3233 1 6 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.253 -0.156 18715 3234 1 6 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.944 -0.385 18715 3235 1 6 . 1 1 32 32 LYS H H 32 8.399 8.399 8.657 -0.258 18715 3236 1 6 . 1 1 33 33 HIS N N 33 119.540 119.540 116.960 2.580 18715 3237 1 6 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.741 -0.137 18715 3238 1 6 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.298 3.593 18715 3239 1 6 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.593 2.191 18715 3240 1 6 . 1 1 33 33 HIS H H 33 8.193 8.193 8.020 0.173 18715 3241 1 6 . 1 1 34 34 ILE N N 34 119.540 119.540 120.835 -1.295 18715 3242 1 6 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.862 -0.068 18715 3243 1 6 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.736 -0.888 18715 3244 1 6 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.770 -0.791 18715 3245 1 6 . 1 1 34 34 ILE H H 34 7.898 7.898 7.553 0.345 18715 3246 1 6 . 1 1 35 35 VAL N N 35 122.040 122.040 119.372 2.668 18715 3247 1 6 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.742 -0.130 18715 3248 1 6 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.789 -0.043 18715 3249 1 6 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.822 0.320 18715 3250 1 6 . 1 1 35 35 VAL H H 35 7.706 7.706 8.545 -0.839 18715 3251 1 6 . 1 1 36 36 TRP N N 36 119.986 119.986 122.474 -2.488 18715 3252 1 6 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.283 -0.050 18715 3253 1 6 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.777 0.333 18715 3254 1 6 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.526 -1.114 18715 3255 1 6 . 1 1 36 36 TRP H H 36 8.452 8.452 7.793 0.659 18715 3256 1 6 . 1 1 37 37 ALA N N 37 120.478 120.478 119.014 1.464 18715 3257 1 6 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.800 -0.410 18715 3258 1 6 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.726 0.387 18715 3259 1 6 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.104 -0.674 18715 3260 1 6 . 1 1 37 37 ALA H H 37 8.311 8.311 8.057 0.254 18715 3261 1 6 . 1 1 38 38 SER N N 38 111.415 111.415 114.836 -3.421 18715 3262 1 6 . 1 1 38 38 SER HA H 38 3.906 3.906 4.108 -0.202 18715 3263 1 6 . 1 1 38 38 SER CA C 38 62.801 62.801 61.234 1.567 18715 3264 1 6 . 1 1 38 38 SER CB C 38 62.829 62.829 63.104 -0.275 18715 3265 1 6 . 1 1 38 38 SER H H 38 8.259 8.259 7.604 0.655 18715 3266 1 6 . 1 1 39 39 ARG N N 39 119.852 119.852 120.407 -0.555 18715 3267 1 6 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.233 -0.087 18715 3268 1 6 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.341 0.069 18715 3269 1 6 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.432 -0.424 18715 3270 1 6 . 1 1 39 39 ARG H H 39 7.559 7.559 7.658 -0.099 18715 3271 1 6 . 1 1 40 40 GLU N N 40 121.102 121.102 119.604 1.498 18715 3272 1 6 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.828 -0.041 18715 3273 1 6 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.886 0.395 18715 3274 1 6 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.799 0.875 18715 3275 1 6 . 1 1 40 40 GLU H H 40 8.222 8.222 7.363 0.859 18715 3276 1 6 . 1 1 41 41 LEU N N 41 117.040 117.040 120.491 -3.451 18715 3277 1 6 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.116 -0.163 18715 3278 1 6 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.993 0.330 18715 3279 1 6 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.066 -1.886 18715 3280 1 6 . 1 1 41 41 LEU H H 41 8.016 8.016 8.006 0.010 18715 3281 1 6 . 1 1 42 42 GLU N N 42 117.352 117.352 118.296 -0.944 18715 3282 1 6 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.017 0.110 18715 3283 1 6 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.112 0.459 18715 3284 1 6 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.308 0.357 18715 3285 1 6 . 1 1 42 42 GLU H H 42 7.559 7.559 7.614 -0.055 18715 3286 1 6 . 1 1 43 43 ARG N N 43 119.540 119.540 118.574 0.966 18715 3287 1 6 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.018 0.024 18715 3288 1 6 . 1 1 43 43 ARG CA C 43 58.490 58.490 57.765 0.725 18715 3289 1 6 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.939 -0.275 18715 3290 1 6 . 1 1 43 43 ARG H H 43 7.647 7.647 7.514 0.133 18715 3291 1 6 . 1 1 44 44 PHE N N 44 117.665 117.665 118.418 -0.753 18715 3292 1 6 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.689 -0.075 18715 3293 1 6 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.322 1.036 18715 3294 1 6 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.165 1.001 18715 3295 1 6 . 1 1 44 44 PHE H H 44 7.529 7.529 7.586 -0.057 18715 3296 1 6 . 1 1 45 45 ALA N N 45 118.915 118.915 119.965 -1.050 18715 3297 1 6 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.930 0.085 18715 3298 1 6 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.394 0.020 18715 3299 1 6 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.072 -0.793 18715 3300 1 6 . 1 1 45 45 ALA H H 45 7.928 7.928 7.728 0.200 18715 3301 1 6 . 1 1 46 46 VAL N N 46 119.540 119.540 118.828 0.712 18715 3302 1 6 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.138 -0.043 18715 3303 1 6 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.129 -0.308 18715 3304 1 6 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.731 0.635 18715 3305 1 6 . 1 1 46 46 VAL H H 46 7.765 7.765 7.684 0.081 18715 3306 1 6 . 1 1 47 47 ASN N N 47 125.790 125.790 127.378 -1.588 18715 3307 1 6 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.699 -0.053 18715 3308 1 6 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.566 -1.569 18715 3309 1 6 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.787 0.299 18715 3310 1 6 . 1 1 47 47 ASN H H 47 8.399 8.399 8.907 -0.508 18715 3311 1 6 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.413 -0.191 18715 3312 1 6 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.603 -0.289 18715 3313 1 6 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.914 -0.174 18715 3314 1 6 . 1 1 49 49 GLY N N 49 108.290 108.290 107.585 0.705 18715 3315 1 6 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.255 0.275 18715 3316 1 6 . 1 1 49 49 GLY H H 49 8.620 8.620 8.639 -0.019 18715 3317 1 6 . 1 1 50 50 LEU N N 50 121.728 121.728 121.508 0.220 18715 3318 1 6 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.158 -0.012 18715 3319 1 6 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.075 1.166 18715 3320 1 6 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.798 -0.235 18715 3321 1 6 . 1 1 50 50 LEU H H 50 7.765 7.765 7.527 0.238 18715 3322 1 6 . 1 1 51 51 LEU N N 51 112.040 112.040 117.979 -5.939 18715 3323 1 6 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.152 0.086 18715 3324 1 6 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.121 -0.614 18715 3325 1 6 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.886 0.604 18715 3326 1 6 . 1 1 51 51 LEU H H 51 7.412 7.412 7.691 -0.279 18715 3327 1 6 . 1 1 52 52 GLU N N 52 114.540 114.540 113.858 0.682 18715 3328 1 6 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.383 -0.328 18715 3329 1 6 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.230 3.154 18715 3330 1 6 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.498 1.560 18715 3331 1 6 . 1 1 52 52 GLU H H 52 7.500 7.500 7.641 -0.141 18715 3332 1 6 . 1 1 53 53 THR N N 53 122.978 122.978 111.702 11.276 18715 3333 1 6 . 1 1 53 53 THR HA H 53 4.402 4.402 4.553 -0.151 18715 3334 1 6 . 1 1 53 53 THR CA C 53 58.306 58.306 60.656 -2.350 18715 3335 1 6 . 1 1 53 53 THR CB C 53 73.222 73.222 71.813 1.409 18715 3336 1 6 . 1 1 53 53 THR H H 53 7.235 7.235 7.604 -0.369 18715 3337 1 6 . 1 1 54 54 SER N N 54 119.228 119.228 121.861 -2.633 18715 3338 1 6 . 1 1 54 54 SER HA H 54 4.043 4.043 4.291 -0.248 18715 3339 1 6 . 1 1 54 54 SER CA C 54 62.657 62.657 62.116 0.541 18715 3340 1 6 . 1 1 54 54 SER CB C 54 62.562 62.562 63.008 -0.446 18715 3341 1 6 . 1 1 54 54 SER H H 54 9.313 9.313 8.862 0.451 18715 3342 1 6 . 1 1 55 55 GLU N N 55 121.233 121.233 121.264 -0.031 18715 3343 1 6 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.359 -0.290 18715 3344 1 6 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.393 1.282 18715 3345 1 6 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.465 -0.466 18715 3346 1 6 . 1 1 55 55 GLU H H 55 8.975 8.975 8.471 0.504 18715 3347 1 6 . 1 1 56 56 GLY N N 56 110.790 110.790 108.687 2.103 18715 3348 1 6 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.366 0.500 18715 3349 1 6 . 1 1 56 56 GLY H H 56 8.517 8.517 8.180 0.337 18715 3350 1 6 . 1 1 57 57 CYS N N 57 118.602 118.602 119.722 -1.120 18715 3351 1 6 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.121 -0.101 18715 3352 1 6 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.105 0.497 18715 3353 1 6 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.666 20.129 18715 3354 1 6 . 1 1 57 57 CYS H H 57 8.122 8.122 8.120 0.002 18715 3355 1 6 . 1 1 58 58 ARG N N 58 119.540 119.540 118.178 1.362 18715 3356 1 6 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.575 -0.025 18715 3357 1 6 . 1 1 58 58 ARG CA C 58 59.707 59.707 58.981 0.726 18715 3358 1 6 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.662 -0.213 18715 3359 1 6 . 1 1 58 58 ARG H H 58 8.488 8.488 7.694 0.794 18715 3360 1 6 . 1 1 59 59 GLN N N 59 119.852 119.852 118.973 0.879 18715 3361 1 6 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.104 -0.052 18715 3362 1 6 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.580 0.820 18715 3363 1 6 . 1 1 59 59 GLN CB C 59 28.234 28.234 29.003 -0.770 18715 3364 1 6 . 1 1 59 59 GLN H H 59 8.016 8.016 7.563 0.453 18715 3365 1 6 . 1 1 60 60 ILE N N 60 120.790 120.790 120.242 0.548 18715 3366 1 6 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.740 -0.129 18715 3367 1 6 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.478 0.112 18715 3368 1 6 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.928 -0.078 18715 3369 1 6 . 1 1 60 60 ILE H H 60 8.163 8.163 8.576 -0.413 18715 3370 1 6 . 1 1 61 61 LEU N N 61 118.915 118.915 118.077 0.838 18715 3371 1 6 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.126 -0.231 18715 3372 1 6 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.105 1.548 18715 3373 1 6 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.290 -0.514 18715 3374 1 6 . 1 1 61 61 LEU H H 61 8.370 8.370 7.841 0.529 18715 3375 1 6 . 1 1 62 62 GLY N N 62 104.332 104.332 106.095 -1.763 18715 3376 1 6 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.776 0.408 18715 3377 1 6 . 1 1 62 62 GLY H H 62 7.883 7.883 7.937 -0.054 18715 3378 1 6 . 1 1 63 63 GLN N N 63 119.852 119.852 119.002 0.850 18715 3379 1 6 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.237 -0.085 18715 3380 1 6 . 1 1 63 63 GLN CA C 63 57.994 57.994 58.044 -0.050 18715 3381 1 6 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.056 0.143 18715 3382 1 6 . 1 1 63 63 GLN H H 63 7.795 7.795 7.540 0.255 18715 3383 1 6 . 1 1 64 64 LEU N N 64 117.040 117.040 119.362 -2.322 18715 3384 1 6 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.086 0.195 18715 3385 1 6 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.513 -0.412 18715 3386 1 6 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.982 2.261 18715 3387 1 6 . 1 1 64 64 LEU H H 64 8.252 8.252 7.459 0.793 18715 3388 1 6 . 1 1 65 65 GLN N N 65 118.915 118.915 119.817 -0.902 18715 3389 1 6 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.843 -0.064 18715 3390 1 6 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.984 0.563 18715 3391 1 6 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.836 -0.972 18715 3392 1 6 . 1 1 65 65 GLN H H 65 8.104 8.104 8.374 -0.270 18715 3393 1 6 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.322 0.061 18715 3394 1 6 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.922 0.995 18715 3395 1 6 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.206 -0.107 18715 3396 1 6 . 1 1 67 67 SER N N 67 111.415 111.415 114.300 -2.885 18715 3397 1 6 . 1 1 67 67 SER HA H 67 4.493 4.493 4.310 0.183 18715 3398 1 6 . 1 1 67 67 SER CA C 67 59.696 59.696 60.694 -0.998 18715 3399 1 6 . 1 1 67 67 SER CB C 67 64.031 64.031 63.056 0.975 18715 3400 1 6 . 1 1 67 67 SER H H 67 7.824 7.824 7.568 0.256 18715 3401 1 6 . 1 1 68 68 LEU N N 68 121.102 121.102 121.944 -0.842 18715 3402 1 6 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.819 -0.003 18715 3403 1 6 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.998 -0.050 18715 3404 1 6 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.414 0.355 18715 3405 1 6 . 1 1 68 68 LEU H H 68 7.647 7.647 7.974 -0.327 18715 3406 1 6 . 1 1 69 69 GLN N N 69 116.415 116.415 118.763 -2.348 18715 3407 1 6 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.067 0.002 18715 3408 1 6 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.321 0.149 18715 3409 1 6 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.906 -0.478 18715 3410 1 6 . 1 1 69 69 GLN H H 69 8.060 8.060 8.396 -0.336 18715 3411 1 6 . 1 1 70 70 THR N N 70 106.728 106.728 112.225 -5.497 18715 3412 1 6 . 1 1 70 70 THR HA H 70 4.481 4.481 4.484 -0.003 18715 3413 1 6 . 1 1 70 70 THR CA C 70 61.291 61.291 61.502 -0.211 18715 3414 1 6 . 1 1 70 70 THR CB C 70 69.415 69.415 69.129 0.286 18715 3415 1 6 . 1 1 70 70 THR H H 70 7.515 7.515 7.709 -0.194 18715 3416 1 6 . 1 1 71 71 GLY N N 71 109.540 109.540 110.036 -0.496 18715 3417 1 6 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.991 1.562 18715 3418 1 6 . 1 1 71 71 GLY H H 71 7.692 7.692 7.355 0.337 18715 3419 1 6 . 1 1 72 72 SER N N 72 114.540 114.540 115.285 -0.745 18715 3420 1 6 . 1 1 72 72 SER HA H 72 4.625 4.625 4.622 0.003 18715 3421 1 6 . 1 1 72 72 SER CA C 72 57.319 57.319 56.895 0.424 18715 3422 1 6 . 1 1 72 72 SER CB C 72 64.599 64.599 64.932 -0.333 18715 3423 1 6 . 1 1 72 72 SER H H 72 8.045 8.045 7.960 0.085 18715 3424 1 6 . 1 1 73 73 GLU N N 73 124.228 124.228 121.011 3.217 18715 3425 1 6 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.035 0.052 18715 3426 1 6 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.847 -0.467 18715 3427 1 6 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.469 -0.167 18715 3428 1 6 . 1 1 73 73 GLU H H 73 9.092 9.092 8.898 0.194 18715 3429 1 6 . 1 1 74 74 GLU N N 74 120.165 120.165 118.878 1.287 18715 3430 1 6 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.331 -0.042 18715 3431 1 6 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.455 0.773 18715 3432 1 6 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.569 -0.107 18715 3433 1 6 . 1 1 74 74 GLU H H 74 8.665 8.665 8.038 0.627 18715 3434 1 6 . 1 1 75 75 LEU N N 75 121.415 121.415 120.756 0.659 18715 3435 1 6 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.043 0.118 18715 3436 1 6 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.102 -0.149 18715 3437 1 6 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.000 -0.732 18715 3438 1 6 . 1 1 75 75 LEU H H 75 7.765 7.765 7.577 0.188 18715 3439 1 6 . 1 1 76 76 ARG N N 76 119.228 119.228 119.208 0.020 18715 3440 1 6 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.974 -0.041 18715 3441 1 6 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.896 -0.214 18715 3442 1 6 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.062 -0.865 18715 3443 1 6 . 1 1 76 76 ARG H H 76 7.868 7.868 8.100 -0.232 18715 3444 1 6 . 1 1 77 77 SER N N 77 114.228 114.228 116.134 -1.906 18715 3445 1 6 . 1 1 77 77 SER HA H 77 4.263 4.263 4.145 0.118 18715 3446 1 6 . 1 1 77 77 SER CA C 77 62.668 62.668 62.468 0.200 18715 3447 1 6 . 1 1 77 77 SER CB C 77 62.849 62.849 63.143 -0.294 18715 3448 1 6 . 1 1 77 77 SER H H 77 8.576 8.576 8.404 0.172 18715 3449 1 6 . 1 1 78 78 LEU N N 78 125.790 125.790 123.237 2.553 18715 3450 1 6 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.324 0.097 18715 3451 1 6 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.839 1.123 18715 3452 1 6 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.296 0.747 18715 3453 1 6 . 1 1 78 78 LEU H H 78 8.458 8.458 7.923 0.535 18715 3454 1 6 . 1 1 79 79 TYR N N 79 119.852 119.852 119.532 0.320 18715 3455 1 6 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.082 -0.421 18715 3456 1 6 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.659 1.143 18715 3457 1 6 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.329 0.865 18715 3458 1 6 . 1 1 79 79 TYR H H 79 8.694 8.694 8.466 0.228 18715 3459 1 6 . 1 1 80 80 ASN N N 80 117.040 117.040 117.670 -0.630 18715 3460 1 6 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.501 -0.217 18715 3461 1 6 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.282 -0.495 18715 3462 1 6 . 1 1 80 80 ASN CB C 80 37.839 37.839 37.988 -0.149 18715 3463 1 6 . 1 1 80 80 ASN H H 80 8.871 8.871 8.109 0.762 18715 3464 1 6 . 1 1 81 81 THR N N 81 115.790 115.790 119.014 -3.224 18715 3465 1 6 . 1 1 81 81 THR HA H 81 3.945 3.945 4.297 -0.352 18715 3466 1 6 . 1 1 81 81 THR CA C 81 67.855 67.855 67.851 0.004 18715 3467 1 6 . 1 1 81 81 THR CB C 81 69.140 69.140 69.076 0.064 18715 3468 1 6 . 1 1 81 81 THR H H 81 8.119 8.119 8.159 -0.040 18715 3469 1 6 . 1 1 82 82 ILE N N 82 121.102 121.102 120.909 0.193 18715 3470 1 6 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.792 -0.124 18715 3471 1 6 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.301 -0.781 18715 3472 1 6 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.446 -0.960 18715 3473 1 6 . 1 1 82 82 ILE H H 82 8.090 8.090 8.645 -0.555 18715 3474 1 6 . 1 1 83 83 ALA N N 83 125.165 125.165 123.205 1.960 18715 3475 1 6 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.945 -0.054 18715 3476 1 6 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.140 0.715 18715 3477 1 6 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.952 -0.104 18715 3478 1 6 . 1 1 83 83 ALA H H 83 8.782 8.782 7.288 1.494 18715 3479 1 6 . 1 1 84 84 VAL N N 84 117.665 117.665 119.525 -1.860 18715 3480 1 6 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.485 -0.157 18715 3481 1 6 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.601 0.864 18715 3482 1 6 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.347 -0.652 18715 3483 1 6 . 1 1 84 84 VAL H H 84 7.795 7.795 7.615 0.180 18715 3484 1 6 . 1 1 85 85 LEU N N 85 122.040 122.040 119.884 2.156 18715 3485 1 6 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.976 -0.161 18715 3486 1 6 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.218 0.092 18715 3487 1 6 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.729 0.419 18715 3488 1 6 . 1 1 85 85 LEU H H 85 8.163 8.163 8.329 -0.166 18715 3489 1 6 . 1 1 86 86 TYR N N 86 118.915 118.915 120.530 -1.615 18715 3490 1 6 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.108 -0.196 18715 3491 1 6 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.314 1.504 18715 3492 1 6 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.795 0.492 18715 3493 1 6 . 1 1 86 86 TYR H H 86 9.062 9.062 7.661 1.401 18715 3494 1 6 . 1 1 87 87 CYS N N 87 116.102 116.102 116.789 -0.687 18715 3495 1 6 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.618 0.176 18715 3496 1 6 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.677 1.289 18715 3497 1 6 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.088 19.469 18715 3498 1 6 . 1 1 87 87 CYS H H 87 7.515 7.515 7.992 -0.477 18715 3499 1 6 . 1 1 88 88 VAL N N 88 119.978 119.978 118.989 0.989 18715 3500 1 6 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.910 -0.032 18715 3501 1 6 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.916 0.530 18715 3502 1 6 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.282 0.214 18715 3503 1 6 . 1 1 88 88 VAL H H 88 8.448 8.448 7.542 0.906 18715 3504 1 6 . 1 1 89 89 HIS N N 89 118.915 118.915 115.050 3.865 18715 3505 1 6 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.557 0.318 18715 3506 1 6 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.489 0.631 18715 3507 1 6 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.690 -0.607 18715 3508 1 6 . 1 1 89 89 HIS H H 89 8.797 8.797 7.354 1.443 18715 3509 1 6 . 1 1 90 90 GLN N N 90 116.728 116.728 117.906 -1.178 18715 3510 1 6 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.296 0.089 18715 3511 1 6 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.424 0.865 18715 3512 1 6 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.294 2.658 18715 3513 1 6 . 1 1 90 90 GLN H H 90 7.986 7.986 7.136 0.850 18715 3514 1 6 . 1 1 91 91 ARG N N 91 115.165 115.165 117.706 -2.541 18715 3515 1 6 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.924 0.089 18715 3516 1 6 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.346 -0.163 18715 3517 1 6 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.910 -1.861 18715 3518 1 6 . 1 1 91 91 ARG H H 91 7.883 7.883 7.645 0.238 18715 3519 1 6 . 1 1 92 92 ILE N N 92 120.087 120.087 119.980 0.107 18715 3520 1 6 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.253 -0.268 18715 3521 1 6 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.419 0.237 18715 3522 1 6 . 1 1 92 92 ILE CB C 92 38.930 38.930 40.166 -1.236 18715 3523 1 6 . 1 1 92 92 ILE H H 92 8.335 8.335 8.192 0.143 18715 3524 1 6 . 1 1 93 93 ASP N N 93 129.228 129.228 126.166 3.062 18715 3525 1 6 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.978 -0.493 18715 3526 1 6 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.047 1.996 18715 3527 1 6 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.941 -1.545 18715 3528 1 6 . 1 1 93 93 ASP H H 93 8.620 8.620 8.542 0.078 18715 3529 1 6 . 1 1 94 94 VAL N N 94 115.790 115.790 117.811 -2.021 18715 3530 1 6 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.450 0.183 18715 3531 1 6 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.493 -0.373 18715 3532 1 6 . 1 1 94 94 VAL CB C 94 35.512 35.512 33.759 1.753 18715 3533 1 6 . 1 1 94 94 VAL H H 94 7.751 7.751 8.258 -0.507 18715 3534 1 6 . 1 1 95 95 LYS N N 95 118.915 118.915 119.293 -0.378 18715 3535 1 6 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.334 0.059 18715 3536 1 6 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.568 -0.897 18715 3537 1 6 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.436 0.572 18715 3538 1 6 . 1 1 95 95 LYS H H 95 9.239 9.239 8.800 0.439 18715 3539 1 6 . 1 1 96 96 ASP N N 96 112.040 112.040 112.220 -0.180 18715 3540 1 6 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.306 0.256 18715 3541 1 6 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.598 0.231 18715 3542 1 6 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.699 0.905 18715 3543 1 6 . 1 1 96 96 ASP H H 96 7.412 7.412 7.622 -0.210 18715 3544 1 6 . 1 1 97 97 THR N N 97 109.540 109.540 114.430 -4.890 18715 3545 1 6 . 1 1 97 97 THR HA H 97 3.661 3.661 3.925 -0.264 18715 3546 1 6 . 1 1 97 97 THR CA C 97 65.947 65.947 67.437 -1.490 18715 3547 1 6 . 1 1 97 97 THR CB C 97 70.285 70.285 68.843 1.442 18715 3548 1 6 . 1 1 97 97 THR H H 97 7.250 7.250 8.460 -1.210 18715 3549 1 6 . 1 1 98 98 LYS N N 98 121.102 121.102 121.819 -0.717 18715 3550 1 6 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.961 -0.016 18715 3551 1 6 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.077 -0.449 18715 3552 1 6 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.003 -0.076 18715 3553 1 6 . 1 1 98 98 LYS H H 98 7.868 7.868 8.360 -0.492 18715 3554 1 6 . 1 1 99 99 GLU N N 99 119.228 119.228 118.391 0.837 18715 3555 1 6 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.070 0.007 18715 3556 1 6 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.300 0.495 18715 3557 1 6 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.451 0.795 18715 3558 1 6 . 1 1 99 99 GLU H H 99 8.384 8.384 8.573 -0.189 18715 3559 1 6 . 1 1 100 100 ALA N N 100 118.915 118.915 122.315 -3.400 18715 3560 1 6 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.179 0.207 18715 3561 1 6 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.713 0.683 18715 3562 1 6 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.702 1.057 18715 3563 1 6 . 1 1 100 100 ALA H H 100 7.382 7.382 7.442 -0.060 18715 3564 1 6 . 1 1 101 101 LEU N N 101 117.978 117.978 120.149 -2.171 18715 3565 1 6 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.995 0.025 18715 3566 1 6 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.980 -0.005 18715 3567 1 6 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.859 0.634 18715 3568 1 6 . 1 1 101 101 LEU H H 101 8.119 8.119 8.000 0.120 18715 3569 1 6 . 1 1 102 102 ASP N N 102 120.478 120.478 118.717 1.761 18715 3570 1 6 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.353 0.014 18715 3571 1 6 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.788 -0.436 18715 3572 1 6 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.797 -1.075 18715 3573 1 6 . 1 1 102 102 ASP H H 102 8.679 8.679 8.300 0.379 18715 3574 1 6 . 1 1 103 103 LYS N N 103 120.165 120.165 118.583 1.582 18715 3575 1 6 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.134 0.030 18715 3576 1 6 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.071 -0.707 18715 3577 1 6 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.297 -0.766 18715 3578 1 6 . 1 1 103 103 LYS H H 103 8.207 8.207 7.338 0.869 18715 3579 1 6 . 1 1 104 104 ILE N N 104 119.852 119.852 120.318 -0.466 18715 3580 1 6 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.817 -0.007 18715 3581 1 6 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.604 -0.996 18715 3582 1 6 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.919 -0.485 18715 3583 1 6 . 1 1 104 104 ILE H H 104 8.163 8.163 7.695 0.468 18715 3584 1 6 . 1 1 105 105 GLU N N 105 121.415 121.415 120.078 1.337 18715 3585 1 6 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.916 0.119 18715 3586 1 6 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.916 -0.282 18715 3587 1 6 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.742 3.014 18715 3588 1 6 . 1 1 105 105 GLU H H 105 8.001 8.001 8.662 -0.661 18715 3589 1 6 . 1 1 106 106 GLU N N 106 119.228 119.228 119.710 -0.482 18715 3590 1 6 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.031 0.059 18715 3591 1 6 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.649 -0.382 18715 3592 1 6 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.635 -0.038 18715 3593 1 6 . 1 1 106 106 GLU H H 106 8.031 8.031 7.989 0.042 18715 3594 1 6 . 1 1 107 107 GLU N N 107 118.915 118.915 119.178 -0.263 18715 3595 1 6 . 1 1 107 107 GLU HA H 107 4.073 4.073 3.966 0.107 18715 3596 1 6 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.563 -0.222 18715 3597 1 6 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.591 0.279 18715 3598 1 6 . 1 1 107 107 GLU H H 107 8.016 8.016 7.926 0.090 18715 3599 1 6 . 1 1 108 108 GLN N N 108 118.290 118.290 118.062 0.228 18715 3600 1 6 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.121 0.026 18715 3601 1 6 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.169 0.238 18715 3602 1 6 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.487 0.358 18715 3603 1 6 . 1 1 108 108 GLN H H 108 8.252 8.252 7.673 0.579 18715 3604 1 6 . 1 1 109 109 ASN N N 109 118.290 118.290 119.252 -0.962 18715 3605 1 6 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.402 0.215 18715 3606 1 6 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.278 -1.396 18715 3607 1 6 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.371 0.154 18715 3608 1 6 . 1 1 109 109 ASN H H 109 8.252 8.252 8.143 0.109 18715 3609 1 6 . 1 1 110 110 LYS N N 110 120.478 120.478 119.807 0.671 18715 3610 1 6 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.981 0.249 18715 3611 1 6 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.661 -1.350 18715 3612 1 6 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.396 0.295 18715 3613 1 6 . 1 1 110 110 LYS H H 110 8.031 8.031 7.856 0.175 18715 3614 1 6 . 1 1 111 111 SER N N 111 114.540 114.540 114.599 -0.059 18715 3615 1 6 . 1 1 111 111 SER HA H 111 4.368 4.368 4.151 0.217 18715 3616 1 6 . 1 1 111 111 SER CA C 111 59.764 59.764 61.674 -1.910 18715 3617 1 6 . 1 1 111 111 SER CB C 111 63.442 63.442 62.939 0.503 18715 3618 1 6 . 1 1 111 111 SER H H 111 8.031 8.031 7.752 0.279 18715 3619 1 6 . 1 1 112 112 LYS N N 112 122.040 122.040 120.233 1.807 18715 3620 1 6 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.036 0.209 18715 3621 1 6 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.102 -1.773 18715 3622 1 6 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.358 0.417 18715 3623 1 6 . 1 1 112 112 LYS H H 112 7.957 7.957 7.452 0.505 18715 3624 1 6 . 1 1 113 113 LYS N N 113 120.790 120.790 115.767 5.023 18715 3625 1 6 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.113 0.037 18715 3626 1 6 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.741 0.393 18715 3627 1 6 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.523 0.243 18715 3628 1 6 . 1 1 113 113 LYS H H 113 8.016 8.016 7.575 0.441 18715 3629 1 6 . 1 1 114 114 LYS N N 114 121.728 121.728 117.306 4.422 18715 3630 1 6 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.310 -0.047 18715 3631 1 6 . 1 1 114 114 LYS CA C 114 57.185 57.185 57.438 -0.253 18715 3632 1 6 . 1 1 114 114 LYS CB C 114 32.857 32.857 33.527 -0.670 18715 3633 1 6 . 1 1 114 114 LYS H H 114 8.119 8.119 7.441 0.678 18715 3634 1 6 . 1 1 115 115 ALA N N 115 124.228 124.228 121.192 3.036 18715 3635 1 6 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.722 -0.454 18715 3636 1 6 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.366 1.669 18715 3637 1 6 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.403 0.635 18715 3638 1 6 . 1 1 115 115 ALA H H 115 8.178 8.178 7.688 0.490 18715 3639 1 6 . 1 1 116 116 GLN N N 116 119.228 119.228 118.586 0.642 18715 3640 1 6 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.049 0.199 18715 3641 1 6 . 1 1 116 116 GLN CA C 116 56.549 56.549 58.618 -2.069 18715 3642 1 6 . 1 1 116 116 GLN H H 116 8.237 8.237 8.470 -0.233 18715 3643 1 6 . 1 1 117 117 GLN N N 117 120.478 120.478 118.458 2.020 18715 3644 1 6 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.096 0.173 18715 3645 1 6 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.175 -1.851 18715 3646 1 6 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.983 1.623 18715 3647 1 6 . 1 1 117 117 GLN H H 117 8.266 8.266 8.466 -0.200 18715 3648 1 6 . 1 1 118 118 ALA N N 118 124.852 124.852 122.032 2.820 18715 3649 1 6 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.155 0.121 18715 3650 1 6 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.512 -0.675 18715 3651 1 6 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.197 0.865 18715 3652 1 6 . 1 1 118 118 ALA H H 118 8.266 8.266 8.307 -0.041 18715 3653 1 6 . 1 1 119 119 ALA N N 119 122.978 122.978 121.031 1.947 18715 3654 1 6 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.427 -0.133 18715 3655 1 6 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.796 0.841 18715 3656 1 6 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.496 1.705 18715 3657 1 6 . 1 1 119 119 ALA H H 119 8.163 8.163 7.655 0.508 18715 3658 1 6 . 1 1 120 120 ALA N N 120 122.665 122.665 122.584 0.081 18715 3659 1 6 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.343 -0.066 18715 3660 1 6 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.145 0.591 18715 3661 1 6 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.890 -0.723 18715 3662 1 6 . 1 1 120 120 ALA H H 120 8.163 8.163 7.129 1.034 18715 3663 1 6 . 1 1 121 121 ASP N N 121 119.228 119.228 117.528 1.700 18715 3664 1 6 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.392 0.290 18715 3665 1 6 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.089 -0.825 18715 3666 1 6 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.658 0.470 18715 3667 1 6 . 1 1 121 121 ASP H H 121 8.252 8.252 8.439 -0.187 18715 3668 1 6 . 1 1 122 122 THR N N 122 113.602 113.602 113.300 0.302 18715 3669 1 6 . 1 1 122 122 THR HA H 122 4.358 4.358 4.489 -0.131 18715 3670 1 6 . 1 1 122 122 THR CA C 122 61.971 61.971 61.314 0.657 18715 3671 1 6 . 1 1 122 122 THR CB C 122 69.586 69.586 70.598 -1.012 18715 3672 1 6 . 1 1 122 122 THR H H 122 8.075 8.075 7.679 0.396 18715 3673 1 6 . 1 1 123 123 GLY N N 123 110.478 110.478 112.483 -2.005 18715 3674 1 6 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.119 0.484 18715 3675 1 6 . 1 1 123 123 GLY H H 123 8.414 8.414 8.486 -0.072 18715 3676 1 6 . 1 1 124 124 ASN N N 124 118.602 118.602 120.818 -2.216 18715 3677 1 6 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.678 -0.070 18715 3678 1 6 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.706 3.027 18715 3679 1 6 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.497 -1.959 18715 3680 1 6 . 1 1 124 124 ASN H H 124 8.266 8.266 8.361 -0.095 18715 3681 1 6 . 1 1 125 125 ASN N N 125 119.228 119.228 117.713 1.515 18715 3682 1 6 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.893 -0.169 18715 3683 1 6 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.914 0.539 18715 3684 1 6 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.202 -0.389 18715 3685 1 6 . 1 1 125 125 ASN H H 125 8.443 8.443 8.548 -0.105 18715 3686 1 6 . 1 1 126 126 SER N N 126 115.790 115.790 116.604 -0.814 18715 3687 1 6 . 1 1 126 126 SER HA H 126 4.388 4.388 4.729 -0.341 18715 3688 1 6 . 1 1 126 126 SER CA C 126 58.851 58.851 58.557 0.294 18715 3689 1 6 . 1 1 126 126 SER CB C 126 63.926 63.926 63.772 0.154 18715 3690 1 6 . 1 1 126 126 SER H H 126 8.266 8.266 8.304 -0.038 18715 3691 1 6 . 1 1 127 127 GLN N N 127 121.728 121.728 119.838 1.890 18715 3692 1 6 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.616 -0.293 18715 3693 1 6 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.241 0.982 18715 3694 1 6 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.997 -1.829 18715 3695 1 6 . 1 1 127 127 GLN H H 127 8.355 8.355 8.394 -0.039 18715 3696 1 6 . 1 1 128 128 VAL N N 128 119.852 119.852 121.505 -1.653 18715 3697 1 6 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.488 -0.379 18715 3698 1 6 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.617 1.048 18715 3699 1 6 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.877 -0.108 18715 3700 1 6 . 1 1 128 128 VAL H H 128 7.986 7.986 8.467 -0.481 18715 3701 1 6 . 1 1 129 129 SER N N 129 117.978 117.978 122.294 -4.316 18715 3702 1 6 . 1 1 129 129 SER HA H 129 4.136 4.136 4.440 -0.304 18715 3703 1 6 . 1 1 129 129 SER CA C 129 58.404 58.404 58.795 -0.391 18715 3704 1 6 . 1 1 129 129 SER CB C 129 63.755 63.755 63.866 -0.111 18715 3705 1 6 . 1 1 129 129 SER H H 129 8.252 8.252 8.342 -0.090 18715 3706 1 6 . 1 1 130 130 GLN N N 130 121.728 121.728 120.833 0.895 18715 3707 1 6 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.434 -0.079 18715 3708 1 6 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.779 0.371 18715 3709 1 6 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.563 -0.190 18715 3710 1 6 . 1 1 130 130 GLN H H 130 8.355 8.355 8.446 -0.091 18715 3711 1 6 . 1 1 131 131 ASN N N 131 118.290 118.290 119.068 -0.778 18715 3712 1 6 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.911 -0.279 18715 3713 1 6 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.819 0.749 18715 3714 1 6 . 1 1 131 131 ASN H H 131 8.252 8.252 8.754 -0.502 18715 3715 1 7 . 1 1 3 3 ALA N N 3 123.842 123.842 123.067 0.775 18715 3716 1 7 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.630 -0.302 18715 3717 1 7 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.866 0.671 18715 3718 1 7 . 1 1 3 3 ALA CB C 3 17.251 17.251 20.290 -3.039 18715 3719 1 7 . 1 1 3 3 ALA H H 3 8.183 8.183 8.226 -0.043 18715 3720 1 7 . 1 1 4 4 ARG N N 4 120.165 120.165 123.432 -3.267 18715 3721 1 7 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.424 -0.168 18715 3722 1 7 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.701 -0.736 18715 3723 1 7 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.140 0.821 18715 3724 1 7 . 1 1 4 4 ARG H H 4 8.429 8.429 8.748 -0.319 18715 3725 1 7 . 1 1 5 5 ALA N N 5 125.165 125.165 123.343 1.822 18715 3726 1 7 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.232 0.050 18715 3727 1 7 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.606 -0.235 18715 3728 1 7 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.839 0.833 18715 3729 1 7 . 1 1 5 5 ALA H H 5 8.370 8.370 8.274 0.096 18715 3730 1 7 . 1 1 6 6 SER N N 6 114.540 114.540 113.555 0.985 18715 3731 1 7 . 1 1 6 6 SER HA H 6 4.479 4.479 4.261 0.218 18715 3732 1 7 . 1 1 6 6 SER CA C 6 57.804 57.804 58.569 -0.764 18715 3733 1 7 . 1 1 6 6 SER CB C 6 64.034 64.034 63.788 0.246 18715 3734 1 7 . 1 1 6 6 SER H H 6 8.134 8.134 8.466 -0.332 18715 3735 1 7 . 1 1 7 7 VAL N N 7 121.415 121.415 119.793 1.622 18715 3736 1 7 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.024 -0.407 18715 3737 1 7 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.704 2.007 18715 3738 1 7 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.306 -0.370 18715 3739 1 7 . 1 1 7 7 VAL H H 7 8.119 8.119 8.081 0.038 18715 3740 1 7 . 1 1 8 8 LEU N N 8 115.478 115.478 118.128 -2.650 18715 3741 1 7 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.856 0.076 18715 3742 1 7 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.149 -0.642 18715 3743 1 7 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.358 0.945 18715 3744 1 7 . 1 1 8 8 LEU H H 8 7.382 7.382 7.792 -0.410 18715 3745 1 7 . 1 1 9 9 SER N N 9 118.290 118.290 119.824 -1.534 18715 3746 1 7 . 1 1 9 9 SER HA H 9 4.606 4.606 4.390 0.216 18715 3747 1 7 . 1 1 9 9 SER CA C 9 57.197 57.197 57.728 -0.531 18715 3748 1 7 . 1 1 9 9 SER CB C 9 65.426 65.426 64.453 0.973 18715 3749 1 7 . 1 1 9 9 SER H H 9 9.166 9.166 8.880 0.286 18715 3750 1 7 . 1 1 10 10 GLY N N 10 109.228 109.228 108.610 0.618 18715 3751 1 7 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.100 0.574 18715 3752 1 7 . 1 1 10 10 GLY H H 10 8.959 8.959 8.688 0.271 18715 3753 1 7 . 1 1 11 11 GLY N N 11 111.102 111.102 109.991 1.111 18715 3754 1 7 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.493 0.168 18715 3755 1 7 . 1 1 11 11 GLY H H 11 8.782 8.782 7.812 0.970 18715 3756 1 7 . 1 1 12 12 GLU N N 12 120.165 120.165 122.266 -2.101 18715 3757 1 7 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.970 -0.020 18715 3758 1 7 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.942 0.154 18715 3759 1 7 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.478 1.812 18715 3760 1 7 . 1 1 12 12 GLU H H 12 7.751 7.751 7.504 0.247 18715 3761 1 7 . 1 1 13 13 LEU N N 13 121.415 121.415 119.988 1.427 18715 3762 1 7 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.034 0.074 18715 3763 1 7 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.238 -0.176 18715 3764 1 7 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.987 -1.052 18715 3765 1 7 . 1 1 13 13 LEU H H 13 8.340 8.340 8.588 -0.248 18715 3766 1 7 . 1 1 14 14 ASP N N 14 116.415 116.415 119.094 -2.679 18715 3767 1 7 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.372 0.021 18715 3768 1 7 . 1 1 14 14 ASP CA C 14 57.136 57.136 58.018 -0.882 18715 3769 1 7 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.619 0.467 18715 3770 1 7 . 1 1 14 14 ASP H H 14 7.574 7.574 7.627 -0.053 18715 3771 1 7 . 1 1 15 15 LYS N N 15 115.478 115.478 120.214 -4.736 18715 3772 1 7 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.020 0.026 18715 3773 1 7 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.605 -1.203 18715 3774 1 7 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.512 -0.153 18715 3775 1 7 . 1 1 15 15 LYS H H 15 7.117 7.117 7.403 -0.286 18715 3776 1 7 . 1 1 16 16 TRP N N 16 121.693 121.693 121.270 0.423 18715 3777 1 7 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.161 -0.136 18715 3778 1 7 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.597 -0.311 18715 3779 1 7 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.506 1.607 18715 3780 1 7 . 1 1 16 16 TRP H H 16 8.646 8.646 8.546 0.100 18715 3781 1 7 . 1 1 17 17 GLU N N 17 127.710 127.710 116.196 11.514 18715 3782 1 7 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.377 0.314 18715 3783 1 7 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.751 -1.982 18715 3784 1 7 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.530 0.214 18715 3785 1 7 . 1 1 17 17 GLU H H 17 7.571 7.571 7.995 -0.424 18715 3786 1 7 . 1 1 18 18 LYS N N 18 115.790 115.790 118.603 -2.813 18715 3787 1 7 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.174 0.323 18715 3788 1 7 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.542 -1.973 18715 3789 1 7 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.117 0.822 18715 3790 1 7 . 1 1 18 18 LYS H H 18 7.456 7.456 7.394 0.062 18715 3791 1 7 . 1 1 19 19 ILE N N 19 124.228 124.228 120.808 3.420 18715 3792 1 7 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.916 -0.359 18715 3793 1 7 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.236 -0.116 18715 3794 1 7 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.600 0.582 18715 3795 1 7 . 1 1 19 19 ILE H H 19 7.633 7.633 7.986 -0.353 18715 3796 1 7 . 1 1 20 20 ARG N N 20 125.790 125.790 124.420 1.370 18715 3797 1 7 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.574 -0.146 18715 3798 1 7 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.703 1.792 18715 3799 1 7 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.820 -0.283 18715 3800 1 7 . 1 1 20 20 ARG H H 20 8.031 8.031 8.430 -0.399 18715 3801 1 7 . 1 1 21 21 LEU N N 21 120.165 120.165 119.498 0.667 18715 3802 1 7 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.770 -0.324 18715 3803 1 7 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.540 1.695 18715 3804 1 7 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.008 -0.473 18715 3805 1 7 . 1 1 21 21 LEU H H 21 7.810 7.810 7.852 -0.042 18715 3806 1 7 . 1 1 22 22 ARG N N 22 119.540 119.540 115.318 4.222 18715 3807 1 7 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.643 0.202 18715 3808 1 7 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.431 -0.587 18715 3809 1 7 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.750 -1.133 18715 3810 1 7 . 1 1 22 22 ARG H H 22 8.974 8.974 7.551 1.423 18715 3811 1 7 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.599 -0.239 18715 3812 1 7 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.273 -0.837 18715 3813 1 7 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.146 -0.581 18715 3814 1 7 . 1 1 24 24 GLY N N 24 112.665 112.665 108.682 3.983 18715 3815 1 7 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.389 1.416 18715 3816 1 7 . 1 1 24 24 GLY H H 24 9.138 9.138 8.108 1.030 18715 3817 1 7 . 1 1 25 25 GLY N N 25 107.978 107.978 107.208 0.770 18715 3818 1 7 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.804 -0.232 18715 3819 1 7 . 1 1 25 25 GLY H H 25 8.134 8.134 7.292 0.842 18715 3820 1 7 . 1 1 26 26 LYS N N 26 117.665 117.665 119.561 -1.896 18715 3821 1 7 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.527 -0.263 18715 3822 1 7 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.037 0.816 18715 3823 1 7 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.962 1.094 18715 3824 1 7 . 1 1 26 26 LYS H H 26 8.665 8.665 8.443 0.222 18715 3825 1 7 . 1 1 27 27 LYS N N 27 117.925 117.925 119.537 -1.612 18715 3826 1 7 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.561 -0.250 18715 3827 1 7 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.229 1.982 18715 3828 1 7 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.385 -0.506 18715 3829 1 7 . 1 1 27 27 LYS H H 27 7.817 7.817 7.849 -0.032 18715 3830 1 7 . 1 1 28 28 GLN N N 28 122.978 122.978 119.455 3.523 18715 3831 1 7 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.535 0.281 18715 3832 1 7 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.768 -0.295 18715 3833 1 7 . 1 1 28 28 GLN CB C 28 34.054 34.054 31.365 2.689 18715 3834 1 7 . 1 1 28 28 GLN H H 28 8.458 8.458 8.303 0.155 18715 3835 1 7 . 1 1 29 29 TYR N N 29 119.540 119.540 119.100 0.440 18715 3836 1 7 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.538 -0.806 18715 3837 1 7 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.708 1.302 18715 3838 1 7 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.439 -2.223 18715 3839 1 7 . 1 1 29 29 TYR H H 29 7.824 7.824 8.352 -0.528 18715 3840 1 7 . 1 1 30 30 LYS N N 30 117.978 117.978 120.530 -2.552 18715 3841 1 7 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.884 0.332 18715 3842 1 7 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.402 -0.337 18715 3843 1 7 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.270 2.318 18715 3844 1 7 . 1 1 30 30 LYS H H 30 10.610 10.610 9.050 1.560 18715 3845 1 7 . 1 1 31 31 LEU N N 31 128.602 128.602 124.394 4.208 18715 3846 1 7 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.003 0.178 18715 3847 1 7 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.803 0.431 18715 3848 1 7 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.860 -0.858 18715 3849 1 7 . 1 1 31 31 LEU H H 31 9.991 9.991 9.040 0.951 18715 3850 1 7 . 1 1 32 32 LYS N N 32 115.165 115.165 118.871 -3.706 18715 3851 1 7 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.946 0.199 18715 3852 1 7 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.531 -0.434 18715 3853 1 7 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.933 -0.374 18715 3854 1 7 . 1 1 32 32 LYS H H 32 8.399 8.399 8.545 -0.146 18715 3855 1 7 . 1 1 33 33 HIS N N 33 119.540 119.540 117.150 2.390 18715 3856 1 7 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.679 -0.075 18715 3857 1 7 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.386 3.505 18715 3858 1 7 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.532 2.252 18715 3859 1 7 . 1 1 33 33 HIS H H 33 8.193 8.193 8.044 0.149 18715 3860 1 7 . 1 1 34 34 ILE N N 34 119.540 119.540 120.800 -1.260 18715 3861 1 7 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.838 -0.044 18715 3862 1 7 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.766 -0.919 18715 3863 1 7 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.693 -0.714 18715 3864 1 7 . 1 1 34 34 ILE H H 34 7.898 7.898 7.537 0.361 18715 3865 1 7 . 1 1 35 35 VAL N N 35 122.040 122.040 119.136 2.904 18715 3866 1 7 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.722 -0.110 18715 3867 1 7 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.748 -0.002 18715 3868 1 7 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.729 0.413 18715 3869 1 7 . 1 1 35 35 VAL H H 35 7.706 7.706 8.460 -0.754 18715 3870 1 7 . 1 1 36 36 TRP N N 36 119.986 119.986 122.223 -2.237 18715 3871 1 7 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.216 0.017 18715 3872 1 7 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.895 0.215 18715 3873 1 7 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.529 -1.117 18715 3874 1 7 . 1 1 36 36 TRP H H 36 8.452 8.452 7.788 0.664 18715 3875 1 7 . 1 1 37 37 ALA N N 37 120.478 120.478 119.514 0.964 18715 3876 1 7 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.549 -0.159 18715 3877 1 7 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.920 0.193 18715 3878 1 7 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.070 -0.640 18715 3879 1 7 . 1 1 37 37 ALA H H 37 8.311 8.311 8.303 0.008 18715 3880 1 7 . 1 1 38 38 SER N N 38 111.415 111.415 114.542 -3.127 18715 3881 1 7 . 1 1 38 38 SER HA H 38 3.906 3.906 4.104 -0.198 18715 3882 1 7 . 1 1 38 38 SER CA C 38 62.801 62.801 62.230 0.571 18715 3883 1 7 . 1 1 38 38 SER CB C 38 62.829 62.829 63.023 -0.194 18715 3884 1 7 . 1 1 38 38 SER H H 38 8.259 8.259 7.565 0.694 18715 3885 1 7 . 1 1 39 39 ARG N N 39 119.852 119.852 119.794 0.058 18715 3886 1 7 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.092 0.054 18715 3887 1 7 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.288 0.122 18715 3888 1 7 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.900 0.108 18715 3889 1 7 . 1 1 39 39 ARG H H 39 7.559 7.559 7.584 -0.025 18715 3890 1 7 . 1 1 40 40 GLU N N 40 121.102 121.102 119.335 1.767 18715 3891 1 7 . 1 1 40 40 GLU HA H 40 3.787 3.787 4.002 -0.215 18715 3892 1 7 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.848 0.433 18715 3893 1 7 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.351 0.323 18715 3894 1 7 . 1 1 40 40 GLU H H 40 8.222 8.222 7.393 0.829 18715 3895 1 7 . 1 1 41 41 LEU N N 41 117.040 117.040 121.570 -4.530 18715 3896 1 7 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.170 -0.217 18715 3897 1 7 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.013 0.310 18715 3898 1 7 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.989 -1.809 18715 3899 1 7 . 1 1 41 41 LEU H H 41 8.016 8.016 8.020 -0.004 18715 3900 1 7 . 1 1 42 42 GLU N N 42 117.352 117.352 117.886 -0.534 18715 3901 1 7 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.042 0.085 18715 3902 1 7 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.324 0.247 18715 3903 1 7 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.161 0.504 18715 3904 1 7 . 1 1 42 42 GLU H H 42 7.559 7.559 7.661 -0.102 18715 3905 1 7 . 1 1 43 43 ARG N N 43 119.540 119.540 118.908 0.632 18715 3906 1 7 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.045 -0.003 18715 3907 1 7 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.203 0.287 18715 3908 1 7 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.022 -0.357 18715 3909 1 7 . 1 1 43 43 ARG H H 43 7.647 7.647 7.430 0.217 18715 3910 1 7 . 1 1 44 44 PHE N N 44 117.665 117.665 118.837 -1.172 18715 3911 1 7 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.648 -0.034 18715 3912 1 7 . 1 1 44 44 PHE CA C 44 57.358 57.358 57.133 0.225 18715 3913 1 7 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.419 0.747 18715 3914 1 7 . 1 1 44 44 PHE H H 44 7.529 7.529 7.732 -0.203 18715 3915 1 7 . 1 1 45 45 ALA N N 45 118.915 118.915 119.246 -0.331 18715 3916 1 7 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.932 0.083 18715 3917 1 7 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.282 0.132 18715 3918 1 7 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.869 -0.590 18715 3919 1 7 . 1 1 45 45 ALA H H 45 7.928 7.928 7.665 0.263 18715 3920 1 7 . 1 1 46 46 VAL N N 46 119.540 119.540 118.652 0.888 18715 3921 1 7 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.147 -0.052 18715 3922 1 7 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.976 -0.155 18715 3923 1 7 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.401 -0.035 18715 3924 1 7 . 1 1 46 46 VAL H H 46 7.765 7.765 7.639 0.126 18715 3925 1 7 . 1 1 47 47 ASN N N 47 125.790 125.790 127.112 -1.322 18715 3926 1 7 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.724 -0.078 18715 3927 1 7 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.016 -2.019 18715 3928 1 7 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.669 0.417 18715 3929 1 7 . 1 1 47 47 ASN H H 47 8.399 8.399 8.837 -0.438 18715 3930 1 7 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.401 -0.179 18715 3931 1 7 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.581 -0.267 18715 3932 1 7 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.866 -0.126 18715 3933 1 7 . 1 1 49 49 GLY N N 49 108.290 108.290 107.698 0.592 18715 3934 1 7 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.235 0.295 18715 3935 1 7 . 1 1 49 49 GLY H H 49 8.620 8.620 8.618 0.002 18715 3936 1 7 . 1 1 50 50 LEU N N 50 121.728 121.728 121.058 0.670 18715 3937 1 7 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.173 -0.027 18715 3938 1 7 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.005 1.236 18715 3939 1 7 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.841 -0.278 18715 3940 1 7 . 1 1 50 50 LEU H H 50 7.765 7.765 7.486 0.279 18715 3941 1 7 . 1 1 51 51 LEU N N 51 112.040 112.040 117.823 -5.783 18715 3942 1 7 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.157 0.081 18715 3943 1 7 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.013 -0.506 18715 3944 1 7 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.911 0.579 18715 3945 1 7 . 1 1 51 51 LEU H H 51 7.412 7.412 7.606 -0.194 18715 3946 1 7 . 1 1 52 52 GLU N N 52 114.540 114.540 113.753 0.787 18715 3947 1 7 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.369 -0.314 18715 3948 1 7 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.313 3.071 18715 3949 1 7 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.391 1.667 18715 3950 1 7 . 1 1 52 52 GLU H H 52 7.500 7.500 7.655 -0.155 18715 3951 1 7 . 1 1 53 53 THR N N 53 122.978 122.978 111.451 11.527 18715 3952 1 7 . 1 1 53 53 THR HA H 53 4.402 4.402 4.500 -0.098 18715 3953 1 7 . 1 1 53 53 THR CA C 53 58.306 58.306 60.644 -2.338 18715 3954 1 7 . 1 1 53 53 THR CB C 53 73.222 73.222 71.921 1.302 18715 3955 1 7 . 1 1 53 53 THR H H 53 7.235 7.235 7.541 -0.306 18715 3956 1 7 . 1 1 54 54 SER N N 54 119.228 119.228 121.721 -2.493 18715 3957 1 7 . 1 1 54 54 SER HA H 54 4.043 4.043 4.283 -0.240 18715 3958 1 7 . 1 1 54 54 SER CA C 54 62.657 62.657 61.197 1.460 18715 3959 1 7 . 1 1 54 54 SER CB C 54 62.562 62.562 63.064 -0.502 18715 3960 1 7 . 1 1 54 54 SER H H 54 9.313 9.313 8.893 0.420 18715 3961 1 7 . 1 1 55 55 GLU N N 55 121.233 121.233 120.805 0.428 18715 3962 1 7 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.298 -0.229 18715 3963 1 7 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.834 0.841 18715 3964 1 7 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.587 -0.588 18715 3965 1 7 . 1 1 55 55 GLU H H 55 8.975 8.975 8.624 0.351 18715 3966 1 7 . 1 1 56 56 GLY N N 56 110.790 110.790 108.912 1.878 18715 3967 1 7 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.438 0.428 18715 3968 1 7 . 1 1 56 56 GLY H H 56 8.517 8.517 8.302 0.215 18715 3969 1 7 . 1 1 57 57 CYS N N 57 118.602 118.602 120.069 -1.467 18715 3970 1 7 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.133 -0.113 18715 3971 1 7 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.806 1.796 18715 3972 1 7 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.057 20.738 18715 3973 1 7 . 1 1 57 57 CYS H H 57 8.122 8.122 8.121 0.001 18715 3974 1 7 . 1 1 58 58 ARG N N 58 119.540 119.540 118.969 0.571 18715 3975 1 7 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.386 0.164 18715 3976 1 7 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.160 0.547 18715 3977 1 7 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.797 -0.348 18715 3978 1 7 . 1 1 58 58 ARG H H 58 8.488 8.488 7.558 0.930 18715 3979 1 7 . 1 1 59 59 GLN N N 59 119.852 119.852 118.157 1.695 18715 3980 1 7 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.032 0.020 18715 3981 1 7 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.921 0.479 18715 3982 1 7 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.823 -0.589 18715 3983 1 7 . 1 1 59 59 GLN H H 59 8.016 8.016 7.515 0.501 18715 3984 1 7 . 1 1 60 60 ILE N N 60 120.790 120.790 120.238 0.552 18715 3985 1 7 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.669 -0.058 18715 3986 1 7 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.196 0.394 18715 3987 1 7 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.773 0.077 18715 3988 1 7 . 1 1 60 60 ILE H H 60 8.163 8.163 8.330 -0.167 18715 3989 1 7 . 1 1 61 61 LEU N N 61 118.915 118.915 117.997 0.918 18715 3990 1 7 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.255 -0.360 18715 3991 1 7 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.391 1.263 18715 3992 1 7 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.110 -0.334 18715 3993 1 7 . 1 1 61 61 LEU H H 61 8.370 8.370 7.864 0.506 18715 3994 1 7 . 1 1 62 62 GLY N N 62 104.332 104.332 107.536 -3.204 18715 3995 1 7 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.773 0.411 18715 3996 1 7 . 1 1 62 62 GLY H H 62 7.883 7.883 7.603 0.280 18715 3997 1 7 . 1 1 63 63 GLN N N 63 119.852 119.852 119.493 0.359 18715 3998 1 7 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.250 -0.098 18715 3999 1 7 . 1 1 63 63 GLN CA C 63 57.994 57.994 58.191 -0.197 18715 4000 1 7 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.984 0.215 18715 4001 1 7 . 1 1 63 63 GLN H H 63 7.795 7.795 7.596 0.199 18715 4002 1 7 . 1 1 64 64 LEU N N 64 117.040 117.040 119.548 -2.508 18715 4003 1 7 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.052 0.229 18715 4004 1 7 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.799 -0.698 18715 4005 1 7 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.915 2.328 18715 4006 1 7 . 1 1 64 64 LEU H H 64 8.252 8.252 7.460 0.792 18715 4007 1 7 . 1 1 65 65 GLN N N 65 118.915 118.915 119.624 -0.709 18715 4008 1 7 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.791 -0.012 18715 4009 1 7 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.924 0.623 18715 4010 1 7 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.526 -0.662 18715 4011 1 7 . 1 1 65 65 GLN H H 65 8.104 8.104 8.172 -0.068 18715 4012 1 7 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.338 0.045 18715 4013 1 7 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.925 0.992 18715 4014 1 7 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.168 -0.069 18715 4015 1 7 . 1 1 67 67 SER N N 67 111.415 111.415 112.929 -1.514 18715 4016 1 7 . 1 1 67 67 SER HA H 67 4.493 4.493 4.332 0.161 18715 4017 1 7 . 1 1 67 67 SER CA C 67 59.696 59.696 59.816 -0.120 18715 4018 1 7 . 1 1 67 67 SER CB C 67 64.031 64.031 63.254 0.777 18715 4019 1 7 . 1 1 67 67 SER H H 67 7.824 7.824 7.510 0.314 18715 4020 1 7 . 1 1 68 68 LEU N N 68 121.102 121.102 121.842 -0.740 18715 4021 1 7 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.788 0.028 18715 4022 1 7 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.764 0.184 18715 4023 1 7 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.303 0.466 18715 4024 1 7 . 1 1 68 68 LEU H H 68 7.647 7.647 7.923 -0.276 18715 4025 1 7 . 1 1 69 69 GLN N N 69 116.415 116.415 119.127 -2.712 18715 4026 1 7 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.069 0.000 18715 4027 1 7 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.373 0.097 18715 4028 1 7 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.886 -0.458 18715 4029 1 7 . 1 1 69 69 GLN H H 69 8.060 8.060 8.289 -0.229 18715 4030 1 7 . 1 1 70 70 THR N N 70 106.728 106.728 109.630 -2.902 18715 4031 1 7 . 1 1 70 70 THR HA H 70 4.481 4.481 4.617 -0.136 18715 4032 1 7 . 1 1 70 70 THR CA C 70 61.291 61.291 61.165 0.126 18715 4033 1 7 . 1 1 70 70 THR CB C 70 69.415 69.415 69.075 0.340 18715 4034 1 7 . 1 1 70 70 THR H H 70 7.515 7.515 7.694 -0.179 18715 4035 1 7 . 1 1 71 71 GLY N N 71 109.540 109.540 110.842 -1.302 18715 4036 1 7 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.337 1.216 18715 4037 1 7 . 1 1 71 71 GLY H H 71 7.692 7.692 7.485 0.207 18715 4038 1 7 . 1 1 72 72 SER N N 72 114.540 114.540 114.000 0.540 18715 4039 1 7 . 1 1 72 72 SER HA H 72 4.625 4.625 4.867 -0.242 18715 4040 1 7 . 1 1 72 72 SER CA C 72 57.319 57.319 56.669 0.651 18715 4041 1 7 . 1 1 72 72 SER CB C 72 64.599 64.599 65.213 -0.614 18715 4042 1 7 . 1 1 72 72 SER H H 72 8.045 8.045 7.910 0.135 18715 4043 1 7 . 1 1 73 73 GLU N N 73 124.228 124.228 121.169 3.059 18715 4044 1 7 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.006 0.081 18715 4045 1 7 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.110 -0.730 18715 4046 1 7 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.611 -0.309 18715 4047 1 7 . 1 1 73 73 GLU H H 73 9.092 9.092 8.921 0.171 18715 4048 1 7 . 1 1 74 74 GLU N N 74 120.165 120.165 119.162 1.003 18715 4049 1 7 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.349 -0.060 18715 4050 1 7 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.590 0.638 18715 4051 1 7 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.777 -0.315 18715 4052 1 7 . 1 1 74 74 GLU H H 74 8.665 8.665 7.772 0.893 18715 4053 1 7 . 1 1 75 75 LEU N N 75 121.415 121.415 120.512 0.903 18715 4054 1 7 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.024 0.137 18715 4055 1 7 . 1 1 75 75 LEU CA C 75 57.953 57.953 57.876 0.077 18715 4056 1 7 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.042 -0.774 18715 4057 1 7 . 1 1 75 75 LEU H H 75 7.765 7.765 7.701 0.064 18715 4058 1 7 . 1 1 76 76 ARG N N 76 119.228 119.228 119.765 -0.537 18715 4059 1 7 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.021 -0.088 18715 4060 1 7 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.138 -0.456 18715 4061 1 7 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.232 -1.035 18715 4062 1 7 . 1 1 76 76 ARG H H 76 7.868 7.868 8.330 -0.462 18715 4063 1 7 . 1 1 77 77 SER N N 77 114.228 114.228 115.479 -1.251 18715 4064 1 7 . 1 1 77 77 SER HA H 77 4.263 4.263 4.229 0.034 18715 4065 1 7 . 1 1 77 77 SER CA C 77 62.668 62.668 62.251 0.417 18715 4066 1 7 . 1 1 77 77 SER CB C 77 62.849 62.849 62.803 0.045 18715 4067 1 7 . 1 1 77 77 SER H H 77 8.576 8.576 7.854 0.722 18715 4068 1 7 . 1 1 78 78 LEU N N 78 125.790 125.790 124.046 1.744 18715 4069 1 7 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.327 0.094 18715 4070 1 7 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.090 0.872 18715 4071 1 7 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.843 0.201 18715 4072 1 7 . 1 1 78 78 LEU H H 78 8.458 8.458 7.916 0.542 18715 4073 1 7 . 1 1 79 79 TYR N N 79 119.852 119.852 119.544 0.308 18715 4074 1 7 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.053 -0.392 18715 4075 1 7 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.421 1.381 18715 4076 1 7 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.478 0.716 18715 4077 1 7 . 1 1 79 79 TYR H H 79 8.694 8.694 8.408 0.286 18715 4078 1 7 . 1 1 80 80 ASN N N 80 117.040 117.040 117.583 -0.543 18715 4079 1 7 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.542 -0.258 18715 4080 1 7 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.140 -0.353 18715 4081 1 7 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.044 -0.205 18715 4082 1 7 . 1 1 80 80 ASN H H 80 8.871 8.871 8.681 0.190 18715 4083 1 7 . 1 1 81 81 THR N N 81 115.790 115.790 119.211 -3.421 18715 4084 1 7 . 1 1 81 81 THR HA H 81 3.945 3.945 4.319 -0.373 18715 4085 1 7 . 1 1 81 81 THR CA C 81 67.855 67.855 67.175 0.680 18715 4086 1 7 . 1 1 81 81 THR CB C 81 69.140 69.140 69.134 0.006 18715 4087 1 7 . 1 1 81 81 THR H H 81 8.119 8.119 8.136 -0.017 18715 4088 1 7 . 1 1 82 82 ILE N N 82 121.102 121.102 120.877 0.225 18715 4089 1 7 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.743 -0.075 18715 4090 1 7 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.551 -1.031 18715 4091 1 7 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.515 -1.029 18715 4092 1 7 . 1 1 82 82 ILE H H 82 8.090 8.090 8.635 -0.545 18715 4093 1 7 . 1 1 83 83 ALA N N 83 125.165 125.165 122.632 2.533 18715 4094 1 7 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.882 0.009 18715 4095 1 7 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.138 0.717 18715 4096 1 7 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.863 -0.015 18715 4097 1 7 . 1 1 83 83 ALA H H 83 8.782 8.782 7.320 1.462 18715 4098 1 7 . 1 1 84 84 VAL N N 84 117.665 117.665 118.987 -1.322 18715 4099 1 7 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.559 -0.231 18715 4100 1 7 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.276 1.189 18715 4101 1 7 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.417 -0.722 18715 4102 1 7 . 1 1 84 84 VAL H H 84 7.795 7.795 7.398 0.397 18715 4103 1 7 . 1 1 85 85 LEU N N 85 122.040 122.040 120.231 1.809 18715 4104 1 7 . 1 1 85 85 LEU HA H 85 3.815 3.815 4.048 -0.233 18715 4105 1 7 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.623 0.687 18715 4106 1 7 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.532 0.616 18715 4107 1 7 . 1 1 85 85 LEU H H 85 8.163 8.163 7.995 0.168 18715 4108 1 7 . 1 1 86 86 TYR N N 86 118.915 118.915 120.999 -2.084 18715 4109 1 7 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.166 -0.254 18715 4110 1 7 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.365 1.453 18715 4111 1 7 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.937 0.350 18715 4112 1 7 . 1 1 86 86 TYR H H 86 9.062 9.062 7.747 1.315 18715 4113 1 7 . 1 1 87 87 CYS N N 87 116.102 116.102 116.789 -0.687 18715 4114 1 7 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.679 0.115 18715 4115 1 7 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.868 2.098 18715 4116 1 7 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.544 20.014 18715 4117 1 7 . 1 1 87 87 CYS H H 87 7.515 7.515 7.804 -0.289 18715 4118 1 7 . 1 1 88 88 VAL N N 88 119.978 119.978 119.333 0.645 18715 4119 1 7 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.770 0.108 18715 4120 1 7 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.224 0.222 18715 4121 1 7 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.473 0.023 18715 4122 1 7 . 1 1 88 88 VAL H H 88 8.448 8.448 7.364 1.084 18715 4123 1 7 . 1 1 89 89 HIS N N 89 118.915 118.915 116.017 2.898 18715 4124 1 7 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.632 0.243 18715 4125 1 7 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.722 0.398 18715 4126 1 7 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.578 -0.495 18715 4127 1 7 . 1 1 89 89 HIS H H 89 8.797 8.797 7.543 1.254 18715 4128 1 7 . 1 1 90 90 GLN N N 90 116.728 116.728 117.433 -0.705 18715 4129 1 7 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.372 0.013 18715 4130 1 7 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.967 0.322 18715 4131 1 7 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.532 2.420 18715 4132 1 7 . 1 1 90 90 GLN H H 90 7.986 7.986 7.308 0.678 18715 4133 1 7 . 1 1 91 91 ARG N N 91 115.165 115.165 114.983 0.182 18715 4134 1 7 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.874 0.139 18715 4135 1 7 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.331 -0.148 18715 4136 1 7 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.521 -1.472 18715 4137 1 7 . 1 1 91 91 ARG H H 91 7.883 7.883 7.668 0.215 18715 4138 1 7 . 1 1 92 92 ILE N N 92 120.087 120.087 119.749 0.338 18715 4139 1 7 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.105 -0.120 18715 4140 1 7 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.798 -0.142 18715 4141 1 7 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.185 -0.255 18715 4142 1 7 . 1 1 92 92 ILE H H 92 8.335 8.335 7.930 0.405 18715 4143 1 7 . 1 1 93 93 ASP N N 93 129.228 129.228 127.085 2.143 18715 4144 1 7 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.908 -0.423 18715 4145 1 7 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.341 1.702 18715 4146 1 7 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.309 -0.913 18715 4147 1 7 . 1 1 93 93 ASP H H 93 8.620 8.620 8.510 0.110 18715 4148 1 7 . 1 1 94 94 VAL N N 94 115.790 115.790 118.660 -2.870 18715 4149 1 7 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.531 0.102 18715 4150 1 7 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.298 -0.178 18715 4151 1 7 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.058 1.454 18715 4152 1 7 . 1 1 94 94 VAL H H 94 7.751 7.751 8.226 -0.475 18715 4153 1 7 . 1 1 95 95 LYS N N 95 118.915 118.915 120.089 -1.174 18715 4154 1 7 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.361 0.032 18715 4155 1 7 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.946 -1.275 18715 4156 1 7 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.779 0.229 18715 4157 1 7 . 1 1 95 95 LYS H H 95 9.239 9.239 8.785 0.454 18715 4158 1 7 . 1 1 96 96 ASP N N 96 112.040 112.040 112.520 -0.480 18715 4159 1 7 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.244 0.318 18715 4160 1 7 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.380 0.449 18715 4161 1 7 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.508 1.097 18715 4162 1 7 . 1 1 96 96 ASP H H 96 7.412 7.412 7.475 -0.063 18715 4163 1 7 . 1 1 97 97 THR N N 97 109.540 109.540 114.964 -5.424 18715 4164 1 7 . 1 1 97 97 THR HA H 97 3.661 3.661 3.821 -0.160 18715 4165 1 7 . 1 1 97 97 THR CA C 97 65.947 65.947 68.036 -2.089 18715 4166 1 7 . 1 1 97 97 THR CB C 97 70.285 70.285 68.934 1.351 18715 4167 1 7 . 1 1 97 97 THR H H 97 7.250 7.250 8.449 -1.199 18715 4168 1 7 . 1 1 98 98 LYS N N 98 121.102 121.102 121.285 -0.183 18715 4169 1 7 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.993 -0.048 18715 4170 1 7 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.776 -0.148 18715 4171 1 7 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.930 -0.003 18715 4172 1 7 . 1 1 98 98 LYS H H 98 7.868 7.868 8.378 -0.510 18715 4173 1 7 . 1 1 99 99 GLU N N 99 119.228 119.228 118.377 0.851 18715 4174 1 7 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.028 0.049 18715 4175 1 7 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.714 0.081 18715 4176 1 7 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.525 0.721 18715 4177 1 7 . 1 1 99 99 GLU H H 99 8.384 8.384 8.638 -0.254 18715 4178 1 7 . 1 1 100 100 ALA N N 100 118.915 118.915 121.995 -3.080 18715 4179 1 7 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.170 0.216 18715 4180 1 7 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.699 0.697 18715 4181 1 7 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.639 1.120 18715 4182 1 7 . 1 1 100 100 ALA H H 100 7.382 7.382 7.354 0.028 18715 4183 1 7 . 1 1 101 101 LEU N N 101 117.978 117.978 118.613 -0.635 18715 4184 1 7 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.853 0.167 18715 4185 1 7 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.116 -0.141 18715 4186 1 7 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.417 0.076 18715 4187 1 7 . 1 1 101 101 LEU H H 101 8.119 8.119 8.453 -0.334 18715 4188 1 7 . 1 1 102 102 ASP N N 102 120.478 120.478 118.977 1.501 18715 4189 1 7 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.342 0.025 18715 4190 1 7 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.671 -0.319 18715 4191 1 7 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.620 -0.898 18715 4192 1 7 . 1 1 102 102 ASP H H 102 8.679 8.679 8.351 0.328 18715 4193 1 7 . 1 1 103 103 LYS N N 103 120.165 120.165 118.256 1.909 18715 4194 1 7 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.131 0.033 18715 4195 1 7 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.897 -0.533 18715 4196 1 7 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.314 -0.782 18715 4197 1 7 . 1 1 103 103 LYS H H 103 8.207 8.207 7.409 0.798 18715 4198 1 7 . 1 1 104 104 ILE N N 104 119.852 119.852 118.778 1.074 18715 4199 1 7 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.971 -0.161 18715 4200 1 7 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.727 -0.119 18715 4201 1 7 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.163 -0.729 18715 4202 1 7 . 1 1 104 104 ILE H H 104 8.163 8.163 7.647 0.516 18715 4203 1 7 . 1 1 105 105 GLU N N 105 121.415 121.415 121.097 0.318 18715 4204 1 7 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.054 -0.019 18715 4205 1 7 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.892 -0.258 18715 4206 1 7 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.622 3.134 18715 4207 1 7 . 1 1 105 105 GLU H H 105 8.001 8.001 8.181 -0.180 18715 4208 1 7 . 1 1 106 106 GLU N N 106 119.228 119.228 119.388 -0.160 18715 4209 1 7 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.053 0.037 18715 4210 1 7 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.540 -0.273 18715 4211 1 7 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.805 -0.208 18715 4212 1 7 . 1 1 106 106 GLU H H 106 8.031 8.031 7.945 0.086 18715 4213 1 7 . 1 1 107 107 GLU N N 107 118.915 118.915 119.007 -0.092 18715 4214 1 7 . 1 1 107 107 GLU HA H 107 4.073 4.073 3.994 0.079 18715 4215 1 7 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.521 -0.180 18715 4216 1 7 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.542 0.328 18715 4217 1 7 . 1 1 107 107 GLU H H 107 8.016 8.016 7.742 0.274 18715 4218 1 7 . 1 1 108 108 GLN N N 108 118.290 118.290 118.217 0.073 18715 4219 1 7 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.103 0.044 18715 4220 1 7 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.879 -0.472 18715 4221 1 7 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.713 0.132 18715 4222 1 7 . 1 1 108 108 GLN H H 108 8.252 8.252 7.616 0.636 18715 4223 1 7 . 1 1 109 109 ASN N N 109 118.290 118.290 117.968 0.322 18715 4224 1 7 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.448 0.169 18715 4225 1 7 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.798 -0.916 18715 4226 1 7 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.466 0.059 18715 4227 1 7 . 1 1 109 109 ASN H H 109 8.252 8.252 7.958 0.294 18715 4228 1 7 . 1 1 110 110 LYS N N 110 120.478 120.478 119.128 1.350 18715 4229 1 7 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.216 0.014 18715 4230 1 7 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.178 -0.867 18715 4231 1 7 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.403 0.288 18715 4232 1 7 . 1 1 110 110 LYS H H 110 8.031 8.031 7.988 0.043 18715 4233 1 7 . 1 1 111 111 SER N N 111 114.540 114.540 115.276 -0.736 18715 4234 1 7 . 1 1 111 111 SER HA H 111 4.368 4.368 4.271 0.097 18715 4235 1 7 . 1 1 111 111 SER CA C 111 59.764 59.764 61.226 -1.462 18715 4236 1 7 . 1 1 111 111 SER CB C 111 63.442 63.442 62.807 0.635 18715 4237 1 7 . 1 1 111 111 SER H H 111 8.031 8.031 7.919 0.112 18715 4238 1 7 . 1 1 112 112 LYS N N 112 122.040 122.040 120.099 1.941 18715 4239 1 7 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.190 0.055 18715 4240 1 7 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.367 -1.038 18715 4241 1 7 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.479 0.296 18715 4242 1 7 . 1 1 112 112 LYS H H 112 7.957 7.957 7.589 0.368 18715 4243 1 7 . 1 1 113 113 LYS N N 113 120.790 120.790 119.918 0.872 18715 4244 1 7 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.140 0.010 18715 4245 1 7 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.166 -0.032 18715 4246 1 7 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.706 0.059 18715 4247 1 7 . 1 1 113 113 LYS H H 113 8.016 8.016 7.525 0.491 18715 4248 1 7 . 1 1 114 114 LYS N N 114 121.728 121.728 120.162 1.566 18715 4249 1 7 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.063 0.200 18715 4250 1 7 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.886 -1.701 18715 4251 1 7 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.334 0.522 18715 4252 1 7 . 1 1 114 114 LYS H H 114 8.119 8.119 8.115 0.004 18715 4253 1 7 . 1 1 115 115 ALA N N 115 124.228 124.228 120.641 3.587 18715 4254 1 7 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.104 0.164 18715 4255 1 7 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.091 -1.056 18715 4256 1 7 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.660 0.378 18715 4257 1 7 . 1 1 115 115 ALA H H 115 8.178 8.178 8.011 0.167 18715 4258 1 7 . 1 1 116 116 GLN N N 116 119.228 119.228 118.309 0.919 18715 4259 1 7 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.163 0.085 18715 4260 1 7 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.221 0.328 18715 4261 1 7 . 1 1 116 116 GLN H H 116 8.237 8.237 7.792 0.445 18715 4262 1 7 . 1 1 117 117 GLN N N 117 120.478 120.478 116.364 4.114 18715 4263 1 7 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.919 0.350 18715 4264 1 7 . 1 1 117 117 GLN CA C 117 56.324 56.324 56.427 -0.103 18715 4265 1 7 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.936 1.671 18715 4266 1 7 . 1 1 117 117 GLN H H 117 8.266 8.266 8.301 -0.035 18715 4267 1 7 . 1 1 118 118 ALA N N 118 124.852 124.852 118.195 6.657 18715 4268 1 7 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.345 -0.069 18715 4269 1 7 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.979 -0.142 18715 4270 1 7 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.759 0.303 18715 4271 1 7 . 1 1 118 118 ALA H H 118 8.266 8.266 8.300 -0.034 18715 4272 1 7 . 1 1 119 119 ALA N N 119 122.978 122.978 122.152 0.826 18715 4273 1 7 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.565 -0.271 18715 4274 1 7 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.131 0.506 18715 4275 1 7 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.462 0.739 18715 4276 1 7 . 1 1 119 119 ALA H H 119 8.163 8.163 8.310 -0.147 18715 4277 1 7 . 1 1 120 120 ALA N N 120 122.665 122.665 120.656 2.009 18715 4278 1 7 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.429 -0.152 18715 4279 1 7 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.093 0.643 18715 4280 1 7 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.714 0.453 18715 4281 1 7 . 1 1 120 120 ALA H H 120 8.163 8.163 7.693 0.470 18715 4282 1 7 . 1 1 121 121 ASP N N 121 119.228 119.228 119.581 -0.353 18715 4283 1 7 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.690 -0.008 18715 4284 1 7 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.635 0.629 18715 4285 1 7 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.891 0.237 18715 4286 1 7 . 1 1 121 121 ASP H H 121 8.252 8.252 8.286 -0.034 18715 4287 1 7 . 1 1 122 122 THR N N 122 113.602 113.602 112.064 1.538 18715 4288 1 7 . 1 1 122 122 THR HA H 122 4.358 4.358 4.405 -0.047 18715 4289 1 7 . 1 1 122 122 THR CA C 122 61.971 61.971 60.913 1.058 18715 4290 1 7 . 1 1 122 122 THR CB C 122 69.586 69.586 70.350 -0.764 18715 4291 1 7 . 1 1 122 122 THR H H 122 8.075 8.075 7.447 0.628 18715 4292 1 7 . 1 1 123 123 GLY N N 123 110.478 110.478 108.711 1.767 18715 4293 1 7 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.588 0.015 18715 4294 1 7 . 1 1 123 123 GLY H H 123 8.414 8.414 8.529 -0.115 18715 4295 1 7 . 1 1 124 124 ASN N N 124 118.602 118.602 119.115 -0.513 18715 4296 1 7 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.731 -0.123 18715 4297 1 7 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.151 2.582 18715 4298 1 7 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.846 -1.308 18715 4299 1 7 . 1 1 124 124 ASN H H 124 8.266 8.266 8.409 -0.143 18715 4300 1 7 . 1 1 125 125 ASN N N 125 119.228 119.228 119.252 -0.024 18715 4301 1 7 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.938 -0.214 18715 4302 1 7 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.669 0.784 18715 4303 1 7 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.777 -0.964 18715 4304 1 7 . 1 1 125 125 ASN H H 125 8.443 8.443 8.445 -0.002 18715 4305 1 7 . 1 1 126 126 SER N N 126 115.790 115.790 114.207 1.583 18715 4306 1 7 . 1 1 126 126 SER HA H 126 4.388 4.388 4.814 -0.426 18715 4307 1 7 . 1 1 126 126 SER CA C 126 58.851 58.851 57.667 1.184 18715 4308 1 7 . 1 1 126 126 SER CB C 126 63.926 63.926 64.162 -0.236 18715 4309 1 7 . 1 1 126 126 SER H H 126 8.266 8.266 8.359 -0.093 18715 4310 1 7 . 1 1 127 127 GLN N N 127 121.728 121.728 118.897 2.831 18715 4311 1 7 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.566 -0.243 18715 4312 1 7 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.390 0.833 18715 4313 1 7 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.379 -0.211 18715 4314 1 7 . 1 1 127 127 GLN H H 127 8.355 8.355 8.530 -0.175 18715 4315 1 7 . 1 1 128 128 VAL N N 128 119.852 119.852 120.205 -0.353 18715 4316 1 7 . 1 1 128 128 VAL HA H 128 4.109 4.109 3.942 0.167 18715 4317 1 7 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.422 -0.757 18715 4318 1 7 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.335 0.434 18715 4319 1 7 . 1 1 128 128 VAL H H 128 7.986 7.986 8.094 -0.108 18715 4320 1 7 . 1 1 129 129 SER N N 129 117.978 117.978 123.914 -5.936 18715 4321 1 7 . 1 1 129 129 SER HA H 129 4.136 4.136 4.734 -0.598 18715 4322 1 7 . 1 1 129 129 SER CA C 129 58.404 58.404 57.739 0.665 18715 4323 1 7 . 1 1 129 129 SER CB C 129 63.755 63.755 64.219 -0.464 18715 4324 1 7 . 1 1 129 129 SER H H 129 8.252 8.252 8.335 -0.083 18715 4325 1 7 . 1 1 130 130 GLN N N 130 121.728 121.728 124.974 -3.246 18715 4326 1 7 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.336 0.019 18715 4327 1 7 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.737 0.413 18715 4328 1 7 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.108 0.265 18715 4329 1 7 . 1 1 130 130 GLN H H 130 8.355 8.355 8.569 -0.214 18715 4330 1 7 . 1 1 131 131 ASN N N 131 118.290 118.290 121.853 -3.563 18715 4331 1 7 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.715 -0.083 18715 4332 1 7 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.469 0.099 18715 4333 1 7 . 1 1 131 131 ASN H H 131 8.252 8.252 8.736 -0.484 18715 4334 1 8 . 1 1 3 3 ALA N N 3 123.842 123.842 122.117 1.725 18715 4335 1 8 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.062 0.266 18715 4336 1 8 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.492 0.045 18715 4337 1 8 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.655 -1.404 18715 4338 1 8 . 1 1 3 3 ALA H H 3 8.183 8.183 8.294 -0.111 18715 4339 1 8 . 1 1 4 4 ARG N N 4 120.165 120.165 119.358 0.807 18715 4340 1 8 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.291 -0.035 18715 4341 1 8 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.822 0.143 18715 4342 1 8 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.323 0.638 18715 4343 1 8 . 1 1 4 4 ARG H H 4 8.429 8.429 8.157 0.272 18715 4344 1 8 . 1 1 5 5 ALA N N 5 125.165 125.165 130.669 -5.504 18715 4345 1 8 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.526 -0.244 18715 4346 1 8 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.527 0.844 18715 4347 1 8 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.398 1.274 18715 4348 1 8 . 1 1 5 5 ALA H H 5 8.370 8.370 8.680 -0.310 18715 4349 1 8 . 1 1 6 6 SER N N 6 114.540 114.540 117.319 -2.779 18715 4350 1 8 . 1 1 6 6 SER HA H 6 4.479 4.479 4.506 -0.027 18715 4351 1 8 . 1 1 6 6 SER CA C 6 57.804 57.804 57.827 -0.023 18715 4352 1 8 . 1 1 6 6 SER CB C 6 64.034 64.034 65.225 -1.191 18715 4353 1 8 . 1 1 6 6 SER H H 6 8.134 8.134 7.626 0.508 18715 4354 1 8 . 1 1 7 7 VAL N N 7 121.415 121.415 119.373 2.042 18715 4355 1 8 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.955 -0.338 18715 4356 1 8 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.145 1.566 18715 4357 1 8 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.982 -0.046 18715 4358 1 8 . 1 1 7 7 VAL H H 7 8.119 8.119 8.070 0.049 18715 4359 1 8 . 1 1 8 8 LEU N N 8 115.478 115.478 117.533 -2.055 18715 4360 1 8 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.715 0.217 18715 4361 1 8 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.157 -0.650 18715 4362 1 8 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.773 0.531 18715 4363 1 8 . 1 1 8 8 LEU H H 8 7.382 7.382 7.527 -0.145 18715 4364 1 8 . 1 1 9 9 SER N N 9 118.290 118.290 119.186 -0.896 18715 4365 1 8 . 1 1 9 9 SER HA H 9 4.606 4.606 4.553 0.053 18715 4366 1 8 . 1 1 9 9 SER CA C 9 57.197 57.197 57.510 -0.313 18715 4367 1 8 . 1 1 9 9 SER CB C 9 65.426 65.426 65.517 -0.091 18715 4368 1 8 . 1 1 9 9 SER H H 9 9.166 9.166 8.924 0.242 18715 4369 1 8 . 1 1 10 10 GLY N N 10 109.228 109.228 108.525 0.703 18715 4370 1 8 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.986 0.688 18715 4371 1 8 . 1 1 10 10 GLY H H 10 8.959 8.959 8.687 0.272 18715 4372 1 8 . 1 1 11 11 GLY N N 11 111.102 111.102 109.773 1.329 18715 4373 1 8 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.432 0.229 18715 4374 1 8 . 1 1 11 11 GLY H H 11 8.782 8.782 7.784 0.998 18715 4375 1 8 . 1 1 12 12 GLU N N 12 120.165 120.165 122.292 -2.127 18715 4376 1 8 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.041 -0.091 18715 4377 1 8 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.570 0.526 18715 4378 1 8 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.450 1.840 18715 4379 1 8 . 1 1 12 12 GLU H H 12 7.751 7.751 7.588 0.163 18715 4380 1 8 . 1 1 13 13 LEU N N 13 121.415 121.415 121.885 -0.470 18715 4381 1 8 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.066 0.041 18715 4382 1 8 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.414 -0.352 18715 4383 1 8 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.889 -0.953 18715 4384 1 8 . 1 1 13 13 LEU H H 13 8.340 8.340 8.291 0.049 18715 4385 1 8 . 1 1 14 14 ASP N N 14 116.415 116.415 119.650 -3.235 18715 4386 1 8 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.361 0.032 18715 4387 1 8 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.867 -0.730 18715 4388 1 8 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.354 0.732 18715 4389 1 8 . 1 1 14 14 ASP H H 14 7.574 7.574 7.891 -0.317 18715 4390 1 8 . 1 1 15 15 LYS N N 15 115.478 115.478 120.064 -4.586 18715 4391 1 8 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.114 -0.068 18715 4392 1 8 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.221 -0.819 18715 4393 1 8 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.183 0.176 18715 4394 1 8 . 1 1 15 15 LYS H H 15 7.117 7.117 7.557 -0.440 18715 4395 1 8 . 1 1 16 16 TRP N N 16 121.693 121.693 121.179 0.514 18715 4396 1 8 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.149 -0.124 18715 4397 1 8 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.549 -0.263 18715 4398 1 8 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.595 1.518 18715 4399 1 8 . 1 1 16 16 TRP H H 16 8.646 8.646 8.186 0.460 18715 4400 1 8 . 1 1 17 17 GLU N N 17 127.710 127.710 116.488 11.222 18715 4401 1 8 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.349 0.342 18715 4402 1 8 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.819 -2.050 18715 4403 1 8 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.538 0.207 18715 4404 1 8 . 1 1 17 17 GLU H H 17 7.571 7.571 8.312 -0.741 18715 4405 1 8 . 1 1 18 18 LYS N N 18 115.790 115.790 118.274 -2.484 18715 4406 1 8 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.169 0.328 18715 4407 1 8 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.667 -2.098 18715 4408 1 8 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.269 0.670 18715 4409 1 8 . 1 1 18 18 LYS H H 18 7.456 7.456 7.314 0.142 18715 4410 1 8 . 1 1 19 19 ILE N N 19 124.228 124.228 120.117 4.111 18715 4411 1 8 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.805 -0.248 18715 4412 1 8 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.093 0.027 18715 4413 1 8 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.819 0.363 18715 4414 1 8 . 1 1 19 19 ILE H H 19 7.633 7.633 8.092 -0.459 18715 4415 1 8 . 1 1 20 20 ARG N N 20 125.790 125.790 124.891 0.899 18715 4416 1 8 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.332 0.096 18715 4417 1 8 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.296 1.199 18715 4418 1 8 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.369 0.168 18715 4419 1 8 . 1 1 20 20 ARG H H 20 8.031 8.031 7.691 0.340 18715 4420 1 8 . 1 1 21 21 LEU N N 21 120.165 120.165 119.751 0.414 18715 4421 1 8 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.637 -0.191 18715 4422 1 8 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.763 1.472 18715 4423 1 8 . 1 1 21 21 LEU CB C 21 41.535 41.535 41.884 -0.349 18715 4424 1 8 . 1 1 21 21 LEU H H 21 7.810 7.810 7.898 -0.088 18715 4425 1 8 . 1 1 22 22 ARG N N 22 119.540 119.540 115.538 4.002 18715 4426 1 8 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.559 0.286 18715 4427 1 8 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.809 -0.965 18715 4428 1 8 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.743 -1.127 18715 4429 1 8 . 1 1 22 22 ARG H H 22 8.974 8.974 7.570 1.404 18715 4430 1 8 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.438 -0.078 18715 4431 1 8 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.197 -0.761 18715 4432 1 8 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.340 -0.775 18715 4433 1 8 . 1 1 24 24 GLY N N 24 112.665 112.665 106.153 6.512 18715 4434 1 8 . 1 1 24 24 GLY CA C 24 45.805 45.805 45.474 0.331 18715 4435 1 8 . 1 1 24 24 GLY H H 24 9.138 9.138 8.322 0.816 18715 4436 1 8 . 1 1 25 25 GLY N N 25 107.978 107.978 107.624 0.354 18715 4437 1 8 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.386 0.186 18715 4438 1 8 . 1 1 25 25 GLY H H 25 8.134 8.134 7.520 0.614 18715 4439 1 8 . 1 1 26 26 LYS N N 26 117.665 117.665 118.701 -1.036 18715 4440 1 8 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.350 -0.086 18715 4441 1 8 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.199 0.654 18715 4442 1 8 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.681 0.375 18715 4443 1 8 . 1 1 26 26 LYS H H 26 8.665 8.665 8.182 0.483 18715 4444 1 8 . 1 1 27 27 LYS N N 27 117.925 117.925 121.792 -3.867 18715 4445 1 8 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.078 0.233 18715 4446 1 8 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.939 0.272 18715 4447 1 8 . 1 1 27 27 LYS CB C 27 33.878 33.878 32.264 1.614 18715 4448 1 8 . 1 1 27 27 LYS H H 27 7.817 7.817 7.836 -0.019 18715 4449 1 8 . 1 1 28 28 GLN N N 28 122.978 122.978 121.784 1.194 18715 4450 1 8 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.222 0.594 18715 4451 1 8 . 1 1 28 28 GLN CA C 28 54.473 54.473 56.059 -1.586 18715 4452 1 8 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.938 4.117 18715 4453 1 8 . 1 1 28 28 GLN H H 28 8.458 8.458 8.353 0.105 18715 4454 1 8 . 1 1 29 29 TYR N N 29 119.540 119.540 120.392 -0.852 18715 4455 1 8 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.403 -0.671 18715 4456 1 8 . 1 1 29 29 TYR CA C 29 61.010 61.010 60.107 0.903 18715 4457 1 8 . 1 1 29 29 TYR CB C 29 37.216 37.216 38.933 -1.717 18715 4458 1 8 . 1 1 29 29 TYR H H 29 7.824 7.824 8.427 -0.603 18715 4459 1 8 . 1 1 30 30 LYS N N 30 117.978 117.978 120.075 -2.097 18715 4460 1 8 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.857 0.359 18715 4461 1 8 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.966 -0.901 18715 4462 1 8 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.147 2.441 18715 4463 1 8 . 1 1 30 30 LYS H H 30 10.610 10.610 9.184 1.426 18715 4464 1 8 . 1 1 31 31 LEU N N 31 128.602 128.602 123.813 4.789 18715 4465 1 8 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.145 0.036 18715 4466 1 8 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.446 0.788 18715 4467 1 8 . 1 1 31 31 LEU CB C 31 41.002 41.002 42.115 -1.113 18715 4468 1 8 . 1 1 31 31 LEU H H 31 9.991 9.991 8.963 1.028 18715 4469 1 8 . 1 1 32 32 LYS N N 32 115.165 115.165 118.524 -3.359 18715 4470 1 8 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.916 0.229 18715 4471 1 8 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.533 -0.436 18715 4472 1 8 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.877 -0.318 18715 4473 1 8 . 1 1 32 32 LYS H H 32 8.399 8.399 8.617 -0.218 18715 4474 1 8 . 1 1 33 33 HIS N N 33 119.540 119.540 117.019 2.521 18715 4475 1 8 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.690 -0.086 18715 4476 1 8 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.731 3.160 18715 4477 1 8 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.408 2.376 18715 4478 1 8 . 1 1 33 33 HIS H H 33 8.193 8.193 7.887 0.306 18715 4479 1 8 . 1 1 34 34 ILE N N 34 119.540 119.540 120.545 -1.005 18715 4480 1 8 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.914 -0.120 18715 4481 1 8 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.653 -0.805 18715 4482 1 8 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.671 -0.692 18715 4483 1 8 . 1 1 34 34 ILE H H 34 7.898 7.898 7.513 0.385 18715 4484 1 8 . 1 1 35 35 VAL N N 35 122.040 122.040 119.250 2.790 18715 4485 1 8 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.866 -0.254 18715 4486 1 8 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.470 1.276 18715 4487 1 8 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.243 0.899 18715 4488 1 8 . 1 1 35 35 VAL H H 35 7.706 7.706 8.580 -0.874 18715 4489 1 8 . 1 1 36 36 TRP N N 36 119.986 119.986 122.756 -2.770 18715 4490 1 8 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.201 0.032 18715 4491 1 8 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.045 0.065 18715 4492 1 8 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.281 -0.869 18715 4493 1 8 . 1 1 36 36 TRP H H 36 8.452 8.452 8.077 0.375 18715 4494 1 8 . 1 1 37 37 ALA N N 37 120.478 120.478 119.235 1.243 18715 4495 1 8 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.685 -0.295 18715 4496 1 8 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.836 0.278 18715 4497 1 8 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.393 -0.963 18715 4498 1 8 . 1 1 37 37 ALA H H 37 8.311 8.311 8.086 0.225 18715 4499 1 8 . 1 1 38 38 SER N N 38 111.415 111.415 114.227 -2.812 18715 4500 1 8 . 1 1 38 38 SER HA H 38 3.906 3.906 4.090 -0.184 18715 4501 1 8 . 1 1 38 38 SER CA C 38 62.801 62.801 61.060 1.741 18715 4502 1 8 . 1 1 38 38 SER CB C 38 62.829 62.829 62.956 -0.127 18715 4503 1 8 . 1 1 38 38 SER H H 38 8.259 8.259 7.410 0.849 18715 4504 1 8 . 1 1 39 39 ARG N N 39 119.852 119.852 120.241 -0.389 18715 4505 1 8 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.098 0.048 18715 4506 1 8 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.596 -0.186 18715 4507 1 8 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.238 -0.231 18715 4508 1 8 . 1 1 39 39 ARG H H 39 7.559 7.559 7.817 -0.258 18715 4509 1 8 . 1 1 40 40 GLU N N 40 121.102 121.102 119.366 1.736 18715 4510 1 8 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.914 -0.127 18715 4511 1 8 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.094 0.187 18715 4512 1 8 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.117 0.557 18715 4513 1 8 . 1 1 40 40 GLU H H 40 8.222 8.222 7.344 0.878 18715 4514 1 8 . 1 1 41 41 LEU N N 41 117.040 117.040 120.774 -3.734 18715 4515 1 8 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.158 -0.205 18715 4516 1 8 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.914 0.409 18715 4517 1 8 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.047 -1.867 18715 4518 1 8 . 1 1 41 41 LEU H H 41 8.016 8.016 7.860 0.156 18715 4519 1 8 . 1 1 42 42 GLU N N 42 117.352 117.352 118.259 -0.907 18715 4520 1 8 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.998 0.129 18715 4521 1 8 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.162 0.409 18715 4522 1 8 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.281 0.384 18715 4523 1 8 . 1 1 42 42 GLU H H 42 7.559 7.559 7.589 -0.030 18715 4524 1 8 . 1 1 43 43 ARG N N 43 119.540 119.540 118.978 0.562 18715 4525 1 8 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.028 0.014 18715 4526 1 8 . 1 1 43 43 ARG CA C 43 58.490 58.490 57.801 0.689 18715 4527 1 8 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.847 -0.182 18715 4528 1 8 . 1 1 43 43 ARG H H 43 7.647 7.647 7.434 0.213 18715 4529 1 8 . 1 1 44 44 PHE N N 44 117.665 117.665 118.691 -1.026 18715 4530 1 8 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.656 -0.042 18715 4531 1 8 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.586 0.772 18715 4532 1 8 . 1 1 44 44 PHE CB C 44 39.166 39.166 37.963 1.203 18715 4533 1 8 . 1 1 44 44 PHE H H 44 7.529 7.529 7.553 -0.024 18715 4534 1 8 . 1 1 45 45 ALA N N 45 118.915 118.915 119.551 -0.636 18715 4535 1 8 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.955 0.060 18715 4536 1 8 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.251 0.163 18715 4537 1 8 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.184 -0.905 18715 4538 1 8 . 1 1 45 45 ALA H H 45 7.928 7.928 7.709 0.219 18715 4539 1 8 . 1 1 46 46 VAL N N 46 119.540 119.540 119.365 0.175 18715 4540 1 8 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.217 -0.122 18715 4541 1 8 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.140 0.681 18715 4542 1 8 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.556 0.810 18715 4543 1 8 . 1 1 46 46 VAL H H 46 7.765 7.765 7.644 0.121 18715 4544 1 8 . 1 1 47 47 ASN N N 47 125.790 125.790 127.310 -1.520 18715 4545 1 8 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.756 -0.110 18715 4546 1 8 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.209 -1.212 18715 4547 1 8 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.126 0.960 18715 4548 1 8 . 1 1 47 47 ASN H H 47 8.399 8.399 8.844 -0.445 18715 4549 1 8 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.412 -0.190 18715 4550 1 8 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.677 -0.362 18715 4551 1 8 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.865 -0.125 18715 4552 1 8 . 1 1 49 49 GLY N N 49 108.290 108.290 107.608 0.682 18715 4553 1 8 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.243 0.287 18715 4554 1 8 . 1 1 49 49 GLY H H 49 8.620 8.620 8.640 -0.020 18715 4555 1 8 . 1 1 50 50 LEU N N 50 121.728 121.728 121.271 0.457 18715 4556 1 8 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.169 -0.023 18715 4557 1 8 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.050 1.191 18715 4558 1 8 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.839 -0.276 18715 4559 1 8 . 1 1 50 50 LEU H H 50 7.765 7.765 7.520 0.245 18715 4560 1 8 . 1 1 51 51 LEU N N 51 112.040 112.040 118.286 -6.246 18715 4561 1 8 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.157 0.081 18715 4562 1 8 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.380 -0.874 18715 4563 1 8 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.166 0.324 18715 4564 1 8 . 1 1 51 51 LEU H H 51 7.412 7.412 7.680 -0.268 18715 4565 1 8 . 1 1 52 52 GLU N N 52 114.540 114.540 113.882 0.658 18715 4566 1 8 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.315 -0.260 18715 4567 1 8 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.220 3.164 18715 4568 1 8 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.121 1.937 18715 4569 1 8 . 1 1 52 52 GLU H H 52 7.500 7.500 7.601 -0.101 18715 4570 1 8 . 1 1 53 53 THR N N 53 122.978 122.978 111.104 11.874 18715 4571 1 8 . 1 1 53 53 THR HA H 53 4.402 4.402 4.508 -0.106 18715 4572 1 8 . 1 1 53 53 THR CA C 53 58.306 58.306 59.637 -1.331 18715 4573 1 8 . 1 1 53 53 THR CB C 53 73.222 73.222 71.565 1.657 18715 4574 1 8 . 1 1 53 53 THR H H 53 7.235 7.235 7.521 -0.286 18715 4575 1 8 . 1 1 54 54 SER N N 54 119.228 119.228 120.748 -1.520 18715 4576 1 8 . 1 1 54 54 SER HA H 54 4.043 4.043 4.242 -0.199 18715 4577 1 8 . 1 1 54 54 SER CA C 54 62.657 62.657 60.674 1.983 18715 4578 1 8 . 1 1 54 54 SER CB C 54 62.562 62.562 62.988 -0.426 18715 4579 1 8 . 1 1 54 54 SER H H 54 9.313 9.313 8.957 0.356 18715 4580 1 8 . 1 1 55 55 GLU N N 55 121.233 121.233 119.618 1.615 18715 4581 1 8 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.350 -0.281 18715 4582 1 8 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.691 0.984 18715 4583 1 8 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.635 -0.636 18715 4584 1 8 . 1 1 55 55 GLU H H 55 8.975 8.975 8.573 0.402 18715 4585 1 8 . 1 1 56 56 GLY N N 56 110.790 110.790 109.075 1.715 18715 4586 1 8 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.391 0.475 18715 4587 1 8 . 1 1 56 56 GLY H H 56 8.517 8.517 8.302 0.215 18715 4588 1 8 . 1 1 57 57 CYS N N 57 118.602 118.602 120.280 -1.678 18715 4589 1 8 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.156 -0.136 18715 4590 1 8 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.958 1.644 18715 4591 1 8 . 1 1 57 57 CYS CB C 57 47.795 47.795 26.793 21.002 18715 4592 1 8 . 1 1 57 57 CYS H H 57 8.122 8.122 8.148 -0.026 18715 4593 1 8 . 1 1 58 58 ARG N N 58 119.540 119.540 119.863 -0.323 18715 4594 1 8 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.659 -0.109 18715 4595 1 8 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.714 -0.007 18715 4596 1 8 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.989 -0.541 18715 4597 1 8 . 1 1 58 58 ARG H H 58 8.488 8.488 7.660 0.828 18715 4598 1 8 . 1 1 59 59 GLN N N 59 119.852 119.852 118.713 1.139 18715 4599 1 8 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.068 -0.016 18715 4600 1 8 . 1 1 59 59 GLN CA C 59 59.400 59.400 59.216 0.184 18715 4601 1 8 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.591 -0.357 18715 4602 1 8 . 1 1 59 59 GLN H H 59 8.016 8.016 7.567 0.449 18715 4603 1 8 . 1 1 60 60 ILE N N 60 120.790 120.790 120.566 0.224 18715 4604 1 8 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.713 -0.102 18715 4605 1 8 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.142 0.448 18715 4606 1 8 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.979 -0.129 18715 4607 1 8 . 1 1 60 60 ILE H H 60 8.163 8.163 8.307 -0.144 18715 4608 1 8 . 1 1 61 61 LEU N N 61 118.915 118.915 119.557 -0.642 18715 4609 1 8 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.129 -0.234 18715 4610 1 8 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.560 1.094 18715 4611 1 8 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.392 -0.616 18715 4612 1 8 . 1 1 61 61 LEU H H 61 8.370 8.370 8.500 -0.130 18715 4613 1 8 . 1 1 62 62 GLY N N 62 104.332 104.332 107.368 -3.036 18715 4614 1 8 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.011 0.173 18715 4615 1 8 . 1 1 62 62 GLY H H 62 7.883 7.883 8.049 -0.166 18715 4616 1 8 . 1 1 63 63 GLN N N 63 119.852 119.852 118.992 0.860 18715 4617 1 8 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.314 -0.162 18715 4618 1 8 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.183 0.811 18715 4619 1 8 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.078 0.121 18715 4620 1 8 . 1 1 63 63 GLN H H 63 7.795 7.795 7.679 0.116 18715 4621 1 8 . 1 1 64 64 LEU N N 64 117.040 117.040 119.708 -2.668 18715 4622 1 8 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.122 0.159 18715 4623 1 8 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.385 -0.284 18715 4624 1 8 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.093 2.150 18715 4625 1 8 . 1 1 64 64 LEU H H 64 8.252 8.252 7.490 0.762 18715 4626 1 8 . 1 1 65 65 GLN N N 65 118.915 118.915 119.926 -1.011 18715 4627 1 8 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.831 -0.052 18715 4628 1 8 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.954 0.593 18715 4629 1 8 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.894 -1.030 18715 4630 1 8 . 1 1 65 65 GLN H H 65 8.104 8.104 8.427 -0.323 18715 4631 1 8 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.325 0.058 18715 4632 1 8 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.715 1.202 18715 4633 1 8 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.047 0.053 18715 4634 1 8 . 1 1 67 67 SER N N 67 111.415 111.415 113.036 -1.621 18715 4635 1 8 . 1 1 67 67 SER HA H 67 4.493 4.493 4.335 0.158 18715 4636 1 8 . 1 1 67 67 SER CA C 67 59.696 59.696 59.905 -0.209 18715 4637 1 8 . 1 1 67 67 SER CB C 67 64.031 64.031 63.066 0.965 18715 4638 1 8 . 1 1 67 67 SER H H 67 7.824 7.824 7.600 0.224 18715 4639 1 8 . 1 1 68 68 LEU N N 68 121.102 121.102 121.535 -0.433 18715 4640 1 8 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.833 -0.017 18715 4641 1 8 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.902 0.046 18715 4642 1 8 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.328 0.441 18715 4643 1 8 . 1 1 68 68 LEU H H 68 7.647 7.647 8.000 -0.353 18715 4644 1 8 . 1 1 69 69 GLN N N 69 116.415 116.415 118.986 -2.571 18715 4645 1 8 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.089 -0.020 18715 4646 1 8 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.376 0.094 18715 4647 1 8 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.043 -0.615 18715 4648 1 8 . 1 1 69 69 GLN H H 69 8.060 8.060 8.376 -0.315 18715 4649 1 8 . 1 1 70 70 THR N N 70 106.728 106.728 108.925 -2.197 18715 4650 1 8 . 1 1 70 70 THR HA H 70 4.481 4.481 4.556 -0.075 18715 4651 1 8 . 1 1 70 70 THR CA C 70 61.291 61.291 61.050 0.241 18715 4652 1 8 . 1 1 70 70 THR CB C 70 69.415 69.415 69.939 -0.523 18715 4653 1 8 . 1 1 70 70 THR H H 70 7.515 7.515 7.755 -0.240 18715 4654 1 8 . 1 1 71 71 GLY N N 71 109.540 109.540 110.565 -1.025 18715 4655 1 8 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.163 1.390 18715 4656 1 8 . 1 1 71 71 GLY H H 71 7.692 7.692 7.405 0.287 18715 4657 1 8 . 1 1 72 72 SER N N 72 114.540 114.540 114.580 -0.040 18715 4658 1 8 . 1 1 72 72 SER HA H 72 4.625 4.625 4.730 -0.105 18715 4659 1 8 . 1 1 72 72 SER CA C 72 57.319 57.319 57.071 0.248 18715 4660 1 8 . 1 1 72 72 SER CB C 72 64.599 64.599 64.983 -0.384 18715 4661 1 8 . 1 1 72 72 SER H H 72 8.045 8.045 8.062 -0.017 18715 4662 1 8 . 1 1 73 73 GLU N N 73 124.228 124.228 119.897 4.331 18715 4663 1 8 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.104 -0.017 18715 4664 1 8 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.362 0.018 18715 4665 1 8 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.227 0.075 18715 4666 1 8 . 1 1 73 73 GLU H H 73 9.092 9.092 8.947 0.145 18715 4667 1 8 . 1 1 74 74 GLU N N 74 120.165 120.165 119.872 0.293 18715 4668 1 8 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.504 -0.215 18715 4669 1 8 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.088 1.140 18715 4670 1 8 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.939 -0.477 18715 4671 1 8 . 1 1 74 74 GLU H H 74 8.665 8.665 7.792 0.873 18715 4672 1 8 . 1 1 75 75 LEU N N 75 121.415 121.415 120.588 0.827 18715 4673 1 8 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.077 0.084 18715 4674 1 8 . 1 1 75 75 LEU CA C 75 57.953 57.953 57.876 0.077 18715 4675 1 8 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.070 -0.802 18715 4676 1 8 . 1 1 75 75 LEU H H 75 7.765 7.765 7.570 0.195 18715 4677 1 8 . 1 1 76 76 ARG N N 76 119.228 119.228 119.328 -0.100 18715 4678 1 8 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.043 -0.110 18715 4679 1 8 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.983 -0.301 18715 4680 1 8 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.434 -1.237 18715 4681 1 8 . 1 1 76 76 ARG H H 76 7.868 7.868 8.355 -0.487 18715 4682 1 8 . 1 1 77 77 SER N N 77 114.228 114.228 116.069 -1.841 18715 4683 1 8 . 1 1 77 77 SER HA H 77 4.263 4.263 4.184 0.079 18715 4684 1 8 . 1 1 77 77 SER CA C 77 62.668 62.668 62.695 -0.027 18715 4685 1 8 . 1 1 77 77 SER CB C 77 62.849 62.849 62.860 -0.011 18715 4686 1 8 . 1 1 77 77 SER H H 77 8.576 8.576 7.919 0.657 18715 4687 1 8 . 1 1 78 78 LEU N N 78 125.790 125.790 123.111 2.679 18715 4688 1 8 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.339 0.082 18715 4689 1 8 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.059 0.903 18715 4690 1 8 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.323 0.720 18715 4691 1 8 . 1 1 78 78 LEU H H 78 8.458 8.458 8.037 0.421 18715 4692 1 8 . 1 1 79 79 TYR N N 79 119.852 119.852 119.651 0.201 18715 4693 1 8 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.094 -0.433 18715 4694 1 8 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.672 1.130 18715 4695 1 8 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.366 0.828 18715 4696 1 8 . 1 1 79 79 TYR H H 79 8.694 8.694 8.029 0.665 18715 4697 1 8 . 1 1 80 80 ASN N N 80 117.040 117.040 117.886 -0.846 18715 4698 1 8 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.513 -0.229 18715 4699 1 8 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.083 -0.296 18715 4700 1 8 . 1 1 80 80 ASN CB C 80 37.839 37.839 37.874 -0.035 18715 4701 1 8 . 1 1 80 80 ASN H H 80 8.871 8.871 7.947 0.924 18715 4702 1 8 . 1 1 81 81 THR N N 81 115.790 115.790 118.895 -3.105 18715 4703 1 8 . 1 1 81 81 THR HA H 81 3.945 3.945 4.238 -0.293 18715 4704 1 8 . 1 1 81 81 THR CA C 81 67.855 67.855 68.146 -0.291 18715 4705 1 8 . 1 1 81 81 THR CB C 81 69.140 69.140 69.072 0.068 18715 4706 1 8 . 1 1 81 81 THR H H 81 8.119 8.119 8.170 -0.051 18715 4707 1 8 . 1 1 82 82 ILE N N 82 121.102 121.102 119.884 1.218 18715 4708 1 8 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.866 -0.198 18715 4709 1 8 . 1 1 82 82 ILE CA C 82 64.520 64.520 64.910 -0.390 18715 4710 1 8 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.587 -1.101 18715 4711 1 8 . 1 1 82 82 ILE H H 82 8.090 8.090 8.774 -0.684 18715 4712 1 8 . 1 1 83 83 ALA N N 83 125.165 125.165 123.715 1.450 18715 4713 1 8 . 1 1 83 83 ALA HA H 83 3.891 3.891 4.008 -0.117 18715 4714 1 8 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.083 0.772 18715 4715 1 8 . 1 1 83 83 ALA CB C 83 17.848 17.848 18.120 -0.272 18715 4716 1 8 . 1 1 83 83 ALA H H 83 8.782 8.782 7.289 1.493 18715 4717 1 8 . 1 1 84 84 VAL N N 84 117.665 117.665 119.559 -1.894 18715 4718 1 8 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.537 -0.209 18715 4719 1 8 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.598 0.867 18715 4720 1 8 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.280 -0.586 18715 4721 1 8 . 1 1 84 84 VAL H H 84 7.795 7.795 8.066 -0.271 18715 4722 1 8 . 1 1 85 85 LEU N N 85 122.040 122.040 120.668 1.372 18715 4723 1 8 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.877 -0.062 18715 4724 1 8 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.739 0.571 18715 4725 1 8 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.668 0.480 18715 4726 1 8 . 1 1 85 85 LEU H H 85 8.163 8.163 8.010 0.153 18715 4727 1 8 . 1 1 86 86 TYR N N 86 118.915 118.915 120.538 -1.623 18715 4728 1 8 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.059 -0.147 18715 4729 1 8 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.749 1.069 18715 4730 1 8 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.851 0.436 18715 4731 1 8 . 1 1 86 86 TYR H H 86 9.062 9.062 7.770 1.292 18715 4732 1 8 . 1 1 87 87 CYS N N 87 116.102 116.102 117.048 -0.946 18715 4733 1 8 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.849 -0.055 18715 4734 1 8 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.626 2.340 18715 4735 1 8 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.000 20.557 18715 4736 1 8 . 1 1 87 87 CYS H H 87 7.515 7.515 8.425 -0.910 18715 4737 1 8 . 1 1 88 88 VAL N N 88 119.978 119.978 119.828 0.150 18715 4738 1 8 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.986 -0.108 18715 4739 1 8 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.525 0.921 18715 4740 1 8 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.287 0.209 18715 4741 1 8 . 1 1 88 88 VAL H H 88 8.448 8.448 7.391 1.057 18715 4742 1 8 . 1 1 89 89 HIS N N 89 118.915 118.915 116.034 2.881 18715 4743 1 8 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.444 0.431 18715 4744 1 8 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.392 -0.272 18715 4745 1 8 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.400 -0.317 18715 4746 1 8 . 1 1 89 89 HIS H H 89 8.797 8.797 7.894 0.903 18715 4747 1 8 . 1 1 90 90 GLN N N 90 116.728 116.728 117.431 -0.703 18715 4748 1 8 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.192 0.193 18715 4749 1 8 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.137 -1.848 18715 4750 1 8 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.395 0.557 18715 4751 1 8 . 1 1 90 90 GLN H H 90 7.986 7.986 7.910 0.076 18715 4752 1 8 . 1 1 91 91 ARG N N 91 115.165 115.165 115.956 -0.791 18715 4753 1 8 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.393 -0.380 18715 4754 1 8 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.071 1.113 18715 4755 1 8 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.255 -5.206 18715 4756 1 8 . 1 1 91 91 ARG H H 91 7.883 7.883 7.850 0.033 18715 4757 1 8 . 1 1 92 92 ILE N N 92 120.087 120.087 120.846 -0.759 18715 4758 1 8 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.239 -0.254 18715 4759 1 8 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.807 -0.151 18715 4760 1 8 . 1 1 92 92 ILE CB C 92 38.930 38.930 41.091 -2.161 18715 4761 1 8 . 1 1 92 92 ILE H H 92 8.335 8.335 8.360 -0.025 18715 4762 1 8 . 1 1 93 93 ASP N N 93 129.228 129.228 125.622 3.606 18715 4763 1 8 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.946 -0.461 18715 4764 1 8 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.101 1.942 18715 4765 1 8 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.752 -0.356 18715 4766 1 8 . 1 1 93 93 ASP H H 93 8.620 8.620 8.664 -0.044 18715 4767 1 8 . 1 1 94 94 VAL N N 94 115.790 115.790 114.583 1.207 18715 4768 1 8 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.935 0.698 18715 4769 1 8 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.451 -3.331 18715 4770 1 8 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.633 2.878 18715 4771 1 8 . 1 1 94 94 VAL H H 94 7.751 7.751 7.822 -0.071 18715 4772 1 8 . 1 1 95 95 LYS N N 95 118.915 118.915 118.312 0.603 18715 4773 1 8 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.458 -0.065 18715 4774 1 8 . 1 1 95 95 LYS CA C 95 56.671 56.671 55.072 1.599 18715 4775 1 8 . 1 1 95 95 LYS CB C 95 34.008 34.008 32.663 1.345 18715 4776 1 8 . 1 1 95 95 LYS H H 95 9.239 9.239 8.243 0.996 18715 4777 1 8 . 1 1 96 96 ASP N N 96 112.040 112.040 114.771 -2.731 18715 4778 1 8 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.041 0.521 18715 4779 1 8 . 1 1 96 96 ASP CA C 96 52.829 52.829 53.685 -0.856 18715 4780 1 8 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.840 1.764 18715 4781 1 8 . 1 1 96 96 ASP H H 96 7.412 7.412 7.650 -0.238 18715 4782 1 8 . 1 1 97 97 THR N N 97 109.540 109.540 115.549 -6.009 18715 4783 1 8 . 1 1 97 97 THR HA H 97 3.661 3.661 3.997 -0.336 18715 4784 1 8 . 1 1 97 97 THR CA C 97 65.947 65.947 66.366 -0.419 18715 4785 1 8 . 1 1 97 97 THR CB C 97 70.285 70.285 68.811 1.474 18715 4786 1 8 . 1 1 97 97 THR H H 97 7.250 7.250 8.507 -1.257 18715 4787 1 8 . 1 1 98 98 LYS N N 98 121.102 121.102 122.533 -1.431 18715 4788 1 8 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.998 -0.053 18715 4789 1 8 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.347 0.281 18715 4790 1 8 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.919 0.008 18715 4791 1 8 . 1 1 98 98 LYS H H 98 7.868 7.868 7.995 -0.127 18715 4792 1 8 . 1 1 99 99 GLU N N 99 119.228 119.228 119.437 -0.209 18715 4793 1 8 . 1 1 99 99 GLU HA H 99 4.077 4.077 3.986 0.091 18715 4794 1 8 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.546 0.249 18715 4795 1 8 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.341 0.905 18715 4796 1 8 . 1 1 99 99 GLU H H 99 8.384 8.384 8.627 -0.243 18715 4797 1 8 . 1 1 100 100 ALA N N 100 118.915 118.915 120.885 -1.970 18715 4798 1 8 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.120 0.266 18715 4799 1 8 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.816 0.580 18715 4800 1 8 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.462 1.297 18715 4801 1 8 . 1 1 100 100 ALA H H 100 7.382 7.382 7.802 -0.420 18715 4802 1 8 . 1 1 101 101 LEU N N 101 117.978 117.978 119.593 -1.615 18715 4803 1 8 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.034 -0.014 18715 4804 1 8 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.663 0.312 18715 4805 1 8 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.922 0.571 18715 4806 1 8 . 1 1 101 101 LEU H H 101 8.119 8.119 7.654 0.465 18715 4807 1 8 . 1 1 102 102 ASP N N 102 120.478 120.478 120.335 0.143 18715 4808 1 8 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.329 0.038 18715 4809 1 8 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.765 -0.413 18715 4810 1 8 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.652 -0.930 18715 4811 1 8 . 1 1 102 102 ASP H H 102 8.679 8.679 8.168 0.511 18715 4812 1 8 . 1 1 103 103 LYS N N 103 120.165 120.165 117.985 2.180 18715 4813 1 8 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.161 0.003 18715 4814 1 8 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.659 -0.295 18715 4815 1 8 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.413 -0.881 18715 4816 1 8 . 1 1 103 103 LYS H H 103 8.207 8.207 7.835 0.372 18715 4817 1 8 . 1 1 104 104 ILE N N 104 119.852 119.852 118.114 1.738 18715 4818 1 8 . 1 1 104 104 ILE HA H 104 3.810 3.810 4.055 -0.245 18715 4819 1 8 . 1 1 104 104 ILE CA C 104 64.608 64.608 63.697 0.911 18715 4820 1 8 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.676 -1.242 18715 4821 1 8 . 1 1 104 104 ILE H H 104 8.163 8.163 7.583 0.580 18715 4822 1 8 . 1 1 105 105 GLU N N 105 121.415 121.415 121.656 -0.241 18715 4823 1 8 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.945 0.090 18715 4824 1 8 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.839 -0.205 18715 4825 1 8 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.611 3.145 18715 4826 1 8 . 1 1 105 105 GLU H H 105 8.001 8.001 8.597 -0.596 18715 4827 1 8 . 1 1 106 106 GLU N N 106 119.228 119.228 118.513 0.715 18715 4828 1 8 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.065 0.025 18715 4829 1 8 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.345 -0.078 18715 4830 1 8 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.680 -0.083 18715 4831 1 8 . 1 1 106 106 GLU H H 106 8.031 8.031 8.266 -0.235 18715 4832 1 8 . 1 1 107 107 GLU N N 107 118.915 118.915 119.340 -0.425 18715 4833 1 8 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.111 -0.038 18715 4834 1 8 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.117 0.224 18715 4835 1 8 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.671 0.200 18715 4836 1 8 . 1 1 107 107 GLU H H 107 8.016 8.016 7.553 0.463 18715 4837 1 8 . 1 1 108 108 GLN N N 108 118.290 118.290 119.286 -0.996 18715 4838 1 8 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.038 0.109 18715 4839 1 8 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.964 -0.557 18715 4840 1 8 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.608 0.236 18715 4841 1 8 . 1 1 108 108 GLN H H 108 8.252 8.252 7.615 0.637 18715 4842 1 8 . 1 1 109 109 ASN N N 109 118.290 118.290 117.683 0.607 18715 4843 1 8 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.516 0.101 18715 4844 1 8 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.005 -1.123 18715 4845 1 8 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.471 0.054 18715 4846 1 8 . 1 1 109 109 ASN H H 109 8.252 8.252 8.022 0.230 18715 4847 1 8 . 1 1 110 110 LYS N N 110 120.478 120.478 119.551 0.927 18715 4848 1 8 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.235 -0.005 18715 4849 1 8 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.396 -0.085 18715 4850 1 8 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.289 0.402 18715 4851 1 8 . 1 1 110 110 LYS H H 110 8.031 8.031 7.434 0.597 18715 4852 1 8 . 1 1 111 111 SER N N 111 114.540 114.540 115.519 -0.979 18715 4853 1 8 . 1 1 111 111 SER HA H 111 4.368 4.368 4.361 0.007 18715 4854 1 8 . 1 1 111 111 SER CA C 111 59.764 59.764 61.038 -1.274 18715 4855 1 8 . 1 1 111 111 SER CB C 111 63.442 63.442 63.265 0.177 18715 4856 1 8 . 1 1 111 111 SER H H 111 8.031 8.031 7.952 0.079 18715 4857 1 8 . 1 1 112 112 LYS N N 112 122.040 122.040 121.692 0.348 18715 4858 1 8 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.036 0.209 18715 4859 1 8 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.150 -1.821 18715 4860 1 8 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.411 0.364 18715 4861 1 8 . 1 1 112 112 LYS H H 112 7.957 7.957 7.903 0.054 18715 4862 1 8 . 1 1 113 113 LYS N N 113 120.790 120.790 116.959 3.831 18715 4863 1 8 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.121 0.029 18715 4864 1 8 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.570 0.564 18715 4865 1 8 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.123 0.643 18715 4866 1 8 . 1 1 113 113 LYS H H 113 8.016 8.016 7.698 0.318 18715 4867 1 8 . 1 1 114 114 LYS N N 114 121.728 121.728 118.292 3.436 18715 4868 1 8 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.207 0.056 18715 4869 1 8 . 1 1 114 114 LYS CA C 114 57.185 57.185 57.689 -0.504 18715 4870 1 8 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.693 0.164 18715 4871 1 8 . 1 1 114 114 LYS H H 114 8.119 8.119 7.613 0.506 18715 4872 1 8 . 1 1 115 115 ALA N N 115 124.228 124.228 120.005 4.223 18715 4873 1 8 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.590 -0.322 18715 4874 1 8 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.328 0.707 18715 4875 1 8 . 1 1 115 115 ALA CB C 115 19.038 19.038 17.954 1.084 18715 4876 1 8 . 1 1 115 115 ALA H H 115 8.178 8.178 7.282 0.896 18715 4877 1 8 . 1 1 116 116 GLN N N 116 119.228 119.228 117.768 1.460 18715 4878 1 8 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.446 -0.198 18715 4879 1 8 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.088 0.461 18715 4880 1 8 . 1 1 116 116 GLN H H 116 8.237 8.237 7.791 0.446 18715 4881 1 8 . 1 1 117 117 GLN N N 117 120.478 120.478 119.560 0.918 18715 4882 1 8 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.284 -0.015 18715 4883 1 8 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.747 -1.423 18715 4884 1 8 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.211 0.395 18715 4885 1 8 . 1 1 117 117 GLN H H 117 8.266 8.266 8.324 -0.058 18715 4886 1 8 . 1 1 118 118 ALA N N 118 124.852 124.852 122.635 2.217 18715 4887 1 8 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.250 0.026 18715 4888 1 8 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.464 -0.627 18715 4889 1 8 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.501 0.561 18715 4890 1 8 . 1 1 118 118 ALA H H 118 8.266 8.266 8.344 -0.078 18715 4891 1 8 . 1 1 119 119 ALA N N 119 122.978 122.978 122.213 0.765 18715 4892 1 8 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.377 -0.083 18715 4893 1 8 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.202 0.435 18715 4894 1 8 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.022 2.179 18715 4895 1 8 . 1 1 119 119 ALA H H 119 8.163 8.163 8.320 -0.157 18715 4896 1 8 . 1 1 120 120 ALA N N 120 122.665 122.665 122.099 0.566 18715 4897 1 8 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.422 -0.145 18715 4898 1 8 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.355 0.381 18715 4899 1 8 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.727 -0.560 18715 4900 1 8 . 1 1 120 120 ALA H H 120 8.163 8.163 7.576 0.587 18715 4901 1 8 . 1 1 121 121 ASP N N 121 119.228 119.228 120.293 -1.065 18715 4902 1 8 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.683 -0.001 18715 4903 1 8 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.166 -0.902 18715 4904 1 8 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.359 -0.231 18715 4905 1 8 . 1 1 121 121 ASP H H 121 8.252 8.252 8.579 -0.327 18715 4906 1 8 . 1 1 122 122 THR N N 122 113.602 113.602 114.476 -0.874 18715 4907 1 8 . 1 1 122 122 THR HA H 122 4.358 4.358 4.386 -0.028 18715 4908 1 8 . 1 1 122 122 THR CA C 122 61.971 61.971 61.829 0.142 18715 4909 1 8 . 1 1 122 122 THR CB C 122 69.586 69.586 69.905 -0.319 18715 4910 1 8 . 1 1 122 122 THR H H 122 8.075 8.075 7.737 0.338 18715 4911 1 8 . 1 1 123 123 GLY N N 123 110.478 110.478 111.196 -0.718 18715 4912 1 8 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.415 1.188 18715 4913 1 8 . 1 1 123 123 GLY H H 123 8.414 8.414 8.483 -0.069 18715 4914 1 8 . 1 1 124 124 ASN N N 124 118.602 118.602 115.795 2.807 18715 4915 1 8 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.667 -0.059 18715 4916 1 8 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.462 2.271 18715 4917 1 8 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.700 -1.162 18715 4918 1 8 . 1 1 124 124 ASN H H 124 8.266 8.266 8.280 -0.014 18715 4919 1 8 . 1 1 125 125 ASN N N 125 119.228 119.228 118.660 0.568 18715 4920 1 8 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.935 -0.211 18715 4921 1 8 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.058 0.395 18715 4922 1 8 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.230 -0.417 18715 4923 1 8 . 1 1 125 125 ASN H H 125 8.443 8.443 8.653 -0.210 18715 4924 1 8 . 1 1 126 126 SER N N 126 115.790 115.790 119.247 -3.457 18715 4925 1 8 . 1 1 126 126 SER HA H 126 4.388 4.388 4.598 -0.210 18715 4926 1 8 . 1 1 126 126 SER CA C 126 58.851 58.851 57.693 1.158 18715 4927 1 8 . 1 1 126 126 SER CB C 126 63.926 63.926 64.097 -0.171 18715 4928 1 8 . 1 1 126 126 SER H H 126 8.266 8.266 8.362 -0.096 18715 4929 1 8 . 1 1 127 127 GLN N N 127 121.728 121.728 121.268 0.460 18715 4930 1 8 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.377 -0.054 18715 4931 1 8 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.586 0.637 18715 4932 1 8 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.265 -0.097 18715 4933 1 8 . 1 1 127 127 GLN H H 127 8.355 8.355 8.346 0.009 18715 4934 1 8 . 1 1 128 128 VAL N N 128 119.852 119.852 121.647 -1.795 18715 4935 1 8 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.099 0.010 18715 4936 1 8 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.522 0.143 18715 4937 1 8 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.636 0.133 18715 4938 1 8 . 1 1 128 128 VAL H H 128 7.986 7.986 8.413 -0.427 18715 4939 1 8 . 1 1 129 129 SER N N 129 117.978 117.978 121.173 -3.195 18715 4940 1 8 . 1 1 129 129 SER HA H 129 4.136 4.136 4.670 -0.534 18715 4941 1 8 . 1 1 129 129 SER CA C 129 58.404 58.404 57.586 0.818 18715 4942 1 8 . 1 1 129 129 SER CB C 129 63.755 63.755 64.156 -0.401 18715 4943 1 8 . 1 1 129 129 SER H H 129 8.252 8.252 8.451 -0.199 18715 4944 1 8 . 1 1 130 130 GLN N N 130 121.728 121.728 120.314 1.414 18715 4945 1 8 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.481 -0.126 18715 4946 1 8 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.183 0.967 18715 4947 1 8 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.484 -0.111 18715 4948 1 8 . 1 1 130 130 GLN H H 130 8.355 8.355 8.323 0.032 18715 4949 1 8 . 1 1 131 131 ASN N N 131 118.290 118.290 117.793 0.497 18715 4950 1 8 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.072 -0.440 18715 4951 1 8 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.846 0.723 18715 4952 1 8 . 1 1 131 131 ASN H H 131 8.252 8.252 8.510 -0.258 18715 4953 1 9 . 1 1 3 3 ALA N N 3 123.842 123.842 125.004 -1.162 18715 4954 1 9 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.534 -0.206 18715 4955 1 9 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.061 1.476 18715 4956 1 9 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.460 -1.210 18715 4957 1 9 . 1 1 3 3 ALA H H 3 8.183 8.183 8.318 -0.135 18715 4958 1 9 . 1 1 4 4 ARG N N 4 120.165 120.165 121.589 -1.424 18715 4959 1 9 . 1 1 4 4 ARG HA H 4 4.256 4.256 3.912 0.344 18715 4960 1 9 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.099 -0.134 18715 4961 1 9 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.110 1.851 18715 4962 1 9 . 1 1 4 4 ARG H H 4 8.429 8.429 8.421 0.008 18715 4963 1 9 . 1 1 5 5 ALA N N 5 125.165 125.165 121.627 3.538 18715 4964 1 9 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.044 0.238 18715 4965 1 9 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.358 0.013 18715 4966 1 9 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.026 0.646 18715 4967 1 9 . 1 1 5 5 ALA H H 5 8.370 8.370 8.113 0.257 18715 4968 1 9 . 1 1 6 6 SER N N 6 114.540 114.540 113.140 1.400 18715 4969 1 9 . 1 1 6 6 SER HA H 6 4.479 4.479 4.152 0.327 18715 4970 1 9 . 1 1 6 6 SER CA C 6 57.804 57.804 58.980 -1.176 18715 4971 1 9 . 1 1 6 6 SER CB C 6 64.034 64.034 63.297 0.737 18715 4972 1 9 . 1 1 6 6 SER H H 6 8.134 8.134 8.290 -0.156 18715 4973 1 9 . 1 1 7 7 VAL N N 7 121.415 121.415 120.359 1.056 18715 4974 1 9 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.069 -0.452 18715 4975 1 9 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.257 2.454 18715 4976 1 9 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.433 -0.497 18715 4977 1 9 . 1 1 7 7 VAL H H 7 8.119 8.119 8.156 -0.037 18715 4978 1 9 . 1 1 8 8 LEU N N 8 115.478 115.478 119.334 -3.856 18715 4979 1 9 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.686 0.246 18715 4980 1 9 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.769 -1.262 18715 4981 1 9 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.615 0.688 18715 4982 1 9 . 1 1 8 8 LEU H H 8 7.382 7.382 7.900 -0.518 18715 4983 1 9 . 1 1 9 9 SER N N 9 118.290 118.290 117.355 0.935 18715 4984 1 9 . 1 1 9 9 SER HA H 9 4.606 4.606 4.640 -0.034 18715 4985 1 9 . 1 1 9 9 SER CA C 9 57.197 57.197 57.127 0.070 18715 4986 1 9 . 1 1 9 9 SER CB C 9 65.426 65.426 64.976 0.450 18715 4987 1 9 . 1 1 9 9 SER H H 9 9.166 9.166 8.680 0.486 18715 4988 1 9 . 1 1 10 10 GLY N N 10 109.228 109.228 108.919 0.309 18715 4989 1 9 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.048 0.626 18715 4990 1 9 . 1 1 10 10 GLY H H 10 8.959 8.959 8.662 0.297 18715 4991 1 9 . 1 1 11 11 GLY N N 11 111.102 111.102 109.853 1.249 18715 4992 1 9 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.462 0.199 18715 4993 1 9 . 1 1 11 11 GLY H H 11 8.782 8.782 7.815 0.967 18715 4994 1 9 . 1 1 12 12 GLU N N 12 120.165 120.165 122.211 -2.046 18715 4995 1 9 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.025 -0.075 18715 4996 1 9 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.628 0.468 18715 4997 1 9 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.522 1.768 18715 4998 1 9 . 1 1 12 12 GLU H H 12 7.751 7.751 7.508 0.243 18715 4999 1 9 . 1 1 13 13 LEU N N 13 121.415 121.415 121.568 -0.153 18715 5000 1 9 . 1 1 13 13 LEU HA H 13 4.108 4.108 3.993 0.115 18715 5001 1 9 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.411 -0.349 18715 5002 1 9 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.809 -0.873 18715 5003 1 9 . 1 1 13 13 LEU H H 13 8.340 8.340 8.467 -0.127 18715 5004 1 9 . 1 1 14 14 ASP N N 14 116.415 116.415 119.208 -2.793 18715 5005 1 9 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.325 0.068 18715 5006 1 9 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.765 -0.629 18715 5007 1 9 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.271 0.815 18715 5008 1 9 . 1 1 14 14 ASP H H 14 7.574 7.574 7.842 -0.268 18715 5009 1 9 . 1 1 15 15 LYS N N 15 115.478 115.478 120.432 -4.954 18715 5010 1 9 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.065 -0.019 18715 5011 1 9 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.985 -1.583 18715 5012 1 9 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.444 -0.085 18715 5013 1 9 . 1 1 15 15 LYS H H 15 7.117 7.117 7.387 -0.270 18715 5014 1 9 . 1 1 16 16 TRP N N 16 121.693 121.693 121.167 0.526 18715 5015 1 9 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.130 -0.105 18715 5016 1 9 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.557 -0.271 18715 5017 1 9 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.587 1.526 18715 5018 1 9 . 1 1 16 16 TRP H H 16 8.646 8.646 8.552 0.094 18715 5019 1 9 . 1 1 17 17 GLU N N 17 127.710 127.710 116.821 10.889 18715 5020 1 9 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.326 0.365 18715 5021 1 9 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.868 -2.099 18715 5022 1 9 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.581 0.164 18715 5023 1 9 . 1 1 17 17 GLU H H 17 7.571 7.571 8.183 -0.612 18715 5024 1 9 . 1 1 18 18 LYS N N 18 115.790 115.790 118.442 -2.652 18715 5025 1 9 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.135 0.362 18715 5026 1 9 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.794 -2.225 18715 5027 1 9 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.908 1.031 18715 5028 1 9 . 1 1 18 18 LYS H H 18 7.456 7.456 7.244 0.212 18715 5029 1 9 . 1 1 19 19 ILE N N 19 124.228 124.228 120.241 3.987 18715 5030 1 9 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.924 -0.367 18715 5031 1 9 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.500 -0.380 18715 5032 1 9 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.642 0.539 18715 5033 1 9 . 1 1 19 19 ILE H H 19 7.633 7.633 8.027 -0.394 18715 5034 1 9 . 1 1 20 20 ARG N N 20 125.790 125.790 124.483 1.307 18715 5035 1 9 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.420 0.008 18715 5036 1 9 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.604 1.891 18715 5037 1 9 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.718 -0.181 18715 5038 1 9 . 1 1 20 20 ARG H H 20 8.031 8.031 8.582 -0.551 18715 5039 1 9 . 1 1 21 21 LEU N N 21 120.165 120.165 120.100 0.065 18715 5040 1 9 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.747 -0.301 18715 5041 1 9 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.761 1.474 18715 5042 1 9 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.139 -0.604 18715 5043 1 9 . 1 1 21 21 LEU H H 21 7.810 7.810 7.969 -0.159 18715 5044 1 9 . 1 1 22 22 ARG N N 22 119.540 119.540 115.639 3.901 18715 5045 1 9 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.693 0.152 18715 5046 1 9 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.245 -0.401 18715 5047 1 9 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.587 -0.971 18715 5048 1 9 . 1 1 22 22 ARG H H 22 8.974 8.974 7.493 1.481 18715 5049 1 9 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.653 -0.293 18715 5050 1 9 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.294 -0.858 18715 5051 1 9 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.231 -0.666 18715 5052 1 9 . 1 1 24 24 GLY N N 24 112.665 112.665 105.820 6.845 18715 5053 1 9 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.598 1.207 18715 5054 1 9 . 1 1 24 24 GLY H H 24 9.138 9.138 8.066 1.072 18715 5055 1 9 . 1 1 25 25 GLY N N 25 107.978 107.978 107.900 0.078 18715 5056 1 9 . 1 1 25 25 GLY CA C 25 44.572 44.572 43.986 0.586 18715 5057 1 9 . 1 1 25 25 GLY H H 25 8.134 8.134 7.230 0.904 18715 5058 1 9 . 1 1 26 26 LYS N N 26 117.665 117.665 117.963 -0.298 18715 5059 1 9 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.344 -0.080 18715 5060 1 9 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.248 0.605 18715 5061 1 9 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.776 0.280 18715 5062 1 9 . 1 1 26 26 LYS H H 26 8.665 8.665 8.300 0.365 18715 5063 1 9 . 1 1 27 27 LYS N N 27 117.925 117.925 122.349 -4.424 18715 5064 1 9 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.099 0.212 18715 5065 1 9 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.830 0.381 18715 5066 1 9 . 1 1 27 27 LYS CB C 27 33.878 33.878 32.435 1.443 18715 5067 1 9 . 1 1 27 27 LYS H H 27 7.817 7.817 7.974 -0.157 18715 5068 1 9 . 1 1 28 28 GLN N N 28 122.978 122.978 122.390 0.588 18715 5069 1 9 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.186 0.630 18715 5070 1 9 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.473 -1.000 18715 5071 1 9 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.998 4.056 18715 5072 1 9 . 1 1 28 28 GLN H H 28 8.458 8.458 8.315 0.143 18715 5073 1 9 . 1 1 29 29 TYR N N 29 119.540 119.540 119.643 -0.103 18715 5074 1 9 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.388 -0.656 18715 5075 1 9 . 1 1 29 29 TYR CA C 29 61.010 61.010 60.050 0.959 18715 5076 1 9 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.084 -1.869 18715 5077 1 9 . 1 1 29 29 TYR H H 29 7.824 7.824 8.391 -0.567 18715 5078 1 9 . 1 1 30 30 LYS N N 30 117.978 117.978 120.015 -2.037 18715 5079 1 9 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.901 0.315 18715 5080 1 9 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.980 -0.915 18715 5081 1 9 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.601 1.987 18715 5082 1 9 . 1 1 30 30 LYS H H 30 10.610 10.610 9.200 1.410 18715 5083 1 9 . 1 1 31 31 LEU N N 31 128.602 128.602 123.703 4.899 18715 5084 1 9 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.108 0.073 18715 5085 1 9 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.682 0.552 18715 5086 1 9 . 1 1 31 31 LEU CB C 31 41.002 41.002 42.009 -1.007 18715 5087 1 9 . 1 1 31 31 LEU H H 31 9.991 9.991 8.956 1.035 18715 5088 1 9 . 1 1 32 32 LYS N N 32 115.165 115.165 119.183 -4.018 18715 5089 1 9 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.989 0.156 18715 5090 1 9 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.019 0.078 18715 5091 1 9 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.525 0.034 18715 5092 1 9 . 1 1 32 32 LYS H H 32 8.399 8.399 8.649 -0.250 18715 5093 1 9 . 1 1 33 33 HIS N N 33 119.540 119.540 117.188 2.352 18715 5094 1 9 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.702 -0.098 18715 5095 1 9 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.633 3.258 18715 5096 1 9 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.613 2.171 18715 5097 1 9 . 1 1 33 33 HIS H H 33 8.193 8.193 7.954 0.239 18715 5098 1 9 . 1 1 34 34 ILE N N 34 119.540 119.540 120.834 -1.294 18715 5099 1 9 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.897 -0.103 18715 5100 1 9 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.706 -0.858 18715 5101 1 9 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.698 -0.719 18715 5102 1 9 . 1 1 34 34 ILE H H 34 7.898 7.898 7.526 0.372 18715 5103 1 9 . 1 1 35 35 VAL N N 35 122.040 122.040 119.420 2.620 18715 5104 1 9 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.714 -0.102 18715 5105 1 9 . 1 1 35 35 VAL CA C 35 66.746 66.746 67.038 -0.292 18715 5106 1 9 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.792 0.350 18715 5107 1 9 . 1 1 35 35 VAL H H 35 7.706 7.706 8.633 -0.927 18715 5108 1 9 . 1 1 36 36 TRP N N 36 119.986 119.986 121.754 -1.768 18715 5109 1 9 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.206 0.027 18715 5110 1 9 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.773 0.338 18715 5111 1 9 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.550 -1.139 18715 5112 1 9 . 1 1 36 36 TRP H H 36 8.452 8.452 7.775 0.677 18715 5113 1 9 . 1 1 37 37 ALA N N 37 120.478 120.478 119.710 0.768 18715 5114 1 9 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.655 -0.265 18715 5115 1 9 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.114 -0.001 18715 5116 1 9 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.293 -0.863 18715 5117 1 9 . 1 1 37 37 ALA H H 37 8.311 8.311 8.430 -0.119 18715 5118 1 9 . 1 1 38 38 SER N N 38 111.415 111.415 114.756 -3.341 18715 5119 1 9 . 1 1 38 38 SER HA H 38 3.906 3.906 4.027 -0.121 18715 5120 1 9 . 1 1 38 38 SER CA C 38 62.801 62.801 61.377 1.424 18715 5121 1 9 . 1 1 38 38 SER CB C 38 62.829 62.829 63.039 -0.211 18715 5122 1 9 . 1 1 38 38 SER H H 38 8.259 8.259 7.509 0.750 18715 5123 1 9 . 1 1 39 39 ARG N N 39 119.852 119.852 121.578 -1.726 18715 5124 1 9 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.963 0.182 18715 5125 1 9 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.327 -0.917 18715 5126 1 9 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.186 -0.178 18715 5127 1 9 . 1 1 39 39 ARG H H 39 7.559 7.559 7.630 -0.071 18715 5128 1 9 . 1 1 40 40 GLU N N 40 121.102 121.102 118.665 2.437 18715 5129 1 9 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.817 -0.030 18715 5130 1 9 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.865 0.416 18715 5131 1 9 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.851 0.823 18715 5132 1 9 . 1 1 40 40 GLU H H 40 8.222 8.222 7.761 0.461 18715 5133 1 9 . 1 1 41 41 LEU N N 41 117.040 117.040 121.212 -4.172 18715 5134 1 9 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.056 -0.103 18715 5135 1 9 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.760 0.563 18715 5136 1 9 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.086 -1.906 18715 5137 1 9 . 1 1 41 41 LEU H H 41 8.016 8.016 7.720 0.296 18715 5138 1 9 . 1 1 42 42 GLU N N 42 117.352 117.352 118.382 -1.030 18715 5139 1 9 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.007 0.120 18715 5140 1 9 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.131 0.440 18715 5141 1 9 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.323 0.342 18715 5142 1 9 . 1 1 42 42 GLU H H 42 7.559 7.559 8.000 -0.441 18715 5143 1 9 . 1 1 43 43 ARG N N 43 119.540 119.540 118.997 0.543 18715 5144 1 9 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.036 0.006 18715 5145 1 9 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.267 0.223 18715 5146 1 9 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.109 -0.444 18715 5147 1 9 . 1 1 43 43 ARG H H 43 7.647 7.647 7.277 0.370 18715 5148 1 9 . 1 1 44 44 PHE N N 44 117.665 117.665 118.687 -1.022 18715 5149 1 9 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.649 -0.035 18715 5150 1 9 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.453 0.905 18715 5151 1 9 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.181 0.986 18715 5152 1 9 . 1 1 44 44 PHE H H 44 7.529 7.529 7.664 -0.135 18715 5153 1 9 . 1 1 45 45 ALA N N 45 118.915 118.915 120.053 -1.138 18715 5154 1 9 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.942 0.073 18715 5155 1 9 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.404 0.010 18715 5156 1 9 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.054 -0.775 18715 5157 1 9 . 1 1 45 45 ALA H H 45 7.928 7.928 7.732 0.196 18715 5158 1 9 . 1 1 46 46 VAL N N 46 119.540 119.540 118.899 0.641 18715 5159 1 9 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.174 -0.079 18715 5160 1 9 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.186 -0.365 18715 5161 1 9 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.833 0.533 18715 5162 1 9 . 1 1 46 46 VAL H H 46 7.765 7.765 7.689 0.076 18715 5163 1 9 . 1 1 47 47 ASN N N 47 125.790 125.790 127.240 -1.450 18715 5164 1 9 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.772 -0.126 18715 5165 1 9 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.433 -1.436 18715 5166 1 9 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.073 1.013 18715 5167 1 9 . 1 1 47 47 ASN H H 47 8.399 8.399 8.916 -0.517 18715 5168 1 9 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.405 -0.183 18715 5169 1 9 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.706 -0.392 18715 5170 1 9 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.819 -0.079 18715 5171 1 9 . 1 1 49 49 GLY N N 49 108.290 108.290 107.436 0.854 18715 5172 1 9 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.067 0.463 18715 5173 1 9 . 1 1 49 49 GLY H H 49 8.620 8.620 8.354 0.266 18715 5174 1 9 . 1 1 50 50 LEU N N 50 121.728 121.728 119.838 1.890 18715 5175 1 9 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.296 -0.150 18715 5176 1 9 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.178 1.063 18715 5177 1 9 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.092 -0.529 18715 5178 1 9 . 1 1 50 50 LEU H H 50 7.765 7.765 7.370 0.395 18715 5179 1 9 . 1 1 51 51 LEU N N 51 112.040 112.040 118.318 -6.278 18715 5180 1 9 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.245 -0.007 18715 5181 1 9 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.465 0.042 18715 5182 1 9 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.475 0.015 18715 5183 1 9 . 1 1 51 51 LEU H H 51 7.412 7.412 7.463 -0.051 18715 5184 1 9 . 1 1 52 52 GLU N N 52 114.540 114.540 113.959 0.581 18715 5185 1 9 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.315 -0.260 18715 5186 1 9 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.512 2.872 18715 5187 1 9 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.087 1.971 18715 5188 1 9 . 1 1 52 52 GLU H H 52 7.500 7.500 7.491 0.009 18715 5189 1 9 . 1 1 53 53 THR N N 53 122.978 122.978 113.777 9.201 18715 5190 1 9 . 1 1 53 53 THR HA H 53 4.402 4.402 4.314 0.088 18715 5191 1 9 . 1 1 53 53 THR CA C 53 58.306 58.306 60.932 -2.626 18715 5192 1 9 . 1 1 53 53 THR CB C 53 73.222 73.222 70.595 2.627 18715 5193 1 9 . 1 1 53 53 THR H H 53 7.235 7.235 7.302 -0.067 18715 5194 1 9 . 1 1 54 54 SER N N 54 119.228 119.228 123.864 -4.636 18715 5195 1 9 . 1 1 54 54 SER HA H 54 4.043 4.043 4.234 -0.191 18715 5196 1 9 . 1 1 54 54 SER CA C 54 62.657 62.657 61.325 1.333 18715 5197 1 9 . 1 1 54 54 SER CB C 54 62.562 62.562 62.869 -0.307 18715 5198 1 9 . 1 1 54 54 SER H H 54 9.313 9.313 8.772 0.541 18715 5199 1 9 . 1 1 55 55 GLU N N 55 121.233 121.233 120.857 0.376 18715 5200 1 9 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.422 -0.353 18715 5201 1 9 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.317 1.358 18715 5202 1 9 . 1 1 55 55 GLU CB C 55 28.999 28.999 30.122 -1.123 18715 5203 1 9 . 1 1 55 55 GLU H H 55 8.975 8.975 7.613 1.362 18715 5204 1 9 . 1 1 56 56 GLY N N 56 110.790 110.790 108.271 2.519 18715 5205 1 9 . 1 1 56 56 GLY CA C 56 47.866 47.866 46.910 0.957 18715 5206 1 9 . 1 1 56 56 GLY H H 56 8.517 8.517 8.268 0.249 18715 5207 1 9 . 1 1 57 57 CYS N N 57 118.602 118.602 119.893 -1.291 18715 5208 1 9 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.184 -0.164 18715 5209 1 9 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.172 1.430 18715 5210 1 9 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.711 20.084 18715 5211 1 9 . 1 1 57 57 CYS H H 57 8.122 8.122 8.039 0.083 18715 5212 1 9 . 1 1 58 58 ARG N N 58 119.540 119.540 119.644 -0.104 18715 5213 1 9 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.748 -0.198 18715 5214 1 9 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.630 0.077 18715 5215 1 9 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.895 -0.446 18715 5216 1 9 . 1 1 58 58 ARG H H 58 8.488 8.488 7.854 0.634 18715 5217 1 9 . 1 1 59 59 GLN N N 59 119.852 119.852 117.643 2.209 18715 5218 1 9 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.100 -0.048 18715 5219 1 9 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.559 0.841 18715 5220 1 9 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.604 -0.370 18715 5221 1 9 . 1 1 59 59 GLN H H 59 8.016 8.016 7.553 0.463 18715 5222 1 9 . 1 1 60 60 ILE N N 60 120.790 120.790 119.681 1.109 18715 5223 1 9 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.755 -0.144 18715 5224 1 9 . 1 1 60 60 ILE CA C 60 65.590 65.590 64.690 0.900 18715 5225 1 9 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.081 -0.231 18715 5226 1 9 . 1 1 60 60 ILE H H 60 8.163 8.163 7.755 0.408 18715 5227 1 9 . 1 1 61 61 LEU N N 61 118.915 118.915 119.707 -0.792 18715 5228 1 9 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.090 -0.195 18715 5229 1 9 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.969 0.685 18715 5230 1 9 . 1 1 61 61 LEU CB C 61 40.776 40.776 40.884 -0.108 18715 5231 1 9 . 1 1 61 61 LEU H H 61 8.370 8.370 7.730 0.640 18715 5232 1 9 . 1 1 62 62 GLY N N 62 104.332 104.332 106.148 -1.816 18715 5233 1 9 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.907 0.277 18715 5234 1 9 . 1 1 62 62 GLY H H 62 7.883 7.883 7.907 -0.024 18715 5235 1 9 . 1 1 63 63 GLN N N 63 119.852 119.852 119.461 0.391 18715 5236 1 9 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.478 -0.326 18715 5237 1 9 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.063 0.931 18715 5238 1 9 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.334 -0.135 18715 5239 1 9 . 1 1 63 63 GLN H H 63 7.795 7.795 7.920 -0.125 18715 5240 1 9 . 1 1 64 64 LEU N N 64 117.040 117.040 121.264 -4.224 18715 5241 1 9 . 1 1 64 64 LEU HA H 64 4.281 4.281 3.951 0.330 18715 5242 1 9 . 1 1 64 64 LEU CA C 64 56.101 56.101 57.148 -1.047 18715 5243 1 9 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.910 2.333 18715 5244 1 9 . 1 1 64 64 LEU H H 64 8.252 8.252 7.838 0.414 18715 5245 1 9 . 1 1 65 65 GLN N N 65 118.915 118.915 119.474 -0.559 18715 5246 1 9 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.831 -0.052 18715 5247 1 9 . 1 1 65 65 GLN CA C 65 61.547 61.547 61.118 0.429 18715 5248 1 9 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.904 -1.040 18715 5249 1 9 . 1 1 65 65 GLN H H 65 8.104 8.104 8.484 -0.380 18715 5250 1 9 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.320 0.063 18715 5251 1 9 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.913 1.004 18715 5252 1 9 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.181 -0.082 18715 5253 1 9 . 1 1 67 67 SER N N 67 111.415 111.415 114.017 -2.602 18715 5254 1 9 . 1 1 67 67 SER HA H 67 4.493 4.493 4.311 0.182 18715 5255 1 9 . 1 1 67 67 SER CA C 67 59.696 59.696 60.683 -0.987 18715 5256 1 9 . 1 1 67 67 SER CB C 67 64.031 64.031 63.291 0.740 18715 5257 1 9 . 1 1 67 67 SER H H 67 7.824 7.824 7.414 0.410 18715 5258 1 9 . 1 1 68 68 LEU N N 68 121.102 121.102 121.830 -0.728 18715 5259 1 9 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.813 0.003 18715 5260 1 9 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.014 -0.066 18715 5261 1 9 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.278 0.491 18715 5262 1 9 . 1 1 68 68 LEU H H 68 7.647 7.647 7.988 -0.341 18715 5263 1 9 . 1 1 69 69 GLN N N 69 116.415 116.415 118.873 -2.458 18715 5264 1 9 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.035 0.034 18715 5265 1 9 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.322 0.148 18715 5266 1 9 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.016 -0.588 18715 5267 1 9 . 1 1 69 69 GLN H H 69 8.060 8.060 8.218 -0.158 18715 5268 1 9 . 1 1 70 70 THR N N 70 106.728 106.728 112.469 -5.741 18715 5269 1 9 . 1 1 70 70 THR HA H 70 4.481 4.481 4.542 -0.061 18715 5270 1 9 . 1 1 70 70 THR CA C 70 61.291 61.291 61.267 0.025 18715 5271 1 9 . 1 1 70 70 THR CB C 70 69.415 69.415 69.501 -0.086 18715 5272 1 9 . 1 1 70 70 THR H H 70 7.515 7.515 7.664 -0.149 18715 5273 1 9 . 1 1 71 71 GLY N N 71 109.540 109.540 109.953 -0.413 18715 5274 1 9 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.192 1.361 18715 5275 1 9 . 1 1 71 71 GLY H H 71 7.692 7.692 7.480 0.212 18715 5276 1 9 . 1 1 72 72 SER N N 72 114.540 114.540 113.817 0.723 18715 5277 1 9 . 1 1 72 72 SER HA H 72 4.625 4.625 4.642 -0.017 18715 5278 1 9 . 1 1 72 72 SER CA C 72 57.319 57.319 57.432 -0.113 18715 5279 1 9 . 1 1 72 72 SER CB C 72 64.599 64.599 65.936 -1.337 18715 5280 1 9 . 1 1 72 72 SER H H 72 8.045 8.045 7.960 0.085 18715 5281 1 9 . 1 1 73 73 GLU N N 73 124.228 124.228 121.530 2.698 18715 5282 1 9 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.010 0.077 18715 5283 1 9 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.829 -1.449 18715 5284 1 9 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.600 -0.298 18715 5285 1 9 . 1 1 73 73 GLU H H 73 9.092 9.092 8.963 0.129 18715 5286 1 9 . 1 1 74 74 GLU N N 74 120.165 120.165 118.525 1.640 18715 5287 1 9 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.263 0.026 18715 5288 1 9 . 1 1 74 74 GLU CA C 74 60.228 60.228 58.927 1.301 18715 5289 1 9 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.569 -0.107 18715 5290 1 9 . 1 1 74 74 GLU H H 74 8.665 8.665 8.444 0.221 18715 5291 1 9 . 1 1 75 75 LEU N N 75 121.415 121.415 120.832 0.583 18715 5292 1 9 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.202 -0.041 18715 5293 1 9 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.116 -0.163 18715 5294 1 9 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.127 -0.859 18715 5295 1 9 . 1 1 75 75 LEU H H 75 7.765 7.765 7.594 0.171 18715 5296 1 9 . 1 1 76 76 ARG N N 76 119.228 119.228 119.778 -0.550 18715 5297 1 9 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.921 0.013 18715 5298 1 9 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.365 -0.683 18715 5299 1 9 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.032 -0.835 18715 5300 1 9 . 1 1 76 76 ARG H H 76 7.868 7.868 8.585 -0.717 18715 5301 1 9 . 1 1 77 77 SER N N 77 114.228 114.228 115.503 -1.275 18715 5302 1 9 . 1 1 77 77 SER HA H 77 4.263 4.263 4.140 0.123 18715 5303 1 9 . 1 1 77 77 SER CA C 77 62.668 62.668 62.628 0.040 18715 5304 1 9 . 1 1 77 77 SER CB C 77 62.849 62.849 63.041 -0.192 18715 5305 1 9 . 1 1 77 77 SER H H 77 8.576 8.576 8.263 0.313 18715 5306 1 9 . 1 1 78 78 LEU N N 78 125.790 125.790 123.258 2.532 18715 5307 1 9 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.308 0.113 18715 5308 1 9 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.087 0.875 18715 5309 1 9 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.280 0.763 18715 5310 1 9 . 1 1 78 78 LEU H H 78 8.458 8.458 7.704 0.754 18715 5311 1 9 . 1 1 79 79 TYR N N 79 119.852 119.852 119.594 0.258 18715 5312 1 9 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.001 -0.340 18715 5313 1 9 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.186 0.616 18715 5314 1 9 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.184 1.010 18715 5315 1 9 . 1 1 79 79 TYR H H 79 8.694 8.694 8.589 0.105 18715 5316 1 9 . 1 1 80 80 ASN N N 80 117.040 117.040 117.747 -0.707 18715 5317 1 9 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.489 -0.205 18715 5318 1 9 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.654 -0.867 18715 5319 1 9 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.166 -0.327 18715 5320 1 9 . 1 1 80 80 ASN H H 80 8.871 8.871 8.414 0.457 18715 5321 1 9 . 1 1 81 81 THR N N 81 115.790 115.790 118.767 -2.977 18715 5322 1 9 . 1 1 81 81 THR HA H 81 3.945 3.945 4.306 -0.361 18715 5323 1 9 . 1 1 81 81 THR CA C 81 67.855 67.855 67.576 0.279 18715 5324 1 9 . 1 1 81 81 THR CB C 81 69.140 69.140 69.141 -0.001 18715 5325 1 9 . 1 1 81 81 THR H H 81 8.119 8.119 8.236 -0.117 18715 5326 1 9 . 1 1 82 82 ILE N N 82 121.102 121.102 121.135 -0.033 18715 5327 1 9 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.741 -0.073 18715 5328 1 9 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.631 -1.111 18715 5329 1 9 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.393 -0.907 18715 5330 1 9 . 1 1 82 82 ILE H H 82 8.090 8.090 8.697 -0.607 18715 5331 1 9 . 1 1 83 83 ALA N N 83 125.165 125.165 123.255 1.910 18715 5332 1 9 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.887 0.004 18715 5333 1 9 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.233 0.621 18715 5334 1 9 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.935 -0.087 18715 5335 1 9 . 1 1 83 83 ALA H H 83 8.782 8.782 7.431 1.351 18715 5336 1 9 . 1 1 84 84 VAL N N 84 117.665 117.665 119.258 -1.593 18715 5337 1 9 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.525 -0.197 18715 5338 1 9 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.358 1.107 18715 5339 1 9 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.279 -0.584 18715 5340 1 9 . 1 1 84 84 VAL H H 84 7.795 7.795 7.625 0.170 18715 5341 1 9 . 1 1 85 85 LEU N N 85 122.040 122.040 120.981 1.059 18715 5342 1 9 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.956 -0.141 18715 5343 1 9 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.527 -0.217 18715 5344 1 9 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.668 0.480 18715 5345 1 9 . 1 1 85 85 LEU H H 85 8.163 8.163 8.350 -0.187 18715 5346 1 9 . 1 1 86 86 TYR N N 86 118.915 118.915 119.942 -1.027 18715 5347 1 9 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.114 -0.202 18715 5348 1 9 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.797 1.021 18715 5349 1 9 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.194 0.093 18715 5350 1 9 . 1 1 86 86 TYR H H 86 9.062 9.062 8.198 0.864 18715 5351 1 9 . 1 1 87 87 CYS N N 87 116.102 116.102 117.038 -0.936 18715 5352 1 9 . 1 1 87 87 CYS HA H 87 3.794 3.794 4.087 -0.293 18715 5353 1 9 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.320 2.646 18715 5354 1 9 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.293 20.264 18715 5355 1 9 . 1 1 87 87 CYS H H 87 7.515 7.515 8.346 -0.831 18715 5356 1 9 . 1 1 88 88 VAL N N 88 119.978 119.978 121.180 -1.202 18715 5357 1 9 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.869 0.009 18715 5358 1 9 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.549 0.897 18715 5359 1 9 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.347 0.149 18715 5360 1 9 . 1 1 88 88 VAL H H 88 8.448 8.448 7.735 0.713 18715 5361 1 9 . 1 1 89 89 HIS N N 89 118.915 118.915 117.048 1.867 18715 5362 1 9 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.584 0.291 18715 5363 1 9 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.952 -0.832 18715 5364 1 9 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.426 -0.343 18715 5365 1 9 . 1 1 89 89 HIS H H 89 8.797 8.797 7.982 0.815 18715 5366 1 9 . 1 1 90 90 GLN N N 90 116.728 116.728 117.830 -1.102 18715 5367 1 9 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.043 0.342 18715 5368 1 9 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.821 -2.532 18715 5369 1 9 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.770 1.182 18715 5370 1 9 . 1 1 90 90 GLN H H 90 7.986 7.986 7.818 0.168 18715 5371 1 9 . 1 1 91 91 ARG N N 91 115.165 115.165 113.648 1.517 18715 5372 1 9 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.374 -0.361 18715 5373 1 9 . 1 1 91 91 ARG CA C 91 57.183 57.183 55.956 1.228 18715 5374 1 9 . 1 1 91 91 ARG CB C 91 26.049 26.049 30.883 -4.834 18715 5375 1 9 . 1 1 91 91 ARG H H 91 7.883 7.883 7.899 -0.016 18715 5376 1 9 . 1 1 92 92 ILE N N 92 120.087 120.087 124.438 -4.351 18715 5377 1 9 . 1 1 92 92 ILE HA H 92 3.985 3.985 3.998 -0.013 18715 5378 1 9 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.512 -1.856 18715 5379 1 9 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.319 0.612 18715 5380 1 9 . 1 1 92 92 ILE H H 92 8.335 8.335 7.959 0.376 18715 5381 1 9 . 1 1 93 93 ASP N N 93 129.228 129.228 126.640 2.588 18715 5382 1 9 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.787 -0.302 18715 5383 1 9 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.913 2.130 18715 5384 1 9 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.142 0.253 18715 5385 1 9 . 1 1 93 93 ASP H H 93 8.620 8.620 8.391 0.229 18715 5386 1 9 . 1 1 94 94 VAL N N 94 115.790 115.790 115.126 0.664 18715 5387 1 9 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.909 0.724 18715 5388 1 9 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.822 -3.702 18715 5389 1 9 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.198 3.314 18715 5390 1 9 . 1 1 94 94 VAL H H 94 7.751 7.751 7.397 0.354 18715 5391 1 9 . 1 1 95 95 LYS N N 95 118.915 118.915 119.097 -0.182 18715 5392 1 9 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.297 0.096 18715 5393 1 9 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.039 -1.368 18715 5394 1 9 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.265 0.743 18715 5395 1 9 . 1 1 95 95 LYS H H 95 9.239 9.239 8.805 0.435 18715 5396 1 9 . 1 1 96 96 ASP N N 96 112.040 112.040 113.237 -1.197 18715 5397 1 9 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.268 0.294 18715 5398 1 9 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.598 0.231 18715 5399 1 9 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.028 1.577 18715 5400 1 9 . 1 1 96 96 ASP H H 96 7.412 7.412 7.698 -0.286 18715 5401 1 9 . 1 1 97 97 THR N N 97 109.540 109.540 113.851 -4.311 18715 5402 1 9 . 1 1 97 97 THR HA H 97 3.661 3.661 3.996 -0.335 18715 5403 1 9 . 1 1 97 97 THR CA C 97 65.947 65.947 66.648 -0.701 18715 5404 1 9 . 1 1 97 97 THR CB C 97 70.285 70.285 68.932 1.353 18715 5405 1 9 . 1 1 97 97 THR H H 97 7.250 7.250 8.277 -1.027 18715 5406 1 9 . 1 1 98 98 LYS N N 98 121.102 121.102 123.049 -1.947 18715 5407 1 9 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.971 -0.026 18715 5408 1 9 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.084 -0.456 18715 5409 1 9 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.076 -0.149 18715 5410 1 9 . 1 1 98 98 LYS H H 98 7.868 7.868 8.093 -0.225 18715 5411 1 9 . 1 1 99 99 GLU N N 99 119.228 119.228 118.755 0.473 18715 5412 1 9 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.007 0.070 18715 5413 1 9 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.683 0.112 18715 5414 1 9 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.414 0.832 18715 5415 1 9 . 1 1 99 99 GLU H H 99 8.384 8.384 8.826 -0.442 18715 5416 1 9 . 1 1 100 100 ALA N N 100 118.915 118.915 121.564 -2.649 18715 5417 1 9 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.162 0.224 18715 5418 1 9 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.860 0.536 18715 5419 1 9 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.592 1.167 18715 5420 1 9 . 1 1 100 100 ALA H H 100 7.382 7.382 7.595 -0.213 18715 5421 1 9 . 1 1 101 101 LEU N N 101 117.978 117.978 119.429 -1.451 18715 5422 1 9 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.092 -0.072 18715 5423 1 9 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.657 0.318 18715 5424 1 9 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.024 0.469 18715 5425 1 9 . 1 1 101 101 LEU H H 101 8.119 8.119 7.875 0.244 18715 5426 1 9 . 1 1 102 102 ASP N N 102 120.478 120.478 120.180 0.298 18715 5427 1 9 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.355 0.012 18715 5428 1 9 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.587 -0.235 18715 5429 1 9 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.742 -1.020 18715 5430 1 9 . 1 1 102 102 ASP H H 102 8.679 8.679 8.057 0.622 18715 5431 1 9 . 1 1 103 103 LYS N N 103 120.165 120.165 119.743 0.422 18715 5432 1 9 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.069 0.095 18715 5433 1 9 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.595 -1.231 18715 5434 1 9 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.475 -0.943 18715 5435 1 9 . 1 1 103 103 LYS H H 103 8.207 8.207 7.802 0.405 18715 5436 1 9 . 1 1 104 104 ILE N N 104 119.852 119.852 119.334 0.518 18715 5437 1 9 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.783 0.027 18715 5438 1 9 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.997 -0.389 18715 5439 1 9 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.029 -0.595 18715 5440 1 9 . 1 1 104 104 ILE H H 104 8.163 8.163 7.618 0.545 18715 5441 1 9 . 1 1 105 105 GLU N N 105 121.415 121.415 121.032 0.383 18715 5442 1 9 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.991 0.044 18715 5443 1 9 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.327 0.307 18715 5444 1 9 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.113 3.643 18715 5445 1 9 . 1 1 105 105 GLU H H 105 8.001 8.001 8.412 -0.411 18715 5446 1 9 . 1 1 106 106 GLU N N 106 119.228 119.228 118.662 0.566 18715 5447 1 9 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.007 0.083 18715 5448 1 9 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.579 -0.312 18715 5449 1 9 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.337 0.260 18715 5450 1 9 . 1 1 106 106 GLU H H 106 8.031 8.031 8.426 -0.395 18715 5451 1 9 . 1 1 107 107 GLU N N 107 118.915 118.915 119.479 -0.564 18715 5452 1 9 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.029 0.044 18715 5453 1 9 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.148 0.193 18715 5454 1 9 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.705 0.165 18715 5455 1 9 . 1 1 107 107 GLU H H 107 8.016 8.016 7.565 0.451 18715 5456 1 9 . 1 1 108 108 GLN N N 108 118.290 118.290 119.338 -1.048 18715 5457 1 9 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.055 0.092 18715 5458 1 9 . 1 1 108 108 GLN CA C 108 58.407 58.407 59.204 -0.797 18715 5459 1 9 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.720 0.125 18715 5460 1 9 . 1 1 108 108 GLN H H 108 8.252 8.252 7.886 0.366 18715 5461 1 9 . 1 1 109 109 ASN N N 109 118.290 118.290 118.908 -0.618 18715 5462 1 9 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.391 0.226 18715 5463 1 9 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.750 -1.868 18715 5464 1 9 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.424 0.101 18715 5465 1 9 . 1 1 109 109 ASN H H 109 8.252 8.252 8.192 0.060 18715 5466 1 9 . 1 1 110 110 LYS N N 110 120.478 120.478 119.804 0.674 18715 5467 1 9 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.983 0.247 18715 5468 1 9 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.465 -1.154 18715 5469 1 9 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.486 0.205 18715 5470 1 9 . 1 1 110 110 LYS H H 110 8.031 8.031 8.031 0.000 18715 5471 1 9 . 1 1 111 111 SER N N 111 114.540 114.540 115.365 -0.825 18715 5472 1 9 . 1 1 111 111 SER HA H 111 4.368 4.368 4.214 0.154 18715 5473 1 9 . 1 1 111 111 SER CA C 111 59.764 59.764 61.605 -1.841 18715 5474 1 9 . 1 1 111 111 SER CB C 111 63.442 63.442 63.097 0.345 18715 5475 1 9 . 1 1 111 111 SER H H 111 8.031 8.031 7.747 0.284 18715 5476 1 9 . 1 1 112 112 LYS N N 112 122.040 122.040 121.294 0.746 18715 5477 1 9 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.059 0.186 18715 5478 1 9 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.514 -1.185 18715 5479 1 9 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.242 0.533 18715 5480 1 9 . 1 1 112 112 LYS H H 112 7.957 7.957 7.396 0.561 18715 5481 1 9 . 1 1 113 113 LYS N N 113 120.790 120.790 119.031 1.759 18715 5482 1 9 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.022 0.128 18715 5483 1 9 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.983 -0.849 18715 5484 1 9 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.222 0.544 18715 5485 1 9 . 1 1 113 113 LYS H H 113 8.016 8.016 7.673 0.343 18715 5486 1 9 . 1 1 114 114 LYS N N 114 121.728 121.728 116.730 4.998 18715 5487 1 9 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.034 0.230 18715 5488 1 9 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.065 -1.880 18715 5489 1 9 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.323 0.534 18715 5490 1 9 . 1 1 114 114 LYS H H 114 8.119 8.119 7.896 0.223 18715 5491 1 9 . 1 1 115 115 ALA N N 115 124.228 124.228 119.447 4.781 18715 5492 1 9 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.520 -0.252 18715 5493 1 9 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.724 1.310 18715 5494 1 9 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.390 0.648 18715 5495 1 9 . 1 1 115 115 ALA H H 115 8.178 8.178 7.551 0.627 18715 5496 1 9 . 1 1 116 116 GLN N N 116 119.228 119.228 115.672 3.556 18715 5497 1 9 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.423 -0.175 18715 5498 1 9 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.768 0.781 18715 5499 1 9 . 1 1 116 116 GLN H H 116 8.237 8.237 8.087 0.150 18715 5500 1 9 . 1 1 117 117 GLN N N 117 120.478 120.478 122.285 -1.807 18715 5501 1 9 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.041 0.228 18715 5502 1 9 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.516 -2.192 18715 5503 1 9 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.949 0.657 18715 5504 1 9 . 1 1 117 117 GLN H H 117 8.266 8.266 8.287 -0.021 18715 5505 1 9 . 1 1 118 118 ALA N N 118 124.852 124.852 119.044 5.808 18715 5506 1 9 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.571 -0.295 18715 5507 1 9 . 1 1 118 118 ALA CA C 118 52.837 52.837 51.623 1.214 18715 5508 1 9 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.115 0.947 18715 5509 1 9 . 1 1 118 118 ALA H H 118 8.266 8.266 8.225 0.041 18715 5510 1 9 . 1 1 119 119 ALA N N 119 122.978 122.978 120.509 2.469 18715 5511 1 9 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.550 -0.256 18715 5512 1 9 . 1 1 119 119 ALA CA C 119 52.637 52.637 53.007 -0.370 18715 5513 1 9 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.011 0.191 18715 5514 1 9 . 1 1 119 119 ALA H H 119 8.163 8.163 7.639 0.524 18715 5515 1 9 . 1 1 120 120 ALA N N 120 122.665 122.665 122.135 0.530 18715 5516 1 9 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.246 0.031 18715 5517 1 9 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.183 -0.447 18715 5518 1 9 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.747 -0.580 18715 5519 1 9 . 1 1 120 120 ALA H H 120 8.163 8.163 7.980 0.183 18715 5520 1 9 . 1 1 121 121 ASP N N 121 119.228 119.228 119.491 -0.263 18715 5521 1 9 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.527 0.155 18715 5522 1 9 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.156 -0.892 18715 5523 1 9 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.467 -0.339 18715 5524 1 9 . 1 1 121 121 ASP H H 121 8.252 8.252 8.687 -0.435 18715 5525 1 9 . 1 1 122 122 THR N N 122 113.602 113.602 110.691 2.911 18715 5526 1 9 . 1 1 122 122 THR HA H 122 4.358 4.358 4.078 0.280 18715 5527 1 9 . 1 1 122 122 THR CA C 122 61.971 61.971 62.826 -0.855 18715 5528 1 9 . 1 1 122 122 THR CB C 122 69.586 69.586 68.952 0.634 18715 5529 1 9 . 1 1 122 122 THR H H 122 8.075 8.075 7.824 0.251 18715 5530 1 9 . 1 1 123 123 GLY N N 123 110.478 110.478 109.805 0.673 18715 5531 1 9 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.039 0.564 18715 5532 1 9 . 1 1 123 123 GLY H H 123 8.414 8.414 8.526 -0.112 18715 5533 1 9 . 1 1 124 124 ASN N N 124 118.602 118.602 119.680 -1.078 18715 5534 1 9 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.732 -0.124 18715 5535 1 9 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.264 2.469 18715 5536 1 9 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.187 -0.649 18715 5537 1 9 . 1 1 124 124 ASN H H 124 8.266 8.266 8.325 -0.059 18715 5538 1 9 . 1 1 125 125 ASN N N 125 119.228 119.228 119.343 -0.115 18715 5539 1 9 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.555 0.169 18715 5540 1 9 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.230 0.223 18715 5541 1 9 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.063 -0.250 18715 5542 1 9 . 1 1 125 125 ASN H H 125 8.443 8.443 8.414 0.029 18715 5543 1 9 . 1 1 126 126 SER N N 126 115.790 115.790 115.234 0.556 18715 5544 1 9 . 1 1 126 126 SER HA H 126 4.388 4.388 4.435 -0.047 18715 5545 1 9 . 1 1 126 126 SER CA C 126 58.851 58.851 58.580 0.271 18715 5546 1 9 . 1 1 126 126 SER CB C 126 63.926 63.926 63.725 0.201 18715 5547 1 9 . 1 1 126 126 SER H H 126 8.266 8.266 8.347 -0.081 18715 5548 1 9 . 1 1 127 127 GLN N N 127 121.728 121.728 122.133 -0.405 18715 5549 1 9 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.500 -0.177 18715 5550 1 9 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.460 0.763 18715 5551 1 9 . 1 1 127 127 GLN CB C 127 29.168 29.168 31.461 -2.293 18715 5552 1 9 . 1 1 127 127 GLN H H 127 8.355 8.355 8.439 -0.084 18715 5553 1 9 . 1 1 128 128 VAL N N 128 119.852 119.852 121.419 -1.567 18715 5554 1 9 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.294 -0.185 18715 5555 1 9 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.785 0.880 18715 5556 1 9 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.701 0.068 18715 5557 1 9 . 1 1 128 128 VAL H H 128 7.986 7.986 8.160 -0.174 18715 5558 1 9 . 1 1 129 129 SER N N 129 117.978 117.978 123.164 -5.186 18715 5559 1 9 . 1 1 129 129 SER HA H 129 4.136 4.136 4.748 -0.612 18715 5560 1 9 . 1 1 129 129 SER CA C 129 58.404 58.404 58.035 0.369 18715 5561 1 9 . 1 1 129 129 SER CB C 129 63.755 63.755 63.724 0.031 18715 5562 1 9 . 1 1 129 129 SER H H 129 8.252 8.252 8.498 -0.246 18715 5563 1 9 . 1 1 130 130 GLN N N 130 121.728 121.728 125.106 -3.378 18715 5564 1 9 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.604 -0.249 18715 5565 1 9 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.374 0.776 18715 5566 1 9 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.976 -0.603 18715 5567 1 9 . 1 1 130 130 GLN H H 130 8.355 8.355 8.390 -0.035 18715 5568 1 9 . 1 1 131 131 ASN N N 131 118.290 118.290 118.009 0.281 18715 5569 1 9 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.100 -0.468 18715 5570 1 9 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.606 -0.038 18715 5571 1 9 . 1 1 131 131 ASN H H 131 8.252 8.252 8.646 -0.394 18715 5572 1 10 . 1 1 3 3 ALA N N 3 123.842 123.842 122.538 1.304 18715 5573 1 10 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.127 0.201 18715 5574 1 10 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.987 0.550 18715 5575 1 10 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.305 -2.054 18715 5576 1 10 . 1 1 3 3 ALA H H 3 8.183 8.183 7.897 0.286 18715 5577 1 10 . 1 1 4 4 ARG N N 4 120.165 120.165 121.800 -1.635 18715 5578 1 10 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.292 -0.036 18715 5579 1 10 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.089 -0.124 18715 5580 1 10 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.009 1.952 18715 5581 1 10 . 1 1 4 4 ARG H H 4 8.429 8.429 8.411 0.018 18715 5582 1 10 . 1 1 5 5 ALA N N 5 125.165 125.165 123.271 1.894 18715 5583 1 10 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.747 -0.465 18715 5584 1 10 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.764 0.607 18715 5585 1 10 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.792 -0.120 18715 5586 1 10 . 1 1 5 5 ALA H H 5 8.370 8.370 7.591 0.779 18715 5587 1 10 . 1 1 6 6 SER N N 6 114.540 114.540 115.104 -0.564 18715 5588 1 10 . 1 1 6 6 SER HA H 6 4.479 4.479 4.467 0.012 18715 5589 1 10 . 1 1 6 6 SER CA C 6 57.804 57.804 56.973 0.831 18715 5590 1 10 . 1 1 6 6 SER CB C 6 64.034 64.034 64.933 -0.899 18715 5591 1 10 . 1 1 6 6 SER H H 6 8.134 8.134 7.537 0.597 18715 5592 1 10 . 1 1 7 7 VAL N N 7 121.415 121.415 118.912 2.503 18715 5593 1 10 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.084 -0.467 18715 5594 1 10 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.118 2.592 18715 5595 1 10 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.843 0.094 18715 5596 1 10 . 1 1 7 7 VAL H H 7 8.119 8.119 8.207 -0.088 18715 5597 1 10 . 1 1 8 8 LEU N N 8 115.478 115.478 118.052 -2.574 18715 5598 1 10 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.604 0.328 18715 5599 1 10 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.450 -0.943 18715 5600 1 10 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.450 0.853 18715 5601 1 10 . 1 1 8 8 LEU H H 8 7.382 7.382 7.605 -0.223 18715 5602 1 10 . 1 1 9 9 SER N N 9 118.290 118.290 118.048 0.242 18715 5603 1 10 . 1 1 9 9 SER HA H 9 4.606 4.606 4.542 0.064 18715 5604 1 10 . 1 1 9 9 SER CA C 9 57.197 57.197 57.430 -0.233 18715 5605 1 10 . 1 1 9 9 SER CB C 9 65.426 65.426 65.098 0.328 18715 5606 1 10 . 1 1 9 9 SER H H 9 9.166 9.166 8.773 0.393 18715 5607 1 10 . 1 1 10 10 GLY N N 10 109.228 109.228 108.612 0.616 18715 5608 1 10 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.976 0.698 18715 5609 1 10 . 1 1 10 10 GLY H H 10 8.959 8.959 8.647 0.312 18715 5610 1 10 . 1 1 11 11 GLY N N 11 111.102 111.102 109.756 1.346 18715 5611 1 10 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.386 0.275 18715 5612 1 10 . 1 1 11 11 GLY H H 11 8.782 8.782 7.804 0.978 18715 5613 1 10 . 1 1 12 12 GLU N N 12 120.165 120.165 122.037 -1.872 18715 5614 1 10 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.108 -0.158 18715 5615 1 10 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.444 0.652 18715 5616 1 10 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.529 1.761 18715 5617 1 10 . 1 1 12 12 GLU H H 12 7.751 7.751 7.599 0.152 18715 5618 1 10 . 1 1 13 13 LEU N N 13 121.415 121.415 121.750 -0.335 18715 5619 1 10 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.036 0.072 18715 5620 1 10 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.358 -0.296 18715 5621 1 10 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.822 -0.886 18715 5622 1 10 . 1 1 13 13 LEU H H 13 8.340 8.340 8.295 0.045 18715 5623 1 10 . 1 1 14 14 ASP N N 14 116.415 116.415 119.336 -2.921 18715 5624 1 10 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.355 0.038 18715 5625 1 10 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.807 -0.671 18715 5626 1 10 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.876 0.210 18715 5627 1 10 . 1 1 14 14 ASP H H 14 7.574 7.574 7.715 -0.141 18715 5628 1 10 . 1 1 15 15 LYS N N 15 115.478 115.478 119.171 -3.693 18715 5629 1 10 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.120 -0.074 18715 5630 1 10 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.560 -0.158 18715 5631 1 10 . 1 1 15 15 LYS CB C 15 32.359 32.359 31.928 0.431 18715 5632 1 10 . 1 1 15 15 LYS H H 15 7.117 7.117 7.530 -0.413 18715 5633 1 10 . 1 1 16 16 TRP N N 16 121.693 121.693 121.496 0.197 18715 5634 1 10 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.122 -0.097 18715 5635 1 10 . 1 1 16 16 TRP CA C 16 60.286 60.286 61.023 -0.737 18715 5636 1 10 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.321 1.792 18715 5637 1 10 . 1 1 16 16 TRP H H 16 8.646 8.646 8.601 0.045 18715 5638 1 10 . 1 1 17 17 GLU N N 17 127.710 127.710 115.703 12.007 18715 5639 1 10 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.372 0.319 18715 5640 1 10 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.574 -1.805 18715 5641 1 10 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.486 0.259 18715 5642 1 10 . 1 1 17 17 GLU H H 17 7.571 7.571 7.886 -0.315 18715 5643 1 10 . 1 1 18 18 LYS N N 18 115.790 115.790 118.715 -2.925 18715 5644 1 10 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.168 0.329 18715 5645 1 10 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.263 -1.694 18715 5646 1 10 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.325 0.614 18715 5647 1 10 . 1 1 18 18 LYS H H 18 7.456 7.456 7.575 -0.119 18715 5648 1 10 . 1 1 19 19 ILE N N 19 124.228 124.228 121.085 3.143 18715 5649 1 10 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.867 -0.310 18715 5650 1 10 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.387 -0.267 18715 5651 1 10 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.475 0.707 18715 5652 1 10 . 1 1 19 19 ILE H H 19 7.633 7.633 8.030 -0.397 18715 5653 1 10 . 1 1 20 20 ARG N N 20 125.790 125.790 124.897 0.893 18715 5654 1 10 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.561 -0.133 18715 5655 1 10 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.805 1.690 18715 5656 1 10 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.626 -0.089 18715 5657 1 10 . 1 1 20 20 ARG H H 20 8.031 8.031 8.653 -0.622 18715 5658 1 10 . 1 1 21 21 LEU N N 21 120.165 120.165 119.356 0.809 18715 5659 1 10 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.862 -0.416 18715 5660 1 10 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.450 1.785 18715 5661 1 10 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.138 -0.603 18715 5662 1 10 . 1 1 21 21 LEU H H 21 7.810 7.810 7.695 0.115 18715 5663 1 10 . 1 1 22 22 ARG N N 22 119.540 119.540 115.397 4.143 18715 5664 1 10 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.646 0.199 18715 5665 1 10 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.566 -0.722 18715 5666 1 10 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.195 -0.578 18715 5667 1 10 . 1 1 22 22 ARG H H 22 8.974 8.974 7.644 1.330 18715 5668 1 10 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.542 -0.182 18715 5669 1 10 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.195 -0.759 18715 5670 1 10 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.192 -0.627 18715 5671 1 10 . 1 1 24 24 GLY N N 24 112.665 112.665 108.540 4.125 18715 5672 1 10 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.376 1.429 18715 5673 1 10 . 1 1 24 24 GLY H H 24 9.138 9.138 8.075 1.063 18715 5674 1 10 . 1 1 25 25 GLY N N 25 107.978 107.978 107.474 0.504 18715 5675 1 10 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.959 -0.387 18715 5676 1 10 . 1 1 25 25 GLY H H 25 8.134 8.134 7.453 0.681 18715 5677 1 10 . 1 1 26 26 LYS N N 26 117.665 117.665 119.099 -1.434 18715 5678 1 10 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.496 -0.232 18715 5679 1 10 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.092 0.761 18715 5680 1 10 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.282 0.774 18715 5681 1 10 . 1 1 26 26 LYS H H 26 8.665 8.665 8.471 0.194 18715 5682 1 10 . 1 1 27 27 LYS N N 27 117.925 117.925 119.866 -1.941 18715 5683 1 10 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.522 -0.211 18715 5684 1 10 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.381 1.830 18715 5685 1 10 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.541 -0.663 18715 5686 1 10 . 1 1 27 27 LYS H H 27 7.817 7.817 7.870 -0.053 18715 5687 1 10 . 1 1 28 28 GLN N N 28 122.978 122.978 119.668 3.310 18715 5688 1 10 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.529 0.287 18715 5689 1 10 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.687 -0.214 18715 5690 1 10 . 1 1 28 28 GLN CB C 28 34.054 34.054 31.235 2.819 18715 5691 1 10 . 1 1 28 28 GLN H H 28 8.458 8.458 8.313 0.145 18715 5692 1 10 . 1 1 29 29 TYR N N 29 119.540 119.540 119.171 0.369 18715 5693 1 10 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.404 -0.672 18715 5694 1 10 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.807 1.203 18715 5695 1 10 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.434 -2.218 18715 5696 1 10 . 1 1 29 29 TYR H H 29 7.824 7.824 8.367 -0.543 18715 5697 1 10 . 1 1 30 30 LYS N N 30 117.978 117.978 120.629 -2.651 18715 5698 1 10 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.852 0.364 18715 5699 1 10 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.207 -1.142 18715 5700 1 10 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.164 2.424 18715 5701 1 10 . 1 1 30 30 LYS H H 30 10.610 10.610 9.142 1.468 18715 5702 1 10 . 1 1 31 31 LEU N N 31 128.602 128.602 125.215 3.387 18715 5703 1 10 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.150 0.031 18715 5704 1 10 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.975 1.259 18715 5705 1 10 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.765 -0.763 18715 5706 1 10 . 1 1 31 31 LEU H H 31 9.991 9.991 8.791 1.200 18715 5707 1 10 . 1 1 32 32 LYS N N 32 115.165 115.165 118.645 -3.480 18715 5708 1 10 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.928 0.217 18715 5709 1 10 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.417 -0.320 18715 5710 1 10 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.861 -0.302 18715 5711 1 10 . 1 1 32 32 LYS H H 32 8.399 8.399 8.627 -0.228 18715 5712 1 10 . 1 1 33 33 HIS N N 33 119.540 119.540 117.138 2.402 18715 5713 1 10 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.722 -0.118 18715 5714 1 10 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.479 3.412 18715 5715 1 10 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.624 2.160 18715 5716 1 10 . 1 1 33 33 HIS H H 33 8.193 8.193 7.897 0.296 18715 5717 1 10 . 1 1 34 34 ILE N N 34 119.540 119.540 120.883 -1.343 18715 5718 1 10 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.768 0.026 18715 5719 1 10 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.186 -1.338 18715 5720 1 10 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.816 -0.837 18715 5721 1 10 . 1 1 34 34 ILE H H 34 7.898 7.898 7.602 0.296 18715 5722 1 10 . 1 1 35 35 VAL N N 35 122.040 122.040 119.372 2.668 18715 5723 1 10 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.724 -0.112 18715 5724 1 10 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.705 0.041 18715 5725 1 10 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.849 0.293 18715 5726 1 10 . 1 1 35 35 VAL H H 35 7.706 7.706 8.562 -0.856 18715 5727 1 10 . 1 1 36 36 TRP N N 36 119.986 119.986 122.412 -2.426 18715 5728 1 10 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.231 0.002 18715 5729 1 10 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.913 0.198 18715 5730 1 10 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.437 -1.025 18715 5731 1 10 . 1 1 36 36 TRP H H 36 8.452 8.452 7.993 0.459 18715 5732 1 10 . 1 1 37 37 ALA N N 37 120.478 120.478 119.630 0.848 18715 5733 1 10 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.706 -0.316 18715 5734 1 10 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.249 -0.136 18715 5735 1 10 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.320 -0.890 18715 5736 1 10 . 1 1 37 37 ALA H H 37 8.311 8.311 8.349 -0.038 18715 5737 1 10 . 1 1 38 38 SER N N 38 111.415 111.415 114.121 -2.706 18715 5738 1 10 . 1 1 38 38 SER HA H 38 3.906 3.906 4.089 -0.183 18715 5739 1 10 . 1 1 38 38 SER CA C 38 62.801 62.801 61.008 1.793 18715 5740 1 10 . 1 1 38 38 SER CB C 38 62.829 62.829 63.018 -0.189 18715 5741 1 10 . 1 1 38 38 SER H H 38 8.259 8.259 7.506 0.753 18715 5742 1 10 . 1 1 39 39 ARG N N 39 119.852 119.852 120.947 -1.095 18715 5743 1 10 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.082 0.064 18715 5744 1 10 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.777 -0.367 18715 5745 1 10 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.958 0.050 18715 5746 1 10 . 1 1 39 39 ARG H H 39 7.559 7.559 7.928 -0.369 18715 5747 1 10 . 1 1 40 40 GLU N N 40 121.102 121.102 118.831 2.271 18715 5748 1 10 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.909 -0.122 18715 5749 1 10 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.606 0.675 18715 5750 1 10 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.012 0.662 18715 5751 1 10 . 1 1 40 40 GLU H H 40 8.222 8.222 7.823 0.399 18715 5752 1 10 . 1 1 41 41 LEU N N 41 117.040 117.040 121.096 -4.056 18715 5753 1 10 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.123 -0.170 18715 5754 1 10 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.869 0.454 18715 5755 1 10 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.096 -1.916 18715 5756 1 10 . 1 1 41 41 LEU H H 41 8.016 8.016 7.899 0.117 18715 5757 1 10 . 1 1 42 42 GLU N N 42 117.352 117.352 118.316 -0.964 18715 5758 1 10 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.015 0.112 18715 5759 1 10 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.070 0.501 18715 5760 1 10 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.267 0.398 18715 5761 1 10 . 1 1 42 42 GLU H H 42 7.559 7.559 7.732 -0.173 18715 5762 1 10 . 1 1 43 43 ARG N N 43 119.540 119.540 118.668 0.872 18715 5763 1 10 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.021 0.021 18715 5764 1 10 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.209 0.281 18715 5765 1 10 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.189 -0.524 18715 5766 1 10 . 1 1 43 43 ARG H H 43 7.647 7.647 7.348 0.299 18715 5767 1 10 . 1 1 44 44 PHE N N 44 117.665 117.665 118.436 -0.771 18715 5768 1 10 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.619 -0.005 18715 5769 1 10 . 1 1 44 44 PHE CA C 44 57.358 57.358 57.096 0.262 18715 5770 1 10 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.220 0.946 18715 5771 1 10 . 1 1 44 44 PHE H H 44 7.529 7.529 7.682 -0.153 18715 5772 1 10 . 1 1 45 45 ALA N N 45 118.915 118.915 120.037 -1.122 18715 5773 1 10 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.940 0.075 18715 5774 1 10 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.371 0.043 18715 5775 1 10 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.023 -0.744 18715 5776 1 10 . 1 1 45 45 ALA H H 45 7.928 7.928 7.721 0.207 18715 5777 1 10 . 1 1 46 46 VAL N N 46 119.540 119.540 118.622 0.918 18715 5778 1 10 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.148 -0.053 18715 5779 1 10 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.257 -0.436 18715 5780 1 10 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.611 0.756 18715 5781 1 10 . 1 1 46 46 VAL H H 46 7.765 7.765 7.728 0.037 18715 5782 1 10 . 1 1 47 47 ASN N N 47 125.790 125.790 127.150 -1.360 18715 5783 1 10 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.740 -0.094 18715 5784 1 10 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.836 -1.839 18715 5785 1 10 . 1 1 47 47 ASN CB C 47 39.086 39.086 39.487 -0.402 18715 5786 1 10 . 1 1 47 47 ASN H H 47 8.399 8.399 8.891 -0.492 18715 5787 1 10 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.457 -0.235 18715 5788 1 10 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.219 0.095 18715 5789 1 10 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.719 0.021 18715 5790 1 10 . 1 1 49 49 GLY N N 49 108.290 108.290 107.639 0.651 18715 5791 1 10 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.011 0.519 18715 5792 1 10 . 1 1 49 49 GLY H H 49 8.620 8.620 8.106 0.514 18715 5793 1 10 . 1 1 50 50 LEU N N 50 121.728 121.728 119.843 1.885 18715 5794 1 10 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.296 -0.150 18715 5795 1 10 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.189 1.052 18715 5796 1 10 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.096 -0.534 18715 5797 1 10 . 1 1 50 50 LEU H H 50 7.765 7.765 7.372 0.393 18715 5798 1 10 . 1 1 51 51 LEU N N 51 112.040 112.040 118.284 -6.244 18715 5799 1 10 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.242 -0.004 18715 5800 1 10 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.460 0.047 18715 5801 1 10 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.498 -0.008 18715 5802 1 10 . 1 1 51 51 LEU H H 51 7.412 7.412 7.449 -0.037 18715 5803 1 10 . 1 1 52 52 GLU N N 52 114.540 114.540 113.892 0.648 18715 5804 1 10 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.278 -0.223 18715 5805 1 10 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.532 2.852 18715 5806 1 10 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.070 1.988 18715 5807 1 10 . 1 1 52 52 GLU H H 52 7.500 7.500 7.484 0.016 18715 5808 1 10 . 1 1 53 53 THR N N 53 122.978 122.978 113.704 9.274 18715 5809 1 10 . 1 1 53 53 THR HA H 53 4.402 4.402 4.334 0.068 18715 5810 1 10 . 1 1 53 53 THR CA C 53 58.306 58.306 60.710 -2.404 18715 5811 1 10 . 1 1 53 53 THR CB C 53 73.222 73.222 70.797 2.425 18715 5812 1 10 . 1 1 53 53 THR H H 53 7.235 7.235 7.347 -0.112 18715 5813 1 10 . 1 1 54 54 SER N N 54 119.228 119.228 123.788 -4.560 18715 5814 1 10 . 1 1 54 54 SER HA H 54 4.043 4.043 4.221 -0.178 18715 5815 1 10 . 1 1 54 54 SER CA C 54 62.657 62.657 61.161 1.496 18715 5816 1 10 . 1 1 54 54 SER CB C 54 62.562 62.562 62.948 -0.386 18715 5817 1 10 . 1 1 54 54 SER H H 54 9.313 9.313 8.797 0.516 18715 5818 1 10 . 1 1 55 55 GLU N N 55 121.233 121.233 120.594 0.639 18715 5819 1 10 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.388 -0.319 18715 5820 1 10 . 1 1 55 55 GLU CA C 55 59.675 59.675 57.966 1.709 18715 5821 1 10 . 1 1 55 55 GLU CB C 55 28.999 28.999 30.005 -1.006 18715 5822 1 10 . 1 1 55 55 GLU H H 55 8.975 8.975 7.595 1.380 18715 5823 1 10 . 1 1 56 56 GLY N N 56 110.790 110.790 108.172 2.618 18715 5824 1 10 . 1 1 56 56 GLY CA C 56 47.866 47.866 46.975 0.891 18715 5825 1 10 . 1 1 56 56 GLY H H 56 8.517 8.517 8.208 0.309 18715 5826 1 10 . 1 1 57 57 CYS N N 57 118.602 118.602 119.906 -1.304 18715 5827 1 10 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.216 -0.196 18715 5828 1 10 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.835 0.767 18715 5829 1 10 . 1 1 57 57 CYS CB C 57 47.795 47.795 28.078 19.717 18715 5830 1 10 . 1 1 57 57 CYS H H 57 8.122 8.122 8.062 0.060 18715 5831 1 10 . 1 1 58 58 ARG N N 58 119.540 119.540 119.619 -0.079 18715 5832 1 10 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.744 -0.194 18715 5833 1 10 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.650 0.057 18715 5834 1 10 . 1 1 58 58 ARG CB C 58 29.449 29.449 30.067 -0.618 18715 5835 1 10 . 1 1 58 58 ARG H H 58 8.488 8.488 7.861 0.627 18715 5836 1 10 . 1 1 59 59 GLN N N 59 119.852 119.852 117.717 2.135 18715 5837 1 10 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.082 -0.030 18715 5838 1 10 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.718 0.682 18715 5839 1 10 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.435 -0.201 18715 5840 1 10 . 1 1 59 59 GLN H H 59 8.016 8.016 7.642 0.374 18715 5841 1 10 . 1 1 60 60 ILE N N 60 120.790 120.790 119.531 1.259 18715 5842 1 10 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.756 -0.145 18715 5843 1 10 . 1 1 60 60 ILE CA C 60 65.590 65.590 64.808 0.782 18715 5844 1 10 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.189 -0.339 18715 5845 1 10 . 1 1 60 60 ILE H H 60 8.163 8.163 7.766 0.397 18715 5846 1 10 . 1 1 61 61 LEU N N 61 118.915 118.915 119.721 -0.806 18715 5847 1 10 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.116 -0.221 18715 5848 1 10 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.879 0.775 18715 5849 1 10 . 1 1 61 61 LEU CB C 61 40.776 40.776 40.894 -0.118 18715 5850 1 10 . 1 1 61 61 LEU H H 61 8.370 8.370 7.805 0.565 18715 5851 1 10 . 1 1 62 62 GLY N N 62 104.332 104.332 105.598 -1.266 18715 5852 1 10 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.473 0.711 18715 5853 1 10 . 1 1 62 62 GLY H H 62 7.883 7.883 7.834 0.049 18715 5854 1 10 . 1 1 63 63 GLN N N 63 119.852 119.852 118.173 1.679 18715 5855 1 10 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.368 -0.216 18715 5856 1 10 . 1 1 63 63 GLN CA C 63 57.994 57.994 56.938 1.056 18715 5857 1 10 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.919 -0.720 18715 5858 1 10 . 1 1 63 63 GLN H H 63 7.795 7.795 7.891 -0.096 18715 5859 1 10 . 1 1 64 64 LEU N N 64 117.040 117.040 118.612 -1.572 18715 5860 1 10 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.174 0.107 18715 5861 1 10 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.057 0.044 18715 5862 1 10 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.037 2.206 18715 5863 1 10 . 1 1 64 64 LEU H H 64 8.252 8.252 7.457 0.795 18715 5864 1 10 . 1 1 65 65 GLN N N 65 118.915 118.915 117.857 1.058 18715 5865 1 10 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.948 -0.169 18715 5866 1 10 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.605 1.942 18715 5867 1 10 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.550 -1.686 18715 5868 1 10 . 1 1 65 65 GLN H H 65 8.104 8.104 8.172 -0.068 18715 5869 1 10 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.352 0.031 18715 5870 1 10 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.556 1.361 18715 5871 1 10 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.242 -0.143 18715 5872 1 10 . 1 1 67 67 SER N N 67 111.415 111.415 112.943 -1.528 18715 5873 1 10 . 1 1 67 67 SER HA H 67 4.493 4.493 4.679 -0.186 18715 5874 1 10 . 1 1 67 67 SER CA C 67 59.696 59.696 57.496 2.200 18715 5875 1 10 . 1 1 67 67 SER CB C 67 64.031 64.031 62.289 1.742 18715 5876 1 10 . 1 1 67 67 SER H H 67 7.824 7.824 7.644 0.180 18715 5877 1 10 . 1 1 68 68 LEU N N 68 121.102 121.102 121.930 -0.828 18715 5878 1 10 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.950 -0.135 18715 5879 1 10 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.328 0.620 18715 5880 1 10 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.799 -0.030 18715 5881 1 10 . 1 1 68 68 LEU H H 68 7.647 7.647 7.239 0.408 18715 5882 1 10 . 1 1 69 69 GLN N N 69 116.415 116.415 118.293 -1.878 18715 5883 1 10 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.153 -0.084 18715 5884 1 10 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.820 0.650 18715 5885 1 10 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.074 -0.646 18715 5886 1 10 . 1 1 69 69 GLN H H 69 8.060 8.060 8.382 -0.322 18715 5887 1 10 . 1 1 70 70 THR N N 70 106.728 106.728 110.993 -4.265 18715 5888 1 10 . 1 1 70 70 THR HA H 70 4.481 4.481 4.453 0.028 18715 5889 1 10 . 1 1 70 70 THR CA C 70 61.291 61.291 61.594 -0.303 18715 5890 1 10 . 1 1 70 70 THR CB C 70 69.415 69.415 68.903 0.512 18715 5891 1 10 . 1 1 70 70 THR H H 70 7.515 7.515 7.965 -0.450 18715 5892 1 10 . 1 1 71 71 GLY N N 71 109.540 109.540 109.933 -0.393 18715 5893 1 10 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.717 1.837 18715 5894 1 10 . 1 1 71 71 GLY H H 71 7.692 7.692 7.428 0.264 18715 5895 1 10 . 1 1 72 72 SER N N 72 114.540 114.540 114.511 0.029 18715 5896 1 10 . 1 1 72 72 SER HA H 72 4.625 4.625 4.618 0.007 18715 5897 1 10 . 1 1 72 72 SER CA C 72 57.319 57.319 56.939 0.380 18715 5898 1 10 . 1 1 72 72 SER CB C 72 64.599 64.599 65.637 -1.038 18715 5899 1 10 . 1 1 72 72 SER H H 72 8.045 8.045 7.848 0.197 18715 5900 1 10 . 1 1 73 73 GLU N N 73 124.228 124.228 121.423 2.805 18715 5901 1 10 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.083 0.004 18715 5902 1 10 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.801 -0.421 18715 5903 1 10 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.555 -0.253 18715 5904 1 10 . 1 1 73 73 GLU H H 73 9.092 9.092 8.975 0.117 18715 5905 1 10 . 1 1 74 74 GLU N N 74 120.165 120.165 119.246 0.919 18715 5906 1 10 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.350 -0.061 18715 5907 1 10 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.048 1.180 18715 5908 1 10 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.856 -0.394 18715 5909 1 10 . 1 1 74 74 GLU H H 74 8.665 8.665 7.788 0.877 18715 5910 1 10 . 1 1 75 75 LEU N N 75 121.415 121.415 121.246 0.169 18715 5911 1 10 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.021 0.140 18715 5912 1 10 . 1 1 75 75 LEU CA C 75 57.953 57.953 57.977 -0.024 18715 5913 1 10 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.065 -0.796 18715 5914 1 10 . 1 1 75 75 LEU H H 75 7.765 7.765 7.469 0.296 18715 5915 1 10 . 1 1 76 76 ARG N N 76 119.228 119.228 119.122 0.106 18715 5916 1 10 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.877 0.056 18715 5917 1 10 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.220 -0.538 18715 5918 1 10 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.258 -1.061 18715 5919 1 10 . 1 1 76 76 ARG H H 76 7.868 7.868 8.553 -0.685 18715 5920 1 10 . 1 1 77 77 SER N N 77 114.228 114.228 115.866 -1.638 18715 5921 1 10 . 1 1 77 77 SER HA H 77 4.263 4.263 4.121 0.142 18715 5922 1 10 . 1 1 77 77 SER CA C 77 62.668 62.668 61.897 0.771 18715 5923 1 10 . 1 1 77 77 SER CB C 77 62.849 62.849 63.050 -0.202 18715 5924 1 10 . 1 1 77 77 SER H H 77 8.576 8.576 7.875 0.701 18715 5925 1 10 . 1 1 78 78 LEU N N 78 125.790 125.790 123.112 2.678 18715 5926 1 10 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.295 0.126 18715 5927 1 10 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.972 0.990 18715 5928 1 10 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.249 0.794 18715 5929 1 10 . 1 1 78 78 LEU H H 78 8.458 8.458 7.683 0.775 18715 5930 1 10 . 1 1 79 79 TYR N N 79 119.852 119.852 119.505 0.347 18715 5931 1 10 . 1 1 79 79 TYR HA H 79 3.661 3.661 3.984 -0.323 18715 5932 1 10 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.143 0.659 18715 5933 1 10 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.165 1.029 18715 5934 1 10 . 1 1 79 79 TYR H H 79 8.694 8.694 8.450 0.244 18715 5935 1 10 . 1 1 80 80 ASN N N 80 117.040 117.040 117.723 -0.683 18715 5936 1 10 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.453 -0.169 18715 5937 1 10 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.852 -1.065 18715 5938 1 10 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.465 -0.626 18715 5939 1 10 . 1 1 80 80 ASN H H 80 8.871 8.871 8.161 0.710 18715 5940 1 10 . 1 1 81 81 THR N N 81 115.790 115.790 118.420 -2.630 18715 5941 1 10 . 1 1 81 81 THR HA H 81 3.945 3.945 4.200 -0.255 18715 5942 1 10 . 1 1 81 81 THR CA C 81 67.855 67.855 67.568 0.287 18715 5943 1 10 . 1 1 81 81 THR CB C 81 69.140 69.140 69.241 -0.101 18715 5944 1 10 . 1 1 81 81 THR H H 81 8.119 8.119 8.073 0.046 18715 5945 1 10 . 1 1 82 82 ILE N N 82 121.102 121.102 121.367 -0.265 18715 5946 1 10 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.733 -0.065 18715 5947 1 10 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.462 -0.942 18715 5948 1 10 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.343 -0.857 18715 5949 1 10 . 1 1 82 82 ILE H H 82 8.090 8.090 8.741 -0.651 18715 5950 1 10 . 1 1 83 83 ALA N N 83 125.165 125.165 123.036 2.129 18715 5951 1 10 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.865 0.026 18715 5952 1 10 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.241 0.614 18715 5953 1 10 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.977 -0.129 18715 5954 1 10 . 1 1 83 83 ALA H H 83 8.782 8.782 7.417 1.365 18715 5955 1 10 . 1 1 84 84 VAL N N 84 117.665 117.665 118.841 -1.176 18715 5956 1 10 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.645 -0.317 18715 5957 1 10 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.148 1.317 18715 5958 1 10 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.570 0.125 18715 5959 1 10 . 1 1 84 84 VAL H H 84 7.795 7.795 7.599 0.196 18715 5960 1 10 . 1 1 85 85 LEU N N 85 122.040 122.040 121.229 0.811 18715 5961 1 10 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.793 0.022 18715 5962 1 10 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.761 -0.452 18715 5963 1 10 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.632 0.516 18715 5964 1 10 . 1 1 85 85 LEU H H 85 8.163 8.163 8.346 -0.183 18715 5965 1 10 . 1 1 86 86 TYR N N 86 118.915 118.915 120.065 -1.150 18715 5966 1 10 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.086 -0.174 18715 5967 1 10 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.929 0.889 18715 5968 1 10 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.110 0.177 18715 5969 1 10 . 1 1 86 86 TYR H H 86 9.062 9.062 8.276 0.786 18715 5970 1 10 . 1 1 87 87 CYS N N 87 116.102 116.102 117.396 -1.294 18715 5971 1 10 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.859 -0.065 18715 5972 1 10 . 1 1 87 87 CYS CA C 87 65.966 65.966 65.222 0.744 18715 5973 1 10 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.494 19.063 18715 5974 1 10 . 1 1 87 87 CYS H H 87 7.515 7.515 8.329 -0.814 18715 5975 1 10 . 1 1 88 88 VAL N N 88 119.978 119.978 120.491 -0.513 18715 5976 1 10 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.859 0.019 18715 5977 1 10 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.351 0.095 18715 5978 1 10 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.499 -0.003 18715 5979 1 10 . 1 1 88 88 VAL H H 88 8.448 8.448 7.771 0.677 18715 5980 1 10 . 1 1 89 89 HIS N N 89 118.915 118.915 116.064 2.851 18715 5981 1 10 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.616 0.259 18715 5982 1 10 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.676 -0.556 18715 5983 1 10 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.219 -0.136 18715 5984 1 10 . 1 1 89 89 HIS H H 89 8.797 8.797 8.038 0.759 18715 5985 1 10 . 1 1 90 90 GLN N N 90 116.728 116.728 117.731 -1.003 18715 5986 1 10 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.206 0.179 18715 5987 1 10 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.990 -1.701 18715 5988 1 10 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.878 1.074 18715 5989 1 10 . 1 1 90 90 GLN H H 90 7.986 7.986 7.715 0.271 18715 5990 1 10 . 1 1 91 91 ARG N N 91 115.165 115.165 115.903 -0.738 18715 5991 1 10 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.400 -0.387 18715 5992 1 10 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.175 1.008 18715 5993 1 10 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.146 -5.097 18715 5994 1 10 . 1 1 91 91 ARG H H 91 7.883 7.883 7.865 0.018 18715 5995 1 10 . 1 1 92 92 ILE N N 92 120.087 120.087 121.591 -1.504 18715 5996 1 10 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.284 -0.299 18715 5997 1 10 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.622 0.034 18715 5998 1 10 . 1 1 92 92 ILE CB C 92 38.930 38.930 41.132 -2.202 18715 5999 1 10 . 1 1 92 92 ILE H H 92 8.335 8.335 8.443 -0.108 18715 6000 1 10 . 1 1 93 93 ASP N N 93 129.228 129.228 125.088 4.140 18715 6001 1 10 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.732 -0.247 18715 6002 1 10 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.861 2.182 18715 6003 1 10 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.423 -0.027 18715 6004 1 10 . 1 1 93 93 ASP H H 93 8.620 8.620 8.635 -0.015 18715 6005 1 10 . 1 1 94 94 VAL N N 94 115.790 115.790 113.993 1.797 18715 6006 1 10 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.871 0.762 18715 6007 1 10 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.373 -3.253 18715 6008 1 10 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.504 3.008 18715 6009 1 10 . 1 1 94 94 VAL H H 94 7.751 7.751 7.512 0.239 18715 6010 1 10 . 1 1 95 95 LYS N N 95 118.915 118.915 119.298 -0.383 18715 6011 1 10 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.185 0.208 18715 6012 1 10 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.271 -1.600 18715 6013 1 10 . 1 1 95 95 LYS CB C 95 34.008 34.008 32.919 1.089 18715 6014 1 10 . 1 1 95 95 LYS H H 95 9.239 9.239 8.802 0.437 18715 6015 1 10 . 1 1 96 96 ASP N N 96 112.040 112.040 112.830 -0.790 18715 6016 1 10 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.349 0.213 18715 6017 1 10 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.452 0.377 18715 6018 1 10 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.554 1.050 18715 6019 1 10 . 1 1 96 96 ASP H H 96 7.412 7.412 7.656 -0.244 18715 6020 1 10 . 1 1 97 97 THR N N 97 109.540 109.540 114.951 -5.411 18715 6021 1 10 . 1 1 97 97 THR HA H 97 3.661 3.661 3.978 -0.317 18715 6022 1 10 . 1 1 97 97 THR CA C 97 65.947 65.947 66.143 -0.196 18715 6023 1 10 . 1 1 97 97 THR CB C 97 70.285 70.285 68.785 1.500 18715 6024 1 10 . 1 1 97 97 THR H H 97 7.250 7.250 8.306 -1.056 18715 6025 1 10 . 1 1 98 98 LYS N N 98 121.102 121.102 122.339 -1.237 18715 6026 1 10 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.950 -0.005 18715 6027 1 10 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.929 -0.301 18715 6028 1 10 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.983 -0.056 18715 6029 1 10 . 1 1 98 98 LYS H H 98 7.868 7.868 8.356 -0.488 18715 6030 1 10 . 1 1 99 99 GLU N N 99 119.228 119.228 118.638 0.590 18715 6031 1 10 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.014 0.063 18715 6032 1 10 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.486 0.309 18715 6033 1 10 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.315 0.931 18715 6034 1 10 . 1 1 99 99 GLU H H 99 8.384 8.384 8.459 -0.075 18715 6035 1 10 . 1 1 100 100 ALA N N 100 118.915 118.915 122.540 -3.625 18715 6036 1 10 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.101 0.285 18715 6037 1 10 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.902 0.494 18715 6038 1 10 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.582 1.177 18715 6039 1 10 . 1 1 100 100 ALA H H 100 7.382 7.382 7.394 -0.012 18715 6040 1 10 . 1 1 101 101 LEU N N 101 117.978 117.978 118.435 -0.457 18715 6041 1 10 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.809 0.211 18715 6042 1 10 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.114 -0.139 18715 6043 1 10 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.471 0.022 18715 6044 1 10 . 1 1 101 101 LEU H H 101 8.119 8.119 8.467 -0.348 18715 6045 1 10 . 1 1 102 102 ASP N N 102 120.478 120.478 118.304 2.174 18715 6046 1 10 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.389 -0.022 18715 6047 1 10 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.295 0.057 18715 6048 1 10 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.834 -1.112 18715 6049 1 10 . 1 1 102 102 ASP H H 102 8.679 8.679 7.859 0.820 18715 6050 1 10 . 1 1 103 103 LYS N N 103 120.165 120.165 119.669 0.496 18715 6051 1 10 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.122 0.042 18715 6052 1 10 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.747 -0.383 18715 6053 1 10 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.284 -0.752 18715 6054 1 10 . 1 1 103 103 LYS H H 103 8.207 8.207 7.671 0.536 18715 6055 1 10 . 1 1 104 104 ILE N N 104 119.852 119.852 119.705 0.147 18715 6056 1 10 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.730 0.080 18715 6057 1 10 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.049 0.559 18715 6058 1 10 . 1 1 104 104 ILE CB C 104 37.434 37.434 36.884 0.550 18715 6059 1 10 . 1 1 104 104 ILE H H 104 8.163 8.163 7.671 0.492 18715 6060 1 10 . 1 1 105 105 GLU N N 105 121.415 121.415 119.521 1.894 18715 6061 1 10 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.053 -0.018 18715 6062 1 10 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.527 0.107 18715 6063 1 10 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.513 3.243 18715 6064 1 10 . 1 1 105 105 GLU H H 105 8.001 8.001 7.859 0.142 18715 6065 1 10 . 1 1 106 106 GLU N N 106 119.228 119.228 118.735 0.493 18715 6066 1 10 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.221 -0.131 18715 6067 1 10 . 1 1 106 106 GLU CA C 106 59.267 59.267 58.621 0.646 18715 6068 1 10 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.840 -0.243 18715 6069 1 10 . 1 1 106 106 GLU H H 106 8.031 8.031 7.578 0.453 18715 6070 1 10 . 1 1 107 107 GLU N N 107 118.915 118.915 118.827 0.088 18715 6071 1 10 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.300 -0.227 18715 6072 1 10 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.794 0.547 18715 6073 1 10 . 1 1 107 107 GLU CB C 107 29.870 29.870 30.067 -0.197 18715 6074 1 10 . 1 1 107 107 GLU H H 107 8.016 8.016 7.689 0.327 18715 6075 1 10 . 1 1 108 108 GLN N N 108 118.290 118.290 119.552 -1.262 18715 6076 1 10 . 1 1 108 108 GLN HA H 108 4.147 4.147 3.994 0.153 18715 6077 1 10 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.679 -0.272 18715 6078 1 10 . 1 1 108 108 GLN CB C 108 28.845 28.845 27.909 0.936 18715 6079 1 10 . 1 1 108 108 GLN H H 108 8.252 8.252 8.499 -0.247 18715 6080 1 10 . 1 1 109 109 ASN N N 109 118.290 118.290 118.071 0.219 18715 6081 1 10 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.427 0.190 18715 6082 1 10 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.887 -1.005 18715 6083 1 10 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.365 0.160 18715 6084 1 10 . 1 1 109 109 ASN H H 109 8.252 8.252 7.855 0.397 18715 6085 1 10 . 1 1 110 110 LYS N N 110 120.478 120.478 118.059 2.419 18715 6086 1 10 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.022 0.208 18715 6087 1 10 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.122 -0.811 18715 6088 1 10 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.190 0.501 18715 6089 1 10 . 1 1 110 110 LYS H H 110 8.031 8.031 7.821 0.210 18715 6090 1 10 . 1 1 111 111 SER N N 111 114.540 114.540 113.704 0.836 18715 6091 1 10 . 1 1 111 111 SER HA H 111 4.368 4.368 4.315 0.053 18715 6092 1 10 . 1 1 111 111 SER CA C 111 59.764 59.764 60.766 -1.002 18715 6093 1 10 . 1 1 111 111 SER CB C 111 63.442 63.442 63.184 0.258 18715 6094 1 10 . 1 1 111 111 SER H H 111 8.031 8.031 7.940 0.091 18715 6095 1 10 . 1 1 112 112 LYS N N 112 122.040 122.040 121.754 0.286 18715 6096 1 10 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.121 0.124 18715 6097 1 10 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.257 -0.928 18715 6098 1 10 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.369 0.406 18715 6099 1 10 . 1 1 112 112 LYS H H 112 7.957 7.957 7.762 0.195 18715 6100 1 10 . 1 1 113 113 LYS N N 113 120.790 120.790 119.609 1.181 18715 6101 1 10 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.126 0.024 18715 6102 1 10 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.765 0.369 18715 6103 1 10 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.375 0.391 18715 6104 1 10 . 1 1 113 113 LYS H H 113 8.016 8.016 7.570 0.446 18715 6105 1 10 . 1 1 114 114 LYS N N 114 121.728 121.728 118.196 3.532 18715 6106 1 10 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.117 0.146 18715 6107 1 10 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.524 -1.339 18715 6108 1 10 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.735 0.122 18715 6109 1 10 . 1 1 114 114 LYS H H 114 8.119 8.119 7.685 0.434 18715 6110 1 10 . 1 1 115 115 ALA N N 115 124.228 124.228 119.627 4.601 18715 6111 1 10 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.561 -0.293 18715 6112 1 10 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.376 1.659 18715 6113 1 10 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.950 0.088 18715 6114 1 10 . 1 1 115 115 ALA H H 115 8.178 8.178 7.145 1.033 18715 6115 1 10 . 1 1 116 116 GLN N N 116 119.228 119.228 118.469 0.759 18715 6116 1 10 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.433 -0.185 18715 6117 1 10 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.689 0.860 18715 6118 1 10 . 1 1 116 116 GLN H H 116 8.237 8.237 7.513 0.724 18715 6119 1 10 . 1 1 117 117 GLN N N 117 120.478 120.478 116.936 3.542 18715 6120 1 10 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.351 -0.082 18715 6121 1 10 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.492 -1.168 18715 6122 1 10 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.651 0.955 18715 6123 1 10 . 1 1 117 117 GLN H H 117 8.266 8.266 8.191 0.075 18715 6124 1 10 . 1 1 118 118 ALA N N 118 124.852 124.852 122.666 2.186 18715 6125 1 10 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.471 -0.195 18715 6126 1 10 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.450 0.387 18715 6127 1 10 . 1 1 118 118 ALA CB C 118 19.062 19.062 19.205 -0.143 18715 6128 1 10 . 1 1 118 118 ALA H H 118 8.266 8.266 8.270 -0.004 18715 6129 1 10 . 1 1 119 119 ALA N N 119 122.978 122.978 120.736 2.242 18715 6130 1 10 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.335 -0.041 18715 6131 1 10 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.931 0.706 18715 6132 1 10 . 1 1 119 119 ALA CB C 119 19.201 19.201 16.807 2.394 18715 6133 1 10 . 1 1 119 119 ALA H H 119 8.163 8.163 8.540 -0.377 18715 6134 1 10 . 1 1 120 120 ALA N N 120 122.665 122.665 122.588 0.077 18715 6135 1 10 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.453 -0.176 18715 6136 1 10 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.732 0.004 18715 6137 1 10 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.485 -1.318 18715 6138 1 10 . 1 1 120 120 ALA H H 120 8.163 8.163 7.852 0.311 18715 6139 1 10 . 1 1 121 121 ASP N N 121 119.228 119.228 121.860 -2.632 18715 6140 1 10 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.736 -0.054 18715 6141 1 10 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.299 -0.035 18715 6142 1 10 . 1 1 121 121 ASP CB C 121 41.128 41.128 39.131 1.997 18715 6143 1 10 . 1 1 121 121 ASP H H 121 8.252 8.252 8.411 -0.159 18715 6144 1 10 . 1 1 122 122 THR N N 122 113.602 113.602 113.339 0.263 18715 6145 1 10 . 1 1 122 122 THR HA H 122 4.358 4.358 4.494 -0.136 18715 6146 1 10 . 1 1 122 122 THR CA C 122 61.971 61.971 61.063 0.908 18715 6147 1 10 . 1 1 122 122 THR CB C 122 69.586 69.586 69.997 -0.411 18715 6148 1 10 . 1 1 122 122 THR H H 122 8.075 8.075 7.623 0.452 18715 6149 1 10 . 1 1 123 123 GLY N N 123 110.478 110.478 108.835 1.643 18715 6150 1 10 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.069 0.534 18715 6151 1 10 . 1 1 123 123 GLY H H 123 8.414 8.414 8.289 0.125 18715 6152 1 10 . 1 1 124 124 ASN N N 124 118.602 118.602 117.973 0.629 18715 6153 1 10 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.841 -0.233 18715 6154 1 10 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.624 2.109 18715 6155 1 10 . 1 1 124 124 ASN CB C 124 38.538 38.538 41.085 -2.547 18715 6156 1 10 . 1 1 124 124 ASN H H 124 8.266 8.266 8.424 -0.158 18715 6157 1 10 . 1 1 125 125 ASN N N 125 119.228 119.228 118.924 0.304 18715 6158 1 10 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.802 -0.078 18715 6159 1 10 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.843 0.610 18715 6160 1 10 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.254 -0.441 18715 6161 1 10 . 1 1 125 125 ASN H H 125 8.443 8.443 8.392 0.051 18715 6162 1 10 . 1 1 126 126 SER N N 126 115.790 115.790 114.784 1.006 18715 6163 1 10 . 1 1 126 126 SER HA H 126 4.388 4.388 4.541 -0.153 18715 6164 1 10 . 1 1 126 126 SER CA C 126 58.851 58.851 57.573 1.278 18715 6165 1 10 . 1 1 126 126 SER CB C 126 63.926 63.926 64.035 -0.109 18715 6166 1 10 . 1 1 126 126 SER H H 126 8.266 8.266 8.252 0.014 18715 6167 1 10 . 1 1 127 127 GLN N N 127 121.728 121.728 123.858 -2.130 18715 6168 1 10 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.390 -0.067 18715 6169 1 10 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.410 0.813 18715 6170 1 10 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.019 0.149 18715 6171 1 10 . 1 1 127 127 GLN H H 127 8.355 8.355 8.260 0.095 18715 6172 1 10 . 1 1 128 128 VAL N N 128 119.852 119.852 116.396 3.456 18715 6173 1 10 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.260 -0.151 18715 6174 1 10 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.862 0.803 18715 6175 1 10 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.530 0.239 18715 6176 1 10 . 1 1 128 128 VAL H H 128 7.986 7.986 8.336 -0.350 18715 6177 1 10 . 1 1 129 129 SER N N 129 117.978 117.978 116.810 1.168 18715 6178 1 10 . 1 1 129 129 SER HA H 129 4.136 4.136 4.747 -0.611 18715 6179 1 10 . 1 1 129 129 SER CA C 129 58.404 58.404 57.979 0.425 18715 6180 1 10 . 1 1 129 129 SER CB C 129 63.755 63.755 64.413 -0.658 18715 6181 1 10 . 1 1 129 129 SER H H 129 8.252 8.252 8.367 -0.115 18715 6182 1 10 . 1 1 130 130 GLN N N 130 121.728 121.728 120.711 1.017 18715 6183 1 10 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.353 0.002 18715 6184 1 10 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.865 0.285 18715 6185 1 10 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.223 0.150 18715 6186 1 10 . 1 1 130 130 GLN H H 130 8.355 8.355 8.458 -0.103 18715 6187 1 10 . 1 1 131 131 ASN N N 131 118.290 118.290 117.663 0.627 18715 6188 1 10 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.649 -0.017 18715 6189 1 10 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.707 -0.139 18715 6190 1 10 . 1 1 131 131 ASN H H 131 8.252 8.252 8.257 -0.005 18715 6191 1 11 . 1 1 3 3 ALA N N 3 123.842 123.842 124.862 -1.020 18715 6192 1 11 . 1 1 3 3 ALA HA H 3 4.328 4.328 5.287 -0.959 18715 6193 1 11 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.205 1.332 18715 6194 1 11 . 1 1 3 3 ALA CB C 3 17.251 17.251 21.131 -3.880 18715 6195 1 11 . 1 1 3 3 ALA H H 3 8.183 8.183 8.819 -0.636 18715 6196 1 11 . 1 1 4 4 ARG N N 4 120.165 120.165 119.824 0.341 18715 6197 1 11 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.504 -0.248 18715 6198 1 11 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.819 0.146 18715 6199 1 11 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.263 -0.302 18715 6200 1 11 . 1 1 4 4 ARG H H 4 8.429 8.429 8.692 -0.263 18715 6201 1 11 . 1 1 5 5 ALA N N 5 125.165 125.165 123.465 1.700 18715 6202 1 11 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.625 -0.343 18715 6203 1 11 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.937 0.434 18715 6204 1 11 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.915 -0.243 18715 6205 1 11 . 1 1 5 5 ALA H H 5 8.370 8.370 8.408 -0.038 18715 6206 1 11 . 1 1 6 6 SER N N 6 114.540 114.540 120.120 -5.580 18715 6207 1 11 . 1 1 6 6 SER HA H 6 4.479 4.479 4.651 -0.172 18715 6208 1 11 . 1 1 6 6 SER CA C 6 57.804 57.804 57.734 0.070 18715 6209 1 11 . 1 1 6 6 SER CB C 6 64.034 64.034 62.782 1.252 18715 6210 1 11 . 1 1 6 6 SER H H 6 8.134 8.134 8.545 -0.411 18715 6211 1 11 . 1 1 7 7 VAL N N 7 121.415 121.415 124.311 -2.896 18715 6212 1 11 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.868 -0.251 18715 6213 1 11 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.423 1.288 18715 6214 1 11 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.136 -0.201 18715 6215 1 11 . 1 1 7 7 VAL H H 7 8.119 8.119 8.097 0.022 18715 6216 1 11 . 1 1 8 8 LEU N N 8 115.478 115.478 118.277 -2.799 18715 6217 1 11 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.653 0.279 18715 6218 1 11 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.647 -1.140 18715 6219 1 11 . 1 1 8 8 LEU CB C 8 44.303 44.303 42.842 1.461 18715 6220 1 11 . 1 1 8 8 LEU H H 8 7.382 7.382 7.588 -0.206 18715 6221 1 11 . 1 1 9 9 SER N N 9 118.290 118.290 118.418 -0.128 18715 6222 1 11 . 1 1 9 9 SER HA H 9 4.606 4.606 4.584 0.022 18715 6223 1 11 . 1 1 9 9 SER CA C 9 57.197 57.197 57.574 -0.377 18715 6224 1 11 . 1 1 9 9 SER CB C 9 65.426 65.426 65.474 -0.048 18715 6225 1 11 . 1 1 9 9 SER H H 9 9.166 9.166 8.929 0.237 18715 6226 1 11 . 1 1 10 10 GLY N N 10 109.228 109.228 108.878 0.350 18715 6227 1 11 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.998 0.676 18715 6228 1 11 . 1 1 10 10 GLY H H 10 8.959 8.959 8.684 0.275 18715 6229 1 11 . 1 1 11 11 GLY N N 11 111.102 111.102 109.917 1.185 18715 6230 1 11 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.450 0.211 18715 6231 1 11 . 1 1 11 11 GLY H H 11 8.782 8.782 7.797 0.985 18715 6232 1 11 . 1 1 12 12 GLU N N 12 120.165 120.165 122.153 -1.988 18715 6233 1 11 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.001 -0.051 18715 6234 1 11 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.774 0.322 18715 6235 1 11 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.515 1.774 18715 6236 1 11 . 1 1 12 12 GLU H H 12 7.751 7.751 7.498 0.253 18715 6237 1 11 . 1 1 13 13 LEU N N 13 121.415 121.415 121.454 -0.039 18715 6238 1 11 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.024 0.084 18715 6239 1 11 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.256 -0.194 18715 6240 1 11 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.750 -0.814 18715 6241 1 11 . 1 1 13 13 LEU H H 13 8.340 8.340 8.503 -0.163 18715 6242 1 11 . 1 1 14 14 ASP N N 14 116.415 116.415 119.209 -2.794 18715 6243 1 11 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.339 0.054 18715 6244 1 11 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.832 -0.696 18715 6245 1 11 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.911 0.175 18715 6246 1 11 . 1 1 14 14 ASP H H 14 7.574 7.574 7.793 -0.219 18715 6247 1 11 . 1 1 15 15 LYS N N 15 115.478 115.478 119.820 -4.342 18715 6248 1 11 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.088 -0.042 18715 6249 1 11 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.630 -1.228 18715 6250 1 11 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.343 0.017 18715 6251 1 11 . 1 1 15 15 LYS H H 15 7.117 7.117 7.432 -0.315 18715 6252 1 11 . 1 1 16 16 TRP N N 16 121.693 121.693 121.426 0.267 18715 6253 1 11 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.101 -0.076 18715 6254 1 11 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.967 -0.680 18715 6255 1 11 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.466 1.647 18715 6256 1 11 . 1 1 16 16 TRP H H 16 8.646 8.646 8.634 0.012 18715 6257 1 11 . 1 1 17 17 GLU N N 17 127.710 127.710 115.594 12.116 18715 6258 1 11 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.435 0.256 18715 6259 1 11 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.521 -1.752 18715 6260 1 11 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.572 0.173 18715 6261 1 11 . 1 1 17 17 GLU H H 17 7.571 7.571 8.051 -0.480 18715 6262 1 11 . 1 1 18 18 LYS N N 18 115.790 115.790 118.385 -2.595 18715 6263 1 11 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.182 0.315 18715 6264 1 11 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.453 -1.884 18715 6265 1 11 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.398 0.541 18715 6266 1 11 . 1 1 18 18 LYS H H 18 7.456 7.456 7.551 -0.095 18715 6267 1 11 . 1 1 19 19 ILE N N 19 124.228 124.228 119.785 4.443 18715 6268 1 11 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.857 -0.300 18715 6269 1 11 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.631 -0.511 18715 6270 1 11 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.487 0.695 18715 6271 1 11 . 1 1 19 19 ILE H H 19 7.633 7.633 8.057 -0.424 18715 6272 1 11 . 1 1 20 20 ARG N N 20 125.790 125.790 125.282 0.508 18715 6273 1 11 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.550 -0.122 18715 6274 1 11 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.270 1.225 18715 6275 1 11 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.285 0.253 18715 6276 1 11 . 1 1 20 20 ARG H H 20 8.031 8.031 8.438 -0.407 18715 6277 1 11 . 1 1 21 21 LEU N N 21 120.165 120.165 120.281 -0.116 18715 6278 1 11 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.892 -0.446 18715 6279 1 11 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.826 1.409 18715 6280 1 11 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.156 -0.621 18715 6281 1 11 . 1 1 21 21 LEU H H 21 7.810 7.810 8.053 -0.243 18715 6282 1 11 . 1 1 22 22 ARG N N 22 119.540 119.540 116.592 2.948 18715 6283 1 11 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.570 0.275 18715 6284 1 11 . 1 1 22 22 ARG CA C 22 52.844 52.844 54.163 -1.319 18715 6285 1 11 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.836 0.781 18715 6286 1 11 . 1 1 22 22 ARG H H 22 8.974 8.974 7.774 1.200 18715 6287 1 11 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.598 -0.238 18715 6288 1 11 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.473 -1.037 18715 6289 1 11 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.154 -0.589 18715 6290 1 11 . 1 1 24 24 GLY N N 24 112.665 112.665 106.253 6.412 18715 6291 1 11 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.586 1.219 18715 6292 1 11 . 1 1 24 24 GLY H H 24 9.138 9.138 8.042 1.096 18715 6293 1 11 . 1 1 25 25 GLY N N 25 107.978 107.978 108.872 -0.894 18715 6294 1 11 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.630 -0.058 18715 6295 1 11 . 1 1 25 25 GLY H H 25 8.134 8.134 7.239 0.895 18715 6296 1 11 . 1 1 26 26 LYS N N 26 117.665 117.665 119.470 -1.805 18715 6297 1 11 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.503 -0.239 18715 6298 1 11 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.250 0.603 18715 6299 1 11 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.525 1.531 18715 6300 1 11 . 1 1 26 26 LYS H H 26 8.665 8.665 8.288 0.377 18715 6301 1 11 . 1 1 27 27 LYS N N 27 117.925 117.925 119.576 -1.651 18715 6302 1 11 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.587 -0.276 18715 6303 1 11 . 1 1 27 27 LYS CA C 27 57.211 57.211 54.977 2.234 18715 6304 1 11 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.508 -0.630 18715 6305 1 11 . 1 1 27 27 LYS H H 27 7.817 7.817 7.800 0.017 18715 6306 1 11 . 1 1 28 28 GLN N N 28 122.978 122.978 118.160 4.818 18715 6307 1 11 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.438 0.378 18715 6308 1 11 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.660 -0.187 18715 6309 1 11 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.860 3.194 18715 6310 1 11 . 1 1 28 28 GLN H H 28 8.458 8.458 8.333 0.125 18715 6311 1 11 . 1 1 29 29 TYR N N 29 119.540 119.540 120.090 -0.550 18715 6312 1 11 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.483 -0.751 18715 6313 1 11 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.014 1.996 18715 6314 1 11 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.469 -2.253 18715 6315 1 11 . 1 1 29 29 TYR H H 29 7.824 7.824 8.730 -0.906 18715 6316 1 11 . 1 1 30 30 LYS N N 30 117.978 117.978 121.131 -3.153 18715 6317 1 11 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.933 0.283 18715 6318 1 11 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.302 -1.237 18715 6319 1 11 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.228 2.360 18715 6320 1 11 . 1 1 30 30 LYS H H 30 10.610 10.610 9.127 1.483 18715 6321 1 11 . 1 1 31 31 LEU N N 31 128.602 128.602 124.387 4.215 18715 6322 1 11 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.015 0.166 18715 6323 1 11 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.336 0.899 18715 6324 1 11 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.670 -0.668 18715 6325 1 11 . 1 1 31 31 LEU H H 31 9.991 9.991 8.837 1.154 18715 6326 1 11 . 1 1 32 32 LYS N N 32 115.165 115.165 119.180 -4.015 18715 6327 1 11 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.925 0.220 18715 6328 1 11 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.439 -0.342 18715 6329 1 11 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.926 -0.367 18715 6330 1 11 . 1 1 32 32 LYS H H 32 8.399 8.399 8.555 -0.156 18715 6331 1 11 . 1 1 33 33 HIS N N 33 119.540 119.540 116.999 2.541 18715 6332 1 11 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.671 -0.067 18715 6333 1 11 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.727 3.164 18715 6334 1 11 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.467 2.317 18715 6335 1 11 . 1 1 33 33 HIS H H 33 8.193 8.193 7.936 0.257 18715 6336 1 11 . 1 1 34 34 ILE N N 34 119.540 119.540 120.968 -1.428 18715 6337 1 11 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.904 -0.110 18715 6338 1 11 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.801 -0.953 18715 6339 1 11 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.559 -0.580 18715 6340 1 11 . 1 1 34 34 ILE H H 34 7.898 7.898 7.490 0.408 18715 6341 1 11 . 1 1 35 35 VAL N N 35 122.040 122.040 118.907 3.133 18715 6342 1 11 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.794 -0.182 18715 6343 1 11 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.413 0.333 18715 6344 1 11 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.247 0.895 18715 6345 1 11 . 1 1 35 35 VAL H H 35 7.706 7.706 8.562 -0.856 18715 6346 1 11 . 1 1 36 36 TRP N N 36 119.986 119.986 122.311 -2.325 18715 6347 1 11 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.205 0.028 18715 6348 1 11 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.107 0.003 18715 6349 1 11 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.284 -0.872 18715 6350 1 11 . 1 1 36 36 TRP H H 36 8.452 8.452 7.785 0.667 18715 6351 1 11 . 1 1 37 37 ALA N N 37 120.478 120.478 120.295 0.183 18715 6352 1 11 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.607 -0.217 18715 6353 1 11 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.233 -0.121 18715 6354 1 11 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.179 -0.749 18715 6355 1 11 . 1 1 37 37 ALA H H 37 8.311 8.311 8.289 0.022 18715 6356 1 11 . 1 1 38 38 SER N N 38 111.415 111.415 113.708 -2.293 18715 6357 1 11 . 1 1 38 38 SER HA H 38 3.906 3.906 4.057 -0.151 18715 6358 1 11 . 1 1 38 38 SER CA C 38 62.801 62.801 62.705 0.096 18715 6359 1 11 . 1 1 38 38 SER CB C 38 62.829 62.829 62.901 -0.072 18715 6360 1 11 . 1 1 38 38 SER H H 38 8.259 8.259 7.816 0.443 18715 6361 1 11 . 1 1 39 39 ARG N N 39 119.852 119.852 121.238 -1.386 18715 6362 1 11 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.984 0.162 18715 6363 1 11 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.118 -0.708 18715 6364 1 11 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.008 0.000 18715 6365 1 11 . 1 1 39 39 ARG H H 39 7.559 7.559 7.431 0.128 18715 6366 1 11 . 1 1 40 40 GLU N N 40 121.102 121.102 119.546 1.556 18715 6367 1 11 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.727 0.060 18715 6368 1 11 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.634 -0.353 18715 6369 1 11 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.685 0.989 18715 6370 1 11 . 1 1 40 40 GLU H H 40 8.222 8.222 7.376 0.846 18715 6371 1 11 . 1 1 41 41 LEU N N 41 117.040 117.040 120.324 -3.284 18715 6372 1 11 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.079 -0.126 18715 6373 1 11 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.009 0.314 18715 6374 1 11 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.875 -1.695 18715 6375 1 11 . 1 1 41 41 LEU H H 41 8.016 8.016 8.198 -0.182 18715 6376 1 11 . 1 1 42 42 GLU N N 42 117.352 117.352 119.010 -1.658 18715 6377 1 11 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.992 0.135 18715 6378 1 11 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.400 0.171 18715 6379 1 11 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.180 0.485 18715 6380 1 11 . 1 1 42 42 GLU H H 42 7.559 7.559 7.817 -0.258 18715 6381 1 11 . 1 1 43 43 ARG N N 43 119.540 119.540 119.210 0.330 18715 6382 1 11 . 1 1 43 43 ARG HA H 43 4.042 4.042 3.980 0.062 18715 6383 1 11 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.533 -0.043 18715 6384 1 11 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.987 -0.322 18715 6385 1 11 . 1 1 43 43 ARG H H 43 7.647 7.647 7.277 0.370 18715 6386 1 11 . 1 1 44 44 PHE N N 44 117.665 117.665 118.240 -0.575 18715 6387 1 11 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.666 -0.052 18715 6388 1 11 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.680 0.678 18715 6389 1 11 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.310 0.856 18715 6390 1 11 . 1 1 44 44 PHE H H 44 7.529 7.529 7.614 -0.085 18715 6391 1 11 . 1 1 45 45 ALA N N 45 118.915 118.915 119.473 -0.558 18715 6392 1 11 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.938 0.077 18715 6393 1 11 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.217 0.197 18715 6394 1 11 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.813 -0.534 18715 6395 1 11 . 1 1 45 45 ALA H H 45 7.928 7.928 7.642 0.286 18715 6396 1 11 . 1 1 46 46 VAL N N 46 119.540 119.540 118.538 1.002 18715 6397 1 11 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.164 -0.069 18715 6398 1 11 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.975 -0.154 18715 6399 1 11 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.369 -0.003 18715 6400 1 11 . 1 1 46 46 VAL H H 46 7.765 7.765 7.607 0.158 18715 6401 1 11 . 1 1 47 47 ASN N N 47 125.790 125.790 127.137 -1.347 18715 6402 1 11 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.714 -0.068 18715 6403 1 11 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.056 -1.060 18715 6404 1 11 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.022 1.065 18715 6405 1 11 . 1 1 47 47 ASN H H 47 8.399 8.399 8.861 -0.462 18715 6406 1 11 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.403 -0.181 18715 6407 1 11 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.836 -0.522 18715 6408 1 11 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.966 -0.226 18715 6409 1 11 . 1 1 49 49 GLY N N 49 108.290 108.290 107.902 0.388 18715 6410 1 11 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.479 0.051 18715 6411 1 11 . 1 1 49 49 GLY H H 49 8.620 8.620 8.665 -0.045 18715 6412 1 11 . 1 1 50 50 LEU N N 50 121.728 121.728 122.166 -0.438 18715 6413 1 11 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.018 0.128 18715 6414 1 11 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.838 0.403 18715 6415 1 11 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.714 -0.151 18715 6416 1 11 . 1 1 50 50 LEU H H 50 7.765 7.765 7.519 0.246 18715 6417 1 11 . 1 1 51 51 LEU N N 51 112.040 112.040 118.534 -6.494 18715 6418 1 11 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.198 0.040 18715 6419 1 11 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.741 -0.234 18715 6420 1 11 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.959 0.531 18715 6421 1 11 . 1 1 51 51 LEU H H 51 7.412 7.412 7.797 -0.385 18715 6422 1 11 . 1 1 52 52 GLU N N 52 114.540 114.540 117.249 -2.709 18715 6423 1 11 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.203 -0.148 18715 6424 1 11 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.817 1.567 18715 6425 1 11 . 1 1 52 52 GLU CB C 52 31.058 31.058 30.154 0.904 18715 6426 1 11 . 1 1 52 52 GLU H H 52 7.500 7.500 7.823 -0.323 18715 6427 1 11 . 1 1 53 53 THR N N 53 122.978 122.978 110.094 12.884 18715 6428 1 11 . 1 1 53 53 THR HA H 53 4.402 4.402 4.425 -0.023 18715 6429 1 11 . 1 1 53 53 THR CA C 53 58.306 58.306 60.057 -1.751 18715 6430 1 11 . 1 1 53 53 THR CB C 53 73.222 73.222 71.555 1.667 18715 6431 1 11 . 1 1 53 53 THR H H 53 7.235 7.235 7.282 -0.047 18715 6432 1 11 . 1 1 54 54 SER N N 54 119.228 119.228 121.475 -2.247 18715 6433 1 11 . 1 1 54 54 SER HA H 54 4.043 4.043 4.159 -0.116 18715 6434 1 11 . 1 1 54 54 SER CA C 54 62.657 62.657 61.883 0.774 18715 6435 1 11 . 1 1 54 54 SER CB C 54 62.562 62.562 62.812 -0.250 18715 6436 1 11 . 1 1 54 54 SER H H 54 9.313 9.313 8.875 0.438 18715 6437 1 11 . 1 1 55 55 GLU N N 55 121.233 121.233 121.799 -0.566 18715 6438 1 11 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.295 -0.226 18715 6439 1 11 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.871 0.804 18715 6440 1 11 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.445 -0.446 18715 6441 1 11 . 1 1 55 55 GLU H H 55 8.975 8.975 8.450 0.525 18715 6442 1 11 . 1 1 56 56 GLY N N 56 110.790 110.790 107.892 2.898 18715 6443 1 11 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.270 0.596 18715 6444 1 11 . 1 1 56 56 GLY H H 56 8.517 8.517 8.181 0.336 18715 6445 1 11 . 1 1 57 57 CYS N N 57 118.602 118.602 119.633 -1.031 18715 6446 1 11 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.060 -0.040 18715 6447 1 11 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.121 0.481 18715 6448 1 11 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.419 20.376 18715 6449 1 11 . 1 1 57 57 CYS H H 57 8.122 8.122 7.889 0.233 18715 6450 1 11 . 1 1 58 58 ARG N N 58 119.540 119.540 119.634 -0.094 18715 6451 1 11 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.790 -0.240 18715 6452 1 11 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.598 0.109 18715 6453 1 11 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.533 -0.084 18715 6454 1 11 . 1 1 58 58 ARG H H 58 8.488 8.488 7.996 0.492 18715 6455 1 11 . 1 1 59 59 GLN N N 59 119.852 119.852 117.853 1.999 18715 6456 1 11 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.134 -0.082 18715 6457 1 11 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.765 0.635 18715 6458 1 11 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.457 -0.224 18715 6459 1 11 . 1 1 59 59 GLN H H 59 8.016 8.016 7.533 0.483 18715 6460 1 11 . 1 1 60 60 ILE N N 60 120.790 120.790 120.544 0.246 18715 6461 1 11 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.776 -0.165 18715 6462 1 11 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.060 0.530 18715 6463 1 11 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.152 -0.302 18715 6464 1 11 . 1 1 60 60 ILE H H 60 8.163 8.163 7.839 0.324 18715 6465 1 11 . 1 1 61 61 LEU N N 61 118.915 118.915 119.714 -0.799 18715 6466 1 11 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.227 -0.332 18715 6467 1 11 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.960 0.694 18715 6468 1 11 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.353 -0.577 18715 6469 1 11 . 1 1 61 61 LEU H H 61 8.370 8.370 8.784 -0.414 18715 6470 1 11 . 1 1 62 62 GLY N N 62 104.332 104.332 107.138 -2.806 18715 6471 1 11 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.160 0.024 18715 6472 1 11 . 1 1 62 62 GLY H H 62 7.883 7.883 8.396 -0.513 18715 6473 1 11 . 1 1 63 63 GLN N N 63 119.852 119.852 118.884 0.968 18715 6474 1 11 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.426 -0.274 18715 6475 1 11 . 1 1 63 63 GLN CA C 63 57.994 57.994 56.781 1.213 18715 6476 1 11 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.906 0.293 18715 6477 1 11 . 1 1 63 63 GLN H H 63 7.795 7.795 7.469 0.326 18715 6478 1 11 . 1 1 64 64 LEU N N 64 117.040 117.040 120.580 -3.540 18715 6479 1 11 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.057 0.224 18715 6480 1 11 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.679 -0.578 18715 6481 1 11 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.031 2.212 18715 6482 1 11 . 1 1 64 64 LEU H H 64 8.252 8.252 7.546 0.706 18715 6483 1 11 . 1 1 65 65 GLN N N 65 118.915 118.915 119.856 -0.941 18715 6484 1 11 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.833 -0.054 18715 6485 1 11 . 1 1 65 65 GLN CA C 65 61.547 61.547 61.013 0.534 18715 6486 1 11 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.890 -1.026 18715 6487 1 11 . 1 1 65 65 GLN H H 65 8.104 8.104 8.484 -0.380 18715 6488 1 11 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.325 0.058 18715 6489 1 11 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.904 1.013 18715 6490 1 11 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.200 -0.101 18715 6491 1 11 . 1 1 67 67 SER N N 67 111.415 111.415 113.355 -1.940 18715 6492 1 11 . 1 1 67 67 SER HA H 67 4.493 4.493 4.302 0.191 18715 6493 1 11 . 1 1 67 67 SER CA C 67 59.696 59.696 59.618 0.078 18715 6494 1 11 . 1 1 67 67 SER CB C 67 64.031 64.031 63.156 0.875 18715 6495 1 11 . 1 1 67 67 SER H H 67 7.824 7.824 7.438 0.386 18715 6496 1 11 . 1 1 68 68 LEU N N 68 121.102 121.102 121.411 -0.309 18715 6497 1 11 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.810 0.006 18715 6498 1 11 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.895 0.053 18715 6499 1 11 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.439 0.330 18715 6500 1 11 . 1 1 68 68 LEU H H 68 7.647 7.647 7.979 -0.332 18715 6501 1 11 . 1 1 69 69 GLN N N 69 116.415 116.415 119.595 -3.180 18715 6502 1 11 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.062 0.007 18715 6503 1 11 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.504 -0.034 18715 6504 1 11 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.818 -0.390 18715 6505 1 11 . 1 1 69 69 GLN H H 69 8.060 8.060 8.375 -0.315 18715 6506 1 11 . 1 1 70 70 THR N N 70 106.728 106.728 109.698 -2.970 18715 6507 1 11 . 1 1 70 70 THR HA H 70 4.481 4.481 4.592 -0.111 18715 6508 1 11 . 1 1 70 70 THR CA C 70 61.291 61.291 60.529 0.762 18715 6509 1 11 . 1 1 70 70 THR CB C 70 69.415 69.415 68.540 0.875 18715 6510 1 11 . 1 1 70 70 THR H H 70 7.515 7.515 7.641 -0.126 18715 6511 1 11 . 1 1 71 71 GLY N N 71 109.540 109.540 110.455 -0.915 18715 6512 1 11 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.368 1.185 18715 6513 1 11 . 1 1 71 71 GLY H H 71 7.692 7.692 7.391 0.301 18715 6514 1 11 . 1 1 72 72 SER N N 72 114.540 114.540 115.138 -0.598 18715 6515 1 11 . 1 1 72 72 SER HA H 72 4.625 4.625 4.790 -0.165 18715 6516 1 11 . 1 1 72 72 SER CA C 72 57.319 57.319 56.840 0.479 18715 6517 1 11 . 1 1 72 72 SER CB C 72 64.599 64.599 65.056 -0.458 18715 6518 1 11 . 1 1 72 72 SER H H 72 8.045 8.045 7.908 0.137 18715 6519 1 11 . 1 1 73 73 GLU N N 73 124.228 124.228 121.187 3.041 18715 6520 1 11 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.010 0.077 18715 6521 1 11 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.141 -0.761 18715 6522 1 11 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.641 -0.339 18715 6523 1 11 . 1 1 73 73 GLU H H 73 9.092 9.092 8.948 0.144 18715 6524 1 11 . 1 1 74 74 GLU N N 74 120.165 120.165 119.440 0.725 18715 6525 1 11 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.325 -0.036 18715 6526 1 11 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.759 0.469 18715 6527 1 11 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.687 -0.225 18715 6528 1 11 . 1 1 74 74 GLU H H 74 8.665 8.665 7.788 0.877 18715 6529 1 11 . 1 1 75 75 LEU N N 75 121.415 121.415 120.769 0.646 18715 6530 1 11 . 1 1 75 75 LEU HA H 75 4.161 4.161 3.998 0.163 18715 6531 1 11 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.365 -0.412 18715 6532 1 11 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.954 -0.686 18715 6533 1 11 . 1 1 75 75 LEU H H 75 7.765 7.765 7.594 0.171 18715 6534 1 11 . 1 1 76 76 ARG N N 76 119.228 119.228 118.590 0.638 18715 6535 1 11 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.983 -0.050 18715 6536 1 11 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.235 0.447 18715 6537 1 11 . 1 1 76 76 ARG CB C 76 29.197 29.197 29.556 -0.359 18715 6538 1 11 . 1 1 76 76 ARG H H 76 7.868 7.868 8.401 -0.533 18715 6539 1 11 . 1 1 77 77 SER N N 77 114.228 114.228 115.964 -1.736 18715 6540 1 11 . 1 1 77 77 SER HA H 77 4.263 4.263 4.181 0.082 18715 6541 1 11 . 1 1 77 77 SER CA C 77 62.668 62.668 62.530 0.138 18715 6542 1 11 . 1 1 77 77 SER CB C 77 62.849 62.849 63.084 -0.235 18715 6543 1 11 . 1 1 77 77 SER H H 77 8.576 8.576 8.161 0.415 18715 6544 1 11 . 1 1 78 78 LEU N N 78 125.790 125.790 123.230 2.560 18715 6545 1 11 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.306 0.115 18715 6546 1 11 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.035 0.927 18715 6547 1 11 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.258 0.785 18715 6548 1 11 . 1 1 78 78 LEU H H 78 8.458 8.458 8.346 0.112 18715 6549 1 11 . 1 1 79 79 TYR N N 79 119.852 119.852 119.685 0.167 18715 6550 1 11 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.027 -0.366 18715 6551 1 11 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.981 0.821 18715 6552 1 11 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.237 0.957 18715 6553 1 11 . 1 1 79 79 TYR H H 79 8.694 8.694 8.497 0.197 18715 6554 1 11 . 1 1 80 80 ASN N N 80 117.040 117.040 117.883 -0.843 18715 6555 1 11 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.499 -0.215 18715 6556 1 11 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.075 -0.288 18715 6557 1 11 . 1 1 80 80 ASN CB C 80 37.839 37.839 37.789 0.050 18715 6558 1 11 . 1 1 80 80 ASN H H 80 8.871 8.871 8.062 0.809 18715 6559 1 11 . 1 1 81 81 THR N N 81 115.790 115.790 119.414 -3.624 18715 6560 1 11 . 1 1 81 81 THR HA H 81 3.945 3.945 4.307 -0.362 18715 6561 1 11 . 1 1 81 81 THR CA C 81 67.855 67.855 67.550 0.305 18715 6562 1 11 . 1 1 81 81 THR CB C 81 69.140 69.140 69.161 -0.021 18715 6563 1 11 . 1 1 81 81 THR H H 81 8.119 8.119 8.248 -0.129 18715 6564 1 11 . 1 1 82 82 ILE N N 82 121.102 121.102 120.856 0.246 18715 6565 1 11 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.778 -0.110 18715 6566 1 11 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.405 -0.885 18715 6567 1 11 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.406 -0.920 18715 6568 1 11 . 1 1 82 82 ILE H H 82 8.090 8.090 8.674 -0.584 18715 6569 1 11 . 1 1 83 83 ALA N N 83 125.165 125.165 123.071 2.094 18715 6570 1 11 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.947 -0.056 18715 6571 1 11 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.047 0.808 18715 6572 1 11 . 1 1 83 83 ALA CB C 83 17.848 17.848 18.101 -0.253 18715 6573 1 11 . 1 1 83 83 ALA H H 83 8.782 8.782 7.313 1.469 18715 6574 1 11 . 1 1 84 84 VAL N N 84 117.665 117.665 119.539 -1.874 18715 6575 1 11 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.626 -0.298 18715 6576 1 11 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.040 1.425 18715 6577 1 11 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.527 0.168 18715 6578 1 11 . 1 1 84 84 VAL H H 84 7.795 7.795 7.679 0.116 18715 6579 1 11 . 1 1 85 85 LEU N N 85 122.040 122.040 120.723 1.317 18715 6580 1 11 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.965 -0.150 18715 6581 1 11 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.584 -0.274 18715 6582 1 11 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.823 0.325 18715 6583 1 11 . 1 1 85 85 LEU H H 85 8.163 8.163 8.228 -0.065 18715 6584 1 11 . 1 1 86 86 TYR N N 86 118.915 118.915 120.162 -1.247 18715 6585 1 11 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.088 -0.176 18715 6586 1 11 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.953 0.865 18715 6587 1 11 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.123 0.164 18715 6588 1 11 . 1 1 86 86 TYR H H 86 9.062 9.062 7.945 1.117 18715 6589 1 11 . 1 1 87 87 CYS N N 87 116.102 116.102 116.162 -0.060 18715 6590 1 11 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.937 -0.142 18715 6591 1 11 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.458 1.508 18715 6592 1 11 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.437 20.120 18715 6593 1 11 . 1 1 87 87 CYS H H 87 7.515 7.515 8.398 -0.883 18715 6594 1 11 . 1 1 88 88 VAL N N 88 119.978 119.978 119.753 0.225 18715 6595 1 11 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.777 0.101 18715 6596 1 11 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.383 1.063 18715 6597 1 11 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.343 0.153 18715 6598 1 11 . 1 1 88 88 VAL H H 88 8.448 8.448 7.468 0.980 18715 6599 1 11 . 1 1 89 89 HIS N N 89 118.915 118.915 116.462 2.453 18715 6600 1 11 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.459 0.416 18715 6601 1 11 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.303 -0.183 18715 6602 1 11 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.450 -0.367 18715 6603 1 11 . 1 1 89 89 HIS H H 89 8.797 8.797 7.378 1.419 18715 6604 1 11 . 1 1 90 90 GLN N N 90 116.728 116.728 116.979 -0.251 18715 6605 1 11 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.148 0.237 18715 6606 1 11 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.251 -1.962 18715 6607 1 11 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.826 1.126 18715 6608 1 11 . 1 1 90 90 GLN H H 90 7.986 7.986 7.983 0.003 18715 6609 1 11 . 1 1 91 91 ARG N N 91 115.165 115.165 115.349 -0.184 18715 6610 1 11 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.303 -0.290 18715 6611 1 11 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.338 0.845 18715 6612 1 11 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.096 -5.047 18715 6613 1 11 . 1 1 91 91 ARG H H 91 7.883 7.883 7.691 0.192 18715 6614 1 11 . 1 1 92 92 ILE N N 92 120.087 120.087 122.370 -2.283 18715 6615 1 11 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.136 -0.151 18715 6616 1 11 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.446 -1.790 18715 6617 1 11 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.364 0.566 18715 6618 1 11 . 1 1 92 92 ILE H H 92 8.335 8.335 7.798 0.537 18715 6619 1 11 . 1 1 93 93 ASP N N 93 129.228 129.228 128.096 1.132 18715 6620 1 11 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.720 -0.235 18715 6621 1 11 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.446 2.597 18715 6622 1 11 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.339 0.057 18715 6623 1 11 . 1 1 93 93 ASP H H 93 8.620 8.620 8.519 0.101 18715 6624 1 11 . 1 1 94 94 VAL N N 94 115.790 115.790 117.319 -1.529 18715 6625 1 11 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.865 0.768 18715 6626 1 11 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.389 -3.269 18715 6627 1 11 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.501 3.011 18715 6628 1 11 . 1 1 94 94 VAL H H 94 7.751 7.751 7.424 0.327 18715 6629 1 11 . 1 1 95 95 LYS N N 95 118.915 118.915 121.097 -2.182 18715 6630 1 11 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.266 0.127 18715 6631 1 11 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.686 -1.015 18715 6632 1 11 . 1 1 95 95 LYS CB C 95 34.008 34.008 32.898 1.111 18715 6633 1 11 . 1 1 95 95 LYS H H 95 9.239 9.239 8.618 0.621 18715 6634 1 11 . 1 1 96 96 ASP N N 96 112.040 112.040 114.407 -2.367 18715 6635 1 11 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.469 0.093 18715 6636 1 11 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.621 0.208 18715 6637 1 11 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.160 1.444 18715 6638 1 11 . 1 1 96 96 ASP H H 96 7.412 7.412 7.670 -0.258 18715 6639 1 11 . 1 1 97 97 THR N N 97 109.540 109.540 114.406 -4.866 18715 6640 1 11 . 1 1 97 97 THR HA H 97 3.661 3.661 4.017 -0.356 18715 6641 1 11 . 1 1 97 97 THR CA C 97 65.947 65.947 67.331 -1.384 18715 6642 1 11 . 1 1 97 97 THR CB C 97 70.285 70.285 69.079 1.206 18715 6643 1 11 . 1 1 97 97 THR H H 97 7.250 7.250 8.276 -1.026 18715 6644 1 11 . 1 1 98 98 LYS N N 98 121.102 121.102 122.067 -0.965 18715 6645 1 11 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.906 0.039 18715 6646 1 11 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.756 -0.128 18715 6647 1 11 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.298 -0.371 18715 6648 1 11 . 1 1 98 98 LYS H H 98 7.868 7.868 8.037 -0.169 18715 6649 1 11 . 1 1 99 99 GLU N N 99 119.228 119.228 118.475 0.753 18715 6650 1 11 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.033 0.044 18715 6651 1 11 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.349 0.446 18715 6652 1 11 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.228 1.018 18715 6653 1 11 . 1 1 99 99 GLU H H 99 8.384 8.384 8.526 -0.142 18715 6654 1 11 . 1 1 100 100 ALA N N 100 118.915 118.915 121.259 -2.344 18715 6655 1 11 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.129 0.257 18715 6656 1 11 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.046 0.350 18715 6657 1 11 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.511 1.248 18715 6658 1 11 . 1 1 100 100 ALA H H 100 7.382 7.382 7.490 -0.108 18715 6659 1 11 . 1 1 101 101 LEU N N 101 117.978 117.978 118.228 -0.250 18715 6660 1 11 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.968 0.052 18715 6661 1 11 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.622 0.353 18715 6662 1 11 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.729 -0.236 18715 6663 1 11 . 1 1 101 101 LEU H H 101 8.119 8.119 7.596 0.523 18715 6664 1 11 . 1 1 102 102 ASP N N 102 120.478 120.478 119.738 0.740 18715 6665 1 11 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.440 -0.073 18715 6666 1 11 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.602 -0.250 18715 6667 1 11 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.901 -1.179 18715 6668 1 11 . 1 1 102 102 ASP H H 102 8.679 8.679 7.960 0.719 18715 6669 1 11 . 1 1 103 103 LYS N N 103 120.165 120.165 120.187 -0.022 18715 6670 1 11 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.161 0.003 18715 6671 1 11 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.065 -0.701 18715 6672 1 11 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.589 -1.057 18715 6673 1 11 . 1 1 103 103 LYS H H 103 8.207 8.207 7.901 0.306 18715 6674 1 11 . 1 1 104 104 ILE N N 104 119.852 119.852 119.663 0.189 18715 6675 1 11 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.706 0.104 18715 6676 1 11 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.183 -0.575 18715 6677 1 11 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.726 -0.292 18715 6678 1 11 . 1 1 104 104 ILE H H 104 8.163 8.163 7.920 0.243 18715 6679 1 11 . 1 1 105 105 GLU N N 105 121.415 121.415 119.497 1.918 18715 6680 1 11 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.007 0.028 18715 6681 1 11 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.771 -0.137 18715 6682 1 11 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.373 3.383 18715 6683 1 11 . 1 1 105 105 GLU H H 105 8.001 8.001 7.976 0.025 18715 6684 1 11 . 1 1 106 106 GLU N N 106 119.228 119.228 118.681 0.547 18715 6685 1 11 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.105 -0.015 18715 6686 1 11 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.176 0.091 18715 6687 1 11 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.433 0.164 18715 6688 1 11 . 1 1 106 106 GLU H H 106 8.031 8.031 8.075 -0.044 18715 6689 1 11 . 1 1 107 107 GLU N N 107 118.915 118.915 118.621 0.294 18715 6690 1 11 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.204 -0.131 18715 6691 1 11 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.742 0.599 18715 6692 1 11 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.897 -0.027 18715 6693 1 11 . 1 1 107 107 GLU H H 107 8.016 8.016 7.917 0.099 18715 6694 1 11 . 1 1 108 108 GLN N N 108 118.290 118.290 119.633 -1.343 18715 6695 1 11 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.218 -0.071 18715 6696 1 11 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.487 0.920 18715 6697 1 11 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.647 0.198 18715 6698 1 11 . 1 1 108 108 GLN H H 108 8.252 8.252 7.667 0.585 18715 6699 1 11 . 1 1 109 109 ASN N N 109 118.290 118.290 118.116 0.174 18715 6700 1 11 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.369 0.248 18715 6701 1 11 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.314 -1.432 18715 6702 1 11 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.663 -0.138 18715 6703 1 11 . 1 1 109 109 ASN H H 109 8.252 8.252 8.226 0.026 18715 6704 1 11 . 1 1 110 110 LYS N N 110 120.478 120.478 119.702 0.776 18715 6705 1 11 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.095 0.135 18715 6706 1 11 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.786 -0.475 18715 6707 1 11 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.246 0.445 18715 6708 1 11 . 1 1 110 110 LYS H H 110 8.031 8.031 7.569 0.462 18715 6709 1 11 . 1 1 111 111 SER N N 111 114.540 114.540 114.812 -0.272 18715 6710 1 11 . 1 1 111 111 SER HA H 111 4.368 4.368 4.218 0.149 18715 6711 1 11 . 1 1 111 111 SER CA C 111 59.764 59.764 61.436 -1.672 18715 6712 1 11 . 1 1 111 111 SER CB C 111 63.442 63.442 62.880 0.562 18715 6713 1 11 . 1 1 111 111 SER H H 111 8.031 8.031 7.892 0.139 18715 6714 1 11 . 1 1 112 112 LYS N N 112 122.040 122.040 119.730 2.310 18715 6715 1 11 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.105 0.140 18715 6716 1 11 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.647 -1.318 18715 6717 1 11 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.382 0.393 18715 6718 1 11 . 1 1 112 112 LYS H H 112 7.957 7.957 7.810 0.147 18715 6719 1 11 . 1 1 113 113 LYS N N 113 120.790 120.790 117.660 3.130 18715 6720 1 11 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.256 -0.106 18715 6721 1 11 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.617 0.517 18715 6722 1 11 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.902 -0.136 18715 6723 1 11 . 1 1 113 113 LYS H H 113 8.016 8.016 7.671 0.345 18715 6724 1 11 . 1 1 114 114 LYS N N 114 121.728 121.728 120.225 1.503 18715 6725 1 11 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.087 0.176 18715 6726 1 11 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.062 -1.877 18715 6727 1 11 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.311 0.546 18715 6728 1 11 . 1 1 114 114 LYS H H 114 8.119 8.119 7.624 0.495 18715 6729 1 11 . 1 1 115 115 ALA N N 115 124.228 124.228 120.253 3.975 18715 6730 1 11 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.114 0.154 18715 6731 1 11 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.170 -1.135 18715 6732 1 11 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.526 0.512 18715 6733 1 11 . 1 1 115 115 ALA H H 115 8.178 8.178 7.650 0.528 18715 6734 1 11 . 1 1 116 116 GLN N N 116 119.228 119.228 117.633 1.595 18715 6735 1 11 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.445 -0.197 18715 6736 1 11 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.367 1.182 18715 6737 1 11 . 1 1 116 116 GLN H H 116 8.237 8.237 7.652 0.585 18715 6738 1 11 . 1 1 117 117 GLN N N 117 120.478 120.478 118.502 1.976 18715 6739 1 11 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.166 0.103 18715 6740 1 11 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.056 -1.732 18715 6741 1 11 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.396 1.210 18715 6742 1 11 . 1 1 117 117 GLN H H 117 8.266 8.266 7.860 0.406 18715 6743 1 11 . 1 1 118 118 ALA N N 118 124.852 124.852 123.818 1.034 18715 6744 1 11 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.209 0.067 18715 6745 1 11 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.139 -1.302 18715 6746 1 11 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.576 0.486 18715 6747 1 11 . 1 1 118 118 ALA H H 118 8.266 8.266 8.318 -0.052 18715 6748 1 11 . 1 1 119 119 ALA N N 119 122.978 122.978 119.852 3.126 18715 6749 1 11 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.396 -0.102 18715 6750 1 11 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.074 0.563 18715 6751 1 11 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.229 1.972 18715 6752 1 11 . 1 1 119 119 ALA H H 119 8.163 8.163 8.164 -0.001 18715 6753 1 11 . 1 1 120 120 ALA N N 120 122.665 122.665 121.389 1.276 18715 6754 1 11 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.414 -0.137 18715 6755 1 11 . 1 1 120 120 ALA CA C 120 52.736 52.736 51.925 0.811 18715 6756 1 11 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.037 -0.870 18715 6757 1 11 . 1 1 120 120 ALA H H 120 8.163 8.163 7.286 0.877 18715 6758 1 11 . 1 1 121 121 ASP N N 121 119.228 119.228 121.364 -2.136 18715 6759 1 11 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.873 -0.191 18715 6760 1 11 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.163 0.101 18715 6761 1 11 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.006 0.122 18715 6762 1 11 . 1 1 121 121 ASP H H 121 8.252 8.252 8.635 -0.383 18715 6763 1 11 . 1 1 122 122 THR N N 122 113.602 113.602 111.807 1.795 18715 6764 1 11 . 1 1 122 122 THR HA H 122 4.358 4.358 4.398 -0.040 18715 6765 1 11 . 1 1 122 122 THR CA C 122 61.971 61.971 60.487 1.484 18715 6766 1 11 . 1 1 122 122 THR CB C 122 69.586 69.586 70.115 -0.529 18715 6767 1 11 . 1 1 122 122 THR H H 122 8.075 8.075 7.459 0.616 18715 6768 1 11 . 1 1 123 123 GLY N N 123 110.478 110.478 108.639 1.839 18715 6769 1 11 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.059 0.544 18715 6770 1 11 . 1 1 123 123 GLY H H 123 8.414 8.414 8.364 0.050 18715 6771 1 11 . 1 1 124 124 ASN N N 124 118.602 118.602 120.181 -1.579 18715 6772 1 11 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.882 -0.274 18715 6773 1 11 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.306 2.427 18715 6774 1 11 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.578 -2.040 18715 6775 1 11 . 1 1 124 124 ASN H H 124 8.266 8.266 8.163 0.103 18715 6776 1 11 . 1 1 125 125 ASN N N 125 119.228 119.228 119.293 -0.065 18715 6777 1 11 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.739 -0.015 18715 6778 1 11 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.181 0.272 18715 6779 1 11 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.165 -0.352 18715 6780 1 11 . 1 1 125 125 ASN H H 125 8.443 8.443 8.539 -0.096 18715 6781 1 11 . 1 1 126 126 SER N N 126 115.790 115.790 114.504 1.286 18715 6782 1 11 . 1 1 126 126 SER HA H 126 4.388 4.388 4.559 -0.171 18715 6783 1 11 . 1 1 126 126 SER CA C 126 58.851 58.851 57.667 1.184 18715 6784 1 11 . 1 1 126 126 SER CB C 126 63.926 63.926 63.247 0.679 18715 6785 1 11 . 1 1 126 126 SER H H 126 8.266 8.266 8.327 -0.061 18715 6786 1 11 . 1 1 127 127 GLN N N 127 121.728 121.728 123.681 -1.953 18715 6787 1 11 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.447 -0.124 18715 6788 1 11 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.493 0.730 18715 6789 1 11 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.993 -0.825 18715 6790 1 11 . 1 1 127 127 GLN H H 127 8.355 8.355 8.404 -0.049 18715 6791 1 11 . 1 1 128 128 VAL N N 128 119.852 119.852 119.318 0.534 18715 6792 1 11 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.087 0.022 18715 6793 1 11 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.298 0.367 18715 6794 1 11 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.518 0.251 18715 6795 1 11 . 1 1 128 128 VAL H H 128 7.986 7.986 8.315 -0.329 18715 6796 1 11 . 1 1 129 129 SER N N 129 117.978 117.978 114.876 3.102 18715 6797 1 11 . 1 1 129 129 SER HA H 129 4.136 4.136 4.698 -0.562 18715 6798 1 11 . 1 1 129 129 SER CA C 129 58.404 58.404 57.604 0.800 18715 6799 1 11 . 1 1 129 129 SER CB C 129 63.755 63.755 64.573 -0.818 18715 6800 1 11 . 1 1 129 129 SER H H 129 8.252 8.252 8.235 0.017 18715 6801 1 11 . 1 1 130 130 GLN N N 130 121.728 121.728 120.165 1.563 18715 6802 1 11 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.257 0.098 18715 6803 1 11 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.295 -0.145 18715 6804 1 11 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.310 0.063 18715 6805 1 11 . 1 1 130 130 GLN H H 130 8.355 8.355 8.442 -0.087 18715 6806 1 11 . 1 1 131 131 ASN N N 131 118.290 118.290 118.087 0.203 18715 6807 1 11 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.626 0.006 18715 6808 1 11 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.632 0.936 18715 6809 1 11 . 1 1 131 131 ASN H H 131 8.252 8.252 8.359 -0.107 18715 6810 1 12 . 1 1 3 3 ALA N N 3 123.842 123.842 123.722 0.120 18715 6811 1 12 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.677 -0.349 18715 6812 1 12 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.803 0.734 18715 6813 1 12 . 1 1 3 3 ALA CB C 3 17.251 17.251 20.787 -3.536 18715 6814 1 12 . 1 1 3 3 ALA H H 3 8.183 8.183 8.185 -0.002 18715 6815 1 12 . 1 1 4 4 ARG N N 4 120.165 120.165 120.779 -0.614 18715 6816 1 12 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.702 -0.446 18715 6817 1 12 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.279 -0.314 18715 6818 1 12 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.420 0.541 18715 6819 1 12 . 1 1 4 4 ARG H H 4 8.429 8.429 8.546 -0.117 18715 6820 1 12 . 1 1 5 5 ALA N N 5 125.165 125.165 127.452 -2.287 18715 6821 1 12 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.524 -0.242 18715 6822 1 12 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.928 0.443 18715 6823 1 12 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.732 -1.060 18715 6824 1 12 . 1 1 5 5 ALA H H 5 8.370 8.370 8.424 -0.054 18715 6825 1 12 . 1 1 6 6 SER N N 6 114.540 114.540 117.001 -2.461 18715 6826 1 12 . 1 1 6 6 SER HA H 6 4.479 4.479 4.651 -0.172 18715 6827 1 12 . 1 1 6 6 SER CA C 6 57.804 57.804 57.732 0.072 18715 6828 1 12 . 1 1 6 6 SER CB C 6 64.034 64.034 62.813 1.221 18715 6829 1 12 . 1 1 6 6 SER H H 6 8.134 8.134 8.507 -0.373 18715 6830 1 12 . 1 1 7 7 VAL N N 7 121.415 121.415 124.599 -3.184 18715 6831 1 12 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.794 -0.177 18715 6832 1 12 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.607 1.104 18715 6833 1 12 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.135 -0.199 18715 6834 1 12 . 1 1 7 7 VAL H H 7 8.119 8.119 8.518 -0.399 18715 6835 1 12 . 1 1 8 8 LEU N N 8 115.478 115.478 116.384 -0.906 18715 6836 1 12 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.810 0.122 18715 6837 1 12 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.042 -0.535 18715 6838 1 12 . 1 1 8 8 LEU CB C 8 44.303 44.303 44.019 0.284 18715 6839 1 12 . 1 1 8 8 LEU H H 8 7.382 7.382 7.430 -0.048 18715 6840 1 12 . 1 1 9 9 SER N N 9 118.290 118.290 118.509 -0.219 18715 6841 1 12 . 1 1 9 9 SER HA H 9 4.606 4.606 4.592 0.014 18715 6842 1 12 . 1 1 9 9 SER CA C 9 57.197 57.197 57.503 -0.306 18715 6843 1 12 . 1 1 9 9 SER CB C 9 65.426 65.426 65.536 -0.110 18715 6844 1 12 . 1 1 9 9 SER H H 9 9.166 9.166 8.966 0.200 18715 6845 1 12 . 1 1 10 10 GLY N N 10 109.228 109.228 108.579 0.649 18715 6846 1 12 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.864 0.810 18715 6847 1 12 . 1 1 10 10 GLY H H 10 8.959 8.959 8.686 0.273 18715 6848 1 12 . 1 1 11 11 GLY N N 11 111.102 111.102 109.831 1.271 18715 6849 1 12 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.465 0.196 18715 6850 1 12 . 1 1 11 11 GLY H H 11 8.782 8.782 7.837 0.945 18715 6851 1 12 . 1 1 12 12 GLU N N 12 120.165 120.165 122.065 -1.900 18715 6852 1 12 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.117 -0.167 18715 6853 1 12 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.457 0.639 18715 6854 1 12 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.566 1.724 18715 6855 1 12 . 1 1 12 12 GLU H H 12 7.751 7.751 7.563 0.188 18715 6856 1 12 . 1 1 13 13 LEU N N 13 121.415 121.415 121.754 -0.339 18715 6857 1 12 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.000 0.108 18715 6858 1 12 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.426 -0.364 18715 6859 1 12 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.844 -0.908 18715 6860 1 12 . 1 1 13 13 LEU H H 13 8.340 8.340 8.433 -0.093 18715 6861 1 12 . 1 1 14 14 ASP N N 14 116.415 116.415 119.197 -2.782 18715 6862 1 12 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.396 -0.003 18715 6863 1 12 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.547 -0.410 18715 6864 1 12 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.301 0.785 18715 6865 1 12 . 1 1 14 14 ASP H H 14 7.574 7.574 7.838 -0.264 18715 6866 1 12 . 1 1 15 15 LYS N N 15 115.478 115.478 120.435 -4.957 18715 6867 1 12 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.126 -0.080 18715 6868 1 12 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.306 -0.904 18715 6869 1 12 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.350 0.009 18715 6870 1 12 . 1 1 15 15 LYS H H 15 7.117 7.117 7.457 -0.340 18715 6871 1 12 . 1 1 16 16 TRP N N 16 121.693 121.693 120.967 0.726 18715 6872 1 12 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.132 -0.107 18715 6873 1 12 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.760 -0.474 18715 6874 1 12 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.525 1.588 18715 6875 1 12 . 1 1 16 16 TRP H H 16 8.646 8.646 8.678 -0.032 18715 6876 1 12 . 1 1 17 17 GLU N N 17 127.710 127.710 115.906 11.804 18715 6877 1 12 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.360 0.331 18715 6878 1 12 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.611 -1.842 18715 6879 1 12 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.483 0.262 18715 6880 1 12 . 1 1 17 17 GLU H H 17 7.571 7.571 8.072 -0.501 18715 6881 1 12 . 1 1 18 18 LYS N N 18 115.790 115.790 118.639 -2.849 18715 6882 1 12 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.172 0.325 18715 6883 1 12 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.150 -1.581 18715 6884 1 12 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.954 0.985 18715 6885 1 12 . 1 1 18 18 LYS H H 18 7.456 7.456 7.374 0.082 18715 6886 1 12 . 1 1 19 19 ILE N N 19 124.228 124.228 120.453 3.775 18715 6887 1 12 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.947 -0.390 18715 6888 1 12 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.531 -0.410 18715 6889 1 12 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.652 0.530 18715 6890 1 12 . 1 1 19 19 ILE H H 19 7.633 7.633 7.995 -0.362 18715 6891 1 12 . 1 1 20 20 ARG N N 20 125.790 125.790 123.766 2.024 18715 6892 1 12 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.460 -0.032 18715 6893 1 12 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.853 1.642 18715 6894 1 12 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.778 -0.241 18715 6895 1 12 . 1 1 20 20 ARG H H 20 8.031 8.031 8.357 -0.326 18715 6896 1 12 . 1 1 21 21 LEU N N 21 120.165 120.165 120.391 -0.226 18715 6897 1 12 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.929 -0.483 18715 6898 1 12 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.955 1.280 18715 6899 1 12 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.044 -0.508 18715 6900 1 12 . 1 1 21 21 LEU H H 21 7.810 7.810 7.767 0.043 18715 6901 1 12 . 1 1 22 22 ARG N N 22 119.540 119.540 115.727 3.813 18715 6902 1 12 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.649 0.196 18715 6903 1 12 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.315 -0.471 18715 6904 1 12 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.633 -1.016 18715 6905 1 12 . 1 1 22 22 ARG H H 22 8.974 8.974 7.655 1.319 18715 6906 1 12 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.535 -0.175 18715 6907 1 12 . 1 1 23 23 PRO CA C 23 63.436 63.436 63.946 -0.510 18715 6908 1 12 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.310 -0.745 18715 6909 1 12 . 1 1 24 24 GLY N N 24 112.665 112.665 107.259 5.406 18715 6910 1 12 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.794 1.011 18715 6911 1 12 . 1 1 24 24 GLY H H 24 9.138 9.138 8.030 1.108 18715 6912 1 12 . 1 1 25 25 GLY N N 25 107.978 107.978 108.658 -0.680 18715 6913 1 12 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.596 -0.024 18715 6914 1 12 . 1 1 25 25 GLY H H 25 8.134 8.134 7.755 0.379 18715 6915 1 12 . 1 1 26 26 LYS N N 26 117.665 117.665 119.654 -1.989 18715 6916 1 12 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.485 -0.221 18715 6917 1 12 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.184 0.669 18715 6918 1 12 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.108 0.948 18715 6919 1 12 . 1 1 26 26 LYS H H 26 8.665 8.665 8.256 0.409 18715 6920 1 12 . 1 1 27 27 LYS N N 27 117.925 117.925 120.053 -2.128 18715 6921 1 12 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.546 -0.235 18715 6922 1 12 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.240 0.971 18715 6923 1 12 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.378 -0.500 18715 6924 1 12 . 1 1 27 27 LYS H H 27 7.817 7.817 7.850 -0.033 18715 6925 1 12 . 1 1 28 28 GLN N N 28 122.978 122.978 121.767 1.211 18715 6926 1 12 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.305 0.511 18715 6927 1 12 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.487 -1.014 18715 6928 1 12 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.944 4.110 18715 6929 1 12 . 1 1 28 28 GLN H H 28 8.458 8.458 8.385 0.073 18715 6930 1 12 . 1 1 29 29 TYR N N 29 119.540 119.540 119.261 0.279 18715 6931 1 12 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.485 -0.753 18715 6932 1 12 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.867 2.143 18715 6933 1 12 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.467 -2.251 18715 6934 1 12 . 1 1 29 29 TYR H H 29 7.824 7.824 8.488 -0.664 18715 6935 1 12 . 1 1 30 30 LYS N N 30 117.978 117.978 120.169 -2.191 18715 6936 1 12 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.880 0.336 18715 6937 1 12 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.681 -0.616 18715 6938 1 12 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.011 2.576 18715 6939 1 12 . 1 1 30 30 LYS H H 30 10.610 10.610 9.227 1.383 18715 6940 1 12 . 1 1 31 31 LEU N N 31 128.602 128.602 124.146 4.456 18715 6941 1 12 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.131 0.050 18715 6942 1 12 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.182 1.052 18715 6943 1 12 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.959 -0.958 18715 6944 1 12 . 1 1 31 31 LEU H H 31 9.991 9.991 9.054 0.937 18715 6945 1 12 . 1 1 32 32 LYS N N 32 115.165 115.165 118.668 -3.503 18715 6946 1 12 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.930 0.215 18715 6947 1 12 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.250 -0.153 18715 6948 1 12 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.818 -0.259 18715 6949 1 12 . 1 1 32 32 LYS H H 32 8.399 8.399 8.626 -0.227 18715 6950 1 12 . 1 1 33 33 HIS N N 33 119.540 119.540 116.691 2.849 18715 6951 1 12 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.673 -0.069 18715 6952 1 12 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.657 3.234 18715 6953 1 12 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.492 2.292 18715 6954 1 12 . 1 1 33 33 HIS H H 33 8.193 8.193 7.965 0.228 18715 6955 1 12 . 1 1 34 34 ILE N N 34 119.540 119.540 120.763 -1.223 18715 6956 1 12 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.898 -0.104 18715 6957 1 12 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.834 -0.986 18715 6958 1 12 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.595 -0.616 18715 6959 1 12 . 1 1 34 34 ILE H H 34 7.898 7.898 7.491 0.407 18715 6960 1 12 . 1 1 35 35 VAL N N 35 122.040 122.040 119.258 2.782 18715 6961 1 12 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.815 -0.203 18715 6962 1 12 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.560 1.186 18715 6963 1 12 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.056 1.086 18715 6964 1 12 . 1 1 35 35 VAL H H 35 7.706 7.706 8.544 -0.838 18715 6965 1 12 . 1 1 36 36 TRP N N 36 119.986 119.986 122.093 -2.107 18715 6966 1 12 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.185 0.048 18715 6967 1 12 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.078 0.032 18715 6968 1 12 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.274 -0.862 18715 6969 1 12 . 1 1 36 36 TRP H H 36 8.452 8.452 7.739 0.713 18715 6970 1 12 . 1 1 37 37 ALA N N 37 120.478 120.478 120.411 0.067 18715 6971 1 12 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.558 -0.168 18715 6972 1 12 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.209 -0.096 18715 6973 1 12 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.206 -0.776 18715 6974 1 12 . 1 1 37 37 ALA H H 37 8.311 8.311 8.246 0.065 18715 6975 1 12 . 1 1 38 38 SER N N 38 111.415 111.415 114.406 -2.991 18715 6976 1 12 . 1 1 38 38 SER HA H 38 3.906 3.906 4.067 -0.161 18715 6977 1 12 . 1 1 38 38 SER CA C 38 62.801 62.801 62.197 0.604 18715 6978 1 12 . 1 1 38 38 SER CB C 38 62.829 62.829 62.710 0.119 18715 6979 1 12 . 1 1 38 38 SER H H 38 8.259 8.259 7.702 0.557 18715 6980 1 12 . 1 1 39 39 ARG N N 39 119.852 119.852 120.949 -1.097 18715 6981 1 12 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.964 0.182 18715 6982 1 12 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.302 -0.892 18715 6983 1 12 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.116 -0.108 18715 6984 1 12 . 1 1 39 39 ARG H H 39 7.559 7.559 7.627 -0.068 18715 6985 1 12 . 1 1 40 40 GLU N N 40 121.102 121.102 119.304 1.798 18715 6986 1 12 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.795 -0.008 18715 6987 1 12 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.388 -0.107 18715 6988 1 12 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.067 0.607 18715 6989 1 12 . 1 1 40 40 GLU H H 40 8.222 8.222 7.368 0.854 18715 6990 1 12 . 1 1 41 41 LEU N N 41 117.040 117.040 120.985 -3.945 18715 6991 1 12 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.047 -0.094 18715 6992 1 12 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.946 0.377 18715 6993 1 12 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.072 -1.892 18715 6994 1 12 . 1 1 41 41 LEU H H 41 8.016 8.016 8.097 -0.081 18715 6995 1 12 . 1 1 42 42 GLU N N 42 117.352 117.352 118.788 -1.436 18715 6996 1 12 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.125 0.002 18715 6997 1 12 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.322 0.249 18715 6998 1 12 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.303 0.362 18715 6999 1 12 . 1 1 42 42 GLU H H 42 7.559 7.559 7.910 -0.351 18715 7000 1 12 . 1 1 43 43 ARG N N 43 119.540 119.540 118.945 0.595 18715 7001 1 12 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.029 0.013 18715 7002 1 12 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.044 0.446 18715 7003 1 12 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.981 -0.316 18715 7004 1 12 . 1 1 43 43 ARG H H 43 7.647 7.647 7.292 0.355 18715 7005 1 12 . 1 1 44 44 PHE N N 44 117.665 117.665 118.391 -0.726 18715 7006 1 12 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.675 -0.061 18715 7007 1 12 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.246 1.112 18715 7008 1 12 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.299 0.867 18715 7009 1 12 . 1 1 44 44 PHE H H 44 7.529 7.529 7.656 -0.127 18715 7010 1 12 . 1 1 45 45 ALA N N 45 118.915 118.915 119.371 -0.456 18715 7011 1 12 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.940 0.075 18715 7012 1 12 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.254 0.161 18715 7013 1 12 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.834 -0.555 18715 7014 1 12 . 1 1 45 45 ALA H H 45 7.928 7.928 7.602 0.326 18715 7015 1 12 . 1 1 46 46 VAL N N 46 119.540 119.540 119.123 0.417 18715 7016 1 12 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.187 -0.092 18715 7017 1 12 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.770 0.051 18715 7018 1 12 . 1 1 46 46 VAL CB C 46 33.366 33.366 34.333 -0.966 18715 7019 1 12 . 1 1 46 46 VAL H H 46 7.765 7.765 7.640 0.125 18715 7020 1 12 . 1 1 47 47 ASN N N 47 125.790 125.790 127.001 -1.211 18715 7021 1 12 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.757 -0.111 18715 7022 1 12 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.307 -1.310 18715 7023 1 12 . 1 1 47 47 ASN CB C 47 39.086 39.086 37.944 1.142 18715 7024 1 12 . 1 1 47 47 ASN H H 47 8.399 8.399 8.869 -0.470 18715 7025 1 12 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.357 -0.135 18715 7026 1 12 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.395 -0.081 18715 7027 1 12 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.873 -0.133 18715 7028 1 12 . 1 1 49 49 GLY N N 49 108.290 108.290 108.054 0.236 18715 7029 1 12 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.344 0.186 18715 7030 1 12 . 1 1 49 49 GLY H H 49 8.620 8.620 8.626 -0.006 18715 7031 1 12 . 1 1 50 50 LEU N N 50 121.728 121.728 121.449 0.279 18715 7032 1 12 . 1 1 50 50 LEU HA H 50 4.146 4.146 3.974 0.172 18715 7033 1 12 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.674 0.567 18715 7034 1 12 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.758 -0.195 18715 7035 1 12 . 1 1 50 50 LEU H H 50 7.765 7.765 7.485 0.280 18715 7036 1 12 . 1 1 51 51 LEU N N 51 112.040 112.040 117.052 -5.012 18715 7037 1 12 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.141 0.097 18715 7038 1 12 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.924 -0.417 18715 7039 1 12 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.920 0.570 18715 7040 1 12 . 1 1 51 51 LEU H H 51 7.412 7.412 7.568 -0.156 18715 7041 1 12 . 1 1 52 52 GLU N N 52 114.540 114.540 116.844 -2.304 18715 7042 1 12 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.356 -0.301 18715 7043 1 12 . 1 1 52 52 GLU CA C 52 58.384 58.384 57.145 1.239 18715 7044 1 12 . 1 1 52 52 GLU CB C 52 31.058 31.058 30.330 0.728 18715 7045 1 12 . 1 1 52 52 GLU H H 52 7.500 7.500 7.859 -0.359 18715 7046 1 12 . 1 1 53 53 THR N N 53 122.978 122.978 110.890 12.088 18715 7047 1 12 . 1 1 53 53 THR HA H 53 4.402 4.402 4.440 -0.038 18715 7048 1 12 . 1 1 53 53 THR CA C 53 58.306 58.306 60.355 -2.049 18715 7049 1 12 . 1 1 53 53 THR CB C 53 73.222 73.222 71.663 1.559 18715 7050 1 12 . 1 1 53 53 THR H H 53 7.235 7.235 7.361 -0.126 18715 7051 1 12 . 1 1 54 54 SER N N 54 119.228 119.228 121.096 -1.868 18715 7052 1 12 . 1 1 54 54 SER HA H 54 4.043 4.043 4.184 -0.141 18715 7053 1 12 . 1 1 54 54 SER CA C 54 62.657 62.657 62.097 0.560 18715 7054 1 12 . 1 1 54 54 SER CB C 54 62.562 62.562 62.688 -0.126 18715 7055 1 12 . 1 1 54 54 SER H H 54 9.313 9.313 8.879 0.434 18715 7056 1 12 . 1 1 55 55 GLU N N 55 121.233 121.233 121.731 -0.498 18715 7057 1 12 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.262 -0.193 18715 7058 1 12 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.699 0.976 18715 7059 1 12 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.401 -0.402 18715 7060 1 12 . 1 1 55 55 GLU H H 55 8.975 8.975 8.508 0.467 18715 7061 1 12 . 1 1 56 56 GLY N N 56 110.790 110.790 108.429 2.361 18715 7062 1 12 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.242 0.624 18715 7063 1 12 . 1 1 56 56 GLY H H 56 8.517 8.517 8.291 0.226 18715 7064 1 12 . 1 1 57 57 CYS N N 57 118.602 118.602 120.228 -1.626 18715 7065 1 12 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.110 -0.090 18715 7066 1 12 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.614 -0.012 18715 7067 1 12 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.634 20.161 18715 7068 1 12 . 1 1 57 57 CYS H H 57 8.122 8.122 7.919 0.203 18715 7069 1 12 . 1 1 58 58 ARG N N 58 119.540 119.540 119.794 -0.254 18715 7070 1 12 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.666 -0.116 18715 7071 1 12 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.970 -0.263 18715 7072 1 12 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.796 -0.347 18715 7073 1 12 . 1 1 58 58 ARG H H 58 8.488 8.488 7.810 0.678 18715 7074 1 12 . 1 1 59 59 GLN N N 59 119.852 119.852 118.509 1.343 18715 7075 1 12 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.136 -0.084 18715 7076 1 12 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.817 0.583 18715 7077 1 12 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.478 -0.244 18715 7078 1 12 . 1 1 59 59 GLN H H 59 8.016 8.016 7.631 0.385 18715 7079 1 12 . 1 1 60 60 ILE N N 60 120.790 120.790 119.923 0.867 18715 7080 1 12 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.746 -0.135 18715 7081 1 12 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.111 0.479 18715 7082 1 12 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.153 -0.303 18715 7083 1 12 . 1 1 60 60 ILE H H 60 8.163 8.163 7.576 0.587 18715 7084 1 12 . 1 1 61 61 LEU N N 61 118.915 118.915 120.148 -1.233 18715 7085 1 12 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.120 -0.225 18715 7086 1 12 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.696 0.958 18715 7087 1 12 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.560 -0.784 18715 7088 1 12 . 1 1 61 61 LEU H H 61 8.370 8.370 8.778 -0.408 18715 7089 1 12 . 1 1 62 62 GLY N N 62 104.332 104.332 107.452 -3.120 18715 7090 1 12 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.110 0.074 18715 7091 1 12 . 1 1 62 62 GLY H H 62 7.883 7.883 8.378 -0.495 18715 7092 1 12 . 1 1 63 63 GLN N N 63 119.852 119.852 118.577 1.275 18715 7093 1 12 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.275 -0.123 18715 7094 1 12 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.718 0.276 18715 7095 1 12 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.910 0.289 18715 7096 1 12 . 1 1 63 63 GLN H H 63 7.795 7.795 7.778 0.017 18715 7097 1 12 . 1 1 64 64 LEU N N 64 117.040 117.040 119.941 -2.901 18715 7098 1 12 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.085 0.196 18715 7099 1 12 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.646 -0.545 18715 7100 1 12 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.779 2.464 18715 7101 1 12 . 1 1 64 64 LEU H H 64 8.252 8.252 7.278 0.974 18715 7102 1 12 . 1 1 65 65 GLN N N 65 118.915 118.915 119.603 -0.688 18715 7103 1 12 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.754 0.025 18715 7104 1 12 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.915 0.632 18715 7105 1 12 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.903 -1.039 18715 7106 1 12 . 1 1 65 65 GLN H H 65 8.104 8.104 8.540 -0.436 18715 7107 1 12 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.333 0.050 18715 7108 1 12 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.978 0.939 18715 7109 1 12 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.235 -0.136 18715 7110 1 12 . 1 1 67 67 SER N N 67 111.415 111.415 114.859 -3.444 18715 7111 1 12 . 1 1 67 67 SER HA H 67 4.493 4.493 4.305 0.188 18715 7112 1 12 . 1 1 67 67 SER CA C 67 59.696 59.696 60.384 -0.688 18715 7113 1 12 . 1 1 67 67 SER CB C 67 64.031 64.031 63.064 0.967 18715 7114 1 12 . 1 1 67 67 SER H H 67 7.824 7.824 7.503 0.321 18715 7115 1 12 . 1 1 68 68 LEU N N 68 121.102 121.102 121.709 -0.607 18715 7116 1 12 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.835 -0.019 18715 7117 1 12 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.894 0.054 18715 7118 1 12 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.436 0.333 18715 7119 1 12 . 1 1 68 68 LEU H H 68 7.647 7.647 8.045 -0.398 18715 7120 1 12 . 1 1 69 69 GLN N N 69 116.415 116.415 119.051 -2.636 18715 7121 1 12 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.072 -0.003 18715 7122 1 12 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.301 0.169 18715 7123 1 12 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.997 -0.569 18715 7124 1 12 . 1 1 69 69 GLN H H 69 8.060 8.060 8.176 -0.116 18715 7125 1 12 . 1 1 70 70 THR N N 70 106.728 106.728 111.855 -5.127 18715 7126 1 12 . 1 1 70 70 THR HA H 70 4.481 4.481 4.550 -0.069 18715 7127 1 12 . 1 1 70 70 THR CA C 70 61.291 61.291 61.498 -0.207 18715 7128 1 12 . 1 1 70 70 THR CB C 70 69.415 69.415 69.575 -0.160 18715 7129 1 12 . 1 1 70 70 THR H H 70 7.515 7.515 7.807 -0.292 18715 7130 1 12 . 1 1 71 71 GLY N N 71 109.540 109.540 110.423 -0.883 18715 7131 1 12 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.084 1.469 18715 7132 1 12 . 1 1 71 71 GLY H H 71 7.692 7.692 7.465 0.227 18715 7133 1 12 . 1 1 72 72 SER N N 72 114.540 114.540 115.373 -0.833 18715 7134 1 12 . 1 1 72 72 SER HA H 72 4.625 4.625 4.752 -0.127 18715 7135 1 12 . 1 1 72 72 SER CA C 72 57.319 57.319 57.165 0.154 18715 7136 1 12 . 1 1 72 72 SER CB C 72 64.599 64.599 65.582 -0.983 18715 7137 1 12 . 1 1 72 72 SER H H 72 8.045 8.045 8.172 -0.127 18715 7138 1 12 . 1 1 73 73 GLU N N 73 124.228 124.228 121.243 2.985 18715 7139 1 12 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.054 0.033 18715 7140 1 12 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.395 -1.015 18715 7141 1 12 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.552 -0.250 18715 7142 1 12 . 1 1 73 73 GLU H H 73 9.092 9.092 8.945 0.147 18715 7143 1 12 . 1 1 74 74 GLU N N 74 120.165 120.165 119.580 0.585 18715 7144 1 12 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.343 -0.054 18715 7145 1 12 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.555 0.673 18715 7146 1 12 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.475 -0.013 18715 7147 1 12 . 1 1 74 74 GLU H H 74 8.665 8.665 7.848 0.817 18715 7148 1 12 . 1 1 75 75 LEU N N 75 121.415 121.415 120.961 0.454 18715 7149 1 12 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.095 0.066 18715 7150 1 12 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.233 -0.280 18715 7151 1 12 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.011 -0.744 18715 7152 1 12 . 1 1 75 75 LEU H H 75 7.765 7.765 7.743 0.022 18715 7153 1 12 . 1 1 76 76 ARG N N 76 119.228 119.228 119.270 -0.042 18715 7154 1 12 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.997 -0.064 18715 7155 1 12 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.012 -0.330 18715 7156 1 12 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.332 -1.135 18715 7157 1 12 . 1 1 76 76 ARG H H 76 7.868 7.868 8.634 -0.766 18715 7158 1 12 . 1 1 77 77 SER N N 77 114.228 114.228 115.925 -1.697 18715 7159 1 12 . 1 1 77 77 SER HA H 77 4.263 4.263 4.212 0.051 18715 7160 1 12 . 1 1 77 77 SER CA C 77 62.668 62.668 62.398 0.270 18715 7161 1 12 . 1 1 77 77 SER CB C 77 62.849 62.849 62.728 0.121 18715 7162 1 12 . 1 1 77 77 SER H H 77 8.576 8.576 8.520 0.056 18715 7163 1 12 . 1 1 78 78 LEU N N 78 125.790 125.790 123.328 2.462 18715 7164 1 12 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.311 0.110 18715 7165 1 12 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.190 0.772 18715 7166 1 12 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.346 0.697 18715 7167 1 12 . 1 1 78 78 LEU H H 78 8.458 8.458 8.233 0.225 18715 7168 1 12 . 1 1 79 79 TYR N N 79 119.852 119.852 119.663 0.189 18715 7169 1 12 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.030 -0.369 18715 7170 1 12 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.048 0.754 18715 7171 1 12 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.273 0.921 18715 7172 1 12 . 1 1 79 79 TYR H H 79 8.694 8.694 8.233 0.461 18715 7173 1 12 . 1 1 80 80 ASN N N 80 117.040 117.040 117.961 -0.921 18715 7174 1 12 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.513 -0.229 18715 7175 1 12 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.100 -0.313 18715 7176 1 12 . 1 1 80 80 ASN CB C 80 37.839 37.839 37.750 0.089 18715 7177 1 12 . 1 1 80 80 ASN H H 80 8.871 8.871 8.041 0.830 18715 7178 1 12 . 1 1 81 81 THR N N 81 115.790 115.790 119.287 -3.497 18715 7179 1 12 . 1 1 81 81 THR HA H 81 3.945 3.945 4.268 -0.323 18715 7180 1 12 . 1 1 81 81 THR CA C 81 67.855 67.855 67.374 0.481 18715 7181 1 12 . 1 1 81 81 THR CB C 81 69.140 69.140 69.079 0.061 18715 7182 1 12 . 1 1 81 81 THR H H 81 8.119 8.119 8.186 -0.067 18715 7183 1 12 . 1 1 82 82 ILE N N 82 121.102 121.102 121.048 0.054 18715 7184 1 12 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.751 -0.083 18715 7185 1 12 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.595 -1.075 18715 7186 1 12 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.408 -0.922 18715 7187 1 12 . 1 1 82 82 ILE H H 82 8.090 8.090 8.691 -0.601 18715 7188 1 12 . 1 1 83 83 ALA N N 83 125.165 125.165 123.061 2.104 18715 7189 1 12 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.881 0.010 18715 7190 1 12 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.283 0.572 18715 7191 1 12 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.950 -0.102 18715 7192 1 12 . 1 1 83 83 ALA H H 83 8.782 8.782 7.387 1.395 18715 7193 1 12 . 1 1 84 84 VAL N N 84 117.665 117.665 118.680 -1.015 18715 7194 1 12 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.646 -0.318 18715 7195 1 12 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.240 1.225 18715 7196 1 12 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.606 0.089 18715 7197 1 12 . 1 1 84 84 VAL H H 84 7.795 7.795 7.595 0.200 18715 7198 1 12 . 1 1 85 85 LEU N N 85 122.040 122.040 121.206 0.834 18715 7199 1 12 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.967 -0.152 18715 7200 1 12 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.488 -0.178 18715 7201 1 12 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.835 0.313 18715 7202 1 12 . 1 1 85 85 LEU H H 85 8.163 8.163 8.147 0.016 18715 7203 1 12 . 1 1 86 86 TYR N N 86 118.915 118.915 120.010 -1.095 18715 7204 1 12 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.042 -0.130 18715 7205 1 12 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.729 1.089 18715 7206 1 12 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.223 0.064 18715 7207 1 12 . 1 1 86 86 TYR H H 86 9.062 9.062 8.431 0.631 18715 7208 1 12 . 1 1 87 87 CYS N N 87 116.102 116.102 115.554 0.548 18715 7209 1 12 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.881 -0.087 18715 7210 1 12 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.450 1.516 18715 7211 1 12 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.406 20.151 18715 7212 1 12 . 1 1 87 87 CYS H H 87 7.515 7.515 8.517 -1.002 18715 7213 1 12 . 1 1 88 88 VAL N N 88 119.978 119.978 120.008 -0.030 18715 7214 1 12 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.723 0.155 18715 7215 1 12 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.137 0.309 18715 7216 1 12 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.441 0.055 18715 7217 1 12 . 1 1 88 88 VAL H H 88 8.448 8.448 7.512 0.936 18715 7218 1 12 . 1 1 89 89 HIS N N 89 118.915 118.915 116.274 2.641 18715 7219 1 12 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.386 0.489 18715 7220 1 12 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.403 -0.283 18715 7221 1 12 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.296 -0.213 18715 7222 1 12 . 1 1 89 89 HIS H H 89 8.797 8.797 7.413 1.384 18715 7223 1 12 . 1 1 90 90 GLN N N 90 116.728 116.728 116.998 -0.270 18715 7224 1 12 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.102 0.283 18715 7225 1 12 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.379 -2.090 18715 7226 1 12 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.702 1.250 18715 7227 1 12 . 1 1 90 90 GLN H H 90 7.986 7.986 8.037 -0.051 18715 7228 1 12 . 1 1 91 91 ARG N N 91 115.165 115.165 114.841 0.324 18715 7229 1 12 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.356 -0.343 18715 7230 1 12 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.470 0.713 18715 7231 1 12 . 1 1 91 91 ARG CB C 91 26.049 26.049 30.256 -4.207 18715 7232 1 12 . 1 1 91 91 ARG H H 91 7.883 7.883 7.841 0.042 18715 7233 1 12 . 1 1 92 92 ILE N N 92 120.087 120.087 122.666 -2.579 18715 7234 1 12 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.033 -0.048 18715 7235 1 12 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.804 -2.148 18715 7236 1 12 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.310 0.620 18715 7237 1 12 . 1 1 92 92 ILE H H 92 8.335 8.335 7.888 0.447 18715 7238 1 12 . 1 1 93 93 ASP N N 93 129.228 129.228 127.528 1.700 18715 7239 1 12 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.789 -0.304 18715 7240 1 12 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.064 1.979 18715 7241 1 12 . 1 1 93 93 ASP CB C 93 40.396 40.396 39.974 0.422 18715 7242 1 12 . 1 1 93 93 ASP H H 93 8.620 8.620 8.441 0.179 18715 7243 1 12 . 1 1 94 94 VAL N N 94 115.790 115.790 114.600 1.190 18715 7244 1 12 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.023 0.610 18715 7245 1 12 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.773 -3.653 18715 7246 1 12 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.466 3.046 18715 7247 1 12 . 1 1 94 94 VAL H H 94 7.751 7.751 7.351 0.400 18715 7248 1 12 . 1 1 95 95 LYS N N 95 118.915 118.915 120.457 -1.542 18715 7249 1 12 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.384 0.009 18715 7250 1 12 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.694 -1.023 18715 7251 1 12 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.139 -0.131 18715 7252 1 12 . 1 1 95 95 LYS H H 95 9.239 9.239 8.467 0.772 18715 7253 1 12 . 1 1 96 96 ASP N N 96 112.040 112.040 113.059 -1.019 18715 7254 1 12 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.390 0.172 18715 7255 1 12 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.075 0.754 18715 7256 1 12 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.443 1.161 18715 7257 1 12 . 1 1 96 96 ASP H H 96 7.412 7.412 7.501 -0.089 18715 7258 1 12 . 1 1 97 97 THR N N 97 109.540 109.540 114.088 -4.548 18715 7259 1 12 . 1 1 97 97 THR HA H 97 3.661 3.661 4.043 -0.382 18715 7260 1 12 . 1 1 97 97 THR CA C 97 65.947 65.947 66.664 -0.717 18715 7261 1 12 . 1 1 97 97 THR CB C 97 70.285 70.285 69.128 1.157 18715 7262 1 12 . 1 1 97 97 THR H H 97 7.250 7.250 8.198 -0.948 18715 7263 1 12 . 1 1 98 98 LYS N N 98 121.102 121.102 122.639 -1.537 18715 7264 1 12 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.955 -0.010 18715 7265 1 12 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.413 0.215 18715 7266 1 12 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.786 0.141 18715 7267 1 12 . 1 1 98 98 LYS H H 98 7.868 7.868 8.395 -0.527 18715 7268 1 12 . 1 1 99 99 GLU N N 99 119.228 119.228 118.678 0.550 18715 7269 1 12 . 1 1 99 99 GLU HA H 99 4.077 4.077 3.984 0.093 18715 7270 1 12 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.436 0.359 18715 7271 1 12 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.604 0.642 18715 7272 1 12 . 1 1 99 99 GLU H H 99 8.384 8.384 8.717 -0.333 18715 7273 1 12 . 1 1 100 100 ALA N N 100 118.915 118.915 122.294 -3.379 18715 7274 1 12 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.114 0.272 18715 7275 1 12 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.002 0.394 18715 7276 1 12 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.464 1.295 18715 7277 1 12 . 1 1 100 100 ALA H H 100 7.382 7.382 7.468 -0.086 18715 7278 1 12 . 1 1 101 101 LEU N N 101 117.978 117.978 115.737 2.241 18715 7279 1 12 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.043 -0.023 18715 7280 1 12 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.137 0.838 18715 7281 1 12 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.599 -0.106 18715 7282 1 12 . 1 1 101 101 LEU H H 101 8.119 8.119 7.783 0.336 18715 7283 1 12 . 1 1 102 102 ASP N N 102 120.478 120.478 120.485 -0.007 18715 7284 1 12 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.523 -0.156 18715 7285 1 12 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.007 0.345 18715 7286 1 12 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.932 -1.210 18715 7287 1 12 . 1 1 102 102 ASP H H 102 8.679 8.679 7.777 0.902 18715 7288 1 12 . 1 1 103 103 LYS N N 103 120.165 120.165 120.416 -0.251 18715 7289 1 12 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.112 0.052 18715 7290 1 12 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.168 -0.804 18715 7291 1 12 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.355 -0.823 18715 7292 1 12 . 1 1 103 103 LYS H H 103 8.207 8.207 8.138 0.069 18715 7293 1 12 . 1 1 104 104 ILE N N 104 119.852 119.852 118.357 1.495 18715 7294 1 12 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.807 0.003 18715 7295 1 12 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.219 -0.611 18715 7296 1 12 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.945 -0.511 18715 7297 1 12 . 1 1 104 104 ILE H H 104 8.163 8.163 7.810 0.353 18715 7298 1 12 . 1 1 105 105 GLU N N 105 121.415 121.415 119.928 1.487 18715 7299 1 12 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.001 0.034 18715 7300 1 12 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.576 0.058 18715 7301 1 12 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.209 3.547 18715 7302 1 12 . 1 1 105 105 GLU H H 105 8.001 8.001 7.871 0.130 18715 7303 1 12 . 1 1 106 106 GLU N N 106 119.228 119.228 119.804 -0.576 18715 7304 1 12 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.113 -0.023 18715 7305 1 12 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.648 -0.381 18715 7306 1 12 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.763 -0.166 18715 7307 1 12 . 1 1 106 106 GLU H H 106 8.031 8.031 7.737 0.294 18715 7308 1 12 . 1 1 107 107 GLU N N 107 118.915 118.915 119.516 -0.601 18715 7309 1 12 . 1 1 107 107 GLU HA H 107 4.073 4.073 3.968 0.105 18715 7310 1 12 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.448 -0.107 18715 7311 1 12 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.720 0.151 18715 7312 1 12 . 1 1 107 107 GLU H H 107 8.016 8.016 7.899 0.117 18715 7313 1 12 . 1 1 108 108 GLN N N 108 118.290 118.290 118.804 -0.514 18715 7314 1 12 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.099 0.048 18715 7315 1 12 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.406 0.001 18715 7316 1 12 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.427 0.418 18715 7317 1 12 . 1 1 108 108 GLN H H 108 8.252 8.252 8.026 0.226 18715 7318 1 12 . 1 1 109 109 ASN N N 109 118.290 118.290 117.981 0.309 18715 7319 1 12 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.411 0.206 18715 7320 1 12 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.170 -1.288 18715 7321 1 12 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.538 -0.013 18715 7322 1 12 . 1 1 109 109 ASN H H 109 8.252 8.252 7.951 0.301 18715 7323 1 12 . 1 1 110 110 LYS N N 110 120.478 120.478 119.811 0.667 18715 7324 1 12 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.064 0.166 18715 7325 1 12 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.783 -1.472 18715 7326 1 12 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.490 0.201 18715 7327 1 12 . 1 1 110 110 LYS H H 110 8.031 8.031 8.079 -0.048 18715 7328 1 12 . 1 1 111 111 SER N N 111 114.540 114.540 114.275 0.265 18715 7329 1 12 . 1 1 111 111 SER HA H 111 4.368 4.368 4.292 0.076 18715 7330 1 12 . 1 1 111 111 SER CA C 111 59.764 59.764 60.855 -1.091 18715 7331 1 12 . 1 1 111 111 SER CB C 111 63.442 63.442 63.077 0.365 18715 7332 1 12 . 1 1 111 111 SER H H 111 8.031 8.031 7.697 0.334 18715 7333 1 12 . 1 1 112 112 LYS N N 112 122.040 122.040 121.300 0.740 18715 7334 1 12 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.078 0.167 18715 7335 1 12 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.249 -1.920 18715 7336 1 12 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.702 0.073 18715 7337 1 12 . 1 1 112 112 LYS H H 112 7.957 7.957 7.899 0.058 18715 7338 1 12 . 1 1 113 113 LYS N N 113 120.790 120.790 117.996 2.794 18715 7339 1 12 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.096 0.055 18715 7340 1 12 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.933 0.201 18715 7341 1 12 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.608 0.159 18715 7342 1 12 . 1 1 113 113 LYS H H 113 8.016 8.016 7.543 0.473 18715 7343 1 12 . 1 1 114 114 LYS N N 114 121.728 121.728 118.224 3.504 18715 7344 1 12 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.331 -0.068 18715 7345 1 12 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.809 1.376 18715 7346 1 12 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.102 0.755 18715 7347 1 12 . 1 1 114 114 LYS H H 114 8.119 8.119 7.297 0.822 18715 7348 1 12 . 1 1 115 115 ALA N N 115 124.228 124.228 120.298 3.930 18715 7349 1 12 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.649 -0.381 18715 7350 1 12 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.526 0.509 18715 7351 1 12 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.091 -0.053 18715 7352 1 12 . 1 1 115 115 ALA H H 115 8.178 8.178 7.787 0.391 18715 7353 1 12 . 1 1 116 116 GLN N N 116 119.228 119.228 119.039 0.189 18715 7354 1 12 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.162 0.086 18715 7355 1 12 . 1 1 116 116 GLN CA C 116 56.549 56.549 57.452 -0.902 18715 7356 1 12 . 1 1 116 116 GLN H H 116 8.237 8.237 8.114 0.123 18715 7357 1 12 . 1 1 117 117 GLN N N 117 120.478 120.478 120.278 0.200 18715 7358 1 12 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.193 0.076 18715 7359 1 12 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.062 -1.738 18715 7360 1 12 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.010 1.596 18715 7361 1 12 . 1 1 117 117 GLN H H 117 8.266 8.266 8.387 -0.121 18715 7362 1 12 . 1 1 118 118 ALA N N 118 124.852 124.852 121.651 3.201 18715 7363 1 12 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.181 0.095 18715 7364 1 12 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.681 -0.844 18715 7365 1 12 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.328 0.734 18715 7366 1 12 . 1 1 118 118 ALA H H 118 8.266 8.266 8.118 0.148 18715 7367 1 12 . 1 1 119 119 ALA N N 119 122.978 122.978 121.137 1.841 18715 7368 1 12 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.331 -0.037 18715 7369 1 12 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.411 0.226 18715 7370 1 12 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.318 1.883 18715 7371 1 12 . 1 1 119 119 ALA H H 119 8.163 8.163 8.210 -0.047 18715 7372 1 12 . 1 1 120 120 ALA N N 120 122.665 122.665 124.543 -1.878 18715 7373 1 12 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.309 -0.032 18715 7374 1 12 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.563 0.173 18715 7375 1 12 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.160 -0.993 18715 7376 1 12 . 1 1 120 120 ALA H H 120 8.163 8.163 8.181 -0.018 18715 7377 1 12 . 1 1 121 121 ASP N N 121 119.228 119.228 122.193 -2.965 18715 7378 1 12 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.816 -0.134 18715 7379 1 12 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.281 0.983 18715 7380 1 12 . 1 1 121 121 ASP CB C 121 41.128 41.128 39.787 1.341 18715 7381 1 12 . 1 1 121 121 ASP H H 121 8.252 8.252 8.125 0.127 18715 7382 1 12 . 1 1 122 122 THR N N 122 113.602 113.602 116.231 -2.629 18715 7383 1 12 . 1 1 122 122 THR HA H 122 4.358 4.358 4.596 -0.238 18715 7384 1 12 . 1 1 122 122 THR CA C 122 61.971 61.971 60.843 1.127 18715 7385 1 12 . 1 1 122 122 THR CB C 122 69.586 69.586 67.939 1.647 18715 7386 1 12 . 1 1 122 122 THR H H 122 8.075 8.075 7.774 0.301 18715 7387 1 12 . 1 1 123 123 GLY N N 123 110.478 110.478 112.177 -1.699 18715 7388 1 12 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.709 0.894 18715 7389 1 12 . 1 1 123 123 GLY H H 123 8.414 8.414 8.361 0.053 18715 7390 1 12 . 1 1 124 124 ASN N N 124 118.602 118.602 118.934 -0.332 18715 7391 1 12 . 1 1 124 124 ASN HA H 124 4.608 4.608 5.027 -0.419 18715 7392 1 12 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.371 2.362 18715 7393 1 12 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.470 -1.932 18715 7394 1 12 . 1 1 124 124 ASN H H 124 8.266 8.266 8.767 -0.501 18715 7395 1 12 . 1 1 125 125 ASN N N 125 119.228 119.228 117.371 1.857 18715 7396 1 12 . 1 1 125 125 ASN HA H 125 4.724 4.724 5.263 -0.539 18715 7397 1 12 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.382 1.071 18715 7398 1 12 . 1 1 125 125 ASN CB C 125 38.813 38.813 40.789 -1.976 18715 7399 1 12 . 1 1 125 125 ASN H H 125 8.443 8.443 8.814 -0.371 18715 7400 1 12 . 1 1 126 126 SER N N 126 115.790 115.790 115.001 0.789 18715 7401 1 12 . 1 1 126 126 SER HA H 126 4.388 4.388 4.636 -0.248 18715 7402 1 12 . 1 1 126 126 SER CA C 126 58.851 58.851 57.688 1.163 18715 7403 1 12 . 1 1 126 126 SER CB C 126 63.926 63.926 64.742 -0.816 18715 7404 1 12 . 1 1 126 126 SER H H 126 8.266 8.266 8.401 -0.135 18715 7405 1 12 . 1 1 127 127 GLN N N 127 121.728 121.728 119.916 1.812 18715 7406 1 12 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.378 -0.055 18715 7407 1 12 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.277 0.946 18715 7408 1 12 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.314 -0.146 18715 7409 1 12 . 1 1 127 127 GLN H H 127 8.355 8.355 8.339 0.016 18715 7410 1 12 . 1 1 128 128 VAL N N 128 119.852 119.852 120.454 -0.602 18715 7411 1 12 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.071 0.038 18715 7412 1 12 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.490 0.175 18715 7413 1 12 . 1 1 128 128 VAL CB C 128 32.769 32.769 31.273 1.496 18715 7414 1 12 . 1 1 128 128 VAL H H 128 7.986 7.986 8.271 -0.285 18715 7415 1 12 . 1 1 129 129 SER N N 129 117.978 117.978 124.239 -6.261 18715 7416 1 12 . 1 1 129 129 SER HA H 129 4.136 4.136 4.681 -0.545 18715 7417 1 12 . 1 1 129 129 SER CA C 129 58.404 58.404 58.003 0.401 18715 7418 1 12 . 1 1 129 129 SER CB C 129 63.755 63.755 63.053 0.702 18715 7419 1 12 . 1 1 129 129 SER H H 129 8.252 8.252 8.591 -0.339 18715 7420 1 12 . 1 1 130 130 GLN N N 130 121.728 121.728 123.180 -1.452 18715 7421 1 12 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.422 -0.067 18715 7422 1 12 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.037 1.113 18715 7423 1 12 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.727 -0.354 18715 7424 1 12 . 1 1 130 130 GLN H H 130 8.355 8.355 8.370 -0.015 18715 7425 1 12 . 1 1 131 131 ASN N N 131 118.290 118.290 118.293 -0.003 18715 7426 1 12 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.807 -0.175 18715 7427 1 12 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.552 0.016 18715 7428 1 12 . 1 1 131 131 ASN H H 131 8.252 8.252 8.447 -0.195 18715 7429 1 13 . 1 1 3 3 ALA N N 3 123.842 123.842 125.174 -1.332 18715 7430 1 13 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.493 -0.165 18715 7431 1 13 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.068 0.469 18715 7432 1 13 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.519 -2.268 18715 7433 1 13 . 1 1 3 3 ALA H H 3 8.183 8.183 8.377 -0.194 18715 7434 1 13 . 1 1 4 4 ARG N N 4 120.165 120.165 119.769 0.396 18715 7435 1 13 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.552 -0.296 18715 7436 1 13 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.704 0.261 18715 7437 1 13 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.629 -0.668 18715 7438 1 13 . 1 1 4 4 ARG H H 4 8.429 8.429 7.941 0.488 18715 7439 1 13 . 1 1 5 5 ALA N N 5 125.165 125.165 126.158 -0.993 18715 7440 1 13 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.627 -0.345 18715 7441 1 13 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.797 0.574 18715 7442 1 13 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.279 0.393 18715 7443 1 13 . 1 1 5 5 ALA H H 5 8.370 8.370 8.487 -0.117 18715 7444 1 13 . 1 1 6 6 SER N N 6 114.540 114.540 115.939 -1.399 18715 7445 1 13 . 1 1 6 6 SER HA H 6 4.479 4.479 4.628 -0.149 18715 7446 1 13 . 1 1 6 6 SER CA C 6 57.804 57.804 57.644 0.160 18715 7447 1 13 . 1 1 6 6 SER CB C 6 64.034 64.034 63.183 0.851 18715 7448 1 13 . 1 1 6 6 SER H H 6 8.134 8.134 8.132 0.002 18715 7449 1 13 . 1 1 7 7 VAL N N 7 121.415 121.415 121.393 0.022 18715 7450 1 13 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.882 -0.265 18715 7451 1 13 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.078 2.633 18715 7452 1 13 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.161 -0.225 18715 7453 1 13 . 1 1 7 7 VAL H H 7 8.119 8.119 8.105 0.014 18715 7454 1 13 . 1 1 8 8 LEU N N 8 115.478 115.478 116.886 -1.408 18715 7455 1 13 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.768 0.164 18715 7456 1 13 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.191 -0.684 18715 7457 1 13 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.833 0.470 18715 7458 1 13 . 1 1 8 8 LEU H H 8 7.382 7.382 7.534 -0.152 18715 7459 1 13 . 1 1 9 9 SER N N 9 118.290 118.290 119.824 -1.534 18715 7460 1 13 . 1 1 9 9 SER HA H 9 4.606 4.606 4.556 0.050 18715 7461 1 13 . 1 1 9 9 SER CA C 9 57.197 57.197 57.433 -0.236 18715 7462 1 13 . 1 1 9 9 SER CB C 9 65.426 65.426 65.082 0.344 18715 7463 1 13 . 1 1 9 9 SER H H 9 9.166 9.166 8.943 0.223 18715 7464 1 13 . 1 1 10 10 GLY N N 10 109.228 109.228 108.383 0.845 18715 7465 1 13 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.048 0.626 18715 7466 1 13 . 1 1 10 10 GLY H H 10 8.959 8.959 8.695 0.264 18715 7467 1 13 . 1 1 11 11 GLY N N 11 111.102 111.102 109.900 1.202 18715 7468 1 13 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.440 0.221 18715 7469 1 13 . 1 1 11 11 GLY H H 11 8.782 8.782 7.895 0.887 18715 7470 1 13 . 1 1 12 12 GLU N N 12 120.165 120.165 122.119 -1.954 18715 7471 1 13 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.032 -0.082 18715 7472 1 13 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.620 0.476 18715 7473 1 13 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.462 1.828 18715 7474 1 13 . 1 1 12 12 GLU H H 12 7.751 7.751 7.600 0.151 18715 7475 1 13 . 1 1 13 13 LEU N N 13 121.415 121.415 121.787 -0.372 18715 7476 1 13 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.068 0.040 18715 7477 1 13 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.371 -0.309 18715 7478 1 13 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.855 -0.919 18715 7479 1 13 . 1 1 13 13 LEU H H 13 8.340 8.340 8.354 -0.014 18715 7480 1 13 . 1 1 14 14 ASP N N 14 116.415 116.415 119.281 -2.866 18715 7481 1 13 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.353 0.040 18715 7482 1 13 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.873 -0.737 18715 7483 1 13 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.725 0.361 18715 7484 1 13 . 1 1 14 14 ASP H H 14 7.574 7.574 7.857 -0.283 18715 7485 1 13 . 1 1 15 15 LYS N N 15 115.478 115.478 120.012 -4.534 18715 7486 1 13 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.089 -0.043 18715 7487 1 13 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.503 -1.101 18715 7488 1 13 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.456 -0.097 18715 7489 1 13 . 1 1 15 15 LYS H H 15 7.117 7.117 7.643 -0.526 18715 7490 1 13 . 1 1 16 16 TRP N N 16 121.693 121.693 121.654 0.039 18715 7491 1 13 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.153 -0.128 18715 7492 1 13 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.505 -0.219 18715 7493 1 13 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.639 1.474 18715 7494 1 13 . 1 1 16 16 TRP H H 16 8.646 8.646 8.288 0.358 18715 7495 1 13 . 1 1 17 17 GLU N N 17 127.710 127.710 116.483 11.227 18715 7496 1 13 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.338 0.353 18715 7497 1 13 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.650 -1.881 18715 7498 1 13 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.476 0.269 18715 7499 1 13 . 1 1 17 17 GLU H H 17 7.571 7.571 8.309 -0.738 18715 7500 1 13 . 1 1 18 18 LYS N N 18 115.790 115.790 119.150 -3.360 18715 7501 1 13 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.221 0.276 18715 7502 1 13 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.660 -2.091 18715 7503 1 13 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.195 0.744 18715 7504 1 13 . 1 1 18 18 LYS H H 18 7.456 7.456 7.302 0.154 18715 7505 1 13 . 1 1 19 19 ILE N N 19 124.228 124.228 119.892 4.336 18715 7506 1 13 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.994 -0.437 18715 7507 1 13 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.767 -0.647 18715 7508 1 13 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.679 0.503 18715 7509 1 13 . 1 1 19 19 ILE H H 19 7.633 7.633 8.175 -0.542 18715 7510 1 13 . 1 1 20 20 ARG N N 20 125.790 125.790 123.869 1.921 18715 7511 1 13 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.461 -0.033 18715 7512 1 13 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.052 1.443 18715 7513 1 13 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.744 -0.207 18715 7514 1 13 . 1 1 20 20 ARG H H 20 8.031 8.031 8.375 -0.344 18715 7515 1 13 . 1 1 21 21 LEU N N 21 120.165 120.165 120.243 -0.078 18715 7516 1 13 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.896 -0.450 18715 7517 1 13 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.868 1.367 18715 7518 1 13 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.039 -0.504 18715 7519 1 13 . 1 1 21 21 LEU H H 21 7.810 7.810 8.172 -0.362 18715 7520 1 13 . 1 1 22 22 ARG N N 22 119.540 119.540 115.342 4.198 18715 7521 1 13 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.642 0.203 18715 7522 1 13 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.552 -0.708 18715 7523 1 13 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.678 -1.060 18715 7524 1 13 . 1 1 22 22 ARG H H 22 8.974 8.974 7.584 1.390 18715 7525 1 13 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.347 0.013 18715 7526 1 13 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.677 -1.241 18715 7527 1 13 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.096 -0.531 18715 7528 1 13 . 1 1 24 24 GLY N N 24 112.665 112.665 106.725 5.940 18715 7529 1 13 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.312 1.493 18715 7530 1 13 . 1 1 24 24 GLY H H 24 9.138 9.138 7.890 1.248 18715 7531 1 13 . 1 1 25 25 GLY N N 25 107.978 107.978 107.756 0.222 18715 7532 1 13 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.492 0.080 18715 7533 1 13 . 1 1 25 25 GLY H H 25 8.134 8.134 7.458 0.676 18715 7534 1 13 . 1 1 26 26 LYS N N 26 117.665 117.665 119.753 -2.088 18715 7535 1 13 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.528 -0.264 18715 7536 1 13 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.962 0.891 18715 7537 1 13 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.593 1.463 18715 7538 1 13 . 1 1 26 26 LYS H H 26 8.665 8.665 8.407 0.258 18715 7539 1 13 . 1 1 27 27 LYS N N 27 117.925 117.925 119.797 -1.872 18715 7540 1 13 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.594 -0.283 18715 7541 1 13 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.504 1.707 18715 7542 1 13 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.091 -1.213 18715 7543 1 13 . 1 1 27 27 LYS H H 27 7.817 7.817 7.647 0.170 18715 7544 1 13 . 1 1 28 28 GLN N N 28 122.978 122.978 119.192 3.786 18715 7545 1 13 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.353 0.463 18715 7546 1 13 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.953 -0.480 18715 7547 1 13 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.161 3.893 18715 7548 1 13 . 1 1 28 28 GLN H H 28 8.458 8.458 8.338 0.120 18715 7549 1 13 . 1 1 29 29 TYR N N 29 119.540 119.540 119.541 -0.001 18715 7550 1 13 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.476 -0.744 18715 7551 1 13 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.822 2.188 18715 7552 1 13 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.402 -2.186 18715 7553 1 13 . 1 1 29 29 TYR H H 29 7.824 7.824 8.480 -0.656 18715 7554 1 13 . 1 1 30 30 LYS N N 30 117.978 117.978 120.943 -2.965 18715 7555 1 13 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.949 0.267 18715 7556 1 13 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.098 -1.033 18715 7557 1 13 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.214 2.374 18715 7558 1 13 . 1 1 30 30 LYS H H 30 10.610 10.610 9.190 1.420 18715 7559 1 13 . 1 1 31 31 LEU N N 31 128.602 128.602 124.541 4.061 18715 7560 1 13 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.061 0.120 18715 7561 1 13 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.379 0.855 18715 7562 1 13 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.637 -0.635 18715 7563 1 13 . 1 1 31 31 LEU H H 31 9.991 9.991 8.816 1.175 18715 7564 1 13 . 1 1 32 32 LYS N N 32 115.165 115.165 119.473 -4.308 18715 7565 1 13 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.975 0.170 18715 7566 1 13 . 1 1 32 32 LYS CA C 32 59.097 59.097 58.949 0.148 18715 7567 1 13 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.672 -0.112 18715 7568 1 13 . 1 1 32 32 LYS H H 32 8.399 8.399 8.628 -0.229 18715 7569 1 13 . 1 1 33 33 HIS N N 33 119.540 119.540 117.018 2.522 18715 7570 1 13 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.724 -0.120 18715 7571 1 13 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.322 3.569 18715 7572 1 13 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.652 2.132 18715 7573 1 13 . 1 1 33 33 HIS H H 33 8.193 8.193 7.886 0.307 18715 7574 1 13 . 1 1 34 34 ILE N N 34 119.540 119.540 120.312 -0.772 18715 7575 1 13 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.706 0.088 18715 7576 1 13 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.200 -1.351 18715 7577 1 13 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.637 -0.658 18715 7578 1 13 . 1 1 34 34 ILE H H 34 7.898 7.898 7.456 0.442 18715 7579 1 13 . 1 1 35 35 VAL N N 35 122.040 122.040 119.702 2.338 18715 7580 1 13 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.719 -0.107 18715 7581 1 13 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.610 0.136 18715 7582 1 13 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.928 0.214 18715 7583 1 13 . 1 1 35 35 VAL H H 35 7.706 7.706 8.594 -0.888 18715 7584 1 13 . 1 1 36 36 TRP N N 36 119.986 119.986 121.505 -1.519 18715 7585 1 13 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.189 0.044 18715 7586 1 13 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.618 0.492 18715 7587 1 13 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.441 -1.029 18715 7588 1 13 . 1 1 36 36 TRP H H 36 8.452 8.452 7.743 0.709 18715 7589 1 13 . 1 1 37 37 ALA N N 37 120.478 120.478 119.104 1.374 18715 7590 1 13 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.736 -0.346 18715 7591 1 13 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.638 0.475 18715 7592 1 13 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.474 -1.044 18715 7593 1 13 . 1 1 37 37 ALA H H 37 8.311 8.311 8.150 0.161 18715 7594 1 13 . 1 1 38 38 SER N N 38 111.415 111.415 115.246 -3.831 18715 7595 1 13 . 1 1 38 38 SER HA H 38 3.906 3.906 4.094 -0.188 18715 7596 1 13 . 1 1 38 38 SER CA C 38 62.801 62.801 61.514 1.287 18715 7597 1 13 . 1 1 38 38 SER CB C 38 62.829 62.829 63.073 -0.244 18715 7598 1 13 . 1 1 38 38 SER H H 38 8.259 8.259 7.822 0.437 18715 7599 1 13 . 1 1 39 39 ARG N N 39 119.852 119.852 119.961 -0.109 18715 7600 1 13 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.077 0.069 18715 7601 1 13 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.151 0.259 18715 7602 1 13 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.976 0.032 18715 7603 1 13 . 1 1 39 39 ARG H H 39 7.559 7.559 7.716 -0.157 18715 7604 1 13 . 1 1 40 40 GLU N N 40 121.102 121.102 119.235 1.867 18715 7605 1 13 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.883 -0.096 18715 7606 1 13 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.800 0.481 18715 7607 1 13 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.293 0.381 18715 7608 1 13 . 1 1 40 40 GLU H H 40 8.222 8.222 7.325 0.897 18715 7609 1 13 . 1 1 41 41 LEU N N 41 117.040 117.040 120.847 -3.807 18715 7610 1 13 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.153 -0.200 18715 7611 1 13 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.682 0.641 18715 7612 1 13 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.179 -1.999 18715 7613 1 13 . 1 1 41 41 LEU H H 41 8.016 8.016 7.620 0.396 18715 7614 1 13 . 1 1 42 42 GLU N N 42 117.352 117.352 118.542 -1.190 18715 7615 1 13 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.003 0.124 18715 7616 1 13 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.066 0.505 18715 7617 1 13 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.283 0.382 18715 7618 1 13 . 1 1 42 42 GLU H H 42 7.559 7.559 7.655 -0.096 18715 7619 1 13 . 1 1 43 43 ARG N N 43 119.540 119.540 118.366 1.174 18715 7620 1 13 . 1 1 43 43 ARG HA H 43 4.042 4.042 3.995 0.047 18715 7621 1 13 . 1 1 43 43 ARG CA C 43 58.490 58.490 57.769 0.722 18715 7622 1 13 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.890 -0.224 18715 7623 1 13 . 1 1 43 43 ARG H H 43 7.647 7.647 7.440 0.207 18715 7624 1 13 . 1 1 44 44 PHE N N 44 117.665 117.665 118.160 -0.495 18715 7625 1 13 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.638 -0.024 18715 7626 1 13 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.449 0.909 18715 7627 1 13 . 1 1 44 44 PHE CB C 44 39.166 39.166 37.833 1.333 18715 7628 1 13 . 1 1 44 44 PHE H H 44 7.529 7.529 7.571 -0.042 18715 7629 1 13 . 1 1 45 45 ALA N N 45 118.915 118.915 119.988 -1.073 18715 7630 1 13 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.932 0.083 18715 7631 1 13 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.392 0.022 18715 7632 1 13 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.065 -0.786 18715 7633 1 13 . 1 1 45 45 ALA H H 45 7.928 7.928 7.722 0.206 18715 7634 1 13 . 1 1 46 46 VAL N N 46 119.540 119.540 118.871 0.669 18715 7635 1 13 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.137 -0.042 18715 7636 1 13 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.113 -0.292 18715 7637 1 13 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.805 0.561 18715 7638 1 13 . 1 1 46 46 VAL H H 46 7.765 7.765 7.668 0.097 18715 7639 1 13 . 1 1 47 47 ASN N N 47 125.790 125.790 127.809 -2.019 18715 7640 1 13 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.728 -0.082 18715 7641 1 13 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.948 -1.951 18715 7642 1 13 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.335 0.751 18715 7643 1 13 . 1 1 47 47 ASN H H 47 8.399 8.399 8.910 -0.511 18715 7644 1 13 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.362 -0.140 18715 7645 1 13 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.230 0.084 18715 7646 1 13 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.829 -0.090 18715 7647 1 13 . 1 1 49 49 GLY N N 49 108.290 108.290 107.680 0.610 18715 7648 1 13 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.121 0.409 18715 7649 1 13 . 1 1 49 49 GLY H H 49 8.620 8.620 8.554 0.066 18715 7650 1 13 . 1 1 50 50 LEU N N 50 121.728 121.728 121.426 0.302 18715 7651 1 13 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.146 0.000 18715 7652 1 13 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.066 1.175 18715 7653 1 13 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.810 -0.247 18715 7654 1 13 . 1 1 50 50 LEU H H 50 7.765 7.765 7.501 0.264 18715 7655 1 13 . 1 1 51 51 LEU N N 51 112.040 112.040 117.874 -5.834 18715 7656 1 13 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.151 0.087 18715 7657 1 13 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.971 -0.464 18715 7658 1 13 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.965 0.525 18715 7659 1 13 . 1 1 51 51 LEU H H 51 7.412 7.412 7.669 -0.257 18715 7660 1 13 . 1 1 52 52 GLU N N 52 114.540 114.540 113.746 0.794 18715 7661 1 13 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.379 -0.324 18715 7662 1 13 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.153 3.231 18715 7663 1 13 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.403 1.655 18715 7664 1 13 . 1 1 52 52 GLU H H 52 7.500 7.500 7.621 -0.121 18715 7665 1 13 . 1 1 53 53 THR N N 53 122.978 122.978 110.726 12.252 18715 7666 1 13 . 1 1 53 53 THR HA H 53 4.402 4.402 4.571 -0.169 18715 7667 1 13 . 1 1 53 53 THR CA C 53 58.306 58.306 60.160 -1.854 18715 7668 1 13 . 1 1 53 53 THR CB C 53 73.222 73.222 71.580 1.642 18715 7669 1 13 . 1 1 53 53 THR H H 53 7.235 7.235 7.589 -0.354 18715 7670 1 13 . 1 1 54 54 SER N N 54 119.228 119.228 121.821 -2.593 18715 7671 1 13 . 1 1 54 54 SER HA H 54 4.043 4.043 4.295 -0.252 18715 7672 1 13 . 1 1 54 54 SER CA C 54 62.657 62.657 61.585 1.072 18715 7673 1 13 . 1 1 54 54 SER CB C 54 62.562 62.562 62.881 -0.319 18715 7674 1 13 . 1 1 54 54 SER H H 54 9.313 9.313 8.905 0.408 18715 7675 1 13 . 1 1 55 55 GLU N N 55 121.233 121.233 120.696 0.537 18715 7676 1 13 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.314 -0.245 18715 7677 1 13 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.472 1.203 18715 7678 1 13 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.626 -0.627 18715 7679 1 13 . 1 1 55 55 GLU H H 55 8.975 8.975 8.566 0.409 18715 7680 1 13 . 1 1 56 56 GLY N N 56 110.790 110.790 108.753 2.037 18715 7681 1 13 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.362 0.504 18715 7682 1 13 . 1 1 56 56 GLY H H 56 8.517 8.517 8.273 0.244 18715 7683 1 13 . 1 1 57 57 CYS N N 57 118.602 118.602 119.370 -0.768 18715 7684 1 13 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.150 -0.130 18715 7685 1 13 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.180 1.422 18715 7686 1 13 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.537 20.259 18715 7687 1 13 . 1 1 57 57 CYS H H 57 8.122 8.122 8.372 -0.250 18715 7688 1 13 . 1 1 58 58 ARG N N 58 119.540 119.540 119.193 0.347 18715 7689 1 13 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.502 0.048 18715 7690 1 13 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.048 0.659 18715 7691 1 13 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.971 -0.522 18715 7692 1 13 . 1 1 58 58 ARG H H 58 8.488 8.488 7.568 0.920 18715 7693 1 13 . 1 1 59 59 GLN N N 59 119.852 119.852 119.020 0.832 18715 7694 1 13 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.024 0.028 18715 7695 1 13 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.823 0.577 18715 7696 1 13 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.749 -0.515 18715 7697 1 13 . 1 1 59 59 GLN H H 59 8.016 8.016 7.549 0.467 18715 7698 1 13 . 1 1 60 60 ILE N N 60 120.790 120.790 119.876 0.914 18715 7699 1 13 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.699 -0.088 18715 7700 1 13 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.153 0.438 18715 7701 1 13 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.844 0.006 18715 7702 1 13 . 1 1 60 60 ILE H H 60 8.163 8.163 8.351 -0.188 18715 7703 1 13 . 1 1 61 61 LEU N N 61 118.915 118.915 118.183 0.732 18715 7704 1 13 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.254 -0.359 18715 7705 1 13 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.282 1.373 18715 7706 1 13 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.130 -0.354 18715 7707 1 13 . 1 1 61 61 LEU H H 61 8.370 8.370 7.442 0.928 18715 7708 1 13 . 1 1 62 62 GLY N N 62 104.332 104.332 106.697 -2.365 18715 7709 1 13 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.730 0.454 18715 7710 1 13 . 1 1 62 62 GLY H H 62 7.883 7.883 7.659 0.224 18715 7711 1 13 . 1 1 63 63 GLN N N 63 119.852 119.852 118.871 0.981 18715 7712 1 13 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.275 -0.123 18715 7713 1 13 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.490 0.504 18715 7714 1 13 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.207 -0.008 18715 7715 1 13 . 1 1 63 63 GLN H H 63 7.795 7.795 7.577 0.218 18715 7716 1 13 . 1 1 64 64 LEU N N 64 117.040 117.040 119.713 -2.673 18715 7717 1 13 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.045 0.236 18715 7718 1 13 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.762 -0.661 18715 7719 1 13 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.038 2.205 18715 7720 1 13 . 1 1 64 64 LEU H H 64 8.252 8.252 7.477 0.775 18715 7721 1 13 . 1 1 65 65 GLN N N 65 118.915 118.915 119.795 -0.880 18715 7722 1 13 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.824 -0.045 18715 7723 1 13 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.991 0.556 18715 7724 1 13 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.778 -0.914 18715 7725 1 13 . 1 1 65 65 GLN H H 65 8.104 8.104 8.276 -0.172 18715 7726 1 13 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.342 0.041 18715 7727 1 13 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.987 0.930 18715 7728 1 13 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.225 -0.126 18715 7729 1 13 . 1 1 67 67 SER N N 67 111.415 111.415 113.792 -2.377 18715 7730 1 13 . 1 1 67 67 SER HA H 67 4.493 4.493 4.375 0.118 18715 7731 1 13 . 1 1 67 67 SER CA C 67 59.696 59.696 60.491 -0.795 18715 7732 1 13 . 1 1 67 67 SER CB C 67 64.031 64.031 63.154 0.877 18715 7733 1 13 . 1 1 67 67 SER H H 67 7.824 7.824 7.612 0.212 18715 7734 1 13 . 1 1 68 68 LEU N N 68 121.102 121.102 122.131 -1.029 18715 7735 1 13 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.773 0.043 18715 7736 1 13 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.186 -0.238 18715 7737 1 13 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.364 0.405 18715 7738 1 13 . 1 1 68 68 LEU H H 68 7.647 7.647 7.979 -0.332 18715 7739 1 13 . 1 1 69 69 GLN N N 69 116.415 116.415 119.099 -2.684 18715 7740 1 13 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.046 0.023 18715 7741 1 13 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.377 0.093 18715 7742 1 13 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.814 -0.386 18715 7743 1 13 . 1 1 69 69 GLN H H 69 8.060 8.060 8.367 -0.307 18715 7744 1 13 . 1 1 70 70 THR N N 70 106.728 106.728 112.940 -6.212 18715 7745 1 13 . 1 1 70 70 THR HA H 70 4.481 4.481 4.576 -0.095 18715 7746 1 13 . 1 1 70 70 THR CA C 70 61.291 61.291 61.215 0.076 18715 7747 1 13 . 1 1 70 70 THR CB C 70 69.415 69.415 68.973 0.442 18715 7748 1 13 . 1 1 70 70 THR H H 70 7.515 7.515 7.611 -0.096 18715 7749 1 13 . 1 1 71 71 GLY N N 71 109.540 109.540 109.655 -0.115 18715 7750 1 13 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.992 1.561 18715 7751 1 13 . 1 1 71 71 GLY H H 71 7.692 7.692 7.486 0.206 18715 7752 1 13 . 1 1 72 72 SER N N 72 114.540 114.540 115.361 -0.821 18715 7753 1 13 . 1 1 72 72 SER HA H 72 4.625 4.625 4.735 -0.110 18715 7754 1 13 . 1 1 72 72 SER CA C 72 57.319 57.319 56.831 0.488 18715 7755 1 13 . 1 1 72 72 SER CB C 72 64.599 64.599 65.260 -0.661 18715 7756 1 13 . 1 1 72 72 SER H H 72 8.045 8.045 7.922 0.123 18715 7757 1 13 . 1 1 73 73 GLU N N 73 124.228 124.228 120.991 3.237 18715 7758 1 13 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.025 0.062 18715 7759 1 13 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.157 -0.777 18715 7760 1 13 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.578 -0.276 18715 7761 1 13 . 1 1 73 73 GLU H H 73 9.092 9.092 8.945 0.147 18715 7762 1 13 . 1 1 74 74 GLU N N 74 120.165 120.165 119.392 0.773 18715 7763 1 13 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.392 -0.103 18715 7764 1 13 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.377 0.851 18715 7765 1 13 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.535 -0.073 18715 7766 1 13 . 1 1 74 74 GLU H H 74 8.665 8.665 7.825 0.840 18715 7767 1 13 . 1 1 75 75 LEU N N 75 121.415 121.415 121.389 0.026 18715 7768 1 13 . 1 1 75 75 LEU HA H 75 4.161 4.161 3.980 0.181 18715 7769 1 13 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.664 -0.711 18715 7770 1 13 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.009 -0.741 18715 7771 1 13 . 1 1 75 75 LEU H H 75 7.765 7.765 7.661 0.104 18715 7772 1 13 . 1 1 76 76 ARG N N 76 119.228 119.228 118.923 0.305 18715 7773 1 13 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.901 0.032 18715 7774 1 13 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.102 -0.420 18715 7775 1 13 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.220 -1.023 18715 7776 1 13 . 1 1 76 76 ARG H H 76 7.868 7.868 8.421 -0.553 18715 7777 1 13 . 1 1 77 77 SER N N 77 114.228 114.228 115.699 -1.471 18715 7778 1 13 . 1 1 77 77 SER HA H 77 4.263 4.263 4.175 0.088 18715 7779 1 13 . 1 1 77 77 SER CA C 77 62.668 62.668 62.746 -0.078 18715 7780 1 13 . 1 1 77 77 SER CB C 77 62.849 62.849 63.026 -0.177 18715 7781 1 13 . 1 1 77 77 SER H H 77 8.576 8.576 8.376 0.200 18715 7782 1 13 . 1 1 78 78 LEU N N 78 125.790 125.790 123.222 2.568 18715 7783 1 13 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.315 0.106 18715 7784 1 13 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.008 0.954 18715 7785 1 13 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.402 0.641 18715 7786 1 13 . 1 1 78 78 LEU H H 78 8.458 8.458 7.941 0.517 18715 7787 1 13 . 1 1 79 79 TYR N N 79 119.852 119.852 119.374 0.478 18715 7788 1 13 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.109 -0.448 18715 7789 1 13 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.756 1.046 18715 7790 1 13 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.406 0.789 18715 7791 1 13 . 1 1 79 79 TYR H H 79 8.694 8.694 8.586 0.108 18715 7792 1 13 . 1 1 80 80 ASN N N 80 117.040 117.040 116.659 0.381 18715 7793 1 13 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.526 -0.242 18715 7794 1 13 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.434 -0.647 18715 7795 1 13 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.568 -0.729 18715 7796 1 13 . 1 1 80 80 ASN H H 80 8.871 8.871 8.456 0.415 18715 7797 1 13 . 1 1 81 81 THR N N 81 115.790 115.790 117.567 -1.777 18715 7798 1 13 . 1 1 81 81 THR HA H 81 3.945 3.945 4.384 -0.439 18715 7799 1 13 . 1 1 81 81 THR CA C 81 67.855 67.855 66.516 1.339 18715 7800 1 13 . 1 1 81 81 THR CB C 81 69.140 69.140 69.468 -0.328 18715 7801 1 13 . 1 1 81 81 THR H H 81 8.119 8.119 7.666 0.453 18715 7802 1 13 . 1 1 82 82 ILE N N 82 121.102 121.102 121.907 -0.805 18715 7803 1 13 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.777 -0.109 18715 7804 1 13 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.421 -0.901 18715 7805 1 13 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.381 -0.895 18715 7806 1 13 . 1 1 82 82 ILE H H 82 8.090 8.090 8.828 -0.738 18715 7807 1 13 . 1 1 83 83 ALA N N 83 125.165 125.165 122.323 2.842 18715 7808 1 13 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.935 -0.044 18715 7809 1 13 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.273 0.582 18715 7810 1 13 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.866 -0.018 18715 7811 1 13 . 1 1 83 83 ALA H H 83 8.782 8.782 7.569 1.213 18715 7812 1 13 . 1 1 84 84 VAL N N 84 117.665 117.665 119.488 -1.823 18715 7813 1 13 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.694 -0.366 18715 7814 1 13 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.164 1.301 18715 7815 1 13 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.349 -0.654 18715 7816 1 13 . 1 1 84 84 VAL H H 84 7.795 7.795 7.410 0.385 18715 7817 1 13 . 1 1 85 85 LEU N N 85 122.040 122.040 120.968 1.072 18715 7818 1 13 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.938 -0.123 18715 7819 1 13 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.211 0.099 18715 7820 1 13 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.592 0.556 18715 7821 1 13 . 1 1 85 85 LEU H H 85 8.163 8.163 8.448 -0.285 18715 7822 1 13 . 1 1 86 86 TYR N N 86 118.915 118.915 120.077 -1.162 18715 7823 1 13 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.042 -0.130 18715 7824 1 13 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.148 1.670 18715 7825 1 13 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.889 0.398 18715 7826 1 13 . 1 1 86 86 TYR H H 86 9.062 9.062 8.010 1.052 18715 7827 1 13 . 1 1 87 87 CYS N N 87 116.102 116.102 117.080 -0.978 18715 7828 1 13 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.635 0.159 18715 7829 1 13 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.449 1.517 18715 7830 1 13 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.261 19.296 18715 7831 1 13 . 1 1 87 87 CYS H H 87 7.515 7.515 7.701 -0.186 18715 7832 1 13 . 1 1 88 88 VAL N N 88 119.978 119.978 118.728 1.250 18715 7833 1 13 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.815 0.063 18715 7834 1 13 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.258 0.188 18715 7835 1 13 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.724 -0.228 18715 7836 1 13 . 1 1 88 88 VAL H H 88 8.448 8.448 7.440 1.008 18715 7837 1 13 . 1 1 89 89 HIS N N 89 118.915 118.915 116.138 2.777 18715 7838 1 13 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.604 0.271 18715 7839 1 13 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.059 1.061 18715 7840 1 13 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.351 -0.268 18715 7841 1 13 . 1 1 89 89 HIS H H 89 8.797 8.797 7.334 1.463 18715 7842 1 13 . 1 1 90 90 GLN N N 90 116.728 116.728 117.839 -1.111 18715 7843 1 13 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.241 0.144 18715 7844 1 13 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.507 0.782 18715 7845 1 13 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.509 2.443 18715 7846 1 13 . 1 1 90 90 GLN H H 90 7.986 7.986 7.355 0.631 18715 7847 1 13 . 1 1 91 91 ARG N N 91 115.165 115.165 117.683 -2.518 18715 7848 1 13 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.919 0.094 18715 7849 1 13 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.887 0.296 18715 7850 1 13 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.596 -1.547 18715 7851 1 13 . 1 1 91 91 ARG H H 91 7.883 7.883 7.774 0.109 18715 7852 1 13 . 1 1 92 92 ILE N N 92 120.087 120.087 120.101 -0.014 18715 7853 1 13 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.197 -0.212 18715 7854 1 13 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.495 0.161 18715 7855 1 13 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.618 -0.688 18715 7856 1 13 . 1 1 92 92 ILE H H 92 8.335 8.335 8.099 0.236 18715 7857 1 13 . 1 1 93 93 ASP N N 93 129.228 129.228 127.043 2.185 18715 7858 1 13 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.929 -0.444 18715 7859 1 13 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.839 2.204 18715 7860 1 13 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.972 -1.576 18715 7861 1 13 . 1 1 93 93 ASP H H 93 8.620 8.620 8.496 0.124 18715 7862 1 13 . 1 1 94 94 VAL N N 94 115.790 115.790 118.291 -2.501 18715 7863 1 13 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.751 -0.118 18715 7864 1 13 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.172 -0.052 18715 7865 1 13 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.901 0.611 18715 7866 1 13 . 1 1 94 94 VAL H H 94 7.751 7.751 8.185 -0.434 18715 7867 1 13 . 1 1 95 95 LYS N N 95 118.915 118.915 118.001 0.914 18715 7868 1 13 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.538 -0.145 18715 7869 1 13 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.991 -0.320 18715 7870 1 13 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.296 -0.288 18715 7871 1 13 . 1 1 95 95 LYS H H 95 9.239 9.239 8.793 0.446 18715 7872 1 13 . 1 1 96 96 ASP N N 96 112.040 112.040 115.079 -3.039 18715 7873 1 13 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.402 0.160 18715 7874 1 13 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.870 -0.041 18715 7875 1 13 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.132 1.472 18715 7876 1 13 . 1 1 96 96 ASP H H 96 7.412 7.412 7.498 -0.086 18715 7877 1 13 . 1 1 97 97 THR N N 97 109.540 109.540 114.003 -4.463 18715 7878 1 13 . 1 1 97 97 THR HA H 97 3.661 3.661 4.095 -0.434 18715 7879 1 13 . 1 1 97 97 THR CA C 97 65.947 65.947 65.538 0.409 18715 7880 1 13 . 1 1 97 97 THR CB C 97 70.285 70.285 68.790 1.495 18715 7881 1 13 . 1 1 97 97 THR H H 97 7.250 7.250 8.246 -0.996 18715 7882 1 13 . 1 1 98 98 LYS N N 98 121.102 121.102 122.117 -1.015 18715 7883 1 13 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.942 0.003 18715 7884 1 13 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.031 -0.403 18715 7885 1 13 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.117 -0.190 18715 7886 1 13 . 1 1 98 98 LYS H H 98 7.868 7.868 7.878 -0.010 18715 7887 1 13 . 1 1 99 99 GLU N N 99 119.228 119.228 118.453 0.775 18715 7888 1 13 . 1 1 99 99 GLU HA H 99 4.077 4.077 3.999 0.078 18715 7889 1 13 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.387 0.408 18715 7890 1 13 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.498 0.748 18715 7891 1 13 . 1 1 99 99 GLU H H 99 8.384 8.384 8.720 -0.336 18715 7892 1 13 . 1 1 100 100 ALA N N 100 118.915 118.915 122.097 -3.182 18715 7893 1 13 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.116 0.270 18715 7894 1 13 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.805 0.591 18715 7895 1 13 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.518 1.241 18715 7896 1 13 . 1 1 100 100 ALA H H 100 7.382 7.382 7.461 -0.079 18715 7897 1 13 . 1 1 101 101 LEU N N 101 117.978 117.978 119.736 -1.758 18715 7898 1 13 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.032 -0.012 18715 7899 1 13 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.882 0.093 18715 7900 1 13 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.906 0.587 18715 7901 1 13 . 1 1 101 101 LEU H H 101 8.119 8.119 8.203 -0.084 18715 7902 1 13 . 1 1 102 102 ASP N N 102 120.478 120.478 119.654 0.824 18715 7903 1 13 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.301 0.066 18715 7904 1 13 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.529 -0.177 18715 7905 1 13 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.539 -0.818 18715 7906 1 13 . 1 1 102 102 ASP H H 102 8.679 8.679 8.497 0.182 18715 7907 1 13 . 1 1 103 103 LYS N N 103 120.165 120.165 118.645 1.520 18715 7908 1 13 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.116 0.048 18715 7909 1 13 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.277 -0.913 18715 7910 1 13 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.413 -0.880 18715 7911 1 13 . 1 1 103 103 LYS H H 103 8.207 8.207 7.551 0.656 18715 7912 1 13 . 1 1 104 104 ILE N N 104 119.852 119.852 119.441 0.411 18715 7913 1 13 . 1 1 104 104 ILE HA H 104 3.810 3.810 4.229 -0.419 18715 7914 1 13 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.157 0.451 18715 7915 1 13 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.285 -0.852 18715 7916 1 13 . 1 1 104 104 ILE H H 104 8.163 8.163 7.625 0.538 18715 7917 1 13 . 1 1 105 105 GLU N N 105 121.415 121.415 121.233 0.182 18715 7918 1 13 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.003 0.032 18715 7919 1 13 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.819 -0.185 18715 7920 1 13 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.570 3.186 18715 7921 1 13 . 1 1 105 105 GLU H H 105 8.001 8.001 8.133 -0.132 18715 7922 1 13 . 1 1 106 106 GLU N N 106 119.228 119.228 119.164 0.064 18715 7923 1 13 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.084 0.006 18715 7924 1 13 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.380 -0.113 18715 7925 1 13 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.641 -0.044 18715 7926 1 13 . 1 1 106 106 GLU H H 106 8.031 8.031 8.585 -0.554 18715 7927 1 13 . 1 1 107 107 GLU N N 107 118.915 118.915 119.710 -0.795 18715 7928 1 13 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.060 0.013 18715 7929 1 13 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.560 -0.219 18715 7930 1 13 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.531 0.339 18715 7931 1 13 . 1 1 107 107 GLU H H 107 8.016 8.016 7.585 0.431 18715 7932 1 13 . 1 1 108 108 GLN N N 108 118.290 118.290 118.175 0.115 18715 7933 1 13 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.097 0.050 18715 7934 1 13 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.162 0.245 18715 7935 1 13 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.316 0.529 18715 7936 1 13 . 1 1 108 108 GLN H H 108 8.252 8.252 7.706 0.546 18715 7937 1 13 . 1 1 109 109 ASN N N 109 118.290 118.290 119.533 -1.243 18715 7938 1 13 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.431 0.186 18715 7939 1 13 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.009 -1.127 18715 7940 1 13 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.202 0.323 18715 7941 1 13 . 1 1 109 109 ASN H H 109 8.252 8.252 8.086 0.166 18715 7942 1 13 . 1 1 110 110 LYS N N 110 120.478 120.478 120.092 0.386 18715 7943 1 13 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.992 0.238 18715 7944 1 13 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.632 -1.321 18715 7945 1 13 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.290 0.401 18715 7946 1 13 . 1 1 110 110 LYS H H 110 8.031 8.031 7.785 0.246 18715 7947 1 13 . 1 1 111 111 SER N N 111 114.540 114.540 113.558 0.982 18715 7948 1 13 . 1 1 111 111 SER HA H 111 4.368 4.368 4.280 0.088 18715 7949 1 13 . 1 1 111 111 SER CA C 111 59.764 59.764 60.718 -0.954 18715 7950 1 13 . 1 1 111 111 SER CB C 111 63.442 63.442 62.930 0.512 18715 7951 1 13 . 1 1 111 111 SER H H 111 8.031 8.031 7.763 0.268 18715 7952 1 13 . 1 1 112 112 LYS N N 112 122.040 122.040 120.769 1.271 18715 7953 1 13 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.198 0.047 18715 7954 1 13 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.330 -1.000 18715 7955 1 13 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.642 0.133 18715 7956 1 13 . 1 1 112 112 LYS H H 112 7.957 7.957 7.761 0.196 18715 7957 1 13 . 1 1 113 113 LYS N N 113 120.790 120.790 118.485 2.305 18715 7958 1 13 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.291 -0.141 18715 7959 1 13 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.627 0.507 18715 7960 1 13 . 1 1 113 113 LYS CB C 113 32.766 32.766 33.218 -0.452 18715 7961 1 13 . 1 1 113 113 LYS H H 113 8.016 8.016 7.739 0.277 18715 7962 1 13 . 1 1 114 114 LYS N N 114 121.728 121.728 119.958 1.770 18715 7963 1 13 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.025 0.238 18715 7964 1 13 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.403 -2.218 18715 7965 1 13 . 1 1 114 114 LYS CB C 114 32.857 32.857 31.849 1.008 18715 7966 1 13 . 1 1 114 114 LYS H H 114 8.119 8.119 8.438 -0.319 18715 7967 1 13 . 1 1 115 115 ALA N N 115 124.228 124.228 122.048 2.180 18715 7968 1 13 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.114 0.154 18715 7969 1 13 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.404 -1.369 18715 7970 1 13 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.293 0.745 18715 7971 1 13 . 1 1 115 115 ALA H H 115 8.178 8.178 7.833 0.345 18715 7972 1 13 . 1 1 116 116 GLN N N 116 119.228 119.228 116.924 2.304 18715 7973 1 13 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.472 -0.224 18715 7974 1 13 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.418 1.131 18715 7975 1 13 . 1 1 116 116 GLN H H 116 8.237 8.237 7.892 0.345 18715 7976 1 13 . 1 1 117 117 GLN N N 117 120.478 120.478 119.012 1.466 18715 7977 1 13 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.101 0.168 18715 7978 1 13 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.587 -2.263 18715 7979 1 13 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.558 1.048 18715 7980 1 13 . 1 1 117 117 GLN H H 117 8.266 8.266 8.221 0.045 18715 7981 1 13 . 1 1 118 118 ALA N N 118 124.852 124.852 123.757 1.095 18715 7982 1 13 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.115 0.161 18715 7983 1 13 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.213 -1.376 18715 7984 1 13 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.324 0.738 18715 7985 1 13 . 1 1 118 118 ALA H H 118 8.266 8.266 8.406 -0.140 18715 7986 1 13 . 1 1 119 119 ALA N N 119 122.978 122.978 120.418 2.560 18715 7987 1 13 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.399 -0.105 18715 7988 1 13 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.550 1.087 18715 7989 1 13 . 1 1 119 119 ALA CB C 119 19.201 19.201 16.686 2.515 18715 7990 1 13 . 1 1 119 119 ALA H H 119 8.163 8.163 8.102 0.061 18715 7991 1 13 . 1 1 120 120 ALA N N 120 122.665 122.665 122.315 0.350 18715 7992 1 13 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.482 -0.205 18715 7993 1 13 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.705 0.031 18715 7994 1 13 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.807 -0.640 18715 7995 1 13 . 1 1 120 120 ALA H H 120 8.163 8.163 7.595 0.568 18715 7996 1 13 . 1 1 121 121 ASP N N 121 119.228 119.228 119.361 -0.133 18715 7997 1 13 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.659 0.023 18715 7998 1 13 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.266 -0.002 18715 7999 1 13 . 1 1 121 121 ASP CB C 121 41.128 41.128 42.213 -1.085 18715 8000 1 13 . 1 1 121 121 ASP H H 121 8.252 8.252 8.313 -0.061 18715 8001 1 13 . 1 1 122 122 THR N N 122 113.602 113.602 114.590 -0.988 18715 8002 1 13 . 1 1 122 122 THR HA H 122 4.358 4.358 4.042 0.316 18715 8003 1 13 . 1 1 122 122 THR CA C 122 61.971 61.971 62.408 -0.437 18715 8004 1 13 . 1 1 122 122 THR CB C 122 69.586 69.586 68.747 0.839 18715 8005 1 13 . 1 1 122 122 THR H H 122 8.075 8.075 8.290 -0.215 18715 8006 1 13 . 1 1 123 123 GLY N N 123 110.478 110.478 110.025 0.453 18715 8007 1 13 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.837 0.766 18715 8008 1 13 . 1 1 123 123 GLY H H 123 8.414 8.414 8.452 -0.038 18715 8009 1 13 . 1 1 124 124 ASN N N 124 118.602 118.602 122.057 -3.455 18715 8010 1 13 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.689 -0.081 18715 8011 1 13 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.143 2.590 18715 8012 1 13 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.322 -1.784 18715 8013 1 13 . 1 1 124 124 ASN H H 124 8.266 8.266 8.386 -0.120 18715 8014 1 13 . 1 1 125 125 ASN N N 125 119.228 119.228 119.126 0.102 18715 8015 1 13 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.549 0.175 18715 8016 1 13 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.724 -0.271 18715 8017 1 13 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.448 0.365 18715 8018 1 13 . 1 1 125 125 ASN H H 125 8.443 8.443 8.383 0.060 18715 8019 1 13 . 1 1 126 126 SER N N 126 115.790 115.790 117.172 -1.382 18715 8020 1 13 . 1 1 126 126 SER HA H 126 4.388 4.388 4.461 -0.073 18715 8021 1 13 . 1 1 126 126 SER CA C 126 58.851 58.851 58.062 0.789 18715 8022 1 13 . 1 1 126 126 SER CB C 126 63.926 63.926 64.782 -0.857 18715 8023 1 13 . 1 1 126 126 SER H H 126 8.266 8.266 8.226 0.040 18715 8024 1 13 . 1 1 127 127 GLN N N 127 121.728 121.728 125.877 -4.149 18715 8025 1 13 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.491 -0.168 18715 8026 1 13 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.734 0.489 18715 8027 1 13 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.348 -0.180 18715 8028 1 13 . 1 1 127 127 GLN H H 127 8.355 8.355 8.457 -0.102 18715 8029 1 13 . 1 1 128 128 VAL N N 128 119.852 119.852 118.647 1.205 18715 8030 1 13 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.448 -0.339 18715 8031 1 13 . 1 1 128 128 VAL CA C 128 62.665 62.665 60.707 1.958 18715 8032 1 13 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.906 -1.137 18715 8033 1 13 . 1 1 128 128 VAL H H 128 7.986 7.986 8.114 -0.128 18715 8034 1 13 . 1 1 129 129 SER N N 129 117.978 117.978 116.488 1.490 18715 8035 1 13 . 1 1 129 129 SER HA H 129 4.136 4.136 4.559 -0.423 18715 8036 1 13 . 1 1 129 129 SER CA C 129 58.404 58.404 57.937 0.467 18715 8037 1 13 . 1 1 129 129 SER CB C 129 63.755 63.755 63.891 -0.136 18715 8038 1 13 . 1 1 129 129 SER H H 129 8.252 8.252 8.267 -0.015 18715 8039 1 13 . 1 1 130 130 GLN N N 130 121.728 121.728 122.675 -0.947 18715 8040 1 13 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.147 0.208 18715 8041 1 13 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.761 -0.611 18715 8042 1 13 . 1 1 130 130 GLN CB C 130 29.373 29.373 28.383 0.990 18715 8043 1 13 . 1 1 130 130 GLN H H 130 8.355 8.355 8.584 -0.229 18715 8044 1 13 . 1 1 131 131 ASN N N 131 118.290 118.290 121.793 -3.503 18715 8045 1 13 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.886 -0.254 18715 8046 1 13 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.788 -0.220 18715 8047 1 13 . 1 1 131 131 ASN H H 131 8.252 8.252 8.223 0.028 18715 8048 1 14 . 1 1 3 3 ALA N N 3 123.842 123.842 122.599 1.243 18715 8049 1 14 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.664 -0.336 18715 8050 1 14 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.671 0.866 18715 8051 1 14 . 1 1 3 3 ALA CB C 3 17.251 17.251 20.138 -2.887 18715 8052 1 14 . 1 1 3 3 ALA H H 3 8.183 8.183 7.690 0.493 18715 8053 1 14 . 1 1 4 4 ARG N N 4 120.165 120.165 119.978 0.187 18715 8054 1 14 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.368 -0.112 18715 8055 1 14 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.010 -0.045 18715 8056 1 14 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.962 -0.001 18715 8057 1 14 . 1 1 4 4 ARG H H 4 8.429 8.429 8.227 0.202 18715 8058 1 14 . 1 1 5 5 ALA N N 5 125.165 125.165 124.176 0.989 18715 8059 1 14 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.518 -0.236 18715 8060 1 14 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.370 1.001 18715 8061 1 14 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.255 -0.583 18715 8062 1 14 . 1 1 5 5 ALA H H 5 8.370 8.370 8.264 0.106 18715 8063 1 14 . 1 1 6 6 SER N N 6 114.540 114.540 115.427 -0.887 18715 8064 1 14 . 1 1 6 6 SER HA H 6 4.479 4.479 4.501 -0.022 18715 8065 1 14 . 1 1 6 6 SER CA C 6 57.804 57.804 58.636 -0.832 18715 8066 1 14 . 1 1 6 6 SER CB C 6 64.034 64.034 63.938 0.095 18715 8067 1 14 . 1 1 6 6 SER H H 6 8.134 8.134 8.393 -0.259 18715 8068 1 14 . 1 1 7 7 VAL N N 7 121.415 121.415 119.264 2.151 18715 8069 1 14 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.206 -0.589 18715 8070 1 14 . 1 1 7 7 VAL CA C 7 65.711 65.711 62.877 2.834 18715 8071 1 14 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.397 -0.461 18715 8072 1 14 . 1 1 7 7 VAL H H 7 8.119 8.119 8.087 0.032 18715 8073 1 14 . 1 1 8 8 LEU N N 8 115.478 115.478 121.030 -5.552 18715 8074 1 14 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.839 0.093 18715 8075 1 14 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.427 -0.920 18715 8076 1 14 . 1 1 8 8 LEU CB C 8 44.303 44.303 42.490 1.813 18715 8077 1 14 . 1 1 8 8 LEU H H 8 7.382 7.382 7.705 -0.323 18715 8078 1 14 . 1 1 9 9 SER N N 9 118.290 118.290 120.797 -2.507 18715 8079 1 14 . 1 1 9 9 SER HA H 9 4.606 4.606 4.363 0.243 18715 8080 1 14 . 1 1 9 9 SER CA C 9 57.197 57.197 57.795 -0.598 18715 8081 1 14 . 1 1 9 9 SER CB C 9 65.426 65.426 64.741 0.685 18715 8082 1 14 . 1 1 9 9 SER H H 9 9.166 9.166 8.762 0.404 18715 8083 1 14 . 1 1 10 10 GLY N N 10 109.228 109.228 108.440 0.788 18715 8084 1 14 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.970 0.704 18715 8085 1 14 . 1 1 10 10 GLY H H 10 8.959 8.959 8.711 0.248 18715 8086 1 14 . 1 1 11 11 GLY N N 11 111.102 111.102 109.899 1.203 18715 8087 1 14 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.472 0.189 18715 8088 1 14 . 1 1 11 11 GLY H H 11 8.782 8.782 7.802 0.980 18715 8089 1 14 . 1 1 12 12 GLU N N 12 120.165 120.165 122.046 -1.881 18715 8090 1 14 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.006 -0.056 18715 8091 1 14 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.814 0.282 18715 8092 1 14 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.495 1.795 18715 8093 1 14 . 1 1 12 12 GLU H H 12 7.751 7.751 7.543 0.208 18715 8094 1 14 . 1 1 13 13 LEU N N 13 121.415 121.415 121.765 -0.350 18715 8095 1 14 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.071 0.037 18715 8096 1 14 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.292 -0.230 18715 8097 1 14 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.832 -0.896 18715 8098 1 14 . 1 1 13 13 LEU H H 13 8.340 8.340 8.361 -0.021 18715 8099 1 14 . 1 1 14 14 ASP N N 14 116.415 116.415 119.484 -3.069 18715 8100 1 14 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.355 0.038 18715 8101 1 14 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.951 -0.815 18715 8102 1 14 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.399 0.687 18715 8103 1 14 . 1 1 14 14 ASP H H 14 7.574 7.574 7.910 -0.336 18715 8104 1 14 . 1 1 15 15 LYS N N 15 115.478 115.478 120.229 -4.751 18715 8105 1 14 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.143 -0.097 18715 8106 1 14 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.494 -1.092 18715 8107 1 14 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.424 -0.065 18715 8108 1 14 . 1 1 15 15 LYS H H 15 7.117 7.117 7.568 -0.451 18715 8109 1 14 . 1 1 16 16 TRP N N 16 121.693 121.693 121.331 0.362 18715 8110 1 14 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.148 -0.123 18715 8111 1 14 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.708 -0.422 18715 8112 1 14 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.575 1.538 18715 8113 1 14 . 1 1 16 16 TRP H H 16 8.646 8.646 8.277 0.369 18715 8114 1 14 . 1 1 17 17 GLU N N 17 127.710 127.710 116.534 11.176 18715 8115 1 14 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.326 0.365 18715 8116 1 14 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.737 -1.968 18715 8117 1 14 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.462 0.283 18715 8118 1 14 . 1 1 17 17 GLU H H 17 7.571 7.571 8.237 -0.666 18715 8119 1 14 . 1 1 18 18 LYS N N 18 115.790 115.790 118.747 -2.957 18715 8120 1 14 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.206 0.291 18715 8121 1 14 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.895 -2.325 18715 8122 1 14 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.977 0.962 18715 8123 1 14 . 1 1 18 18 LYS H H 18 7.456 7.456 7.237 0.219 18715 8124 1 14 . 1 1 19 19 ILE N N 19 124.228 124.228 119.425 4.803 18715 8125 1 14 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.947 -0.390 18715 8126 1 14 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.687 -0.567 18715 8127 1 14 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.709 0.473 18715 8128 1 14 . 1 1 19 19 ILE H H 19 7.633 7.633 8.058 -0.425 18715 8129 1 14 . 1 1 20 20 ARG N N 20 125.790 125.790 123.922 1.868 18715 8130 1 14 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.453 -0.025 18715 8131 1 14 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.853 1.642 18715 8132 1 14 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.883 -0.346 18715 8133 1 14 . 1 1 20 20 ARG H H 20 8.031 8.031 8.345 -0.314 18715 8134 1 14 . 1 1 21 21 LEU N N 21 120.165 120.165 120.518 -0.353 18715 8135 1 14 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.846 -0.400 18715 8136 1 14 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.078 1.157 18715 8137 1 14 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.010 -0.475 18715 8138 1 14 . 1 1 21 21 LEU H H 21 7.810 7.810 8.226 -0.416 18715 8139 1 14 . 1 1 22 22 ARG N N 22 119.540 119.540 115.245 4.295 18715 8140 1 14 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.657 0.188 18715 8141 1 14 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.290 -0.446 18715 8142 1 14 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.642 -1.025 18715 8143 1 14 . 1 1 22 22 ARG H H 22 8.974 8.974 7.493 1.481 18715 8144 1 14 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.347 0.013 18715 8145 1 14 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.957 -1.521 18715 8146 1 14 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.156 -0.591 18715 8147 1 14 . 1 1 24 24 GLY N N 24 112.665 112.665 107.164 5.501 18715 8148 1 14 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.467 1.338 18715 8149 1 14 . 1 1 24 24 GLY H H 24 9.138 9.138 8.202 0.936 18715 8150 1 14 . 1 1 25 25 GLY N N 25 107.978 107.978 108.262 -0.284 18715 8151 1 14 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.531 0.041 18715 8152 1 14 . 1 1 25 25 GLY H H 25 8.134 8.134 7.474 0.660 18715 8153 1 14 . 1 1 26 26 LYS N N 26 117.665 117.665 119.604 -1.939 18715 8154 1 14 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.504 -0.240 18715 8155 1 14 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.020 0.833 18715 8156 1 14 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.402 1.654 18715 8157 1 14 . 1 1 26 26 LYS H H 26 8.665 8.665 8.309 0.356 18715 8158 1 14 . 1 1 27 27 LYS N N 27 117.925 117.925 119.588 -1.663 18715 8159 1 14 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.519 -0.208 18715 8160 1 14 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.684 1.528 18715 8161 1 14 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.978 -1.100 18715 8162 1 14 . 1 1 27 27 LYS H H 27 7.817 7.817 7.801 0.016 18715 8163 1 14 . 1 1 28 28 GLN N N 28 122.978 122.978 119.916 3.062 18715 8164 1 14 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.346 0.470 18715 8165 1 14 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.832 -0.359 18715 8166 1 14 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.280 3.774 18715 8167 1 14 . 1 1 28 28 GLN H H 28 8.458 8.458 8.341 0.117 18715 8168 1 14 . 1 1 29 29 TYR N N 29 119.540 119.540 119.523 0.017 18715 8169 1 14 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.468 -0.736 18715 8170 1 14 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.876 2.134 18715 8171 1 14 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.296 -2.080 18715 8172 1 14 . 1 1 29 29 TYR H H 29 7.824 7.824 8.475 -0.651 18715 8173 1 14 . 1 1 30 30 LYS N N 30 117.978 117.978 120.920 -2.942 18715 8174 1 14 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.960 0.256 18715 8175 1 14 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.052 -0.987 18715 8176 1 14 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.174 2.414 18715 8177 1 14 . 1 1 30 30 LYS H H 30 10.610 10.610 9.286 1.324 18715 8178 1 14 . 1 1 31 31 LEU N N 31 128.602 128.602 124.716 3.886 18715 8179 1 14 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.049 0.132 18715 8180 1 14 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.548 0.686 18715 8181 1 14 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.747 -0.745 18715 8182 1 14 . 1 1 31 31 LEU H H 31 9.991 9.991 8.895 1.096 18715 8183 1 14 . 1 1 32 32 LYS N N 32 115.165 115.165 119.001 -3.836 18715 8184 1 14 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.964 0.181 18715 8185 1 14 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.542 -0.445 18715 8186 1 14 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.739 -0.180 18715 8187 1 14 . 1 1 32 32 LYS H H 32 8.399 8.399 8.612 -0.213 18715 8188 1 14 . 1 1 33 33 HIS N N 33 119.540 119.540 117.092 2.448 18715 8189 1 14 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.687 -0.083 18715 8190 1 14 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.542 3.349 18715 8191 1 14 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.586 2.198 18715 8192 1 14 . 1 1 33 33 HIS H H 33 8.193 8.193 8.030 0.163 18715 8193 1 14 . 1 1 34 34 ILE N N 34 119.540 119.540 120.887 -1.347 18715 8194 1 14 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.868 -0.074 18715 8195 1 14 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.805 -0.957 18715 8196 1 14 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.668 -0.689 18715 8197 1 14 . 1 1 34 34 ILE H H 34 7.898 7.898 7.561 0.338 18715 8198 1 14 . 1 1 35 35 VAL N N 35 122.040 122.040 119.701 2.339 18715 8199 1 14 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.672 -0.060 18715 8200 1 14 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.924 -0.178 18715 8201 1 14 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.717 0.425 18715 8202 1 14 . 1 1 35 35 VAL H H 35 7.706 7.706 8.484 -0.778 18715 8203 1 14 . 1 1 36 36 TRP N N 36 119.986 119.986 121.471 -1.485 18715 8204 1 14 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.147 0.086 18715 8205 1 14 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.857 0.253 18715 8206 1 14 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.428 -1.016 18715 8207 1 14 . 1 1 36 36 TRP H H 36 8.452 8.452 7.689 0.763 18715 8208 1 14 . 1 1 37 37 ALA N N 37 120.478 120.478 119.688 0.790 18715 8209 1 14 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.618 -0.228 18715 8210 1 14 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.182 -0.069 18715 8211 1 14 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.064 -0.635 18715 8212 1 14 . 1 1 37 37 ALA H H 37 8.311 8.311 8.030 0.280 18715 8213 1 14 . 1 1 38 38 SER N N 38 111.415 111.415 114.570 -3.155 18715 8214 1 14 . 1 1 38 38 SER HA H 38 3.906 3.906 4.013 -0.107 18715 8215 1 14 . 1 1 38 38 SER CA C 38 62.801 62.801 62.444 0.357 18715 8216 1 14 . 1 1 38 38 SER CB C 38 62.829 62.829 62.925 -0.096 18715 8217 1 14 . 1 1 38 38 SER H H 38 8.259 8.259 7.677 0.582 18715 8218 1 14 . 1 1 39 39 ARG N N 39 119.852 119.852 119.323 0.529 18715 8219 1 14 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.957 0.189 18715 8220 1 14 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.867 -0.458 18715 8221 1 14 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.279 -0.271 18715 8222 1 14 . 1 1 39 39 ARG H H 39 7.559 7.559 7.663 -0.104 18715 8223 1 14 . 1 1 40 40 GLU N N 40 121.102 121.102 118.366 2.736 18715 8224 1 14 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.912 -0.125 18715 8225 1 14 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.769 0.512 18715 8226 1 14 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.071 0.603 18715 8227 1 14 . 1 1 40 40 GLU H H 40 8.222 8.222 7.443 0.779 18715 8228 1 14 . 1 1 41 41 LEU N N 41 117.040 117.040 121.009 -3.969 18715 8229 1 14 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.178 -0.225 18715 8230 1 14 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.033 0.290 18715 8231 1 14 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.983 -1.804 18715 8232 1 14 . 1 1 41 41 LEU H H 41 8.016 8.016 8.155 -0.139 18715 8233 1 14 . 1 1 42 42 GLU N N 42 117.352 117.352 119.061 -1.709 18715 8234 1 14 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.100 0.027 18715 8235 1 14 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.354 0.217 18715 8236 1 14 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.229 0.436 18715 8237 1 14 . 1 1 42 42 GLU H H 42 7.559 7.559 7.864 -0.305 18715 8238 1 14 . 1 1 43 43 ARG N N 43 119.540 119.540 119.081 0.459 18715 8239 1 14 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.013 0.029 18715 8240 1 14 . 1 1 43 43 ARG CA C 43 58.490 58.490 57.721 0.769 18715 8241 1 14 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.901 -0.236 18715 8242 1 14 . 1 1 43 43 ARG H H 43 7.647 7.647 7.645 0.002 18715 8243 1 14 . 1 1 44 44 PHE N N 44 117.665 117.665 118.547 -0.882 18715 8244 1 14 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.692 -0.078 18715 8245 1 14 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.641 0.717 18715 8246 1 14 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.371 0.795 18715 8247 1 14 . 1 1 44 44 PHE H H 44 7.529 7.529 7.611 -0.082 18715 8248 1 14 . 1 1 45 45 ALA N N 45 118.915 118.915 119.869 -0.954 18715 8249 1 14 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.930 0.085 18715 8250 1 14 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.353 0.061 18715 8251 1 14 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.006 -0.727 18715 8252 1 14 . 1 1 45 45 ALA H H 45 7.928 7.928 7.692 0.236 18715 8253 1 14 . 1 1 46 46 VAL N N 46 119.540 119.540 118.605 0.935 18715 8254 1 14 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.177 -0.082 18715 8255 1 14 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.180 -0.359 18715 8256 1 14 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.552 -0.186 18715 8257 1 14 . 1 1 46 46 VAL H H 46 7.765 7.765 7.809 -0.044 18715 8258 1 14 . 1 1 47 47 ASN N N 47 125.790 125.790 126.327 -0.537 18715 8259 1 14 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.859 -0.213 18715 8260 1 14 . 1 1 47 47 ASN CA C 47 50.997 50.997 51.420 -0.423 18715 8261 1 14 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.397 0.689 18715 8262 1 14 . 1 1 47 47 ASN H H 47 8.399 8.399 8.891 -0.492 18715 8263 1 14 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.408 -0.186 18715 8264 1 14 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.257 0.057 18715 8265 1 14 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.949 -0.209 18715 8266 1 14 . 1 1 49 49 GLY N N 49 108.290 108.290 107.152 1.138 18715 8267 1 14 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.022 1.508 18715 8268 1 14 . 1 1 49 49 GLY H H 49 8.620 8.620 8.139 0.481 18715 8269 1 14 . 1 1 50 50 LEU N N 50 121.728 121.728 118.928 2.800 18715 8270 1 14 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.454 -0.308 18715 8271 1 14 . 1 1 50 50 LEU CA C 50 57.241 57.241 54.953 2.288 18715 8272 1 14 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.661 -1.099 18715 8273 1 14 . 1 1 50 50 LEU H H 50 7.765 7.765 7.308 0.457 18715 8274 1 14 . 1 1 51 51 LEU N N 51 112.040 112.040 119.703 -7.663 18715 8275 1 14 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.153 0.085 18715 8276 1 14 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.307 -0.800 18715 8277 1 14 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.878 0.612 18715 8278 1 14 . 1 1 51 51 LEU H H 51 7.412 7.412 7.509 -0.097 18715 8279 1 14 . 1 1 52 52 GLU N N 52 114.540 114.540 113.328 1.212 18715 8280 1 14 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.212 -0.157 18715 8281 1 14 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.903 1.481 18715 8282 1 14 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.376 1.682 18715 8283 1 14 . 1 1 52 52 GLU H H 52 7.500 7.500 8.578 -1.078 18715 8284 1 14 . 1 1 53 53 THR N N 53 122.978 122.978 111.972 11.006 18715 8285 1 14 . 1 1 53 53 THR HA H 53 4.402 4.402 4.440 -0.038 18715 8286 1 14 . 1 1 53 53 THR CA C 53 58.306 58.306 59.953 -1.647 18715 8287 1 14 . 1 1 53 53 THR CB C 53 73.222 73.222 71.944 1.278 18715 8288 1 14 . 1 1 53 53 THR H H 53 7.235 7.235 7.493 -0.258 18715 8289 1 14 . 1 1 54 54 SER N N 54 119.228 119.228 120.716 -1.488 18715 8290 1 14 . 1 1 54 54 SER HA H 54 4.043 4.043 4.209 -0.166 18715 8291 1 14 . 1 1 54 54 SER CA C 54 62.657 62.657 61.632 1.025 18715 8292 1 14 . 1 1 54 54 SER CB C 54 62.562 62.562 62.880 -0.319 18715 8293 1 14 . 1 1 54 54 SER H H 54 9.313 9.313 8.890 0.423 18715 8294 1 14 . 1 1 55 55 GLU N N 55 121.233 121.233 121.821 -0.588 18715 8295 1 14 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.370 -0.301 18715 8296 1 14 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.759 0.916 18715 8297 1 14 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.496 -0.497 18715 8298 1 14 . 1 1 55 55 GLU H H 55 8.975 8.975 8.474 0.501 18715 8299 1 14 . 1 1 56 56 GLY N N 56 110.790 110.790 108.192 2.598 18715 8300 1 14 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.486 0.380 18715 8301 1 14 . 1 1 56 56 GLY H H 56 8.517 8.517 8.433 0.084 18715 8302 1 14 . 1 1 57 57 CYS N N 57 118.602 118.602 119.058 -0.456 18715 8303 1 14 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.100 -0.080 18715 8304 1 14 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.148 0.453 18715 8305 1 14 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.688 20.107 18715 8306 1 14 . 1 1 57 57 CYS H H 57 8.122 8.122 7.989 0.133 18715 8307 1 14 . 1 1 58 58 ARG N N 58 119.540 119.540 119.806 -0.266 18715 8308 1 14 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.644 -0.094 18715 8309 1 14 . 1 1 58 58 ARG CA C 58 59.707 59.707 60.165 -0.458 18715 8310 1 14 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.718 -0.269 18715 8311 1 14 . 1 1 58 58 ARG H H 58 8.488 8.488 7.787 0.701 18715 8312 1 14 . 1 1 59 59 GLN N N 59 119.852 119.852 118.440 1.412 18715 8313 1 14 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.083 -0.031 18715 8314 1 14 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.911 0.489 18715 8315 1 14 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.601 -0.367 18715 8316 1 14 . 1 1 59 59 GLN H H 59 8.016 8.016 7.672 0.344 18715 8317 1 14 . 1 1 60 60 ILE N N 60 120.790 120.790 119.967 0.823 18715 8318 1 14 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.724 -0.113 18715 8319 1 14 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.207 0.383 18715 8320 1 14 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.087 -0.236 18715 8321 1 14 . 1 1 60 60 ILE H H 60 8.163 8.163 7.521 0.642 18715 8322 1 14 . 1 1 61 61 LEU N N 61 118.915 118.915 119.937 -1.022 18715 8323 1 14 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.104 -0.209 18715 8324 1 14 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.715 0.939 18715 8325 1 14 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.249 -0.473 18715 8326 1 14 . 1 1 61 61 LEU H H 61 8.370 8.370 8.542 -0.172 18715 8327 1 14 . 1 1 62 62 GLY N N 62 104.332 104.332 106.514 -2.182 18715 8328 1 14 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.039 0.145 18715 8329 1 14 . 1 1 62 62 GLY H H 62 7.883 7.883 8.258 -0.375 18715 8330 1 14 . 1 1 63 63 GLN N N 63 119.852 119.852 118.895 0.957 18715 8331 1 14 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.254 -0.102 18715 8332 1 14 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.779 0.215 18715 8333 1 14 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.897 0.302 18715 8334 1 14 . 1 1 63 63 GLN H H 63 7.795 7.795 7.661 0.134 18715 8335 1 14 . 1 1 64 64 LEU N N 64 117.040 117.040 120.193 -3.153 18715 8336 1 14 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.006 0.275 18715 8337 1 14 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.852 -0.751 18715 8338 1 14 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.785 2.458 18715 8339 1 14 . 1 1 64 64 LEU H H 64 8.252 8.252 7.602 0.650 18715 8340 1 14 . 1 1 65 65 GLN N N 65 118.915 118.915 119.901 -0.986 18715 8341 1 14 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.907 -0.128 18715 8342 1 14 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.859 0.688 18715 8343 1 14 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.878 -1.014 18715 8344 1 14 . 1 1 65 65 GLN H H 65 8.104 8.104 8.378 -0.274 18715 8345 1 14 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.330 0.053 18715 8346 1 14 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.957 0.961 18715 8347 1 14 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.294 -0.195 18715 8348 1 14 . 1 1 67 67 SER N N 67 111.415 111.415 114.783 -3.368 18715 8349 1 14 . 1 1 67 67 SER HA H 67 4.493 4.493 4.275 0.218 18715 8350 1 14 . 1 1 67 67 SER CA C 67 59.696 59.696 60.277 -0.581 18715 8351 1 14 . 1 1 67 67 SER CB C 67 64.031 64.031 63.057 0.974 18715 8352 1 14 . 1 1 67 67 SER H H 67 7.824 7.824 7.415 0.409 18715 8353 1 14 . 1 1 68 68 LEU N N 68 121.102 121.102 121.704 -0.602 18715 8354 1 14 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.810 0.006 18715 8355 1 14 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.850 0.098 18715 8356 1 14 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.319 0.450 18715 8357 1 14 . 1 1 68 68 LEU H H 68 7.647 7.647 8.027 -0.380 18715 8358 1 14 . 1 1 69 69 GLN N N 69 116.415 116.415 119.552 -3.137 18715 8359 1 14 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.063 0.006 18715 8360 1 14 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.331 0.139 18715 8361 1 14 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.950 -0.522 18715 8362 1 14 . 1 1 69 69 GLN H H 69 8.060 8.060 8.050 0.010 18715 8363 1 14 . 1 1 70 70 THR N N 70 106.728 106.728 112.474 -5.746 18715 8364 1 14 . 1 1 70 70 THR HA H 70 4.481 4.481 4.558 -0.077 18715 8365 1 14 . 1 1 70 70 THR CA C 70 61.291 61.291 61.507 -0.216 18715 8366 1 14 . 1 1 70 70 THR CB C 70 69.415 69.415 69.024 0.391 18715 8367 1 14 . 1 1 70 70 THR H H 70 7.515 7.515 7.656 -0.141 18715 8368 1 14 . 1 1 71 71 GLY N N 71 109.540 109.540 110.628 -1.088 18715 8369 1 14 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.438 1.115 18715 8370 1 14 . 1 1 71 71 GLY H H 71 7.692 7.692 7.510 0.182 18715 8371 1 14 . 1 1 72 72 SER N N 72 114.540 114.540 114.386 0.154 18715 8372 1 14 . 1 1 72 72 SER HA H 72 4.625 4.625 4.860 -0.235 18715 8373 1 14 . 1 1 72 72 SER CA C 72 57.319 57.319 56.829 0.490 18715 8374 1 14 . 1 1 72 72 SER CB C 72 64.599 64.599 65.382 -0.783 18715 8375 1 14 . 1 1 72 72 SER H H 72 8.045 8.045 7.933 0.112 18715 8376 1 14 . 1 1 73 73 GLU N N 73 124.228 124.228 120.904 3.324 18715 8377 1 14 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.001 0.086 18715 8378 1 14 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.434 -1.054 18715 8379 1 14 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.654 -0.352 18715 8380 1 14 . 1 1 73 73 GLU H H 73 9.092 9.092 8.879 0.213 18715 8381 1 14 . 1 1 74 74 GLU N N 74 120.165 120.165 119.638 0.527 18715 8382 1 14 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.240 0.049 18715 8383 1 14 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.591 0.637 18715 8384 1 14 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.851 -0.389 18715 8385 1 14 . 1 1 74 74 GLU H H 74 8.665 8.665 7.726 0.939 18715 8386 1 14 . 1 1 75 75 LEU N N 75 121.415 121.415 120.389 1.026 18715 8387 1 14 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.049 0.112 18715 8388 1 14 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.165 -0.212 18715 8389 1 14 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.053 -0.785 18715 8390 1 14 . 1 1 75 75 LEU H H 75 7.765 7.765 7.747 0.018 18715 8391 1 14 . 1 1 76 76 ARG N N 76 119.228 119.228 119.150 0.078 18715 8392 1 14 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.910 0.023 18715 8393 1 14 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.197 -0.515 18715 8394 1 14 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.136 -0.939 18715 8395 1 14 . 1 1 76 76 ARG H H 76 7.868 7.868 8.457 -0.589 18715 8396 1 14 . 1 1 77 77 SER N N 77 114.228 114.228 116.156 -1.928 18715 8397 1 14 . 1 1 77 77 SER HA H 77 4.263 4.263 4.138 0.125 18715 8398 1 14 . 1 1 77 77 SER CA C 77 62.668 62.668 62.163 0.505 18715 8399 1 14 . 1 1 77 77 SER CB C 77 62.849 62.849 63.015 -0.166 18715 8400 1 14 . 1 1 77 77 SER H H 77 8.576 8.576 8.105 0.471 18715 8401 1 14 . 1 1 78 78 LEU N N 78 125.790 125.790 123.492 2.298 18715 8402 1 14 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.290 0.131 18715 8403 1 14 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.079 0.883 18715 8404 1 14 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.283 0.760 18715 8405 1 14 . 1 1 78 78 LEU H H 78 8.458 8.458 7.925 0.533 18715 8406 1 14 . 1 1 79 79 TYR N N 79 119.852 119.852 119.178 0.674 18715 8407 1 14 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.077 -0.416 18715 8408 1 14 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.725 1.077 18715 8409 1 14 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.324 0.870 18715 8410 1 14 . 1 1 79 79 TYR H H 79 8.694 8.694 8.677 0.017 18715 8411 1 14 . 1 1 80 80 ASN N N 80 117.040 117.040 117.521 -0.481 18715 8412 1 14 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.502 -0.218 18715 8413 1 14 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.326 -0.539 18715 8414 1 14 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.374 -0.535 18715 8415 1 14 . 1 1 80 80 ASN H H 80 8.871 8.871 7.981 0.890 18715 8416 1 14 . 1 1 81 81 THR N N 81 115.790 115.790 118.257 -2.467 18715 8417 1 14 . 1 1 81 81 THR HA H 81 3.945 3.945 4.236 -0.291 18715 8418 1 14 . 1 1 81 81 THR CA C 81 67.855 67.855 67.056 0.799 18715 8419 1 14 . 1 1 81 81 THR CB C 81 69.140 69.140 68.927 0.213 18715 8420 1 14 . 1 1 81 81 THR H H 81 8.119 8.119 8.249 -0.130 18715 8421 1 14 . 1 1 82 82 ILE N N 82 121.102 121.102 121.085 0.017 18715 8422 1 14 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.776 -0.108 18715 8423 1 14 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.453 -0.933 18715 8424 1 14 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.196 -0.709 18715 8425 1 14 . 1 1 82 82 ILE H H 82 8.090 8.090 8.762 -0.672 18715 8426 1 14 . 1 1 83 83 ALA N N 83 125.165 125.165 123.265 1.900 18715 8427 1 14 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.889 0.002 18715 8428 1 14 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.273 0.582 18715 8429 1 14 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.919 -0.071 18715 8430 1 14 . 1 1 83 83 ALA H H 83 8.782 8.782 7.357 1.425 18715 8431 1 14 . 1 1 84 84 VAL N N 84 117.665 117.665 119.142 -1.477 18715 8432 1 14 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.600 -0.272 18715 8433 1 14 . 1 1 84 84 VAL CA C 84 67.465 67.465 67.091 0.374 18715 8434 1 14 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.159 -0.464 18715 8435 1 14 . 1 1 84 84 VAL H H 84 7.795 7.795 7.598 0.197 18715 8436 1 14 . 1 1 85 85 LEU N N 85 122.040 122.040 120.397 1.643 18715 8437 1 14 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.961 -0.146 18715 8438 1 14 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.566 -0.257 18715 8439 1 14 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.933 0.215 18715 8440 1 14 . 1 1 85 85 LEU H H 85 8.163 8.163 8.138 0.025 18715 8441 1 14 . 1 1 86 86 TYR N N 86 118.915 118.915 120.196 -1.281 18715 8442 1 14 . 1 1 86 86 TYR HA H 86 3.912 3.912 3.997 -0.085 18715 8443 1 14 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.540 1.278 18715 8444 1 14 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.164 0.123 18715 8445 1 14 . 1 1 86 86 TYR H H 86 9.062 9.062 8.442 0.620 18715 8446 1 14 . 1 1 87 87 CYS N N 87 116.102 116.102 116.345 -0.243 18715 8447 1 14 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.891 -0.097 18715 8448 1 14 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.413 2.553 18715 8449 1 14 . 1 1 87 87 CYS CB C 87 46.557 46.557 25.800 20.757 18715 8450 1 14 . 1 1 87 87 CYS H H 87 7.515 7.515 8.582 -1.067 18715 8451 1 14 . 1 1 88 88 VAL N N 88 119.978 119.978 120.154 -0.176 18715 8452 1 14 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.937 -0.059 18715 8453 1 14 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.853 0.593 18715 8454 1 14 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.338 0.158 18715 8455 1 14 . 1 1 88 88 VAL H H 88 8.448 8.448 7.289 1.159 18715 8456 1 14 . 1 1 89 89 HIS N N 89 118.915 118.915 114.804 4.111 18715 8457 1 14 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.499 0.376 18715 8458 1 14 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.338 0.782 18715 8459 1 14 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.080 0.003 18715 8460 1 14 . 1 1 89 89 HIS H H 89 8.797 8.797 7.259 1.538 18715 8461 1 14 . 1 1 90 90 GLN N N 90 116.728 116.728 117.490 -0.762 18715 8462 1 14 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.256 0.129 18715 8463 1 14 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.182 1.107 18715 8464 1 14 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.180 2.772 18715 8465 1 14 . 1 1 90 90 GLN H H 90 7.986 7.986 7.197 0.789 18715 8466 1 14 . 1 1 91 91 ARG N N 91 115.165 115.165 117.386 -2.221 18715 8467 1 14 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.896 0.117 18715 8468 1 14 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.172 0.011 18715 8469 1 14 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.829 -1.780 18715 8470 1 14 . 1 1 91 91 ARG H H 91 7.883 7.883 7.581 0.302 18715 8471 1 14 . 1 1 92 92 ILE N N 92 120.087 120.087 120.418 -0.331 18715 8472 1 14 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.334 -0.349 18715 8473 1 14 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.396 0.260 18715 8474 1 14 . 1 1 92 92 ILE CB C 92 38.930 38.930 40.041 -1.111 18715 8475 1 14 . 1 1 92 92 ILE H H 92 8.335 8.335 8.180 0.155 18715 8476 1 14 . 1 1 93 93 ASP N N 93 129.228 129.228 125.933 3.295 18715 8477 1 14 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.885 -0.400 18715 8478 1 14 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.023 2.020 18715 8479 1 14 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.542 -1.146 18715 8480 1 14 . 1 1 93 93 ASP H H 93 8.620 8.620 8.522 0.098 18715 8481 1 14 . 1 1 94 94 VAL N N 94 115.790 115.790 116.548 -0.758 18715 8482 1 14 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.594 0.039 18715 8483 1 14 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.243 -0.124 18715 8484 1 14 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.597 0.915 18715 8485 1 14 . 1 1 94 94 VAL H H 94 7.751 7.751 8.215 -0.464 18715 8486 1 14 . 1 1 95 95 LYS N N 95 118.915 118.915 119.357 -0.442 18715 8487 1 14 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.395 -0.002 18715 8488 1 14 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.116 -0.445 18715 8489 1 14 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.897 0.111 18715 8490 1 14 . 1 1 95 95 LYS H H 95 9.239 9.239 8.743 0.496 18715 8491 1 14 . 1 1 96 96 ASP N N 96 112.040 112.040 113.166 -1.126 18715 8492 1 14 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.299 0.263 18715 8493 1 14 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.799 0.030 18715 8494 1 14 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.404 1.200 18715 8495 1 14 . 1 1 96 96 ASP H H 96 7.412 7.412 7.649 -0.237 18715 8496 1 14 . 1 1 97 97 THR N N 97 109.540 109.540 113.712 -4.172 18715 8497 1 14 . 1 1 97 97 THR HA H 97 3.661 3.661 4.023 -0.362 18715 8498 1 14 . 1 1 97 97 THR CA C 97 65.947 65.947 67.122 -1.175 18715 8499 1 14 . 1 1 97 97 THR CB C 97 70.285 70.285 68.990 1.295 18715 8500 1 14 . 1 1 97 97 THR H H 97 7.250 7.250 8.278 -1.028 18715 8501 1 14 . 1 1 98 98 LYS N N 98 121.102 121.102 121.505 -0.403 18715 8502 1 14 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.007 -0.062 18715 8503 1 14 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.583 0.045 18715 8504 1 14 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.873 0.054 18715 8505 1 14 . 1 1 98 98 LYS H H 98 7.868 7.868 8.088 -0.220 18715 8506 1 14 . 1 1 99 99 GLU N N 99 119.228 119.228 118.946 0.282 18715 8507 1 14 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.159 -0.082 18715 8508 1 14 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.800 -0.005 18715 8509 1 14 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.502 0.744 18715 8510 1 14 . 1 1 99 99 GLU H H 99 8.384 8.384 8.793 -0.409 18715 8511 1 14 . 1 1 100 100 ALA N N 100 118.915 118.915 122.204 -3.289 18715 8512 1 14 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.123 0.263 18715 8513 1 14 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.974 0.422 18715 8514 1 14 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.434 1.325 18715 8515 1 14 . 1 1 100 100 ALA H H 100 7.382 7.382 7.491 -0.109 18715 8516 1 14 . 1 1 101 101 LEU N N 101 117.978 117.978 119.388 -1.410 18715 8517 1 14 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.015 0.005 18715 8518 1 14 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.834 0.141 18715 8519 1 14 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.051 0.442 18715 8520 1 14 . 1 1 101 101 LEU H H 101 8.119 8.119 7.680 0.439 18715 8521 1 14 . 1 1 102 102 ASP N N 102 120.478 120.478 118.962 1.516 18715 8522 1 14 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.352 0.015 18715 8523 1 14 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.389 -0.037 18715 8524 1 14 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.161 -0.439 18715 8525 1 14 . 1 1 102 102 ASP H H 102 8.679 8.679 8.252 0.427 18715 8526 1 14 . 1 1 103 103 LYS N N 103 120.165 120.165 119.844 0.321 18715 8527 1 14 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.081 0.083 18715 8528 1 14 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.788 -0.424 18715 8529 1 14 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.258 -0.726 18715 8530 1 14 . 1 1 103 103 LYS H H 103 8.207 8.207 7.398 0.809 18715 8531 1 14 . 1 1 104 104 ILE N N 104 119.852 119.852 118.556 1.296 18715 8532 1 14 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.770 0.040 18715 8533 1 14 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.451 -0.842 18715 8534 1 14 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.553 -0.119 18715 8535 1 14 . 1 1 104 104 ILE H H 104 8.163 8.163 7.907 0.256 18715 8536 1 14 . 1 1 105 105 GLU N N 105 121.415 121.415 120.309 1.106 18715 8537 1 14 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.050 -0.015 18715 8538 1 14 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.541 0.093 18715 8539 1 14 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.685 3.071 18715 8540 1 14 . 1 1 105 105 GLU H H 105 8.001 8.001 7.956 0.045 18715 8541 1 14 . 1 1 106 106 GLU N N 106 119.228 119.228 119.314 -0.086 18715 8542 1 14 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.102 -0.012 18715 8543 1 14 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.183 0.084 18715 8544 1 14 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.672 -0.075 18715 8545 1 14 . 1 1 106 106 GLU H H 106 8.031 8.031 8.082 -0.051 18715 8546 1 14 . 1 1 107 107 GLU N N 107 118.915 118.915 120.300 -1.385 18715 8547 1 14 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.083 -0.010 18715 8548 1 14 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.460 -0.119 18715 8549 1 14 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.640 0.230 18715 8550 1 14 . 1 1 107 107 GLU H H 107 8.016 8.016 8.362 -0.346 18715 8551 1 14 . 1 1 108 108 GLN N N 108 118.290 118.290 117.865 0.425 18715 8552 1 14 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.100 0.047 18715 8553 1 14 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.362 0.045 18715 8554 1 14 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.756 0.089 18715 8555 1 14 . 1 1 108 108 GLN H H 108 8.252 8.252 7.644 0.608 18715 8556 1 14 . 1 1 109 109 ASN N N 109 118.290 118.290 119.103 -0.813 18715 8557 1 14 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.448 0.169 18715 8558 1 14 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.014 -1.132 18715 8559 1 14 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.493 0.032 18715 8560 1 14 . 1 1 109 109 ASN H H 109 8.252 8.252 7.877 0.375 18715 8561 1 14 . 1 1 110 110 LYS N N 110 120.478 120.478 120.160 0.318 18715 8562 1 14 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.909 0.321 18715 8563 1 14 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.997 -1.686 18715 8564 1 14 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.315 0.376 18715 8565 1 14 . 1 1 110 110 LYS H H 110 8.031 8.031 7.773 0.258 18715 8566 1 14 . 1 1 111 111 SER N N 111 114.540 114.540 114.276 0.264 18715 8567 1 14 . 1 1 111 111 SER HA H 111 4.368 4.368 4.182 0.186 18715 8568 1 14 . 1 1 111 111 SER CA C 111 59.764 59.764 61.339 -1.575 18715 8569 1 14 . 1 1 111 111 SER CB C 111 63.442 63.442 62.905 0.537 18715 8570 1 14 . 1 1 111 111 SER H H 111 8.031 8.031 7.659 0.372 18715 8571 1 14 . 1 1 112 112 LYS N N 112 122.040 122.040 120.820 1.220 18715 8572 1 14 . 1 1 112 112 LYS HA H 112 4.245 4.245 3.977 0.268 18715 8573 1 14 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.333 -2.004 18715 8574 1 14 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.347 0.428 18715 8575 1 14 . 1 1 112 112 LYS H H 112 7.957 7.957 7.587 0.370 18715 8576 1 14 . 1 1 113 113 LYS N N 113 120.790 120.790 117.798 2.992 18715 8577 1 14 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.058 0.092 18715 8578 1 14 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.864 0.270 18715 8579 1 14 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.357 0.409 18715 8580 1 14 . 1 1 113 113 LYS H H 113 8.016 8.016 7.549 0.467 18715 8581 1 14 . 1 1 114 114 LYS N N 114 121.728 121.728 118.989 2.739 18715 8582 1 14 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.097 0.166 18715 8583 1 14 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.079 -1.894 18715 8584 1 14 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.083 0.774 18715 8585 1 14 . 1 1 114 114 LYS H H 114 8.119 8.119 7.644 0.475 18715 8586 1 14 . 1 1 115 115 ALA N N 115 124.228 124.228 120.935 3.293 18715 8587 1 14 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.178 0.090 18715 8588 1 14 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.498 -1.463 18715 8589 1 14 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.735 0.303 18715 8590 1 14 . 1 1 115 115 ALA H H 115 8.178 8.178 7.581 0.597 18715 8591 1 14 . 1 1 116 116 GLN N N 116 119.228 119.228 116.124 3.104 18715 8592 1 14 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.547 -0.299 18715 8593 1 14 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.063 1.486 18715 8594 1 14 . 1 1 116 116 GLN H H 116 8.237 8.237 7.531 0.706 18715 8595 1 14 . 1 1 117 117 GLN N N 117 120.478 120.478 118.140 2.338 18715 8596 1 14 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.094 0.175 18715 8597 1 14 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.340 -2.015 18715 8598 1 14 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.821 0.785 18715 8599 1 14 . 1 1 117 117 GLN H H 117 8.266 8.266 7.454 0.812 18715 8600 1 14 . 1 1 118 118 ALA N N 118 124.852 124.852 122.523 2.329 18715 8601 1 14 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.230 0.046 18715 8602 1 14 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.806 -0.969 18715 8603 1 14 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.226 0.836 18715 8604 1 14 . 1 1 118 118 ALA H H 118 8.266 8.266 8.232 0.034 18715 8605 1 14 . 1 1 119 119 ALA N N 119 122.978 122.978 119.067 3.911 18715 8606 1 14 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.348 -0.054 18715 8607 1 14 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.060 0.577 18715 8608 1 14 . 1 1 119 119 ALA CB C 119 19.201 19.201 16.484 2.717 18715 8609 1 14 . 1 1 119 119 ALA H H 119 8.163 8.163 8.128 0.035 18715 8610 1 14 . 1 1 120 120 ALA N N 120 122.665 122.665 123.233 -0.568 18715 8611 1 14 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.403 -0.126 18715 8612 1 14 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.893 -0.157 18715 8613 1 14 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.009 -0.842 18715 8614 1 14 . 1 1 120 120 ALA H H 120 8.163 8.163 8.063 0.100 18715 8615 1 14 . 1 1 121 121 ASP N N 121 119.228 119.228 119.341 -0.113 18715 8616 1 14 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.424 0.258 18715 8617 1 14 . 1 1 121 121 ASP CA C 121 54.264 54.264 56.468 -2.204 18715 8618 1 14 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.180 -0.052 18715 8619 1 14 . 1 1 121 121 ASP H H 121 8.252 8.252 8.472 -0.220 18715 8620 1 14 . 1 1 122 122 THR N N 122 113.602 113.602 113.213 0.389 18715 8621 1 14 . 1 1 122 122 THR HA H 122 4.358 4.358 4.289 0.069 18715 8622 1 14 . 1 1 122 122 THR CA C 122 61.971 61.971 63.183 -1.212 18715 8623 1 14 . 1 1 122 122 THR CB C 122 69.586 69.586 68.905 0.681 18715 8624 1 14 . 1 1 122 122 THR H H 122 8.075 8.075 8.234 -0.159 18715 8625 1 14 . 1 1 123 123 GLY N N 123 110.478 110.478 110.512 -0.034 18715 8626 1 14 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.314 1.289 18715 8627 1 14 . 1 1 123 123 GLY H H 123 8.414 8.414 7.514 0.900 18715 8628 1 14 . 1 1 124 124 ASN N N 124 118.602 118.602 115.909 2.693 18715 8629 1 14 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.782 -0.174 18715 8630 1 14 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.102 1.631 18715 8631 1 14 . 1 1 124 124 ASN CB C 124 38.538 38.538 38.420 0.118 18715 8632 1 14 . 1 1 124 124 ASN H H 124 8.266 8.266 8.357 -0.091 18715 8633 1 14 . 1 1 125 125 ASN N N 125 119.228 119.228 119.238 -0.010 18715 8634 1 14 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.875 -0.151 18715 8635 1 14 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.312 0.141 18715 8636 1 14 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.043 -0.230 18715 8637 1 14 . 1 1 125 125 ASN H H 125 8.443 8.443 8.402 0.041 18715 8638 1 14 . 1 1 126 126 SER N N 126 115.790 115.790 115.925 -0.135 18715 8639 1 14 . 1 1 126 126 SER HA H 126 4.388 4.388 4.544 -0.156 18715 8640 1 14 . 1 1 126 126 SER CA C 126 58.851 58.851 58.088 0.763 18715 8641 1 14 . 1 1 126 126 SER CB C 126 63.926 63.926 63.658 0.267 18715 8642 1 14 . 1 1 126 126 SER H H 126 8.266 8.266 8.338 -0.072 18715 8643 1 14 . 1 1 127 127 GLN N N 127 121.728 121.728 123.390 -1.662 18715 8644 1 14 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.521 -0.198 18715 8645 1 14 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.170 1.053 18715 8646 1 14 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.345 -0.177 18715 8647 1 14 . 1 1 127 127 GLN H H 127 8.355 8.355 8.316 0.039 18715 8648 1 14 . 1 1 128 128 VAL N N 128 119.852 119.852 121.683 -1.831 18715 8649 1 14 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.226 -0.117 18715 8650 1 14 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.005 0.660 18715 8651 1 14 . 1 1 128 128 VAL CB C 128 32.769 32.769 30.733 2.036 18715 8652 1 14 . 1 1 128 128 VAL H H 128 7.986 7.986 8.328 -0.342 18715 8653 1 14 . 1 1 129 129 SER N N 129 117.978 117.978 122.671 -4.693 18715 8654 1 14 . 1 1 129 129 SER HA H 129 4.136 4.136 4.784 -0.648 18715 8655 1 14 . 1 1 129 129 SER CA C 129 58.404 58.404 58.260 0.144 18715 8656 1 14 . 1 1 129 129 SER CB C 129 63.755 63.755 63.472 0.283 18715 8657 1 14 . 1 1 129 129 SER H H 129 8.252 8.252 8.480 -0.228 18715 8658 1 14 . 1 1 130 130 GLN N N 130 121.728 121.728 121.993 -0.265 18715 8659 1 14 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.396 -0.041 18715 8660 1 14 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.581 0.569 18715 8661 1 14 . 1 1 130 130 GLN CB C 130 29.373 29.373 28.755 0.618 18715 8662 1 14 . 1 1 130 130 GLN H H 130 8.355 8.355 8.447 -0.092 18715 8663 1 14 . 1 1 131 131 ASN N N 131 118.290 118.290 119.041 -0.751 18715 8664 1 14 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.591 0.041 18715 8665 1 14 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.233 0.335 18715 8666 1 14 . 1 1 131 131 ASN H H 131 8.252 8.252 8.128 0.124 18715 8667 1 15 . 1 1 3 3 ALA N N 3 123.842 123.842 121.515 2.327 18715 8668 1 15 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.367 -0.039 18715 8669 1 15 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.032 0.505 18715 8670 1 15 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.059 -1.808 18715 8671 1 15 . 1 1 3 3 ALA H H 3 8.183 8.183 8.272 -0.089 18715 8672 1 15 . 1 1 4 4 ARG N N 4 120.165 120.165 121.073 -0.908 18715 8673 1 15 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.471 -0.215 18715 8674 1 15 . 1 1 4 4 ARG CA C 4 55.965 55.965 58.306 -2.341 18715 8675 1 15 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.167 0.794 18715 8676 1 15 . 1 1 4 4 ARG H H 4 8.429 8.429 8.659 -0.230 18715 8677 1 15 . 1 1 5 5 ALA N N 5 125.165 125.165 120.435 4.730 18715 8678 1 15 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.587 -0.305 18715 8679 1 15 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.399 0.972 18715 8680 1 15 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.138 -0.466 18715 8681 1 15 . 1 1 5 5 ALA H H 5 8.370 8.370 7.867 0.503 18715 8682 1 15 . 1 1 6 6 SER N N 6 114.540 114.540 112.579 1.961 18715 8683 1 15 . 1 1 6 6 SER HA H 6 4.479 4.479 4.594 -0.115 18715 8684 1 15 . 1 1 6 6 SER CA C 6 57.804 57.804 57.890 -0.086 18715 8685 1 15 . 1 1 6 6 SER CB C 6 64.034 64.034 65.787 -1.753 18715 8686 1 15 . 1 1 6 6 SER H H 6 8.134 8.134 8.152 -0.018 18715 8687 1 15 . 1 1 7 7 VAL N N 7 121.415 121.415 119.486 1.929 18715 8688 1 15 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.148 -0.531 18715 8689 1 15 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.018 2.693 18715 8690 1 15 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.346 -0.410 18715 8691 1 15 . 1 1 7 7 VAL H H 7 8.119 8.119 8.060 0.059 18715 8692 1 15 . 1 1 8 8 LEU N N 8 115.478 115.478 119.866 -4.388 18715 8693 1 15 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.682 0.250 18715 8694 1 15 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.429 -0.922 18715 8695 1 15 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.113 1.190 18715 8696 1 15 . 1 1 8 8 LEU H H 8 7.382 7.382 7.559 -0.177 18715 8697 1 15 . 1 1 9 9 SER N N 9 118.290 118.290 119.260 -0.970 18715 8698 1 15 . 1 1 9 9 SER HA H 9 4.606 4.606 4.548 0.058 18715 8699 1 15 . 1 1 9 9 SER CA C 9 57.197 57.197 57.705 -0.508 18715 8700 1 15 . 1 1 9 9 SER CB C 9 65.426 65.426 65.131 0.295 18715 8701 1 15 . 1 1 9 9 SER H H 9 9.166 9.166 8.871 0.295 18715 8702 1 15 . 1 1 10 10 GLY N N 10 109.228 109.228 108.651 0.577 18715 8703 1 15 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.084 0.590 18715 8704 1 15 . 1 1 10 10 GLY H H 10 8.959 8.959 8.667 0.292 18715 8705 1 15 . 1 1 11 11 GLY N N 11 111.102 111.102 110.000 1.102 18715 8706 1 15 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.446 0.215 18715 8707 1 15 . 1 1 11 11 GLY H H 11 8.782 8.782 7.814 0.968 18715 8708 1 15 . 1 1 12 12 GLU N N 12 120.165 120.165 122.126 -1.961 18715 8709 1 15 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.039 -0.089 18715 8710 1 15 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.614 0.482 18715 8711 1 15 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.496 1.794 18715 8712 1 15 . 1 1 12 12 GLU H H 12 7.751 7.751 7.579 0.172 18715 8713 1 15 . 1 1 13 13 LEU N N 13 121.415 121.415 121.351 0.064 18715 8714 1 15 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.051 0.057 18715 8715 1 15 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.354 -0.292 18715 8716 1 15 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.947 -1.011 18715 8717 1 15 . 1 1 13 13 LEU H H 13 8.340 8.340 8.330 0.010 18715 8718 1 15 . 1 1 14 14 ASP N N 14 116.415 116.415 119.252 -2.837 18715 8719 1 15 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.332 0.061 18715 8720 1 15 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.735 -0.599 18715 8721 1 15 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.811 0.275 18715 8722 1 15 . 1 1 14 14 ASP H H 14 7.574 7.574 7.881 -0.307 18715 8723 1 15 . 1 1 15 15 LYS N N 15 115.478 115.478 119.160 -3.682 18715 8724 1 15 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.101 -0.055 18715 8725 1 15 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.919 -0.517 18715 8726 1 15 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.123 0.236 18715 8727 1 15 . 1 1 15 15 LYS H H 15 7.117 7.117 7.466 -0.349 18715 8728 1 15 . 1 1 16 16 TRP N N 16 121.693 121.693 121.790 -0.097 18715 8729 1 15 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.177 -0.152 18715 8730 1 15 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.966 -0.680 18715 8731 1 15 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.341 1.772 18715 8732 1 15 . 1 1 16 16 TRP H H 16 8.646 8.646 8.591 0.055 18715 8733 1 15 . 1 1 17 17 GLU N N 17 127.710 127.710 116.358 11.352 18715 8734 1 15 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.377 0.314 18715 8735 1 15 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.812 -2.043 18715 8736 1 15 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.541 0.204 18715 8737 1 15 . 1 1 17 17 GLU H H 17 7.571 7.571 8.209 -0.638 18715 8738 1 15 . 1 1 18 18 LYS N N 18 115.790 115.790 119.527 -3.737 18715 8739 1 15 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.204 0.293 18715 8740 1 15 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.520 -1.951 18715 8741 1 15 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.098 0.841 18715 8742 1 15 . 1 1 18 18 LYS H H 18 7.456 7.456 7.260 0.196 18715 8743 1 15 . 1 1 19 19 ILE N N 19 124.228 124.228 119.645 4.583 18715 8744 1 15 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.033 -0.476 18715 8745 1 15 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.828 -0.708 18715 8746 1 15 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.717 0.465 18715 8747 1 15 . 1 1 19 19 ILE H H 19 7.633 7.633 8.290 -0.657 18715 8748 1 15 . 1 1 20 20 ARG N N 20 125.790 125.790 123.793 1.997 18715 8749 1 15 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.561 -0.133 18715 8750 1 15 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.522 1.973 18715 8751 1 15 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.577 -0.040 18715 8752 1 15 . 1 1 20 20 ARG H H 20 8.031 8.031 7.860 0.171 18715 8753 1 15 . 1 1 21 21 LEU N N 21 120.165 120.165 121.385 -1.220 18715 8754 1 15 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.853 -0.407 18715 8755 1 15 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.418 0.817 18715 8756 1 15 . 1 1 21 21 LEU CB C 21 41.535 41.535 41.863 -0.328 18715 8757 1 15 . 1 1 21 21 LEU H H 21 7.810 7.810 8.347 -0.537 18715 8758 1 15 . 1 1 22 22 ARG N N 22 119.540 119.540 114.765 4.775 18715 8759 1 15 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.668 0.177 18715 8760 1 15 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.248 -0.404 18715 8761 1 15 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.214 -0.597 18715 8762 1 15 . 1 1 22 22 ARG H H 22 8.974 8.974 7.482 1.492 18715 8763 1 15 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.567 -0.207 18715 8764 1 15 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.441 -1.005 18715 8765 1 15 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.303 -0.738 18715 8766 1 15 . 1 1 24 24 GLY N N 24 112.665 112.665 106.680 5.985 18715 8767 1 15 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.482 1.323 18715 8768 1 15 . 1 1 24 24 GLY H H 24 9.138 9.138 8.161 0.977 18715 8769 1 15 . 1 1 25 25 GLY N N 25 107.978 107.978 108.154 -0.176 18715 8770 1 15 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.575 -0.003 18715 8771 1 15 . 1 1 25 25 GLY H H 25 8.134 8.134 7.328 0.806 18715 8772 1 15 . 1 1 26 26 LYS N N 26 117.665 117.665 120.168 -2.503 18715 8773 1 15 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.474 -0.210 18715 8774 1 15 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.726 1.127 18715 8775 1 15 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.338 1.718 18715 8776 1 15 . 1 1 26 26 LYS H H 26 8.665 8.665 8.337 0.328 18715 8777 1 15 . 1 1 27 27 LYS N N 27 117.925 117.925 119.536 -1.611 18715 8778 1 15 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.537 -0.226 18715 8779 1 15 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.332 1.879 18715 8780 1 15 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.023 -1.145 18715 8781 1 15 . 1 1 27 27 LYS H H 27 7.817 7.817 7.624 0.193 18715 8782 1 15 . 1 1 28 28 GLN N N 28 122.978 122.978 119.335 3.643 18715 8783 1 15 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.435 0.381 18715 8784 1 15 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.361 0.112 18715 8785 1 15 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.078 3.976 18715 8786 1 15 . 1 1 28 28 GLN H H 28 8.458 8.458 8.320 0.138 18715 8787 1 15 . 1 1 29 29 TYR N N 29 119.540 119.540 119.016 0.524 18715 8788 1 15 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.572 -0.840 18715 8789 1 15 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.396 2.614 18715 8790 1 15 . 1 1 29 29 TYR CB C 29 37.216 37.216 40.004 -2.788 18715 8791 1 15 . 1 1 29 29 TYR H H 29 7.824 7.824 8.388 -0.564 18715 8792 1 15 . 1 1 30 30 LYS N N 30 117.978 117.978 120.534 -2.556 18715 8793 1 15 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.898 0.318 18715 8794 1 15 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.086 -1.021 18715 8795 1 15 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.990 2.598 18715 8796 1 15 . 1 1 30 30 LYS H H 30 10.610 10.610 9.263 1.347 18715 8797 1 15 . 1 1 31 31 LEU N N 31 128.602 128.602 125.128 3.474 18715 8798 1 15 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.134 0.047 18715 8799 1 15 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.019 1.215 18715 8800 1 15 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.637 -0.635 18715 8801 1 15 . 1 1 31 31 LEU H H 31 9.991 9.991 8.884 1.107 18715 8802 1 15 . 1 1 32 32 LYS N N 32 115.165 115.165 118.135 -2.970 18715 8803 1 15 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.949 0.196 18715 8804 1 15 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.282 -0.185 18715 8805 1 15 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.668 -0.109 18715 8806 1 15 . 1 1 32 32 LYS H H 32 8.399 8.399 8.646 -0.247 18715 8807 1 15 . 1 1 33 33 HIS N N 33 119.540 119.540 117.195 2.345 18715 8808 1 15 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.714 -0.110 18715 8809 1 15 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.628 3.263 18715 8810 1 15 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.539 2.245 18715 8811 1 15 . 1 1 33 33 HIS H H 33 8.193 8.193 8.051 0.142 18715 8812 1 15 . 1 1 34 34 ILE N N 34 119.540 119.540 121.156 -1.616 18715 8813 1 15 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.918 -0.124 18715 8814 1 15 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.928 -1.080 18715 8815 1 15 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.653 -0.674 18715 8816 1 15 . 1 1 34 34 ILE H H 34 7.898 7.898 7.536 0.362 18715 8817 1 15 . 1 1 35 35 VAL N N 35 122.040 122.040 118.892 3.148 18715 8818 1 15 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.741 -0.129 18715 8819 1 15 . 1 1 35 35 VAL CA C 35 66.746 66.746 67.215 -0.469 18715 8820 1 15 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.412 0.730 18715 8821 1 15 . 1 1 35 35 VAL H H 35 7.706 7.706 8.555 -0.849 18715 8822 1 15 . 1 1 36 36 TRP N N 36 119.986 119.986 122.404 -2.418 18715 8823 1 15 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.237 -0.004 18715 8824 1 15 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.938 0.172 18715 8825 1 15 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.358 -0.946 18715 8826 1 15 . 1 1 36 36 TRP H H 36 8.452 8.452 7.699 0.753 18715 8827 1 15 . 1 1 37 37 ALA N N 37 120.478 120.478 120.090 0.388 18715 8828 1 15 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.548 -0.158 18715 8829 1 15 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.142 -0.028 18715 8830 1 15 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.023 -0.593 18715 8831 1 15 . 1 1 37 37 ALA H H 37 8.311 8.311 8.171 0.140 18715 8832 1 15 . 1 1 38 38 SER N N 38 111.415 111.415 114.599 -3.184 18715 8833 1 15 . 1 1 38 38 SER HA H 38 3.906 3.906 4.035 -0.129 18715 8834 1 15 . 1 1 38 38 SER CA C 38 62.801 62.801 61.957 0.844 18715 8835 1 15 . 1 1 38 38 SER CB C 38 62.829 62.829 62.945 -0.116 18715 8836 1 15 . 1 1 38 38 SER H H 38 8.259 8.259 7.616 0.643 18715 8837 1 15 . 1 1 39 39 ARG N N 39 119.852 119.852 119.591 0.261 18715 8838 1 15 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.950 0.196 18715 8839 1 15 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.042 -0.632 18715 8840 1 15 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.942 0.066 18715 8841 1 15 . 1 1 39 39 ARG H H 39 7.559 7.559 7.506 0.053 18715 8842 1 15 . 1 1 40 40 GLU N N 40 121.102 121.102 117.973 3.129 18715 8843 1 15 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.944 -0.157 18715 8844 1 15 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.273 1.008 18715 8845 1 15 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.600 0.074 18715 8846 1 15 . 1 1 40 40 GLU H H 40 8.222 8.222 7.332 0.890 18715 8847 1 15 . 1 1 41 41 LEU N N 41 117.040 117.040 121.663 -4.623 18715 8848 1 15 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.065 -0.112 18715 8849 1 15 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.039 0.284 18715 8850 1 15 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.963 -1.783 18715 8851 1 15 . 1 1 41 41 LEU H H 41 8.016 8.016 8.027 -0.011 18715 8852 1 15 . 1 1 42 42 GLU N N 42 117.352 117.352 118.383 -1.031 18715 8853 1 15 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.116 0.011 18715 8854 1 15 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.429 0.142 18715 8855 1 15 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.150 0.515 18715 8856 1 15 . 1 1 42 42 GLU H H 42 7.559 7.559 7.785 -0.226 18715 8857 1 15 . 1 1 43 43 ARG N N 43 119.540 119.540 118.481 1.059 18715 8858 1 15 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.053 -0.011 18715 8859 1 15 . 1 1 43 43 ARG CA C 43 58.490 58.490 57.895 0.595 18715 8860 1 15 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.928 -0.263 18715 8861 1 15 . 1 1 43 43 ARG H H 43 7.647 7.647 7.673 -0.026 18715 8862 1 15 . 1 1 44 44 PHE N N 44 117.665 117.665 118.362 -0.697 18715 8863 1 15 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.631 -0.017 18715 8864 1 15 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.451 0.907 18715 8865 1 15 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.041 1.125 18715 8866 1 15 . 1 1 44 44 PHE H H 44 7.529 7.529 7.583 -0.054 18715 8867 1 15 . 1 1 45 45 ALA N N 45 118.915 118.915 119.529 -0.614 18715 8868 1 15 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.958 0.057 18715 8869 1 15 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.214 0.200 18715 8870 1 15 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.102 -0.823 18715 8871 1 15 . 1 1 45 45 ALA H H 45 7.928 7.928 7.688 0.240 18715 8872 1 15 . 1 1 46 46 VAL N N 46 119.540 119.540 119.422 0.118 18715 8873 1 15 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.242 -0.147 18715 8874 1 15 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.056 0.765 18715 8875 1 15 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.771 -0.405 18715 8876 1 15 . 1 1 46 46 VAL H H 46 7.765 7.765 7.764 0.001 18715 8877 1 15 . 1 1 47 47 ASN N N 47 125.790 125.790 126.247 -0.457 18715 8878 1 15 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.825 -0.179 18715 8879 1 15 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.376 -1.379 18715 8880 1 15 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.058 1.028 18715 8881 1 15 . 1 1 47 47 ASN H H 47 8.399 8.399 8.778 -0.379 18715 8882 1 15 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.367 -0.145 18715 8883 1 15 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.483 -0.169 18715 8884 1 15 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.856 -0.116 18715 8885 1 15 . 1 1 49 49 GLY N N 49 108.290 108.290 106.994 1.296 18715 8886 1 15 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.174 1.356 18715 8887 1 15 . 1 1 49 49 GLY H H 49 8.620 8.620 8.333 0.287 18715 8888 1 15 . 1 1 50 50 LEU N N 50 121.728 121.728 118.578 3.150 18715 8889 1 15 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.452 -0.306 18715 8890 1 15 . 1 1 50 50 LEU CA C 50 57.241 57.241 55.064 2.177 18715 8891 1 15 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.535 -0.972 18715 8892 1 15 . 1 1 50 50 LEU H H 50 7.765 7.765 7.308 0.457 18715 8893 1 15 . 1 1 51 51 LEU N N 51 112.040 112.040 119.674 -7.634 18715 8894 1 15 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.146 0.092 18715 8895 1 15 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.301 -0.794 18715 8896 1 15 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.858 0.632 18715 8897 1 15 . 1 1 51 51 LEU H H 51 7.412 7.412 7.502 -0.090 18715 8898 1 15 . 1 1 52 52 GLU N N 52 114.540 114.540 114.142 0.398 18715 8899 1 15 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.211 -0.156 18715 8900 1 15 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.748 1.636 18715 8901 1 15 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.455 1.603 18715 8902 1 15 . 1 1 52 52 GLU H H 52 7.500 7.500 8.608 -1.108 18715 8903 1 15 . 1 1 53 53 THR N N 53 122.978 122.978 111.717 11.261 18715 8904 1 15 . 1 1 53 53 THR HA H 53 4.402 4.402 4.450 -0.048 18715 8905 1 15 . 1 1 53 53 THR CA C 53 58.306 58.306 59.949 -1.643 18715 8906 1 15 . 1 1 53 53 THR CB C 53 73.222 73.222 71.967 1.255 18715 8907 1 15 . 1 1 53 53 THR H H 53 7.235 7.235 7.468 -0.233 18715 8908 1 15 . 1 1 54 54 SER N N 54 119.228 119.228 121.797 -2.569 18715 8909 1 15 . 1 1 54 54 SER HA H 54 4.043 4.043 4.230 -0.187 18715 8910 1 15 . 1 1 54 54 SER CA C 54 62.657 62.657 61.749 0.908 18715 8911 1 15 . 1 1 54 54 SER CB C 54 62.562 62.562 62.704 -0.142 18715 8912 1 15 . 1 1 54 54 SER H H 54 9.313 9.313 8.884 0.429 18715 8913 1 15 . 1 1 55 55 GLU N N 55 121.233 121.233 121.142 0.091 18715 8914 1 15 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.317 -0.248 18715 8915 1 15 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.919 0.756 18715 8916 1 15 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.462 -0.463 18715 8917 1 15 . 1 1 55 55 GLU H H 55 8.975 8.975 8.552 0.423 18715 8918 1 15 . 1 1 56 56 GLY N N 56 110.790 110.790 108.032 2.758 18715 8919 1 15 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.391 0.475 18715 8920 1 15 . 1 1 56 56 GLY H H 56 8.517 8.517 8.238 0.279 18715 8921 1 15 . 1 1 57 57 CYS N N 57 118.602 118.602 120.068 -1.466 18715 8922 1 15 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.056 -0.036 18715 8923 1 15 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.707 0.895 18715 8924 1 15 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.487 20.308 18715 8925 1 15 . 1 1 57 57 CYS H H 57 8.122 8.122 7.882 0.240 18715 8926 1 15 . 1 1 58 58 ARG N N 58 119.540 119.540 120.160 -0.620 18715 8927 1 15 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.637 -0.087 18715 8928 1 15 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.791 -0.084 18715 8929 1 15 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.876 -0.427 18715 8930 1 15 . 1 1 58 58 ARG H H 58 8.488 8.488 7.593 0.895 18715 8931 1 15 . 1 1 59 59 GLN N N 59 119.852 119.852 118.382 1.470 18715 8932 1 15 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.102 -0.050 18715 8933 1 15 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.539 0.861 18715 8934 1 15 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.503 -0.269 18715 8935 1 15 . 1 1 59 59 GLN H H 59 8.016 8.016 7.668 0.348 18715 8936 1 15 . 1 1 60 60 ILE N N 60 120.790 120.790 120.164 0.626 18715 8937 1 15 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.692 -0.081 18715 8938 1 15 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.298 0.292 18715 8939 1 15 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.929 -0.079 18715 8940 1 15 . 1 1 60 60 ILE H H 60 8.163 8.163 7.790 0.373 18715 8941 1 15 . 1 1 61 61 LEU N N 61 118.915 118.915 120.173 -1.258 18715 8942 1 15 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.065 -0.170 18715 8943 1 15 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.744 0.910 18715 8944 1 15 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.480 -0.704 18715 8945 1 15 . 1 1 61 61 LEU H H 61 8.370 8.370 8.609 -0.239 18715 8946 1 15 . 1 1 62 62 GLY N N 62 104.332 104.332 107.245 -2.913 18715 8947 1 15 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.134 0.050 18715 8948 1 15 . 1 1 62 62 GLY H H 62 7.883 7.883 8.405 -0.522 18715 8949 1 15 . 1 1 63 63 GLN N N 63 119.852 119.852 118.494 1.358 18715 8950 1 15 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.293 -0.141 18715 8951 1 15 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.424 0.570 18715 8952 1 15 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.923 0.276 18715 8953 1 15 . 1 1 63 63 GLN H H 63 7.795 7.795 7.608 0.187 18715 8954 1 15 . 1 1 64 64 LEU N N 64 117.040 117.040 120.276 -3.236 18715 8955 1 15 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.041 0.240 18715 8956 1 15 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.780 -0.679 18715 8957 1 15 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.815 2.428 18715 8958 1 15 . 1 1 64 64 LEU H H 64 8.252 8.252 7.285 0.967 18715 8959 1 15 . 1 1 65 65 GLN N N 65 118.915 118.915 119.934 -1.019 18715 8960 1 15 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.885 -0.106 18715 8961 1 15 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.931 0.616 18715 8962 1 15 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.886 -1.022 18715 8963 1 15 . 1 1 65 65 GLN H H 65 8.104 8.104 8.538 -0.434 18715 8964 1 15 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.315 0.068 18715 8965 1 15 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.799 1.118 18715 8966 1 15 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.227 -0.128 18715 8967 1 15 . 1 1 67 67 SER N N 67 111.415 111.415 112.894 -1.479 18715 8968 1 15 . 1 1 67 67 SER HA H 67 4.493 4.493 4.339 0.154 18715 8969 1 15 . 1 1 67 67 SER CA C 67 59.696 59.696 60.091 -0.395 18715 8970 1 15 . 1 1 67 67 SER CB C 67 64.031 64.031 63.231 0.800 18715 8971 1 15 . 1 1 67 67 SER H H 67 7.824 7.824 7.456 0.368 18715 8972 1 15 . 1 1 68 68 LEU N N 68 121.102 121.102 121.576 -0.474 18715 8973 1 15 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.808 0.008 18715 8974 1 15 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.967 -0.019 18715 8975 1 15 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.288 0.482 18715 8976 1 15 . 1 1 68 68 LEU H H 68 7.647 7.647 8.059 -0.412 18715 8977 1 15 . 1 1 69 69 GLN N N 69 116.415 116.415 119.367 -2.952 18715 8978 1 15 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.070 -0.001 18715 8979 1 15 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.319 0.151 18715 8980 1 15 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.021 -0.593 18715 8981 1 15 . 1 1 69 69 GLN H H 69 8.060 8.060 8.333 -0.273 18715 8982 1 15 . 1 1 70 70 THR N N 70 106.728 106.728 108.215 -1.487 18715 8983 1 15 . 1 1 70 70 THR HA H 70 4.481 4.481 4.639 -0.158 18715 8984 1 15 . 1 1 70 70 THR CA C 70 61.291 61.291 60.957 0.334 18715 8985 1 15 . 1 1 70 70 THR CB C 70 69.415 69.415 69.317 0.098 18715 8986 1 15 . 1 1 70 70 THR H H 70 7.515 7.515 7.621 -0.106 18715 8987 1 15 . 1 1 71 71 GLY N N 71 109.540 109.540 110.501 -0.961 18715 8988 1 15 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.472 1.081 18715 8989 1 15 . 1 1 71 71 GLY H H 71 7.692 7.692 7.515 0.177 18715 8990 1 15 . 1 1 72 72 SER N N 72 114.540 114.540 115.164 -0.624 18715 8991 1 15 . 1 1 72 72 SER HA H 72 4.625 4.625 4.735 -0.110 18715 8992 1 15 . 1 1 72 72 SER CA C 72 57.319 57.319 56.891 0.428 18715 8993 1 15 . 1 1 72 72 SER CB C 72 64.599 64.599 65.058 -0.459 18715 8994 1 15 . 1 1 72 72 SER H H 72 8.045 8.045 7.988 0.057 18715 8995 1 15 . 1 1 73 73 GLU N N 73 124.228 124.228 120.902 3.326 18715 8996 1 15 . 1 1 73 73 GLU HA H 73 4.087 4.087 3.981 0.106 18715 8997 1 15 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.133 -0.752 18715 8998 1 15 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.551 -0.249 18715 8999 1 15 . 1 1 73 73 GLU H H 73 9.092 9.092 8.894 0.198 18715 9000 1 15 . 1 1 74 74 GLU N N 74 120.165 120.165 119.284 0.881 18715 9001 1 15 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.344 -0.055 18715 9002 1 15 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.232 0.996 18715 9003 1 15 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.761 -0.299 18715 9004 1 15 . 1 1 74 74 GLU H H 74 8.665 8.665 7.802 0.863 18715 9005 1 15 . 1 1 75 75 LEU N N 75 121.415 121.415 120.569 0.846 18715 9006 1 15 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.061 0.100 18715 9007 1 15 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.287 -0.334 18715 9008 1 15 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.017 -0.749 18715 9009 1 15 . 1 1 75 75 LEU H H 75 7.765 7.765 7.659 0.106 18715 9010 1 15 . 1 1 76 76 ARG N N 76 119.228 119.228 119.143 0.085 18715 9011 1 15 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.987 -0.054 18715 9012 1 15 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.120 -0.438 18715 9013 1 15 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.186 -0.989 18715 9014 1 15 . 1 1 76 76 ARG H H 76 7.868 7.868 8.424 -0.556 18715 9015 1 15 . 1 1 77 77 SER N N 77 114.228 114.228 116.005 -1.777 18715 9016 1 15 . 1 1 77 77 SER HA H 77 4.263 4.263 4.200 0.063 18715 9017 1 15 . 1 1 77 77 SER CA C 77 62.668 62.668 62.690 -0.022 18715 9018 1 15 . 1 1 77 77 SER CB C 77 62.849 62.849 62.893 -0.044 18715 9019 1 15 . 1 1 77 77 SER H H 77 8.576 8.576 8.362 0.214 18715 9020 1 15 . 1 1 78 78 LEU N N 78 125.790 125.790 123.158 2.632 18715 9021 1 15 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.272 0.149 18715 9022 1 15 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.257 0.705 18715 9023 1 15 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.306 0.737 18715 9024 1 15 . 1 1 78 78 LEU H H 78 8.458 8.458 8.406 0.052 18715 9025 1 15 . 1 1 79 79 TYR N N 79 119.852 119.852 119.230 0.622 18715 9026 1 15 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.087 -0.426 18715 9027 1 15 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.771 1.031 18715 9028 1 15 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.314 0.880 18715 9029 1 15 . 1 1 79 79 TYR H H 79 8.694 8.694 8.201 0.493 18715 9030 1 15 . 1 1 80 80 ASN N N 80 117.040 117.040 117.558 -0.518 18715 9031 1 15 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.489 -0.205 18715 9032 1 15 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.444 -0.657 18715 9033 1 15 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.352 -0.513 18715 9034 1 15 . 1 1 80 80 ASN H H 80 8.871 8.871 7.961 0.910 18715 9035 1 15 . 1 1 81 81 THR N N 81 115.790 115.790 117.855 -2.065 18715 9036 1 15 . 1 1 81 81 THR HA H 81 3.945 3.945 4.150 -0.205 18715 9037 1 15 . 1 1 81 81 THR CA C 81 67.855 67.855 67.173 0.682 18715 9038 1 15 . 1 1 81 81 THR CB C 81 69.140 69.140 68.839 0.301 18715 9039 1 15 . 1 1 81 81 THR H H 81 8.119 8.119 8.259 -0.140 18715 9040 1 15 . 1 1 82 82 ILE N N 82 121.102 121.102 120.932 0.170 18715 9041 1 15 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.791 -0.123 18715 9042 1 15 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.399 -0.879 18715 9043 1 15 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.173 -0.687 18715 9044 1 15 . 1 1 82 82 ILE H H 82 8.090 8.090 8.790 -0.700 18715 9045 1 15 . 1 1 83 83 ALA N N 83 125.165 125.165 123.308 1.857 18715 9046 1 15 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.923 -0.032 18715 9047 1 15 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.270 0.585 18715 9048 1 15 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.991 -0.143 18715 9049 1 15 . 1 1 83 83 ALA H H 83 8.782 8.782 7.374 1.408 18715 9050 1 15 . 1 1 84 84 VAL N N 84 117.665 117.665 118.728 -1.063 18715 9051 1 15 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.606 -0.278 18715 9052 1 15 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.424 1.041 18715 9053 1 15 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.557 0.138 18715 9054 1 15 . 1 1 84 84 VAL H H 84 7.795 7.795 7.631 0.164 18715 9055 1 15 . 1 1 85 85 LEU N N 85 122.040 122.040 120.937 1.103 18715 9056 1 15 . 1 1 85 85 LEU HA H 85 3.815 3.815 4.024 -0.209 18715 9057 1 15 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.422 -0.112 18715 9058 1 15 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.937 0.211 18715 9059 1 15 . 1 1 85 85 LEU H H 85 8.163 8.163 8.094 0.069 18715 9060 1 15 . 1 1 86 86 TYR N N 86 118.915 118.915 120.228 -1.313 18715 9061 1 15 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.003 -0.091 18715 9062 1 15 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.583 1.235 18715 9063 1 15 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.127 0.160 18715 9064 1 15 . 1 1 86 86 TYR H H 86 9.062 9.062 8.473 0.589 18715 9065 1 15 . 1 1 87 87 CYS N N 87 116.102 116.102 116.569 -0.467 18715 9066 1 15 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.861 -0.067 18715 9067 1 15 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.626 2.340 18715 9068 1 15 . 1 1 87 87 CYS CB C 87 46.557 46.557 25.863 20.694 18715 9069 1 15 . 1 1 87 87 CYS H H 87 7.515 7.515 8.675 -1.160 18715 9070 1 15 . 1 1 88 88 VAL N N 88 119.978 119.978 120.045 -0.067 18715 9071 1 15 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.735 0.143 18715 9072 1 15 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.485 -0.039 18715 9073 1 15 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.425 0.070 18715 9074 1 15 . 1 1 88 88 VAL H H 88 8.448 8.448 7.275 1.173 18715 9075 1 15 . 1 1 89 89 HIS N N 89 118.915 118.915 115.640 3.275 18715 9076 1 15 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.482 0.393 18715 9077 1 15 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.822 0.298 18715 9078 1 15 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.178 -0.095 18715 9079 1 15 . 1 1 89 89 HIS H H 89 8.797 8.797 7.317 1.480 18715 9080 1 15 . 1 1 90 90 GLN N N 90 116.728 116.728 117.652 -0.924 18715 9081 1 15 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.287 0.098 18715 9082 1 15 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.297 0.992 18715 9083 1 15 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.213 2.739 18715 9084 1 15 . 1 1 90 90 GLN H H 90 7.986 7.986 7.446 0.540 18715 9085 1 15 . 1 1 91 91 ARG N N 91 115.165 115.165 114.917 0.248 18715 9086 1 15 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.885 0.128 18715 9087 1 15 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.098 0.085 18715 9088 1 15 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.010 -0.961 18715 9089 1 15 . 1 1 91 91 ARG H H 91 7.883 7.883 7.611 0.272 18715 9090 1 15 . 1 1 92 92 ILE N N 92 120.087 120.087 119.755 0.332 18715 9091 1 15 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.109 -0.124 18715 9092 1 15 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.934 -0.278 18715 9093 1 15 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.843 0.087 18715 9094 1 15 . 1 1 92 92 ILE H H 92 8.335 8.335 8.046 0.289 18715 9095 1 15 . 1 1 93 93 ASP N N 93 129.228 129.228 126.916 2.312 18715 9096 1 15 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.795 -0.310 18715 9097 1 15 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.255 1.788 18715 9098 1 15 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.666 -1.270 18715 9099 1 15 . 1 1 93 93 ASP H H 93 8.620 8.620 8.498 0.122 18715 9100 1 15 . 1 1 94 94 VAL N N 94 115.790 115.790 119.700 -3.910 18715 9101 1 15 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.513 0.120 18715 9102 1 15 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.374 -0.254 18715 9103 1 15 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.798 0.714 18715 9104 1 15 . 1 1 94 94 VAL H H 94 7.751 7.751 8.140 -0.389 18715 9105 1 15 . 1 1 95 95 LYS N N 95 118.915 118.915 120.788 -1.873 18715 9106 1 15 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.251 0.142 18715 9107 1 15 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.841 -1.170 18715 9108 1 15 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.230 0.778 18715 9109 1 15 . 1 1 95 95 LYS H H 95 9.239 9.239 8.642 0.597 18715 9110 1 15 . 1 1 96 96 ASP N N 96 112.040 112.040 112.892 -0.852 18715 9111 1 15 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.302 0.260 18715 9112 1 15 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.548 0.281 18715 9113 1 15 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.172 1.432 18715 9114 1 15 . 1 1 96 96 ASP H H 96 7.412 7.412 7.623 -0.211 18715 9115 1 15 . 1 1 97 97 THR N N 97 109.540 109.540 114.560 -5.020 18715 9116 1 15 . 1 1 97 97 THR HA H 97 3.661 3.661 4.031 -0.370 18715 9117 1 15 . 1 1 97 97 THR CA C 97 65.947 65.947 65.755 0.192 18715 9118 1 15 . 1 1 97 97 THR CB C 97 70.285 70.285 68.848 1.437 18715 9119 1 15 . 1 1 97 97 THR H H 97 7.250 7.250 8.267 -1.017 18715 9120 1 15 . 1 1 98 98 LYS N N 98 121.102 121.102 123.443 -2.341 18715 9121 1 15 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.908 0.037 18715 9122 1 15 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.203 -0.575 18715 9123 1 15 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.093 -0.166 18715 9124 1 15 . 1 1 98 98 LYS H H 98 7.868 7.868 8.281 -0.413 18715 9125 1 15 . 1 1 99 99 GLU N N 99 119.228 119.228 118.614 0.614 18715 9126 1 15 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.019 0.058 18715 9127 1 15 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.139 0.656 18715 9128 1 15 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.517 0.729 18715 9129 1 15 . 1 1 99 99 GLU H H 99 8.384 8.384 8.722 -0.338 18715 9130 1 15 . 1 1 100 100 ALA N N 100 118.915 118.915 121.304 -2.389 18715 9131 1 15 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.190 0.196 18715 9132 1 15 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.778 0.618 18715 9133 1 15 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.678 1.081 18715 9134 1 15 . 1 1 100 100 ALA H H 100 7.382 7.382 7.496 -0.114 18715 9135 1 15 . 1 1 101 101 LEU N N 101 117.978 117.978 118.107 -0.129 18715 9136 1 15 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.998 0.022 18715 9137 1 15 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.622 0.353 18715 9138 1 15 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.906 -0.413 18715 9139 1 15 . 1 1 101 101 LEU H H 101 8.119 8.119 7.578 0.541 18715 9140 1 15 . 1 1 102 102 ASP N N 102 120.478 120.478 120.438 0.040 18715 9141 1 15 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.428 -0.061 18715 9142 1 15 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.703 -0.350 18715 9143 1 15 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.730 -1.008 18715 9144 1 15 . 1 1 102 102 ASP H H 102 8.679 8.679 8.092 0.587 18715 9145 1 15 . 1 1 103 103 LYS N N 103 120.165 120.165 118.677 1.488 18715 9146 1 15 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.113 0.051 18715 9147 1 15 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.453 -1.089 18715 9148 1 15 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.426 -0.894 18715 9149 1 15 . 1 1 103 103 LYS H H 103 8.207 8.207 7.871 0.336 18715 9150 1 15 . 1 1 104 104 ILE N N 104 119.852 119.852 119.393 0.459 18715 9151 1 15 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.828 -0.018 18715 9152 1 15 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.099 -0.491 18715 9153 1 15 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.981 -0.547 18715 9154 1 15 . 1 1 104 104 ILE H H 104 8.163 8.163 7.480 0.683 18715 9155 1 15 . 1 1 105 105 GLU N N 105 121.415 121.415 121.084 0.331 18715 9156 1 15 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.883 0.152 18715 9157 1 15 . 1 1 105 105 GLU CA C 105 59.634 59.634 60.042 -0.408 18715 9158 1 15 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.515 3.241 18715 9159 1 15 . 1 1 105 105 GLU H H 105 8.001 8.001 8.136 -0.135 18715 9160 1 15 . 1 1 106 106 GLU N N 106 119.228 119.228 119.179 0.049 18715 9161 1 15 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.004 0.086 18715 9162 1 15 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.567 -0.300 18715 9163 1 15 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.684 -0.087 18715 9164 1 15 . 1 1 106 106 GLU H H 106 8.031 8.031 8.166 -0.135 18715 9165 1 15 . 1 1 107 107 GLU N N 107 118.915 118.915 119.273 -0.358 18715 9166 1 15 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.024 0.049 18715 9167 1 15 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.156 0.186 18715 9168 1 15 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.608 0.262 18715 9169 1 15 . 1 1 107 107 GLU H H 107 8.016 8.016 7.778 0.238 18715 9170 1 15 . 1 1 108 108 GLN N N 108 118.290 118.290 118.362 -0.072 18715 9171 1 15 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.097 0.050 18715 9172 1 15 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.874 -0.467 18715 9173 1 15 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.890 -0.045 18715 9174 1 15 . 1 1 108 108 GLN H H 108 8.252 8.252 7.756 0.496 18715 9175 1 15 . 1 1 109 109 ASN N N 109 118.290 118.290 119.320 -1.030 18715 9176 1 15 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.446 0.171 18715 9177 1 15 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.327 -1.445 18715 9178 1 15 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.540 -0.015 18715 9179 1 15 . 1 1 109 109 ASN H H 109 8.252 8.252 8.054 0.198 18715 9180 1 15 . 1 1 110 110 LYS N N 110 120.478 120.478 118.706 1.772 18715 9181 1 15 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.989 0.241 18715 9182 1 15 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.423 -1.112 18715 9183 1 15 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.234 0.457 18715 9184 1 15 . 1 1 110 110 LYS H H 110 8.031 8.031 8.349 -0.318 18715 9185 1 15 . 1 1 111 111 SER N N 111 114.540 114.540 114.813 -0.273 18715 9186 1 15 . 1 1 111 111 SER HA H 111 4.368 4.368 4.303 0.065 18715 9187 1 15 . 1 1 111 111 SER CA C 111 59.764 59.764 61.117 -1.353 18715 9188 1 15 . 1 1 111 111 SER CB C 111 63.442 63.442 63.125 0.317 18715 9189 1 15 . 1 1 111 111 SER H H 111 8.031 8.031 7.620 0.411 18715 9190 1 15 . 1 1 112 112 LYS N N 112 122.040 122.040 122.000 0.040 18715 9191 1 15 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.024 0.221 18715 9192 1 15 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.328 -2.000 18715 9193 1 15 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.473 0.302 18715 9194 1 15 . 1 1 112 112 LYS H H 112 7.957 7.957 7.630 0.327 18715 9195 1 15 . 1 1 113 113 LYS N N 113 120.790 120.790 118.718 2.072 18715 9196 1 15 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.233 -0.083 18715 9197 1 15 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.963 0.171 18715 9198 1 15 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.182 0.584 18715 9199 1 15 . 1 1 113 113 LYS H H 113 8.016 8.016 7.942 0.074 18715 9200 1 15 . 1 1 114 114 LYS N N 114 121.728 121.728 117.705 4.023 18715 9201 1 15 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.173 0.090 18715 9202 1 15 . 1 1 114 114 LYS CA C 114 57.185 57.185 57.829 -0.644 18715 9203 1 15 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.546 0.311 18715 9204 1 15 . 1 1 114 114 LYS H H 114 8.119 8.119 7.494 0.625 18715 9205 1 15 . 1 1 115 115 ALA N N 115 124.228 124.228 120.696 3.532 18715 9206 1 15 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.558 -0.290 18715 9207 1 15 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.710 1.325 18715 9208 1 15 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.840 0.198 18715 9209 1 15 . 1 1 115 115 ALA H H 115 8.178 8.178 7.303 0.876 18715 9210 1 15 . 1 1 116 116 GLN N N 116 119.228 119.228 117.952 1.276 18715 9211 1 15 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.336 -0.088 18715 9212 1 15 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.590 -0.041 18715 9213 1 15 . 1 1 116 116 GLN H H 116 8.237 8.237 7.755 0.482 18715 9214 1 15 . 1 1 117 117 GLN N N 117 120.478 120.478 119.218 1.260 18715 9215 1 15 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.221 0.048 18715 9216 1 15 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.355 -1.031 18715 9217 1 15 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.266 1.340 18715 9218 1 15 . 1 1 117 117 GLN H H 117 8.266 8.266 8.194 0.072 18715 9219 1 15 . 1 1 118 118 ALA N N 118 124.852 124.852 121.928 2.924 18715 9220 1 15 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.315 -0.039 18715 9221 1 15 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.637 -0.800 18715 9222 1 15 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.721 0.341 18715 9223 1 15 . 1 1 118 118 ALA H H 118 8.266 8.266 8.097 0.169 18715 9224 1 15 . 1 1 119 119 ALA N N 119 122.978 122.978 119.510 3.468 18715 9225 1 15 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.335 -0.041 18715 9226 1 15 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.781 0.856 18715 9227 1 15 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.134 2.067 18715 9228 1 15 . 1 1 119 119 ALA H H 119 8.163 8.163 8.213 -0.050 18715 9229 1 15 . 1 1 120 120 ALA N N 120 122.665 122.665 125.808 -3.143 18715 9230 1 15 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.242 0.035 18715 9231 1 15 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.687 -0.951 18715 9232 1 15 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.289 -0.122 18715 9233 1 15 . 1 1 120 120 ALA H H 120 8.163 8.163 7.802 0.361 18715 9234 1 15 . 1 1 121 121 ASP N N 121 119.228 119.228 119.921 -0.693 18715 9235 1 15 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.400 0.282 18715 9236 1 15 . 1 1 121 121 ASP CA C 121 54.264 54.264 56.278 -2.014 18715 9237 1 15 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.077 0.051 18715 9238 1 15 . 1 1 121 121 ASP H H 121 8.252 8.252 8.586 -0.334 18715 9239 1 15 . 1 1 122 122 THR N N 122 113.602 113.602 113.099 0.503 18715 9240 1 15 . 1 1 122 122 THR HA H 122 4.358 4.358 4.408 -0.050 18715 9241 1 15 . 1 1 122 122 THR CA C 122 61.971 61.971 61.870 0.101 18715 9242 1 15 . 1 1 122 122 THR CB C 122 69.586 69.586 69.091 0.495 18715 9243 1 15 . 1 1 122 122 THR H H 122 8.075 8.075 7.802 0.273 18715 9244 1 15 . 1 1 123 123 GLY N N 123 110.478 110.478 113.755 -3.277 18715 9245 1 15 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.828 0.775 18715 9246 1 15 . 1 1 123 123 GLY H H 123 8.414 8.414 8.514 -0.100 18715 9247 1 15 . 1 1 124 124 ASN N N 124 118.602 118.602 117.662 0.940 18715 9248 1 15 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.820 -0.212 18715 9249 1 15 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.215 2.518 18715 9250 1 15 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.305 -1.767 18715 9251 1 15 . 1 1 124 124 ASN H H 124 8.266 8.266 8.403 -0.137 18715 9252 1 15 . 1 1 125 125 ASN N N 125 119.228 119.228 118.882 0.346 18715 9253 1 15 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.749 -0.025 18715 9254 1 15 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.300 0.153 18715 9255 1 15 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.931 -0.118 18715 9256 1 15 . 1 1 125 125 ASN H H 125 8.443 8.443 8.339 0.104 18715 9257 1 15 . 1 1 126 126 SER N N 126 115.790 115.790 115.822 -0.032 18715 9258 1 15 . 1 1 126 126 SER HA H 126 4.388 4.388 4.364 0.024 18715 9259 1 15 . 1 1 126 126 SER CA C 126 58.851 58.851 58.729 0.122 18715 9260 1 15 . 1 1 126 126 SER CB C 126 63.926 63.926 63.634 0.292 18715 9261 1 15 . 1 1 126 126 SER H H 126 8.266 8.266 8.447 -0.181 18715 9262 1 15 . 1 1 127 127 GLN N N 127 121.728 121.728 123.054 -1.326 18715 9263 1 15 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.481 -0.158 18715 9264 1 15 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.560 0.663 18715 9265 1 15 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.764 -1.596 18715 9266 1 15 . 1 1 127 127 GLN H H 127 8.355 8.355 8.210 0.145 18715 9267 1 15 . 1 1 128 128 VAL N N 128 119.852 119.852 120.998 -1.146 18715 9268 1 15 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.520 -0.411 18715 9269 1 15 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.779 0.886 18715 9270 1 15 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.734 0.035 18715 9271 1 15 . 1 1 128 128 VAL H H 128 7.986 7.986 8.408 -0.422 18715 9272 1 15 . 1 1 129 129 SER N N 129 117.978 117.978 119.504 -1.526 18715 9273 1 15 . 1 1 129 129 SER HA H 129 4.136 4.136 4.420 -0.284 18715 9274 1 15 . 1 1 129 129 SER CA C 129 58.404 58.404 58.792 -0.388 18715 9275 1 15 . 1 1 129 129 SER CB C 129 63.755 63.755 64.290 -0.535 18715 9276 1 15 . 1 1 129 129 SER H H 129 8.252 8.252 8.313 -0.061 18715 9277 1 15 . 1 1 130 130 GLN N N 130 121.728 121.728 122.762 -1.034 18715 9278 1 15 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.388 -0.033 18715 9279 1 15 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.949 0.201 18715 9280 1 15 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.482 -0.109 18715 9281 1 15 . 1 1 130 130 GLN H H 130 8.355 8.355 8.462 -0.107 18715 9282 1 15 . 1 1 131 131 ASN N N 131 118.290 118.290 119.776 -1.486 18715 9283 1 15 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.848 -0.216 18715 9284 1 15 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.768 0.800 18715 9285 1 15 . 1 1 131 131 ASN H H 131 8.252 8.252 8.706 -0.454 18715 9286 1 16 . 1 1 3 3 ALA N N 3 123.842 123.842 125.298 -1.456 18715 9287 1 16 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.300 0.028 18715 9288 1 16 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.064 0.473 18715 9289 1 16 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.408 -2.157 18715 9290 1 16 . 1 1 3 3 ALA H H 3 8.183 8.183 8.266 -0.083 18715 9291 1 16 . 1 1 4 4 ARG N N 4 120.165 120.165 116.961 3.204 18715 9292 1 16 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.054 0.202 18715 9293 1 16 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.419 -0.454 18715 9294 1 16 . 1 1 4 4 ARG CB C 4 30.961 30.961 28.554 2.407 18715 9295 1 16 . 1 1 4 4 ARG H H 4 8.429 8.429 8.309 0.120 18715 9296 1 16 . 1 1 5 5 ALA N N 5 125.165 125.165 125.050 0.115 18715 9297 1 16 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.540 -0.258 18715 9298 1 16 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.447 0.924 18715 9299 1 16 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.647 1.025 18715 9300 1 16 . 1 1 5 5 ALA H H 5 8.370 8.370 8.042 0.328 18715 9301 1 16 . 1 1 6 6 SER N N 6 114.540 114.540 118.064 -3.524 18715 9302 1 16 . 1 1 6 6 SER HA H 6 4.479 4.479 4.412 0.067 18715 9303 1 16 . 1 1 6 6 SER CA C 6 57.804 57.804 58.154 -0.350 18715 9304 1 16 . 1 1 6 6 SER CB C 6 64.034 64.034 64.183 -0.149 18715 9305 1 16 . 1 1 6 6 SER H H 6 8.134 8.134 8.206 -0.072 18715 9306 1 16 . 1 1 7 7 VAL N N 7 121.415 121.415 122.550 -1.135 18715 9307 1 16 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.202 -0.585 18715 9308 1 16 . 1 1 7 7 VAL CA C 7 65.711 65.711 62.620 3.091 18715 9309 1 16 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.220 -0.284 18715 9310 1 16 . 1 1 7 7 VAL H H 7 8.119 8.119 8.134 -0.015 18715 9311 1 16 . 1 1 8 8 LEU N N 8 115.478 115.478 120.007 -4.529 18715 9312 1 16 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.686 0.246 18715 9313 1 16 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.531 -1.024 18715 9314 1 16 . 1 1 8 8 LEU CB C 8 44.303 44.303 42.785 1.518 18715 9315 1 16 . 1 1 8 8 LEU H H 8 7.382 7.382 7.592 -0.210 18715 9316 1 16 . 1 1 9 9 SER N N 9 118.290 118.290 119.828 -1.538 18715 9317 1 16 . 1 1 9 9 SER HA H 9 4.606 4.606 4.486 0.120 18715 9318 1 16 . 1 1 9 9 SER CA C 9 57.197 57.197 57.879 -0.682 18715 9319 1 16 . 1 1 9 9 SER CB C 9 65.426 65.426 65.203 0.223 18715 9320 1 16 . 1 1 9 9 SER H H 9 9.166 9.166 8.872 0.294 18715 9321 1 16 . 1 1 10 10 GLY N N 10 109.228 109.228 108.583 0.645 18715 9322 1 16 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.999 0.675 18715 9323 1 16 . 1 1 10 10 GLY H H 10 8.959 8.959 8.650 0.309 18715 9324 1 16 . 1 1 11 11 GLY N N 11 111.102 111.102 109.796 1.306 18715 9325 1 16 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.477 0.184 18715 9326 1 16 . 1 1 11 11 GLY H H 11 8.782 8.782 7.811 0.971 18715 9327 1 16 . 1 1 12 12 GLU N N 12 120.165 120.165 121.941 -1.776 18715 9328 1 16 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.066 -0.116 18715 9329 1 16 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.513 0.584 18715 9330 1 16 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.458 1.832 18715 9331 1 16 . 1 1 12 12 GLU H H 12 7.751 7.751 7.594 0.157 18715 9332 1 16 . 1 1 13 13 LEU N N 13 121.415 121.415 121.848 -0.433 18715 9333 1 16 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.072 0.036 18715 9334 1 16 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.244 -0.182 18715 9335 1 16 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.876 -0.940 18715 9336 1 16 . 1 1 13 13 LEU H H 13 8.340 8.340 8.287 0.053 18715 9337 1 16 . 1 1 14 14 ASP N N 14 116.415 116.415 119.629 -3.214 18715 9338 1 16 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.341 0.052 18715 9339 1 16 . 1 1 14 14 ASP CA C 14 57.136 57.136 58.238 -1.102 18715 9340 1 16 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.522 0.564 18715 9341 1 16 . 1 1 14 14 ASP H H 14 7.574 7.574 7.913 -0.339 18715 9342 1 16 . 1 1 15 15 LYS N N 15 115.478 115.478 119.837 -4.359 18715 9343 1 16 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.139 -0.093 18715 9344 1 16 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.014 -0.612 18715 9345 1 16 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.142 0.217 18715 9346 1 16 . 1 1 15 15 LYS H H 15 7.117 7.117 7.583 -0.466 18715 9347 1 16 . 1 1 16 16 TRP N N 16 121.693 121.693 121.233 0.460 18715 9348 1 16 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.137 -0.112 18715 9349 1 16 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.724 -0.438 18715 9350 1 16 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.498 1.615 18715 9351 1 16 . 1 1 16 16 TRP H H 16 8.646 8.646 8.319 0.327 18715 9352 1 16 . 1 1 17 17 GLU N N 17 127.710 127.710 116.344 11.366 18715 9353 1 16 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.368 0.323 18715 9354 1 16 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.769 -2.000 18715 9355 1 16 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.465 0.280 18715 9356 1 16 . 1 1 17 17 GLU H H 17 7.571 7.571 8.192 -0.621 18715 9357 1 16 . 1 1 18 18 LYS N N 18 115.790 115.790 118.919 -3.129 18715 9358 1 16 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.419 0.078 18715 9359 1 16 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.793 -2.224 18715 9360 1 16 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.193 0.746 18715 9361 1 16 . 1 1 18 18 LYS H H 18 7.456 7.456 7.294 0.162 18715 9362 1 16 . 1 1 19 19 ILE N N 19 124.228 124.228 120.409 3.819 18715 9363 1 16 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.980 -0.423 18715 9364 1 16 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.618 -0.498 18715 9365 1 16 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.712 0.470 18715 9366 1 16 . 1 1 19 19 ILE H H 19 7.633 7.633 8.073 -0.440 18715 9367 1 16 . 1 1 20 20 ARG N N 20 125.790 125.790 123.648 2.142 18715 9368 1 16 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.490 -0.062 18715 9369 1 16 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.577 1.919 18715 9370 1 16 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.813 -0.276 18715 9371 1 16 . 1 1 20 20 ARG H H 20 8.031 8.031 8.657 -0.626 18715 9372 1 16 . 1 1 21 21 LEU N N 21 120.165 120.165 120.684 -0.519 18715 9373 1 16 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.855 -0.409 18715 9374 1 16 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.602 0.633 18715 9375 1 16 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.056 -0.520 18715 9376 1 16 . 1 1 21 21 LEU H H 21 7.810 7.810 7.970 -0.160 18715 9377 1 16 . 1 1 22 22 ARG N N 22 119.540 119.540 115.192 4.348 18715 9378 1 16 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.631 0.214 18715 9379 1 16 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.628 -0.784 18715 9380 1 16 . 1 1 22 22 ARG CB C 22 31.617 31.617 31.308 0.309 18715 9381 1 16 . 1 1 22 22 ARG H H 22 8.974 8.974 7.692 1.282 18715 9382 1 16 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.559 -0.199 18715 9383 1 16 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.170 -0.734 18715 9384 1 16 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.270 -0.705 18715 9385 1 16 . 1 1 24 24 GLY N N 24 112.665 112.665 107.991 4.674 18715 9386 1 16 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.652 1.153 18715 9387 1 16 . 1 1 24 24 GLY H H 24 9.138 9.138 8.293 0.845 18715 9388 1 16 . 1 1 25 25 GLY N N 25 107.978 107.978 108.186 -0.208 18715 9389 1 16 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.586 -0.014 18715 9390 1 16 . 1 1 25 25 GLY H H 25 8.134 8.134 7.390 0.744 18715 9391 1 16 . 1 1 26 26 LYS N N 26 117.665 117.665 119.403 -1.738 18715 9392 1 16 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.512 -0.248 18715 9393 1 16 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.361 0.492 18715 9394 1 16 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.365 1.691 18715 9395 1 16 . 1 1 26 26 LYS H H 26 8.665 8.665 8.326 0.339 18715 9396 1 16 . 1 1 27 27 LYS N N 27 117.925 117.925 119.475 -1.550 18715 9397 1 16 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.533 -0.222 18715 9398 1 16 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.439 1.772 18715 9399 1 16 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.431 -1.553 18715 9400 1 16 . 1 1 27 27 LYS H H 27 7.817 7.817 7.676 0.141 18715 9401 1 16 . 1 1 28 28 GLN N N 28 122.978 122.978 119.837 3.141 18715 9402 1 16 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.325 0.491 18715 9403 1 16 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.766 -0.293 18715 9404 1 16 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.263 3.791 18715 9405 1 16 . 1 1 28 28 GLN H H 28 8.458 8.458 8.326 0.132 18715 9406 1 16 . 1 1 29 29 TYR N N 29 119.540 119.540 119.390 0.150 18715 9407 1 16 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.494 -0.762 18715 9408 1 16 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.833 2.177 18715 9409 1 16 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.424 -2.208 18715 9410 1 16 . 1 1 29 29 TYR H H 29 7.824 7.824 8.499 -0.675 18715 9411 1 16 . 1 1 30 30 LYS N N 30 117.978 117.978 120.147 -2.169 18715 9412 1 16 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.885 0.331 18715 9413 1 16 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.731 -0.666 18715 9414 1 16 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.356 2.232 18715 9415 1 16 . 1 1 30 30 LYS H H 30 10.610 10.610 9.264 1.347 18715 9416 1 16 . 1 1 31 31 LEU N N 31 128.602 128.602 123.810 4.792 18715 9417 1 16 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.161 0.020 18715 9418 1 16 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.204 1.030 18715 9419 1 16 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.211 -0.208 18715 9420 1 16 . 1 1 31 31 LEU H H 31 9.991 9.991 9.148 0.843 18715 9421 1 16 . 1 1 32 32 LYS N N 32 115.165 115.165 119.422 -4.257 18715 9422 1 16 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.978 0.167 18715 9423 1 16 . 1 1 32 32 LYS CA C 32 59.097 59.097 58.865 0.232 18715 9424 1 16 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.852 -0.293 18715 9425 1 16 . 1 1 32 32 LYS H H 32 8.399 8.399 8.702 -0.303 18715 9426 1 16 . 1 1 33 33 HIS N N 33 119.540 119.540 116.806 2.734 18715 9427 1 16 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.686 -0.082 18715 9428 1 16 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.679 3.212 18715 9429 1 16 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.542 2.242 18715 9430 1 16 . 1 1 33 33 HIS H H 33 8.193 8.193 7.979 0.214 18715 9431 1 16 . 1 1 34 34 ILE N N 34 119.540 119.540 121.114 -1.574 18715 9432 1 16 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.923 -0.129 18715 9433 1 16 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.916 -1.068 18715 9434 1 16 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.679 -0.700 18715 9435 1 16 . 1 1 34 34 ILE H H 34 7.898 7.898 7.502 0.396 18715 9436 1 16 . 1 1 35 35 VAL N N 35 122.040 122.040 119.060 2.980 18715 9437 1 16 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.777 -0.165 18715 9438 1 16 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.662 0.084 18715 9439 1 16 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.253 0.889 18715 9440 1 16 . 1 1 35 35 VAL H H 35 7.706 7.706 8.627 -0.921 18715 9441 1 16 . 1 1 36 36 TRP N N 36 119.986 119.986 122.527 -2.541 18715 9442 1 16 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.208 0.025 18715 9443 1 16 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.969 0.141 18715 9444 1 16 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.219 -0.807 18715 9445 1 16 . 1 1 36 36 TRP H H 36 8.452 8.452 7.794 0.658 18715 9446 1 16 . 1 1 37 37 ALA N N 37 120.478 120.478 119.747 0.731 18715 9447 1 16 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.557 -0.167 18715 9448 1 16 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.960 0.153 18715 9449 1 16 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.241 -0.811 18715 9450 1 16 . 1 1 37 37 ALA H H 37 8.311 8.311 7.975 0.336 18715 9451 1 16 . 1 1 38 38 SER N N 38 111.415 111.415 114.900 -3.485 18715 9452 1 16 . 1 1 38 38 SER HA H 38 3.906 3.906 4.014 -0.108 18715 9453 1 16 . 1 1 38 38 SER CA C 38 62.801 62.801 61.750 1.051 18715 9454 1 16 . 1 1 38 38 SER CB C 38 62.829 62.829 62.939 -0.110 18715 9455 1 16 . 1 1 38 38 SER H H 38 8.259 8.259 7.763 0.496 18715 9456 1 16 . 1 1 39 39 ARG N N 39 119.852 119.852 119.661 0.191 18715 9457 1 16 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.004 0.142 18715 9458 1 16 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.675 -0.265 18715 9459 1 16 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.273 -0.266 18715 9460 1 16 . 1 1 39 39 ARG H H 39 7.559 7.559 7.721 -0.162 18715 9461 1 16 . 1 1 40 40 GLU N N 40 121.102 121.102 119.002 2.100 18715 9462 1 16 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.873 -0.086 18715 9463 1 16 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.239 0.042 18715 9464 1 16 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.275 0.399 18715 9465 1 16 . 1 1 40 40 GLU H H 40 8.222 8.222 7.463 0.759 18715 9466 1 16 . 1 1 41 41 LEU N N 41 117.040 117.040 121.042 -4.002 18715 9467 1 16 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.111 -0.158 18715 9468 1 16 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.263 0.060 18715 9469 1 16 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.913 -1.733 18715 9470 1 16 . 1 1 41 41 LEU H H 41 8.016 8.016 8.303 -0.287 18715 9471 1 16 . 1 1 42 42 GLU N N 42 117.352 117.352 118.066 -0.714 18715 9472 1 16 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.120 0.007 18715 9473 1 16 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.426 0.145 18715 9474 1 16 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.047 0.619 18715 9475 1 16 . 1 1 42 42 GLU H H 42 7.559 7.559 7.598 -0.039 18715 9476 1 16 . 1 1 43 43 ARG N N 43 119.540 119.540 118.109 1.431 18715 9477 1 16 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.007 0.035 18715 9478 1 16 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.096 0.394 18715 9479 1 16 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.964 -0.299 18715 9480 1 16 . 1 1 43 43 ARG H H 43 7.647 7.647 7.514 0.133 18715 9481 1 16 . 1 1 44 44 PHE N N 44 117.665 117.665 117.882 -0.217 18715 9482 1 16 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.649 -0.035 18715 9483 1 16 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.480 0.878 18715 9484 1 16 . 1 1 44 44 PHE CB C 44 39.166 39.166 37.894 1.272 18715 9485 1 16 . 1 1 44 44 PHE H H 44 7.529 7.529 7.500 0.029 18715 9486 1 16 . 1 1 45 45 ALA N N 45 118.915 118.915 119.430 -0.515 18715 9487 1 16 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.949 0.066 18715 9488 1 16 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.192 0.222 18715 9489 1 16 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.117 -0.838 18715 9490 1 16 . 1 1 45 45 ALA H H 45 7.928 7.928 7.684 0.244 18715 9491 1 16 . 1 1 46 46 VAL N N 46 119.540 119.540 119.347 0.193 18715 9492 1 16 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.237 -0.142 18715 9493 1 16 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.000 0.821 18715 9494 1 16 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.530 -0.164 18715 9495 1 16 . 1 1 46 46 VAL H H 46 7.765 7.765 7.779 -0.014 18715 9496 1 16 . 1 1 47 47 ASN N N 47 125.790 125.790 126.157 -0.367 18715 9497 1 16 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.845 -0.199 18715 9498 1 16 . 1 1 47 47 ASN CA C 47 50.997 50.997 51.386 -0.389 18715 9499 1 16 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.099 0.987 18715 9500 1 16 . 1 1 47 47 ASN H H 47 8.399 8.399 8.799 -0.400 18715 9501 1 16 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.394 -0.172 18715 9502 1 16 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.305 0.009 18715 9503 1 16 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.912 -0.172 18715 9504 1 16 . 1 1 49 49 GLY N N 49 108.290 108.290 107.178 1.112 18715 9505 1 16 . 1 1 49 49 GLY CA C 49 46.530 46.530 44.992 1.538 18715 9506 1 16 . 1 1 49 49 GLY H H 49 8.620 8.620 8.138 0.482 18715 9507 1 16 . 1 1 50 50 LEU N N 50 121.728 121.728 118.969 2.759 18715 9508 1 16 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.458 -0.312 18715 9509 1 16 . 1 1 50 50 LEU CA C 50 57.241 57.241 54.857 2.384 18715 9510 1 16 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.670 -1.107 18715 9511 1 16 . 1 1 50 50 LEU H H 50 7.765 7.765 7.312 0.453 18715 9512 1 16 . 1 1 51 51 LEU N N 51 112.040 112.040 119.871 -7.831 18715 9513 1 16 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.140 0.098 18715 9514 1 16 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.402 -0.895 18715 9515 1 16 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.836 0.654 18715 9516 1 16 . 1 1 51 51 LEU H H 51 7.412 7.412 7.526 -0.114 18715 9517 1 16 . 1 1 52 52 GLU N N 52 114.540 114.540 114.172 0.368 18715 9518 1 16 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.223 -0.168 18715 9519 1 16 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.917 1.467 18715 9520 1 16 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.281 1.777 18715 9521 1 16 . 1 1 52 52 GLU H H 52 7.500 7.500 8.633 -1.133 18715 9522 1 16 . 1 1 53 53 THR N N 53 122.978 122.978 111.469 11.509 18715 9523 1 16 . 1 1 53 53 THR HA H 53 4.402 4.402 4.394 0.008 18715 9524 1 16 . 1 1 53 53 THR CA C 53 58.306 58.306 59.855 -1.548 18715 9525 1 16 . 1 1 53 53 THR CB C 53 73.222 73.222 71.925 1.297 18715 9526 1 16 . 1 1 53 53 THR H H 53 7.235 7.235 7.452 -0.217 18715 9527 1 16 . 1 1 54 54 SER N N 54 119.228 119.228 121.250 -2.022 18715 9528 1 16 . 1 1 54 54 SER HA H 54 4.043 4.043 4.144 -0.101 18715 9529 1 16 . 1 1 54 54 SER CA C 54 62.657 62.657 61.931 0.726 18715 9530 1 16 . 1 1 54 54 SER CB C 54 62.562 62.562 62.897 -0.335 18715 9531 1 16 . 1 1 54 54 SER H H 54 9.313 9.313 8.852 0.461 18715 9532 1 16 . 1 1 55 55 GLU N N 55 121.233 121.233 120.789 0.444 18715 9533 1 16 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.297 -0.228 18715 9534 1 16 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.300 1.375 18715 9535 1 16 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.598 -0.599 18715 9536 1 16 . 1 1 55 55 GLU H H 55 8.975 8.975 8.591 0.384 18715 9537 1 16 . 1 1 56 56 GLY N N 56 110.790 110.790 108.104 2.686 18715 9538 1 16 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.246 0.620 18715 9539 1 16 . 1 1 56 56 GLY H H 56 8.517 8.517 8.212 0.305 18715 9540 1 16 . 1 1 57 57 CYS N N 57 118.602 118.602 118.902 -0.300 18715 9541 1 16 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.270 -0.250 18715 9542 1 16 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.533 1.069 18715 9543 1 16 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.932 19.863 18715 9544 1 16 . 1 1 57 57 CYS H H 57 8.122 8.122 7.850 0.272 18715 9545 1 16 . 1 1 58 58 ARG N N 58 119.540 119.540 120.653 -1.113 18715 9546 1 16 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.736 -0.186 18715 9547 1 16 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.747 -0.040 18715 9548 1 16 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.774 -0.325 18715 9549 1 16 . 1 1 58 58 ARG H H 58 8.488 8.488 7.695 0.793 18715 9550 1 16 . 1 1 59 59 GLN N N 59 119.852 119.852 117.264 2.588 18715 9551 1 16 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.133 -0.081 18715 9552 1 16 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.859 0.541 18715 9553 1 16 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.449 -0.215 18715 9554 1 16 . 1 1 59 59 GLN H H 59 8.016 8.016 7.835 0.181 18715 9555 1 16 . 1 1 60 60 ILE N N 60 120.790 120.790 119.709 1.081 18715 9556 1 16 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.745 -0.134 18715 9557 1 16 . 1 1 60 60 ILE CA C 60 65.590 65.590 64.549 1.041 18715 9558 1 16 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.144 -0.294 18715 9559 1 16 . 1 1 60 60 ILE H H 60 8.163 8.163 7.568 0.595 18715 9560 1 16 . 1 1 61 61 LEU N N 61 118.915 118.915 120.932 -2.017 18715 9561 1 16 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.030 -0.135 18715 9562 1 16 . 1 1 61 61 LEU CA C 61 58.654 58.654 58.119 0.535 18715 9563 1 16 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.524 -0.748 18715 9564 1 16 . 1 1 61 61 LEU H H 61 8.370 8.370 8.649 -0.279 18715 9565 1 16 . 1 1 62 62 GLY N N 62 104.332 104.332 107.418 -3.086 18715 9566 1 16 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.267 -0.084 18715 9567 1 16 . 1 1 62 62 GLY H H 62 7.883 7.883 8.449 -0.566 18715 9568 1 16 . 1 1 63 63 GLN N N 63 119.852 119.852 119.045 0.807 18715 9569 1 16 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.275 -0.123 18715 9570 1 16 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.772 0.222 18715 9571 1 16 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.991 0.207 18715 9572 1 16 . 1 1 63 63 GLN H H 63 7.795 7.795 7.637 0.158 18715 9573 1 16 . 1 1 64 64 LEU N N 64 117.040 117.040 121.092 -4.052 18715 9574 1 16 . 1 1 64 64 LEU HA H 64 4.281 4.281 3.962 0.319 18715 9575 1 16 . 1 1 64 64 LEU CA C 64 56.101 56.101 57.306 -1.205 18715 9576 1 16 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.746 2.497 18715 9577 1 16 . 1 1 64 64 LEU H H 64 8.252 8.252 7.538 0.714 18715 9578 1 16 . 1 1 65 65 GLN N N 65 118.915 118.915 119.709 -0.794 18715 9579 1 16 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.955 -0.176 18715 9580 1 16 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.474 1.073 18715 9581 1 16 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.443 -0.579 18715 9582 1 16 . 1 1 65 65 GLN H H 65 8.104 8.104 8.558 -0.454 18715 9583 1 16 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.363 0.020 18715 9584 1 16 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.820 1.097 18715 9585 1 16 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.269 -0.170 18715 9586 1 16 . 1 1 67 67 SER N N 67 111.415 111.415 113.746 -2.331 18715 9587 1 16 . 1 1 67 67 SER HA H 67 4.493 4.493 4.324 0.169 18715 9588 1 16 . 1 1 67 67 SER CA C 67 59.696 59.696 60.826 -1.130 18715 9589 1 16 . 1 1 67 67 SER CB C 67 64.031 64.031 63.345 0.686 18715 9590 1 16 . 1 1 67 67 SER H H 67 7.824 7.824 7.383 0.441 18715 9591 1 16 . 1 1 68 68 LEU N N 68 121.102 121.102 121.655 -0.553 18715 9592 1 16 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.834 -0.018 18715 9593 1 16 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.805 0.143 18715 9594 1 16 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.259 0.510 18715 9595 1 16 . 1 1 68 68 LEU H H 68 7.647 7.647 8.074 -0.427 18715 9596 1 16 . 1 1 69 69 GLN N N 69 116.415 116.415 119.566 -3.151 18715 9597 1 16 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.072 -0.003 18715 9598 1 16 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.444 0.027 18715 9599 1 16 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.985 -0.557 18715 9600 1 16 . 1 1 69 69 GLN H H 69 8.060 8.060 8.230 -0.170 18715 9601 1 16 . 1 1 70 70 THR N N 70 106.728 106.728 108.677 -1.949 18715 9602 1 16 . 1 1 70 70 THR HA H 70 4.481 4.481 4.592 -0.111 18715 9603 1 16 . 1 1 70 70 THR CA C 70 61.291 61.291 60.664 0.627 18715 9604 1 16 . 1 1 70 70 THR CB C 70 69.415 69.415 69.282 0.133 18715 9605 1 16 . 1 1 70 70 THR H H 70 7.515 7.515 7.646 -0.131 18715 9606 1 16 . 1 1 71 71 GLY N N 71 109.540 109.540 109.644 -0.104 18715 9607 1 16 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.164 1.389 18715 9608 1 16 . 1 1 71 71 GLY H H 71 7.692 7.692 7.487 0.205 18715 9609 1 16 . 1 1 72 72 SER N N 72 114.540 114.540 116.350 -1.810 18715 9610 1 16 . 1 1 72 72 SER HA H 72 4.625 4.625 4.601 0.024 18715 9611 1 16 . 1 1 72 72 SER CA C 72 57.319 57.319 56.958 0.361 18715 9612 1 16 . 1 1 72 72 SER CB C 72 64.599 64.599 64.959 -0.360 18715 9613 1 16 . 1 1 72 72 SER H H 72 8.045 8.045 8.054 -0.009 18715 9614 1 16 . 1 1 73 73 GLU N N 73 124.228 124.228 120.428 3.800 18715 9615 1 16 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.042 0.045 18715 9616 1 16 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.992 -0.612 18715 9617 1 16 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.552 -0.250 18715 9618 1 16 . 1 1 73 73 GLU H H 73 9.092 9.092 8.884 0.208 18715 9619 1 16 . 1 1 74 74 GLU N N 74 120.165 120.165 118.242 1.923 18715 9620 1 16 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.401 -0.112 18715 9621 1 16 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.097 1.131 18715 9622 1 16 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.708 -0.246 18715 9623 1 16 . 1 1 74 74 GLU H H 74 8.665 8.665 7.911 0.754 18715 9624 1 16 . 1 1 75 75 LEU N N 75 121.415 121.415 120.327 1.088 18715 9625 1 16 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.229 -0.068 18715 9626 1 16 . 1 1 75 75 LEU CA C 75 57.953 57.953 57.229 0.724 18715 9627 1 16 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.158 -0.890 18715 9628 1 16 . 1 1 75 75 LEU H H 75 7.765 7.765 7.754 0.011 18715 9629 1 16 . 1 1 76 76 ARG N N 76 119.228 119.228 120.056 -0.828 18715 9630 1 16 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.136 -0.203 18715 9631 1 16 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.081 0.601 18715 9632 1 16 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.034 -0.837 18715 9633 1 16 . 1 1 76 76 ARG H H 76 7.868 7.868 8.140 -0.272 18715 9634 1 16 . 1 1 77 77 SER N N 77 114.228 114.228 116.666 -2.438 18715 9635 1 16 . 1 1 77 77 SER HA H 77 4.263 4.263 4.222 0.041 18715 9636 1 16 . 1 1 77 77 SER CA C 77 62.668 62.668 62.564 0.104 18715 9637 1 16 . 1 1 77 77 SER CB C 77 62.849 62.849 63.138 -0.289 18715 9638 1 16 . 1 1 77 77 SER H H 77 8.576 8.576 8.540 0.036 18715 9639 1 16 . 1 1 78 78 LEU N N 78 125.790 125.790 122.848 2.942 18715 9640 1 16 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.332 0.089 18715 9641 1 16 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.851 1.111 18715 9642 1 16 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.274 0.769 18715 9643 1 16 . 1 1 78 78 LEU H H 78 8.458 8.458 7.781 0.677 18715 9644 1 16 . 1 1 79 79 TYR N N 79 119.852 119.852 119.304 0.548 18715 9645 1 16 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.010 -0.349 18715 9646 1 16 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.065 0.737 18715 9647 1 16 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.195 0.999 18715 9648 1 16 . 1 1 79 79 TYR H H 79 8.694 8.694 7.990 0.704 18715 9649 1 16 . 1 1 80 80 ASN N N 80 117.040 117.040 117.854 -0.814 18715 9650 1 16 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.480 -0.196 18715 9651 1 16 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.990 -1.203 18715 9652 1 16 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.497 -0.658 18715 9653 1 16 . 1 1 80 80 ASN H H 80 8.871 8.871 7.953 0.918 18715 9654 1 16 . 1 1 81 81 THR N N 81 115.790 115.790 118.673 -2.883 18715 9655 1 16 . 1 1 81 81 THR HA H 81 3.945 3.945 4.206 -0.261 18715 9656 1 16 . 1 1 81 81 THR CA C 81 67.855 67.855 67.430 0.425 18715 9657 1 16 . 1 1 81 81 THR CB C 81 69.140 69.140 69.089 0.051 18715 9658 1 16 . 1 1 81 81 THR H H 81 8.119 8.119 8.256 -0.137 18715 9659 1 16 . 1 1 82 82 ILE N N 82 121.102 121.102 121.126 -0.024 18715 9660 1 16 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.761 -0.093 18715 9661 1 16 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.704 -1.183 18715 9662 1 16 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.446 -0.960 18715 9663 1 16 . 1 1 82 82 ILE H H 82 8.090 8.090 8.759 -0.669 18715 9664 1 16 . 1 1 83 83 ALA N N 83 125.165 125.165 122.397 2.768 18715 9665 1 16 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.904 -0.013 18715 9666 1 16 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.181 0.674 18715 9667 1 16 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.987 -0.139 18715 9668 1 16 . 1 1 83 83 ALA H H 83 8.782 8.782 7.473 1.309 18715 9669 1 16 . 1 1 84 84 VAL N N 84 117.665 117.665 118.307 -0.642 18715 9670 1 16 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.707 -0.379 18715 9671 1 16 . 1 1 84 84 VAL CA C 84 67.465 67.465 65.880 1.585 18715 9672 1 16 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.868 -0.173 18715 9673 1 16 . 1 1 84 84 VAL H H 84 7.795 7.795 7.429 0.366 18715 9674 1 16 . 1 1 85 85 LEU N N 85 122.040 122.040 121.776 0.264 18715 9675 1 16 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.963 -0.148 18715 9676 1 16 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.745 -0.435 18715 9677 1 16 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.936 0.212 18715 9678 1 16 . 1 1 85 85 LEU H H 85 8.163 8.163 8.234 -0.071 18715 9679 1 16 . 1 1 86 86 TYR N N 86 118.915 118.915 119.676 -0.761 18715 9680 1 16 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.071 -0.159 18715 9681 1 16 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.629 1.189 18715 9682 1 16 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.257 0.030 18715 9683 1 16 . 1 1 86 86 TYR H H 86 9.062 9.062 8.595 0.467 18715 9684 1 16 . 1 1 87 87 CYS N N 87 116.102 116.102 116.512 -0.410 18715 9685 1 16 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.941 -0.147 18715 9686 1 16 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.655 2.311 18715 9687 1 16 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.072 20.485 18715 9688 1 16 . 1 1 87 87 CYS H H 87 7.515 7.515 7.930 -0.415 18715 9689 1 16 . 1 1 88 88 VAL N N 88 119.978 119.978 120.797 -0.819 18715 9690 1 16 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.631 0.247 18715 9691 1 16 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.449 -0.003 18715 9692 1 16 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.701 -0.205 18715 9693 1 16 . 1 1 88 88 VAL H H 88 8.448 8.448 7.294 1.154 18715 9694 1 16 . 1 1 89 89 HIS N N 89 118.915 118.915 113.842 5.073 18715 9695 1 16 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.415 0.460 18715 9696 1 16 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.870 0.250 18715 9697 1 16 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.021 0.062 18715 9698 1 16 . 1 1 89 89 HIS H H 89 8.797 8.797 7.283 1.514 18715 9699 1 16 . 1 1 90 90 GLN N N 90 116.728 116.728 117.662 -0.934 18715 9700 1 16 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.301 0.084 18715 9701 1 16 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.917 0.372 18715 9702 1 16 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.840 2.112 18715 9703 1 16 . 1 1 90 90 GLN H H 90 7.986 7.986 7.317 0.669 18715 9704 1 16 . 1 1 91 91 ARG N N 91 115.165 115.165 115.034 0.131 18715 9705 1 16 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.841 0.172 18715 9706 1 16 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.475 -0.292 18715 9707 1 16 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.431 -1.382 18715 9708 1 16 . 1 1 91 91 ARG H H 91 7.883 7.883 7.606 0.277 18715 9709 1 16 . 1 1 92 92 ILE N N 92 120.087 120.087 120.473 -0.386 18715 9710 1 16 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.108 -0.123 18715 9711 1 16 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.881 -0.225 18715 9712 1 16 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.932 -0.002 18715 9713 1 16 . 1 1 92 92 ILE H H 92 8.335 8.335 8.075 0.260 18715 9714 1 16 . 1 1 93 93 ASP N N 93 129.228 129.228 127.278 1.950 18715 9715 1 16 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.973 -0.488 18715 9716 1 16 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.328 1.715 18715 9717 1 16 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.004 -1.608 18715 9718 1 16 . 1 1 93 93 ASP H H 93 8.620 8.620 8.656 -0.036 18715 9719 1 16 . 1 1 94 94 VAL N N 94 115.790 115.790 117.507 -1.717 18715 9720 1 16 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.648 -0.015 18715 9721 1 16 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.698 -0.578 18715 9722 1 16 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.933 0.579 18715 9723 1 16 . 1 1 94 94 VAL H H 94 7.751 7.751 8.170 -0.419 18715 9724 1 16 . 1 1 95 95 LYS N N 95 118.915 118.915 120.317 -1.402 18715 9725 1 16 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.242 0.151 18715 9726 1 16 . 1 1 95 95 LYS CA C 95 56.671 56.671 59.283 -2.612 18715 9727 1 16 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.371 0.637 18715 9728 1 16 . 1 1 95 95 LYS H H 95 9.239 9.239 8.790 0.449 18715 9729 1 16 . 1 1 96 96 ASP N N 96 112.040 112.040 114.040 -2.000 18715 9730 1 16 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.444 0.118 18715 9731 1 16 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.290 0.539 18715 9732 1 16 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.811 1.793 18715 9733 1 16 . 1 1 96 96 ASP H H 96 7.412 7.412 7.545 -0.133 18715 9734 1 16 . 1 1 97 97 THR N N 97 109.540 109.540 113.949 -4.409 18715 9735 1 16 . 1 1 97 97 THR HA H 97 3.661 3.661 4.066 -0.405 18715 9736 1 16 . 1 1 97 97 THR CA C 97 65.947 65.947 66.418 -0.471 18715 9737 1 16 . 1 1 97 97 THR CB C 97 70.285 70.285 69.111 1.174 18715 9738 1 16 . 1 1 97 97 THR H H 97 7.250 7.250 8.161 -0.911 18715 9739 1 16 . 1 1 98 98 LYS N N 98 121.102 121.102 122.251 -1.149 18715 9740 1 16 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.955 -0.010 18715 9741 1 16 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.707 -0.079 18715 9742 1 16 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.093 -0.166 18715 9743 1 16 . 1 1 98 98 LYS H H 98 7.868 7.868 8.425 -0.557 18715 9744 1 16 . 1 1 99 99 GLU N N 99 119.228 119.228 118.834 0.394 18715 9745 1 16 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.145 -0.068 18715 9746 1 16 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.373 0.421 18715 9747 1 16 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.641 0.605 18715 9748 1 16 . 1 1 99 99 GLU H H 99 8.384 8.384 8.516 -0.132 18715 9749 1 16 . 1 1 100 100 ALA N N 100 118.915 118.915 122.931 -4.016 18715 9750 1 16 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.097 0.289 18715 9751 1 16 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.878 0.518 18715 9752 1 16 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.392 1.367 18715 9753 1 16 . 1 1 100 100 ALA H H 100 7.382 7.382 7.456 -0.074 18715 9754 1 16 . 1 1 101 101 LEU N N 101 117.978 117.978 118.002 -0.024 18715 9755 1 16 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.919 0.101 18715 9756 1 16 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.162 -0.187 18715 9757 1 16 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.715 -0.222 18715 9758 1 16 . 1 1 101 101 LEU H H 101 8.119 8.119 7.916 0.203 18715 9759 1 16 . 1 1 102 102 ASP N N 102 120.478 120.478 118.883 1.595 18715 9760 1 16 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.436 -0.069 18715 9761 1 16 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.740 -0.388 18715 9762 1 16 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.149 -0.427 18715 9763 1 16 . 1 1 102 102 ASP H H 102 8.679 8.679 7.907 0.772 18715 9764 1 16 . 1 1 103 103 LYS N N 103 120.165 120.165 120.448 -0.283 18715 9765 1 16 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.170 -0.006 18715 9766 1 16 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.351 -0.987 18715 9767 1 16 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.606 -1.074 18715 9768 1 16 . 1 1 103 103 LYS H H 103 8.207 8.207 7.533 0.674 18715 9769 1 16 . 1 1 104 104 ILE N N 104 119.852 119.852 119.488 0.364 18715 9770 1 16 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.818 -0.008 18715 9771 1 16 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.048 -0.440 18715 9772 1 16 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.122 -0.688 18715 9773 1 16 . 1 1 104 104 ILE H H 104 8.163 8.163 7.709 0.454 18715 9774 1 16 . 1 1 105 105 GLU N N 105 121.415 121.415 120.097 1.318 18715 9775 1 16 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.001 0.034 18715 9776 1 16 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.489 0.145 18715 9777 1 16 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.755 3.001 18715 9778 1 16 . 1 1 105 105 GLU H H 105 8.001 8.001 8.341 -0.340 18715 9779 1 16 . 1 1 106 106 GLU N N 106 119.228 119.228 119.635 -0.407 18715 9780 1 16 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.129 -0.039 18715 9781 1 16 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.074 0.193 18715 9782 1 16 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.695 -0.098 18715 9783 1 16 . 1 1 106 106 GLU H H 106 8.031 8.031 7.782 0.249 18715 9784 1 16 . 1 1 107 107 GLU N N 107 118.915 118.915 119.115 -0.200 18715 9785 1 16 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.130 -0.057 18715 9786 1 16 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.072 0.269 18715 9787 1 16 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.735 0.135 18715 9788 1 16 . 1 1 107 107 GLU H H 107 8.016 8.016 7.666 0.350 18715 9789 1 16 . 1 1 108 108 GLN N N 108 118.290 118.290 117.043 1.247 18715 9790 1 16 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.277 -0.130 18715 9791 1 16 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.791 0.616 18715 9792 1 16 . 1 1 108 108 GLN CB C 108 28.845 28.845 29.153 -0.308 18715 9793 1 16 . 1 1 108 108 GLN H H 108 8.252 8.252 7.650 0.602 18715 9794 1 16 . 1 1 109 109 ASN N N 109 118.290 118.290 119.635 -1.345 18715 9795 1 16 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.468 0.149 18715 9796 1 16 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.088 -1.206 18715 9797 1 16 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.200 0.325 18715 9798 1 16 . 1 1 109 109 ASN H H 109 8.252 8.252 7.966 0.286 18715 9799 1 16 . 1 1 110 110 LYS N N 110 120.478 120.478 119.200 1.278 18715 9800 1 16 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.178 0.052 18715 9801 1 16 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.790 -0.479 18715 9802 1 16 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.655 0.036 18715 9803 1 16 . 1 1 110 110 LYS H H 110 8.031 8.031 7.452 0.579 18715 9804 1 16 . 1 1 111 111 SER N N 111 114.540 114.540 114.221 0.319 18715 9805 1 16 . 1 1 111 111 SER HA H 111 4.368 4.368 4.368 0.000 18715 9806 1 16 . 1 1 111 111 SER CA C 111 59.764 59.764 60.608 -0.845 18715 9807 1 16 . 1 1 111 111 SER CB C 111 63.442 63.442 62.846 0.596 18715 9808 1 16 . 1 1 111 111 SER H H 111 8.031 8.031 7.392 0.639 18715 9809 1 16 . 1 1 112 112 LYS N N 112 122.040 122.040 122.438 -0.398 18715 9810 1 16 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.098 0.147 18715 9811 1 16 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.904 -1.575 18715 9812 1 16 . 1 1 112 112 LYS CB C 112 32.775 32.775 31.927 0.848 18715 9813 1 16 . 1 1 112 112 LYS H H 112 7.957 7.957 7.955 0.002 18715 9814 1 16 . 1 1 113 113 LYS N N 113 120.790 120.790 116.976 3.814 18715 9815 1 16 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.102 0.048 18715 9816 1 16 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.037 0.097 18715 9817 1 16 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.421 0.345 18715 9818 1 16 . 1 1 113 113 LYS H H 113 8.016 8.016 7.850 0.166 18715 9819 1 16 . 1 1 114 114 LYS N N 114 121.728 121.728 117.913 3.815 18715 9820 1 16 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.339 -0.076 18715 9821 1 16 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.693 1.492 18715 9822 1 16 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.879 -0.022 18715 9823 1 16 . 1 1 114 114 LYS H H 114 8.119 8.119 7.544 0.575 18715 9824 1 16 . 1 1 115 115 ALA N N 115 124.228 124.228 121.938 2.290 18715 9825 1 16 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.554 -0.286 18715 9826 1 16 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.855 0.180 18715 9827 1 16 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.102 -0.064 18715 9828 1 16 . 1 1 115 115 ALA H H 115 8.178 8.178 7.788 0.390 18715 9829 1 16 . 1 1 116 116 GLN N N 116 119.228 119.228 117.855 1.373 18715 9830 1 16 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.414 -0.166 18715 9831 1 16 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.740 0.809 18715 9832 1 16 . 1 1 116 116 GLN H H 116 8.237 8.237 8.444 -0.207 18715 9833 1 16 . 1 1 117 117 GLN N N 117 120.478 120.478 120.545 -0.067 18715 9834 1 16 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.424 -0.155 18715 9835 1 16 . 1 1 117 117 GLN CA C 117 56.324 56.324 55.653 0.671 18715 9836 1 16 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.480 1.126 18715 9837 1 16 . 1 1 117 117 GLN H H 117 8.266 8.266 8.132 0.134 18715 9838 1 16 . 1 1 118 118 ALA N N 118 124.852 124.852 120.980 3.872 18715 9839 1 16 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.538 -0.262 18715 9840 1 16 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.291 0.546 18715 9841 1 16 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.904 0.158 18715 9842 1 16 . 1 1 118 118 ALA H H 118 8.266 8.266 7.947 0.319 18715 9843 1 16 . 1 1 119 119 ALA N N 119 122.978 122.978 120.831 2.147 18715 9844 1 16 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.519 -0.225 18715 9845 1 16 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.503 0.134 18715 9846 1 16 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.928 -0.727 18715 9847 1 16 . 1 1 119 119 ALA H H 119 8.163 8.163 8.085 0.078 18715 9848 1 16 . 1 1 120 120 ALA N N 120 122.665 122.665 121.368 1.297 18715 9849 1 16 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.463 -0.186 18715 9850 1 16 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.041 0.695 18715 9851 1 16 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.743 -0.576 18715 9852 1 16 . 1 1 120 120 ALA H H 120 8.163 8.163 7.917 0.246 18715 9853 1 16 . 1 1 121 121 ASP N N 121 119.228 119.228 118.790 0.438 18715 9854 1 16 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.688 -0.006 18715 9855 1 16 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.410 -0.146 18715 9856 1 16 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.071 0.057 18715 9857 1 16 . 1 1 121 121 ASP H H 121 8.252 8.252 8.360 -0.108 18715 9858 1 16 . 1 1 122 122 THR N N 122 113.602 113.602 114.608 -1.006 18715 9859 1 16 . 1 1 122 122 THR HA H 122 4.358 4.358 4.334 0.024 18715 9860 1 16 . 1 1 122 122 THR CA C 122 61.971 61.971 61.110 0.861 18715 9861 1 16 . 1 1 122 122 THR CB C 122 69.586 69.586 69.437 0.149 18715 9862 1 16 . 1 1 122 122 THR H H 122 8.075 8.075 7.788 0.287 18715 9863 1 16 . 1 1 123 123 GLY N N 123 110.478 110.478 108.448 2.030 18715 9864 1 16 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.889 0.715 18715 9865 1 16 . 1 1 123 123 GLY H H 123 8.414 8.414 8.426 -0.012 18715 9866 1 16 . 1 1 124 124 ASN N N 124 118.602 118.602 120.062 -1.460 18715 9867 1 16 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.629 -0.021 18715 9868 1 16 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.268 2.465 18715 9869 1 16 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.438 -1.900 18715 9870 1 16 . 1 1 124 124 ASN H H 124 8.266 8.266 8.511 -0.245 18715 9871 1 16 . 1 1 125 125 ASN N N 125 119.228 119.228 119.524 -0.296 18715 9872 1 16 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.832 -0.108 18715 9873 1 16 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.286 0.167 18715 9874 1 16 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.136 -0.323 18715 9875 1 16 . 1 1 125 125 ASN H H 125 8.443 8.443 8.396 0.047 18715 9876 1 16 . 1 1 126 126 SER N N 126 115.790 115.790 114.439 1.351 18715 9877 1 16 . 1 1 126 126 SER HA H 126 4.388 4.388 4.836 -0.448 18715 9878 1 16 . 1 1 126 126 SER CA C 126 58.851 58.851 57.516 1.335 18715 9879 1 16 . 1 1 126 126 SER CB C 126 63.926 63.926 65.052 -1.126 18715 9880 1 16 . 1 1 126 126 SER H H 126 8.266 8.266 8.769 -0.503 18715 9881 1 16 . 1 1 127 127 GLN N N 127 121.728 121.728 120.142 1.586 18715 9882 1 16 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.710 -0.387 18715 9883 1 16 . 1 1 127 127 GLN CA C 127 56.223 56.223 54.726 1.497 18715 9884 1 16 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.735 -1.567 18715 9885 1 16 . 1 1 127 127 GLN H H 127 8.355 8.355 8.477 -0.122 18715 9886 1 16 . 1 1 128 128 VAL N N 128 119.852 119.852 119.608 0.244 18715 9887 1 16 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.760 -0.651 18715 9888 1 16 . 1 1 128 128 VAL CA C 128 62.665 62.665 60.873 1.792 18715 9889 1 16 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.879 -1.110 18715 9890 1 16 . 1 1 128 128 VAL H H 128 7.986 7.986 9.025 -1.039 18715 9891 1 16 . 1 1 129 129 SER N N 129 117.978 117.978 116.464 1.514 18715 9892 1 16 . 1 1 129 129 SER HA H 129 4.136 4.136 5.007 -0.871 18715 9893 1 16 . 1 1 129 129 SER CA C 129 58.404 58.404 57.424 0.980 18715 9894 1 16 . 1 1 129 129 SER CB C 129 63.755 63.755 66.153 -2.397 18715 9895 1 16 . 1 1 129 129 SER H H 129 8.252 8.252 8.511 -0.259 18715 9896 1 16 . 1 1 130 130 GLN N N 130 121.728 121.728 120.638 1.090 18715 9897 1 16 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.486 -0.131 18715 9898 1 16 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.185 0.965 18715 9899 1 16 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.142 -0.769 18715 9900 1 16 . 1 1 130 130 GLN H H 130 8.355 8.355 8.844 -0.489 18715 9901 1 16 . 1 1 131 131 ASN N N 131 118.290 118.290 117.448 0.842 18715 9902 1 16 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.722 -0.090 18715 9903 1 16 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.303 0.265 18715 9904 1 16 . 1 1 131 131 ASN H H 131 8.252 8.252 8.587 -0.335 18715 9905 1 17 . 1 1 3 3 ALA N N 3 123.842 123.842 123.690 0.152 18715 9906 1 17 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.233 0.095 18715 9907 1 17 . 1 1 3 3 ALA CA C 3 52.537 52.537 54.036 -1.499 18715 9908 1 17 . 1 1 3 3 ALA CB C 3 17.251 17.251 17.706 -0.455 18715 9909 1 17 . 1 1 3 3 ALA H H 3 8.183 8.183 10.082 -1.899 18715 9910 1 17 . 1 1 4 4 ARG N N 4 120.165 120.165 117.907 2.258 18715 9911 1 17 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.246 0.010 18715 9912 1 17 . 1 1 4 4 ARG CA C 4 55.965 55.965 57.710 -1.745 18715 9913 1 17 . 1 1 4 4 ARG CB C 4 30.961 30.961 28.701 2.260 18715 9914 1 17 . 1 1 4 4 ARG H H 4 8.429 8.429 9.992 -1.563 18715 9915 1 17 . 1 1 5 5 ALA N N 5 125.165 125.165 126.996 -1.831 18715 9916 1 17 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.509 -0.227 18715 9917 1 17 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.976 0.395 18715 9918 1 17 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.853 -1.181 18715 9919 1 17 . 1 1 5 5 ALA H H 5 8.370 8.370 8.071 0.299 18715 9920 1 17 . 1 1 6 6 SER N N 6 114.540 114.540 115.585 -1.045 18715 9921 1 17 . 1 1 6 6 SER HA H 6 4.479 4.479 4.658 -0.179 18715 9922 1 17 . 1 1 6 6 SER CA C 6 57.804 57.804 57.549 0.255 18715 9923 1 17 . 1 1 6 6 SER CB C 6 64.034 64.034 64.475 -0.441 18715 9924 1 17 . 1 1 6 6 SER H H 6 8.134 8.134 8.361 -0.227 18715 9925 1 17 . 1 1 7 7 VAL N N 7 121.415 121.415 123.306 -1.891 18715 9926 1 17 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.004 -0.387 18715 9927 1 17 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.996 1.715 18715 9928 1 17 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.163 -0.227 18715 9929 1 17 . 1 1 7 7 VAL H H 7 8.119 8.119 8.502 -0.383 18715 9930 1 17 . 1 1 8 8 LEU N N 8 115.478 115.478 118.703 -3.225 18715 9931 1 17 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.899 0.033 18715 9932 1 17 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.060 -0.554 18715 9933 1 17 . 1 1 8 8 LEU CB C 8 44.303 44.303 44.043 0.260 18715 9934 1 17 . 1 1 8 8 LEU H H 8 7.382 7.382 7.633 -0.251 18715 9935 1 17 . 1 1 9 9 SER N N 9 118.290 118.290 119.764 -1.474 18715 9936 1 17 . 1 1 9 9 SER HA H 9 4.606 4.606 4.609 -0.003 18715 9937 1 17 . 1 1 9 9 SER CA C 9 57.197 57.197 57.462 -0.265 18715 9938 1 17 . 1 1 9 9 SER CB C 9 65.426 65.426 64.401 1.025 18715 9939 1 17 . 1 1 9 9 SER H H 9 9.166 9.166 8.941 0.225 18715 9940 1 17 . 1 1 10 10 GLY N N 10 109.228 109.228 109.751 -0.523 18715 9941 1 17 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.214 0.460 18715 9942 1 17 . 1 1 10 10 GLY H H 10 8.959 8.959 8.781 0.178 18715 9943 1 17 . 1 1 11 11 GLY N N 11 111.102 111.102 109.262 1.840 18715 9944 1 17 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.540 0.121 18715 9945 1 17 . 1 1 11 11 GLY H H 11 8.782 8.782 8.560 0.222 18715 9946 1 17 . 1 1 12 12 GLU N N 12 120.165 120.165 122.126 -1.961 18715 9947 1 17 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.959 -0.009 18715 9948 1 17 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.885 0.211 18715 9949 1 17 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.389 1.901 18715 9950 1 17 . 1 1 12 12 GLU H H 12 7.751 7.751 7.888 -0.137 18715 9951 1 17 . 1 1 13 13 LEU N N 13 121.415 121.415 121.375 0.040 18715 9952 1 17 . 1 1 13 13 LEU HA H 13 4.108 4.108 3.953 0.155 18715 9953 1 17 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.174 -0.112 18715 9954 1 17 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.976 -1.040 18715 9955 1 17 . 1 1 13 13 LEU H H 13 8.340 8.340 8.669 -0.329 18715 9956 1 17 . 1 1 14 14 ASP N N 14 116.415 116.415 119.453 -3.038 18715 9957 1 17 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.309 0.084 18715 9958 1 17 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.760 -0.624 18715 9959 1 17 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.183 0.903 18715 9960 1 17 . 1 1 14 14 ASP H H 14 7.574 7.574 8.025 -0.451 18715 9961 1 17 . 1 1 15 15 LYS N N 15 115.478 115.478 119.977 -4.499 18715 9962 1 17 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.133 -0.087 18715 9963 1 17 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.579 -1.177 18715 9964 1 17 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.323 0.036 18715 9965 1 17 . 1 1 15 15 LYS H H 15 7.117 7.117 7.456 -0.339 18715 9966 1 17 . 1 1 16 16 TRP N N 16 121.693 121.693 121.738 -0.045 18715 9967 1 17 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.163 -0.138 18715 9968 1 17 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.681 -0.395 18715 9969 1 17 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.615 1.498 18715 9970 1 17 . 1 1 16 16 TRP H H 16 8.646 8.646 8.493 0.153 18715 9971 1 17 . 1 1 17 17 GLU N N 17 127.710 127.710 116.975 10.735 18715 9972 1 17 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.381 0.310 18715 9973 1 17 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.955 -2.186 18715 9974 1 17 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.583 0.162 18715 9975 1 17 . 1 1 17 17 GLU H H 17 7.571 7.571 8.451 -0.880 18715 9976 1 17 . 1 1 18 18 LYS N N 18 115.790 115.790 118.639 -2.849 18715 9977 1 17 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.159 0.338 18715 9978 1 17 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.718 -2.150 18715 9979 1 17 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.214 0.725 18715 9980 1 17 . 1 1 18 18 LYS H H 18 7.456 7.456 7.285 0.171 18715 9981 1 17 . 1 1 19 19 ILE N N 19 124.228 124.228 120.165 4.063 18715 9982 1 17 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.995 -0.438 18715 9983 1 17 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.575 -0.455 18715 9984 1 17 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.743 0.439 18715 9985 1 17 . 1 1 19 19 ILE H H 19 7.633 7.633 8.012 -0.379 18715 9986 1 17 . 1 1 20 20 ARG N N 20 125.790 125.790 123.894 1.896 18715 9987 1 17 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.518 -0.090 18715 9988 1 17 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.597 1.898 18715 9989 1 17 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.819 -0.282 18715 9990 1 17 . 1 1 20 20 ARG H H 20 8.031 8.031 8.495 -0.464 18715 9991 1 17 . 1 1 21 21 LEU N N 21 120.165 120.165 120.812 -0.647 18715 9992 1 17 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.831 -0.385 18715 9993 1 17 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.107 1.128 18715 9994 1 17 . 1 1 21 21 LEU CB C 21 41.535 41.535 41.869 -0.334 18715 9995 1 17 . 1 1 21 21 LEU H H 21 7.810 7.810 8.424 -0.614 18715 9996 1 17 . 1 1 22 22 ARG N N 22 119.540 119.540 115.553 3.987 18715 9997 1 17 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.680 0.165 18715 9998 1 17 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.165 -0.321 18715 9999 1 17 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.535 -0.918 18715 10000 1 17 . 1 1 22 22 ARG H H 22 8.974 8.974 7.418 1.556 18715 10001 1 17 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.358 0.002 18715 10002 1 17 . 1 1 23 23 PRO CA C 23 63.436 63.436 65.153 -1.717 18715 10003 1 17 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.083 -0.518 18715 10004 1 17 . 1 1 24 24 GLY N N 24 112.665 112.665 107.725 4.940 18715 10005 1 17 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.562 1.243 18715 10006 1 17 . 1 1 24 24 GLY H H 24 9.138 9.138 8.328 0.810 18715 10007 1 17 . 1 1 25 25 GLY N N 25 107.978 107.978 108.134 -0.156 18715 10008 1 17 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.369 0.203 18715 10009 1 17 . 1 1 25 25 GLY H H 25 8.134 8.134 7.466 0.668 18715 10010 1 17 . 1 1 26 26 LYS N N 26 117.665 117.665 119.200 -1.535 18715 10011 1 17 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.562 -0.298 18715 10012 1 17 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.016 0.837 18715 10013 1 17 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.383 1.673 18715 10014 1 17 . 1 1 26 26 LYS H H 26 8.665 8.665 8.344 0.321 18715 10015 1 17 . 1 1 27 27 LYS N N 27 117.925 117.925 119.122 -1.197 18715 10016 1 17 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.552 -0.241 18715 10017 1 17 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.386 1.825 18715 10018 1 17 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.072 -1.194 18715 10019 1 17 . 1 1 27 27 LYS H H 27 7.817 7.817 7.697 0.120 18715 10020 1 17 . 1 1 28 28 GLN N N 28 122.978 122.978 118.839 4.139 18715 10021 1 17 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.388 0.428 18715 10022 1 17 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.800 -0.327 18715 10023 1 17 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.326 3.728 18715 10024 1 17 . 1 1 28 28 GLN H H 28 8.458 8.458 8.379 0.079 18715 10025 1 17 . 1 1 29 29 TYR N N 29 119.540 119.540 119.432 0.108 18715 10026 1 17 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.480 -0.748 18715 10027 1 17 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.885 2.125 18715 10028 1 17 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.519 -2.303 18715 10029 1 17 . 1 1 29 29 TYR H H 29 7.824 7.824 8.607 -0.783 18715 10030 1 17 . 1 1 30 30 LYS N N 30 117.978 117.978 120.681 -2.703 18715 10031 1 17 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.896 0.320 18715 10032 1 17 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.264 -1.199 18715 10033 1 17 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.986 2.602 18715 10034 1 17 . 1 1 30 30 LYS H H 30 10.610 10.610 9.164 1.446 18715 10035 1 17 . 1 1 31 31 LEU N N 31 128.602 128.602 125.451 3.151 18715 10036 1 17 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.123 0.058 18715 10037 1 17 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.829 1.405 18715 10038 1 17 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.483 -0.481 18715 10039 1 17 . 1 1 31 31 LEU H H 31 9.991 9.991 8.892 1.099 18715 10040 1 17 . 1 1 32 32 LYS N N 32 115.165 115.165 117.877 -2.712 18715 10041 1 17 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.951 0.194 18715 10042 1 17 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.507 -0.410 18715 10043 1 17 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.753 -0.195 18715 10044 1 17 . 1 1 32 32 LYS H H 32 8.399 8.399 8.615 -0.216 18715 10045 1 17 . 1 1 33 33 HIS N N 33 119.540 119.540 116.509 3.031 18715 10046 1 17 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.710 -0.106 18715 10047 1 17 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.058 3.833 18715 10048 1 17 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.608 2.176 18715 10049 1 17 . 1 1 33 33 HIS H H 33 8.193 8.193 8.073 0.120 18715 10050 1 17 . 1 1 34 34 ILE N N 34 119.540 119.540 120.650 -1.110 18715 10051 1 17 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.922 -0.128 18715 10052 1 17 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.757 -0.909 18715 10053 1 17 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.825 -0.846 18715 10054 1 17 . 1 1 34 34 ILE H H 34 7.898 7.898 7.794 0.104 18715 10055 1 17 . 1 1 35 35 VAL N N 35 122.040 122.040 119.803 2.237 18715 10056 1 17 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.817 -0.205 18715 10057 1 17 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.231 0.515 18715 10058 1 17 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.175 0.967 18715 10059 1 17 . 1 1 35 35 VAL H H 35 7.706 7.706 8.645 -0.939 18715 10060 1 17 . 1 1 36 36 TRP N N 36 119.986 119.986 121.949 -1.963 18715 10061 1 17 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.310 -0.077 18715 10062 1 17 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.326 0.784 18715 10063 1 17 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.394 -0.982 18715 10064 1 17 . 1 1 36 36 TRP H H 36 8.452 8.452 7.751 0.701 18715 10065 1 17 . 1 1 37 37 ALA N N 37 120.478 120.478 120.493 -0.015 18715 10066 1 17 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.961 -0.571 18715 10067 1 17 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.046 1.067 18715 10068 1 17 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.679 -1.249 18715 10069 1 17 . 1 1 37 37 ALA H H 37 8.311 8.311 7.780 0.531 18715 10070 1 17 . 1 1 38 38 SER N N 38 111.415 111.415 115.325 -3.910 18715 10071 1 17 . 1 1 38 38 SER HA H 38 3.906 3.906 4.166 -0.260 18715 10072 1 17 . 1 1 38 38 SER CA C 38 62.801 62.801 62.586 0.215 18715 10073 1 17 . 1 1 38 38 SER CB C 38 62.829 62.829 63.210 -0.381 18715 10074 1 17 . 1 1 38 38 SER H H 38 8.259 8.259 7.800 0.459 18715 10075 1 17 . 1 1 39 39 ARG N N 39 119.852 119.852 120.001 -0.149 18715 10076 1 17 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.167 -0.021 18715 10077 1 17 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.508 -0.098 18715 10078 1 17 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.401 -0.393 18715 10079 1 17 . 1 1 39 39 ARG H H 39 7.559 7.559 7.681 -0.122 18715 10080 1 17 . 1 1 40 40 GLU N N 40 121.102 121.102 119.710 1.392 18715 10081 1 17 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.929 -0.142 18715 10082 1 17 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.191 0.090 18715 10083 1 17 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.129 0.545 18715 10084 1 17 . 1 1 40 40 GLU H H 40 8.222 8.222 7.414 0.808 18715 10085 1 17 . 1 1 41 41 LEU N N 41 117.040 117.040 120.475 -3.435 18715 10086 1 17 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.164 -0.211 18715 10087 1 17 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.941 0.382 18715 10088 1 17 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.987 -1.807 18715 10089 1 17 . 1 1 41 41 LEU H H 41 8.016 8.016 7.749 0.267 18715 10090 1 17 . 1 1 42 42 GLU N N 42 117.352 117.352 118.052 -0.700 18715 10091 1 17 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.035 0.092 18715 10092 1 17 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.322 0.249 18715 10093 1 17 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.118 0.547 18715 10094 1 17 . 1 1 42 42 GLU H H 42 7.559 7.559 7.607 -0.048 18715 10095 1 17 . 1 1 43 43 ARG N N 43 119.540 119.540 118.287 1.253 18715 10096 1 17 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.026 0.016 18715 10097 1 17 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.166 0.324 18715 10098 1 17 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.108 -0.443 18715 10099 1 17 . 1 1 43 43 ARG H H 43 7.647 7.647 7.456 0.191 18715 10100 1 17 . 1 1 44 44 PHE N N 44 117.665 117.665 118.410 -0.745 18715 10101 1 17 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.633 -0.019 18715 10102 1 17 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.795 0.562 18715 10103 1 17 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.206 0.960 18715 10104 1 17 . 1 1 44 44 PHE H H 44 7.529 7.529 7.643 -0.114 18715 10105 1 17 . 1 1 45 45 ALA N N 45 118.915 118.915 119.238 -0.323 18715 10106 1 17 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.932 0.083 18715 10107 1 17 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.298 0.116 18715 10108 1 17 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.893 -0.614 18715 10109 1 17 . 1 1 45 45 ALA H H 45 7.928 7.928 7.671 0.257 18715 10110 1 17 . 1 1 46 46 VAL N N 46 119.540 119.540 119.132 0.408 18715 10111 1 17 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.183 -0.088 18715 10112 1 17 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.842 -0.021 18715 10113 1 17 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.748 -0.382 18715 10114 1 17 . 1 1 46 46 VAL H H 46 7.765 7.765 7.597 0.168 18715 10115 1 17 . 1 1 47 47 ASN N N 47 125.790 125.790 127.071 -1.281 18715 10116 1 17 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.723 -0.077 18715 10117 1 17 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.492 -1.495 18715 10118 1 17 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.130 0.956 18715 10119 1 17 . 1 1 47 47 ASN H H 47 8.399 8.399 8.861 -0.462 18715 10120 1 17 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.395 -0.173 18715 10121 1 17 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.664 -0.350 18715 10122 1 17 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.899 -0.159 18715 10123 1 17 . 1 1 49 49 GLY N N 49 108.290 108.290 107.644 0.646 18715 10124 1 17 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.241 0.289 18715 10125 1 17 . 1 1 49 49 GLY H H 49 8.620 8.620 8.632 -0.012 18715 10126 1 17 . 1 1 50 50 LEU N N 50 121.728 121.728 121.175 0.553 18715 10127 1 17 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.173 -0.027 18715 10128 1 17 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.022 1.219 18715 10129 1 17 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.841 -0.278 18715 10130 1 17 . 1 1 50 50 LEU H H 50 7.765 7.765 7.497 0.269 18715 10131 1 17 . 1 1 51 51 LEU N N 51 112.040 112.040 117.982 -5.942 18715 10132 1 17 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.165 0.073 18715 10133 1 17 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.956 -0.449 18715 10134 1 17 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.974 0.516 18715 10135 1 17 . 1 1 51 51 LEU H H 51 7.412 7.412 7.611 -0.199 18715 10136 1 17 . 1 1 52 52 GLU N N 52 114.540 114.540 113.925 0.615 18715 10137 1 17 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.423 -0.368 18715 10138 1 17 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.335 3.049 18715 10139 1 17 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.109 1.949 18715 10140 1 17 . 1 1 52 52 GLU H H 52 7.500 7.500 7.633 -0.133 18715 10141 1 17 . 1 1 53 53 THR N N 53 122.978 122.978 110.637 12.341 18715 10142 1 17 . 1 1 53 53 THR HA H 53 4.402 4.402 4.577 -0.175 18715 10143 1 17 . 1 1 53 53 THR CA C 53 58.306 58.306 59.458 -1.152 18715 10144 1 17 . 1 1 53 53 THR CB C 53 73.222 73.222 71.522 1.700 18715 10145 1 17 . 1 1 53 53 THR H H 53 7.235 7.235 7.531 -0.296 18715 10146 1 17 . 1 1 54 54 SER N N 54 119.228 119.228 121.695 -2.467 18715 10147 1 17 . 1 1 54 54 SER HA H 54 4.043 4.043 4.282 -0.239 18715 10148 1 17 . 1 1 54 54 SER CA C 54 62.657 62.657 61.100 1.557 18715 10149 1 17 . 1 1 54 54 SER CB C 54 62.562 62.562 62.901 -0.339 18715 10150 1 17 . 1 1 54 54 SER H H 54 9.313 9.313 8.939 0.374 18715 10151 1 17 . 1 1 55 55 GLU N N 55 121.233 121.233 119.876 1.357 18715 10152 1 17 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.360 -0.291 18715 10153 1 17 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.583 1.092 18715 10154 1 17 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.391 -0.392 18715 10155 1 17 . 1 1 55 55 GLU H H 55 8.975 8.975 8.550 0.425 18715 10156 1 17 . 1 1 56 56 GLY N N 56 110.790 110.790 108.731 2.059 18715 10157 1 17 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.305 0.561 18715 10158 1 17 . 1 1 56 56 GLY H H 56 8.517 8.517 8.256 0.261 18715 10159 1 17 . 1 1 57 57 CYS N N 57 118.602 118.602 119.334 -0.732 18715 10160 1 17 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.084 -0.064 18715 10161 1 17 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.717 0.885 18715 10162 1 17 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.584 20.211 18715 10163 1 17 . 1 1 57 57 CYS H H 57 8.122 8.122 8.344 -0.222 18715 10164 1 17 . 1 1 58 58 ARG N N 58 119.540 119.540 119.661 -0.121 18715 10165 1 17 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.523 0.027 18715 10166 1 17 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.014 0.693 18715 10167 1 17 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.817 -0.368 18715 10168 1 17 . 1 1 58 58 ARG H H 58 8.488 8.488 7.410 1.078 18715 10169 1 17 . 1 1 59 59 GLN N N 59 119.852 119.852 119.490 0.362 18715 10170 1 17 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.070 -0.018 18715 10171 1 17 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.758 0.642 18715 10172 1 17 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.525 -0.291 18715 10173 1 17 . 1 1 59 59 GLN H H 59 8.016 8.016 7.465 0.551 18715 10174 1 17 . 1 1 60 60 ILE N N 60 120.790 120.790 119.563 1.227 18715 10175 1 17 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.674 -0.063 18715 10176 1 17 . 1 1 60 60 ILE CA C 60 65.590 65.590 64.933 0.657 18715 10177 1 17 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.810 0.040 18715 10178 1 17 . 1 1 60 60 ILE H H 60 8.163 8.163 8.298 -0.135 18715 10179 1 17 . 1 1 61 61 LEU N N 61 118.915 118.915 118.145 0.770 18715 10180 1 17 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.185 -0.290 18715 10181 1 17 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.377 1.277 18715 10182 1 17 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.097 -0.321 18715 10183 1 17 . 1 1 61 61 LEU H H 61 8.370 8.370 7.442 0.928 18715 10184 1 17 . 1 1 62 62 GLY N N 62 104.332 104.332 106.011 -1.679 18715 10185 1 17 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.764 0.420 18715 10186 1 17 . 1 1 62 62 GLY H H 62 7.883 7.883 7.879 0.004 18715 10187 1 17 . 1 1 63 63 GLN N N 63 119.852 119.852 118.762 1.090 18715 10188 1 17 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.262 -0.110 18715 10189 1 17 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.571 0.423 18715 10190 1 17 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.053 0.146 18715 10191 1 17 . 1 1 63 63 GLN H H 63 7.795 7.795 7.608 0.187 18715 10192 1 17 . 1 1 64 64 LEU N N 64 117.040 117.040 119.264 -2.224 18715 10193 1 17 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.143 0.138 18715 10194 1 17 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.491 -0.390 18715 10195 1 17 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.094 2.149 18715 10196 1 17 . 1 1 64 64 LEU H H 64 8.252 8.252 7.394 0.858 18715 10197 1 17 . 1 1 65 65 GLN N N 65 118.915 118.915 119.682 -0.767 18715 10198 1 17 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.881 -0.102 18715 10199 1 17 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.564 0.983 18715 10200 1 17 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.400 -0.536 18715 10201 1 17 . 1 1 65 65 GLN H H 65 8.104 8.104 8.422 -0.318 18715 10202 1 17 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.331 0.052 18715 10203 1 17 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.838 1.079 18715 10204 1 17 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.194 -0.095 18715 10205 1 17 . 1 1 67 67 SER N N 67 111.415 111.415 112.922 -1.507 18715 10206 1 17 . 1 1 67 67 SER HA H 67 4.493 4.493 4.353 0.140 18715 10207 1 17 . 1 1 67 67 SER CA C 67 59.696 59.696 60.061 -0.365 18715 10208 1 17 . 1 1 67 67 SER CB C 67 64.031 64.031 63.031 1.000 18715 10209 1 17 . 1 1 67 67 SER H H 67 7.824 7.824 7.662 0.162 18715 10210 1 17 . 1 1 68 68 LEU N N 68 121.102 121.102 121.614 -0.512 18715 10211 1 17 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.795 0.021 18715 10212 1 17 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.029 -0.081 18715 10213 1 17 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.351 0.418 18715 10214 1 17 . 1 1 68 68 LEU H H 68 7.647 7.647 8.019 -0.372 18715 10215 1 17 . 1 1 69 69 GLN N N 69 116.415 116.415 118.843 -2.428 18715 10216 1 17 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.063 0.006 18715 10217 1 17 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.474 -0.004 18715 10218 1 17 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.044 -0.616 18715 10219 1 17 . 1 1 69 69 GLN H H 69 8.060 8.060 8.416 -0.356 18715 10220 1 17 . 1 1 70 70 THR N N 70 106.728 106.728 108.086 -1.358 18715 10221 1 17 . 1 1 70 70 THR HA H 70 4.481 4.481 4.589 -0.108 18715 10222 1 17 . 1 1 70 70 THR CA C 70 61.291 61.291 60.976 0.315 18715 10223 1 17 . 1 1 70 70 THR CB C 70 69.415 69.415 69.200 0.215 18715 10224 1 17 . 1 1 70 70 THR H H 70 7.515 7.515 7.603 -0.088 18715 10225 1 17 . 1 1 71 71 GLY N N 71 109.540 109.540 110.664 -1.124 18715 10226 1 17 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.294 1.258 18715 10227 1 17 . 1 1 71 71 GLY H H 71 7.692 7.692 7.637 0.055 18715 10228 1 17 . 1 1 72 72 SER N N 72 114.540 114.540 114.717 -0.177 18715 10229 1 17 . 1 1 72 72 SER HA H 72 4.625 4.625 4.720 -0.095 18715 10230 1 17 . 1 1 72 72 SER CA C 72 57.319 57.319 57.375 -0.056 18715 10231 1 17 . 1 1 72 72 SER CB C 72 64.599 64.599 66.094 -1.495 18715 10232 1 17 . 1 1 72 72 SER H H 72 8.045 8.045 8.040 0.005 18715 10233 1 17 . 1 1 73 73 GLU N N 73 124.228 124.228 121.308 2.920 18715 10234 1 17 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.048 0.039 18715 10235 1 17 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.544 -1.164 18715 10236 1 17 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.459 -0.157 18715 10237 1 17 . 1 1 73 73 GLU H H 73 9.092 9.092 9.050 0.042 18715 10238 1 17 . 1 1 74 74 GLU N N 74 120.165 120.165 119.599 0.566 18715 10239 1 17 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.469 -0.180 18715 10240 1 17 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.473 0.755 18715 10241 1 17 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.650 -0.188 18715 10242 1 17 . 1 1 74 74 GLU H H 74 8.665 8.665 7.830 0.835 18715 10243 1 17 . 1 1 75 75 LEU N N 75 121.415 121.415 121.209 0.206 18715 10244 1 17 . 1 1 75 75 LEU HA H 75 4.161 4.161 3.997 0.164 18715 10245 1 17 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.337 -0.384 18715 10246 1 17 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.987 -0.719 18715 10247 1 17 . 1 1 75 75 LEU H H 75 7.765 7.765 7.415 0.350 18715 10248 1 17 . 1 1 76 76 ARG N N 76 119.228 119.228 118.685 0.543 18715 10249 1 17 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.982 -0.049 18715 10250 1 17 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.039 0.643 18715 10251 1 17 . 1 1 76 76 ARG CB C 76 29.197 29.197 29.611 -0.414 18715 10252 1 17 . 1 1 76 76 ARG H H 76 7.868 7.868 8.531 -0.663 18715 10253 1 17 . 1 1 77 77 SER N N 77 114.228 114.228 115.950 -1.722 18715 10254 1 17 . 1 1 77 77 SER HA H 77 4.263 4.263 4.133 0.130 18715 10255 1 17 . 1 1 77 77 SER CA C 77 62.668 62.668 62.267 0.401 18715 10256 1 17 . 1 1 77 77 SER CB C 77 62.849 62.849 62.956 -0.107 18715 10257 1 17 . 1 1 77 77 SER H H 77 8.576 8.576 8.063 0.513 18715 10258 1 17 . 1 1 78 78 LEU N N 78 125.790 125.790 123.514 2.276 18715 10259 1 17 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.310 0.111 18715 10260 1 17 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.045 0.917 18715 10261 1 17 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.252 0.791 18715 10262 1 17 . 1 1 78 78 LEU H H 78 8.458 8.458 7.959 0.499 18715 10263 1 17 . 1 1 79 79 TYR N N 79 119.852 119.852 119.533 0.319 18715 10264 1 17 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.089 -0.428 18715 10265 1 17 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.642 1.160 18715 10266 1 17 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.370 0.824 18715 10267 1 17 . 1 1 79 79 TYR H H 79 8.694 8.694 8.537 0.157 18715 10268 1 17 . 1 1 80 80 ASN N N 80 117.040 117.040 117.528 -0.488 18715 10269 1 17 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.543 -0.259 18715 10270 1 17 . 1 1 80 80 ASN CA C 80 55.787 55.787 55.951 -0.164 18715 10271 1 17 . 1 1 80 80 ASN CB C 80 37.839 37.839 37.961 -0.122 18715 10272 1 17 . 1 1 80 80 ASN H H 80 8.871 8.871 8.069 0.802 18715 10273 1 17 . 1 1 81 81 THR N N 81 115.790 115.790 118.945 -3.155 18715 10274 1 17 . 1 1 81 81 THR HA H 81 3.945 3.945 4.190 -0.245 18715 10275 1 17 . 1 1 81 81 THR CA C 81 67.855 67.855 68.069 -0.214 18715 10276 1 17 . 1 1 81 81 THR CB C 81 69.140 69.140 68.991 0.149 18715 10277 1 17 . 1 1 81 81 THR H H 81 8.119 8.119 8.381 -0.262 18715 10278 1 17 . 1 1 82 82 ILE N N 82 121.102 121.102 120.524 0.578 18715 10279 1 17 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.823 -0.155 18715 10280 1 17 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.181 -0.661 18715 10281 1 17 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.420 -0.934 18715 10282 1 17 . 1 1 82 82 ILE H H 82 8.090 8.090 8.696 -0.606 18715 10283 1 17 . 1 1 83 83 ALA N N 83 125.165 125.165 123.610 1.555 18715 10284 1 17 . 1 1 83 83 ALA HA H 83 3.891 3.891 4.004 -0.113 18715 10285 1 17 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.186 0.669 18715 10286 1 17 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.993 -0.145 18715 10287 1 17 . 1 1 83 83 ALA H H 83 8.782 8.782 7.259 1.523 18715 10288 1 17 . 1 1 84 84 VAL N N 84 117.665 117.665 119.307 -1.642 18715 10289 1 17 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.498 -0.170 18715 10290 1 17 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.452 1.013 18715 10291 1 17 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.245 -0.551 18715 10292 1 17 . 1 1 84 84 VAL H H 84 7.795 7.795 7.759 0.036 18715 10293 1 17 . 1 1 85 85 LEU N N 85 122.040 122.040 120.047 1.993 18715 10294 1 17 . 1 1 85 85 LEU HA H 85 3.815 3.815 4.043 -0.228 18715 10295 1 17 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.109 0.201 18715 10296 1 17 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.853 0.295 18715 10297 1 17 . 1 1 85 85 LEU H H 85 8.163 8.163 8.067 0.096 18715 10298 1 17 . 1 1 86 86 TYR N N 86 118.915 118.915 120.597 -1.682 18715 10299 1 17 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.049 -0.137 18715 10300 1 17 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.262 1.556 18715 10301 1 17 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.839 0.448 18715 10302 1 17 . 1 1 86 86 TYR H H 86 9.062 9.062 7.886 1.176 18715 10303 1 17 . 1 1 87 87 CYS N N 87 116.102 116.102 116.345 -0.243 18715 10304 1 17 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.695 0.099 18715 10305 1 17 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.475 1.491 18715 10306 1 17 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.207 19.350 18715 10307 1 17 . 1 1 87 87 CYS H H 87 7.515 7.515 8.581 -1.066 18715 10308 1 17 . 1 1 88 88 VAL N N 88 119.978 119.978 120.940 -0.962 18715 10309 1 17 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.657 0.221 18715 10310 1 17 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.044 0.402 18715 10311 1 17 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.927 -0.431 18715 10312 1 17 . 1 1 88 88 VAL H H 88 8.448 8.448 7.393 1.055 18715 10313 1 17 . 1 1 89 89 HIS N N 89 118.915 118.915 115.379 3.536 18715 10314 1 17 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.362 0.513 18715 10315 1 17 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.539 -0.419 18715 10316 1 17 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.096 -0.013 18715 10317 1 17 . 1 1 89 89 HIS H H 89 8.797 8.797 7.639 1.158 18715 10318 1 17 . 1 1 90 90 GLN N N 90 116.728 116.728 116.581 0.147 18715 10319 1 17 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.290 0.095 18715 10320 1 17 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.815 -1.526 18715 10321 1 17 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.642 0.310 18715 10322 1 17 . 1 1 90 90 GLN H H 90 7.986 7.986 7.544 0.442 18715 10323 1 17 . 1 1 91 91 ARG N N 91 115.165 115.165 115.689 -0.524 18715 10324 1 17 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.302 -0.289 18715 10325 1 17 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.316 0.867 18715 10326 1 17 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.140 -5.091 18715 10327 1 17 . 1 1 91 91 ARG H H 91 7.883 7.883 8.094 -0.211 18715 10328 1 17 . 1 1 92 92 ILE N N 92 120.087 120.087 122.705 -2.618 18715 10329 1 17 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.028 -0.043 18715 10330 1 17 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.405 -1.749 18715 10331 1 17 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.465 0.465 18715 10332 1 17 . 1 1 92 92 ILE H H 92 8.335 8.335 7.853 0.482 18715 10333 1 17 . 1 1 93 93 ASP N N 93 129.228 129.228 125.690 3.538 18715 10334 1 17 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.789 -0.304 18715 10335 1 17 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.668 2.375 18715 10336 1 17 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.939 -0.543 18715 10337 1 17 . 1 1 93 93 ASP H H 93 8.620 8.620 8.307 0.313 18715 10338 1 17 . 1 1 94 94 VAL N N 94 115.790 115.790 115.824 -0.034 18715 10339 1 17 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.926 0.707 18715 10340 1 17 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.377 -3.257 18715 10341 1 17 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.516 2.996 18715 10342 1 17 . 1 1 94 94 VAL H H 94 7.751 7.751 7.690 0.061 18715 10343 1 17 . 1 1 95 95 LYS N N 95 118.915 118.915 118.585 0.330 18715 10344 1 17 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.406 -0.013 18715 10345 1 17 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.200 -0.529 18715 10346 1 17 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.824 0.184 18715 10347 1 17 . 1 1 95 95 LYS H H 95 9.239 9.239 8.576 0.663 18715 10348 1 17 . 1 1 96 96 ASP N N 96 112.040 112.040 115.055 -3.015 18715 10349 1 17 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.342 0.220 18715 10350 1 17 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.495 0.334 18715 10351 1 17 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.337 1.267 18715 10352 1 17 . 1 1 96 96 ASP H H 96 7.412 7.412 7.664 -0.252 18715 10353 1 17 . 1 1 97 97 THR N N 97 109.540 109.540 115.359 -5.819 18715 10354 1 17 . 1 1 97 97 THR HA H 97 3.661 3.661 3.860 -0.199 18715 10355 1 17 . 1 1 97 97 THR CA C 97 65.947 65.947 67.355 -1.408 18715 10356 1 17 . 1 1 97 97 THR CB C 97 70.285 70.285 68.845 1.440 18715 10357 1 17 . 1 1 97 97 THR H H 97 7.250 7.250 8.435 -1.185 18715 10358 1 17 . 1 1 98 98 LYS N N 98 121.102 121.102 122.180 -1.078 18715 10359 1 17 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.909 0.036 18715 10360 1 17 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.980 -0.352 18715 10361 1 17 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.085 -0.158 18715 10362 1 17 . 1 1 98 98 LYS H H 98 7.868 7.868 8.211 -0.343 18715 10363 1 17 . 1 1 99 99 GLU N N 99 119.228 119.228 118.860 0.368 18715 10364 1 17 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.010 0.067 18715 10365 1 17 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.311 0.484 18715 10366 1 17 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.537 0.709 18715 10367 1 17 . 1 1 99 99 GLU H H 99 8.384 8.384 8.509 -0.125 18715 10368 1 17 . 1 1 100 100 ALA N N 100 118.915 118.915 121.288 -2.373 18715 10369 1 17 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.121 0.265 18715 10370 1 17 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.012 0.384 18715 10371 1 17 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.508 1.251 18715 10372 1 17 . 1 1 100 100 ALA H H 100 7.382 7.382 7.824 -0.442 18715 10373 1 17 . 1 1 101 101 LEU N N 101 117.978 117.978 119.371 -1.393 18715 10374 1 17 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.160 -0.140 18715 10375 1 17 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.614 0.361 18715 10376 1 17 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.275 0.218 18715 10377 1 17 . 1 1 101 101 LEU H H 101 8.119 8.119 7.653 0.466 18715 10378 1 17 . 1 1 102 102 ASP N N 102 120.478 120.478 120.129 0.349 18715 10379 1 17 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.378 -0.011 18715 10380 1 17 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.919 -0.566 18715 10381 1 17 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.910 -1.188 18715 10382 1 17 . 1 1 102 102 ASP H H 102 8.679 8.679 8.308 0.371 18715 10383 1 17 . 1 1 103 103 LYS N N 103 120.165 120.165 119.887 0.278 18715 10384 1 17 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.123 0.041 18715 10385 1 17 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.317 -0.953 18715 10386 1 17 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.431 -0.899 18715 10387 1 17 . 1 1 103 103 LYS H H 103 8.207 8.207 7.980 0.227 18715 10388 1 17 . 1 1 104 104 ILE N N 104 119.852 119.852 119.732 0.120 18715 10389 1 17 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.695 0.115 18715 10390 1 17 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.253 -0.645 18715 10391 1 17 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.974 -0.540 18715 10392 1 17 . 1 1 104 104 ILE H H 104 8.163 8.163 7.542 0.621 18715 10393 1 17 . 1 1 105 105 GLU N N 105 121.415 121.415 120.364 1.051 18715 10394 1 17 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.941 0.094 18715 10395 1 17 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.847 -0.213 18715 10396 1 17 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.466 3.290 18715 10397 1 17 . 1 1 105 105 GLU H H 105 8.001 8.001 8.588 -0.587 18715 10398 1 17 . 1 1 106 106 GLU N N 106 119.228 119.228 119.046 0.182 18715 10399 1 17 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.112 -0.022 18715 10400 1 17 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.102 0.165 18715 10401 1 17 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.778 -0.181 18715 10402 1 17 . 1 1 106 106 GLU H H 106 8.031 8.031 7.644 0.387 18715 10403 1 17 . 1 1 107 107 GLU N N 107 118.915 118.915 118.898 0.017 18715 10404 1 17 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.084 -0.011 18715 10405 1 17 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.394 -0.053 18715 10406 1 17 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.580 0.290 18715 10407 1 17 . 1 1 107 107 GLU H H 107 8.016 8.016 7.956 0.060 18715 10408 1 17 . 1 1 108 108 GLN N N 108 118.290 118.290 118.358 -0.068 18715 10409 1 17 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.164 -0.017 18715 10410 1 17 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.378 0.029 18715 10411 1 17 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.457 0.388 18715 10412 1 17 . 1 1 108 108 GLN H H 108 8.252 8.252 8.314 -0.062 18715 10413 1 17 . 1 1 109 109 ASN N N 109 118.290 118.290 118.400 -0.110 18715 10414 1 17 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.450 0.167 18715 10415 1 17 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.967 -1.085 18715 10416 1 17 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.242 0.283 18715 10417 1 17 . 1 1 109 109 ASN H H 109 8.252 8.252 7.655 0.597 18715 10418 1 17 . 1 1 110 110 LYS N N 110 120.478 120.478 119.227 1.251 18715 10419 1 17 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.134 0.096 18715 10420 1 17 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.730 -0.419 18715 10421 1 17 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.423 0.268 18715 10422 1 17 . 1 1 110 110 LYS H H 110 8.031 8.031 7.554 0.477 18715 10423 1 17 . 1 1 111 111 SER N N 111 114.540 114.540 113.958 0.582 18715 10424 1 17 . 1 1 111 111 SER HA H 111 4.368 4.368 4.397 -0.029 18715 10425 1 17 . 1 1 111 111 SER CA C 111 59.764 59.764 61.050 -1.286 18715 10426 1 17 . 1 1 111 111 SER CB C 111 63.442 63.442 63.590 -0.147 18715 10427 1 17 . 1 1 111 111 SER H H 111 8.031 8.031 7.950 0.081 18715 10428 1 17 . 1 1 112 112 LYS N N 112 122.040 122.040 122.421 -0.381 18715 10429 1 17 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.054 0.191 18715 10430 1 17 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.808 -1.479 18715 10431 1 17 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.403 0.372 18715 10432 1 17 . 1 1 112 112 LYS H H 112 7.957 7.957 7.739 0.218 18715 10433 1 17 . 1 1 113 113 LYS N N 113 120.790 120.790 117.591 3.199 18715 10434 1 17 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.338 -0.188 18715 10435 1 17 . 1 1 113 113 LYS CA C 113 59.134 59.134 56.947 2.187 18715 10436 1 17 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.235 0.531 18715 10437 1 17 . 1 1 113 113 LYS H H 113 8.016 8.016 7.575 0.441 18715 10438 1 17 . 1 1 114 114 LYS N N 114 121.728 121.728 118.546 3.182 18715 10439 1 17 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.482 -0.219 18715 10440 1 17 . 1 1 114 114 LYS CA C 114 57.185 57.185 56.740 0.445 18715 10441 1 17 . 1 1 114 114 LYS CB C 114 32.857 32.857 33.551 -0.694 18715 10442 1 17 . 1 1 114 114 LYS H H 114 8.119 8.119 7.656 0.463 18715 10443 1 17 . 1 1 115 115 ALA N N 115 124.228 124.228 121.966 2.262 18715 10444 1 17 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.614 -0.346 18715 10445 1 17 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.504 0.531 18715 10446 1 17 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.698 -0.659 18715 10447 1 17 . 1 1 115 115 ALA H H 115 8.178 8.178 7.893 0.285 18715 10448 1 17 . 1 1 116 116 GLN N N 116 119.228 119.228 118.140 1.088 18715 10449 1 17 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.519 -0.271 18715 10450 1 17 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.994 0.555 18715 10451 1 17 . 1 1 116 116 GLN H H 116 8.237 8.237 8.317 -0.080 18715 10452 1 17 . 1 1 117 117 GLN N N 117 120.478 120.478 118.704 1.774 18715 10453 1 17 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.314 -0.045 18715 10454 1 17 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.772 -1.448 18715 10455 1 17 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.714 -0.108 18715 10456 1 17 . 1 1 117 117 GLN H H 117 8.266 8.266 8.102 0.164 18715 10457 1 17 . 1 1 118 118 ALA N N 118 124.852 124.852 122.237 2.615 18715 10458 1 17 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.021 0.255 18715 10459 1 17 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.519 -1.681 18715 10460 1 17 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.522 0.540 18715 10461 1 17 . 1 1 118 118 ALA H H 118 8.266 8.266 8.492 -0.226 18715 10462 1 17 . 1 1 119 119 ALA N N 119 122.978 122.978 120.457 2.521 18715 10463 1 17 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.230 0.064 18715 10464 1 17 . 1 1 119 119 ALA CA C 119 52.637 52.637 53.735 -1.098 18715 10465 1 17 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.767 0.434 18715 10466 1 17 . 1 1 119 119 ALA H H 119 8.163 8.163 8.197 -0.034 18715 10467 1 17 . 1 1 120 120 ALA N N 120 122.665 122.665 121.224 1.441 18715 10468 1 17 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.088 0.189 18715 10469 1 17 . 1 1 120 120 ALA CA C 120 52.736 52.736 54.169 -1.433 18715 10470 1 17 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.604 0.563 18715 10471 1 17 . 1 1 120 120 ALA H H 120 8.163 8.163 8.383 -0.220 18715 10472 1 17 . 1 1 121 121 ASP N N 121 119.228 119.228 116.185 3.043 18715 10473 1 17 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.976 -0.294 18715 10474 1 17 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.391 0.873 18715 10475 1 17 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.030 0.098 18715 10476 1 17 . 1 1 121 121 ASP H H 121 8.252 8.252 7.823 0.429 18715 10477 1 17 . 1 1 122 122 THR N N 122 113.602 113.602 111.495 2.107 18715 10478 1 17 . 1 1 122 122 THR HA H 122 4.358 4.358 3.965 0.393 18715 10479 1 17 . 1 1 122 122 THR CA C 122 61.971 61.971 63.442 -1.471 18715 10480 1 17 . 1 1 122 122 THR CB C 122 69.586 69.586 68.331 1.255 18715 10481 1 17 . 1 1 122 122 THR H H 122 8.075 8.075 8.044 0.031 18715 10482 1 17 . 1 1 123 123 GLY N N 123 110.478 110.478 107.570 2.908 18715 10483 1 17 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.335 0.268 18715 10484 1 17 . 1 1 123 123 GLY H H 123 8.414 8.414 8.507 -0.093 18715 10485 1 17 . 1 1 124 124 ASN N N 124 118.602 118.602 119.971 -1.369 18715 10486 1 17 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.822 -0.214 18715 10487 1 17 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.840 1.893 18715 10488 1 17 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.557 -1.019 18715 10489 1 17 . 1 1 124 124 ASN H H 124 8.266 8.266 8.216 0.050 18715 10490 1 17 . 1 1 125 125 ASN N N 125 119.228 119.228 120.052 -0.824 18715 10491 1 17 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.831 -0.107 18715 10492 1 17 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.465 0.988 18715 10493 1 17 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.776 -0.963 18715 10494 1 17 . 1 1 125 125 ASN H H 125 8.443 8.443 8.453 -0.010 18715 10495 1 17 . 1 1 126 126 SER N N 126 115.790 115.790 115.670 0.120 18715 10496 1 17 . 1 1 126 126 SER HA H 126 4.388 4.388 4.740 -0.352 18715 10497 1 17 . 1 1 126 126 SER CA C 126 58.851 58.851 57.884 0.967 18715 10498 1 17 . 1 1 126 126 SER CB C 126 63.926 63.926 63.412 0.514 18715 10499 1 17 . 1 1 126 126 SER H H 126 8.266 8.266 8.502 -0.236 18715 10500 1 17 . 1 1 127 127 GLN N N 127 121.728 121.728 123.602 -1.874 18715 10501 1 17 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.609 -0.286 18715 10502 1 17 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.118 1.105 18715 10503 1 17 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.426 -1.258 18715 10504 1 17 . 1 1 127 127 GLN H H 127 8.355 8.355 8.632 -0.277 18715 10505 1 17 . 1 1 128 128 VAL N N 128 119.852 119.852 118.095 1.757 18715 10506 1 17 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.152 -0.043 18715 10507 1 17 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.182 -0.517 18715 10508 1 17 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.340 0.429 18715 10509 1 17 . 1 1 128 128 VAL H H 128 7.986 7.986 8.274 -0.288 18715 10510 1 17 . 1 1 129 129 SER N N 129 117.978 117.978 116.609 1.369 18715 10511 1 17 . 1 1 129 129 SER HA H 129 4.136 4.136 4.700 -0.564 18715 10512 1 17 . 1 1 129 129 SER CA C 129 58.404 58.404 57.688 0.716 18715 10513 1 17 . 1 1 129 129 SER CB C 129 63.755 63.755 64.128 -0.373 18715 10514 1 17 . 1 1 129 129 SER H H 129 8.252 8.252 8.297 -0.045 18715 10515 1 17 . 1 1 130 130 GLN N N 130 121.728 121.728 119.816 1.912 18715 10516 1 17 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.365 -0.010 18715 10517 1 17 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.958 0.192 18715 10518 1 17 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.234 0.139 18715 10519 1 17 . 1 1 130 130 GLN H H 130 8.355 8.355 8.289 0.066 18715 10520 1 17 . 1 1 131 131 ASN N N 131 118.290 118.290 119.753 -1.463 18715 10521 1 17 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.599 0.033 18715 10522 1 17 . 1 1 131 131 ASN CA C 131 53.568 53.568 54.149 -0.581 18715 10523 1 17 . 1 1 131 131 ASN H H 131 8.252 8.252 8.582 -0.330 18715 10524 1 18 . 1 1 3 3 ALA N N 3 123.842 123.842 124.054 -0.212 18715 10525 1 18 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.788 -0.460 18715 10526 1 18 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.863 -0.326 18715 10527 1 18 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.330 -2.079 18715 10528 1 18 . 1 1 3 3 ALA H H 3 8.183 8.183 8.589 -0.406 18715 10529 1 18 . 1 1 4 4 ARG N N 4 120.165 120.165 119.798 0.367 18715 10530 1 18 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.543 -0.287 18715 10531 1 18 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.164 0.801 18715 10532 1 18 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.495 -0.534 18715 10533 1 18 . 1 1 4 4 ARG H H 4 8.429 8.429 8.215 0.214 18715 10534 1 18 . 1 1 5 5 ALA N N 5 125.165 125.165 124.849 0.316 18715 10535 1 18 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.438 -0.156 18715 10536 1 18 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.994 0.377 18715 10537 1 18 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.143 1.529 18715 10538 1 18 . 1 1 5 5 ALA H H 5 8.370 8.370 8.516 -0.146 18715 10539 1 18 . 1 1 6 6 SER N N 6 114.540 114.540 117.035 -2.495 18715 10540 1 18 . 1 1 6 6 SER HA H 6 4.479 4.479 4.751 -0.272 18715 10541 1 18 . 1 1 6 6 SER CA C 6 57.804 57.804 57.218 0.586 18715 10542 1 18 . 1 1 6 6 SER CB C 6 64.034 64.034 65.198 -1.164 18715 10543 1 18 . 1 1 6 6 SER H H 6 8.134 8.134 7.832 0.302 18715 10544 1 18 . 1 1 7 7 VAL N N 7 121.415 121.415 120.520 0.895 18715 10545 1 18 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.251 -0.634 18715 10546 1 18 . 1 1 7 7 VAL CA C 7 65.711 65.711 62.539 3.172 18715 10547 1 18 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.409 -0.473 18715 10548 1 18 . 1 1 7 7 VAL H H 7 8.119 8.119 8.116 0.003 18715 10549 1 18 . 1 1 8 8 LEU N N 8 115.478 115.478 120.614 -5.136 18715 10550 1 18 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.680 0.252 18715 10551 1 18 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.628 -1.121 18715 10552 1 18 . 1 1 8 8 LEU CB C 8 44.303 44.303 42.400 1.903 18715 10553 1 18 . 1 1 8 8 LEU H H 8 7.382 7.382 7.608 -0.226 18715 10554 1 18 . 1 1 9 9 SER N N 9 118.290 118.290 119.781 -1.491 18715 10555 1 18 . 1 1 9 9 SER HA H 9 4.606 4.606 4.429 0.177 18715 10556 1 18 . 1 1 9 9 SER CA C 9 57.197 57.197 57.527 -0.330 18715 10557 1 18 . 1 1 9 9 SER CB C 9 65.426 65.426 64.927 0.499 18715 10558 1 18 . 1 1 9 9 SER H H 9 9.166 9.166 8.839 0.327 18715 10559 1 18 . 1 1 10 10 GLY N N 10 109.228 109.228 108.554 0.674 18715 10560 1 18 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.921 0.753 18715 10561 1 18 . 1 1 10 10 GLY H H 10 8.959 8.959 8.694 0.265 18715 10562 1 18 . 1 1 11 11 GLY N N 11 111.102 111.102 109.908 1.194 18715 10563 1 18 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.508 0.153 18715 10564 1 18 . 1 1 11 11 GLY H H 11 8.782 8.782 7.828 0.954 18715 10565 1 18 . 1 1 12 12 GLU N N 12 120.165 120.165 122.039 -1.874 18715 10566 1 18 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.084 -0.134 18715 10567 1 18 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.541 0.555 18715 10568 1 18 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.507 1.783 18715 10569 1 18 . 1 1 12 12 GLU H H 12 7.751 7.751 7.577 0.174 18715 10570 1 18 . 1 1 13 13 LEU N N 13 121.415 121.415 121.977 -0.562 18715 10571 1 18 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.038 0.070 18715 10572 1 18 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.272 -0.210 18715 10573 1 18 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.724 -0.788 18715 10574 1 18 . 1 1 13 13 LEU H H 13 8.340 8.340 8.339 0.001 18715 10575 1 18 . 1 1 14 14 ASP N N 14 116.415 116.415 119.289 -2.874 18715 10576 1 18 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.332 0.061 18715 10577 1 18 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.960 -0.824 18715 10578 1 18 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.490 0.596 18715 10579 1 18 . 1 1 14 14 ASP H H 14 7.574 7.574 7.891 -0.317 18715 10580 1 18 . 1 1 15 15 LYS N N 15 115.478 115.478 120.263 -4.785 18715 10581 1 18 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.139 -0.093 18715 10582 1 18 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.371 -0.969 18715 10583 1 18 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.481 -0.122 18715 10584 1 18 . 1 1 15 15 LYS H H 15 7.117 7.117 7.508 -0.391 18715 10585 1 18 . 1 1 16 16 TRP N N 16 121.693 121.693 121.197 0.496 18715 10586 1 18 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.152 -0.127 18715 10587 1 18 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.701 -0.415 18715 10588 1 18 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.569 1.544 18715 10589 1 18 . 1 1 16 16 TRP H H 16 8.646 8.646 8.321 0.325 18715 10590 1 18 . 1 1 17 17 GLU N N 17 127.710 127.710 115.960 11.750 18715 10591 1 18 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.393 0.298 18715 10592 1 18 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.609 -1.840 18715 10593 1 18 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.535 0.210 18715 10594 1 18 . 1 1 17 17 GLU H H 17 7.571 7.571 8.170 -0.599 18715 10595 1 18 . 1 1 18 18 LYS N N 18 115.790 115.790 118.603 -2.813 18715 10596 1 18 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.173 0.324 18715 10597 1 18 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.398 -1.829 18715 10598 1 18 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.199 0.740 18715 10599 1 18 . 1 1 18 18 LYS H H 18 7.456 7.456 7.433 0.023 18715 10600 1 18 . 1 1 19 19 ILE N N 19 124.228 124.228 120.657 3.571 18715 10601 1 18 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.895 -0.338 18715 10602 1 18 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.425 -0.305 18715 10603 1 18 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.627 0.555 18715 10604 1 18 . 1 1 19 19 ILE H H 19 7.633 7.633 8.086 -0.453 18715 10605 1 18 . 1 1 20 20 ARG N N 20 125.790 125.790 125.132 0.658 18715 10606 1 18 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.445 -0.017 18715 10607 1 18 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.936 1.559 18715 10608 1 18 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.762 -0.225 18715 10609 1 18 . 1 1 20 20 ARG H H 20 8.031 8.031 8.286 -0.255 18715 10610 1 18 . 1 1 21 21 LEU N N 21 120.165 120.165 119.932 0.233 18715 10611 1 18 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.814 -0.368 18715 10612 1 18 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.554 1.681 18715 10613 1 18 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.007 -0.472 18715 10614 1 18 . 1 1 21 21 LEU H H 21 7.810 7.810 8.457 -0.647 18715 10615 1 18 . 1 1 22 22 ARG N N 22 119.540 119.540 113.859 5.681 18715 10616 1 18 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.655 0.190 18715 10617 1 18 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.139 -0.295 18715 10618 1 18 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.699 0.918 18715 10619 1 18 . 1 1 22 22 ARG H H 22 8.974 8.974 7.257 1.717 18715 10620 1 18 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.492 -0.132 18715 10621 1 18 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.244 -0.808 18715 10622 1 18 . 1 1 23 23 PRO CB C 23 31.565 31.565 31.978 -0.413 18715 10623 1 18 . 1 1 24 24 GLY N N 24 112.665 112.665 108.545 4.120 18715 10624 1 18 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.416 1.389 18715 10625 1 18 . 1 1 24 24 GLY H H 24 9.138 9.138 8.123 1.015 18715 10626 1 18 . 1 1 25 25 GLY N N 25 107.978 107.978 107.638 0.340 18715 10627 1 18 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.837 -0.265 18715 10628 1 18 . 1 1 25 25 GLY H H 25 8.134 8.134 7.269 0.865 18715 10629 1 18 . 1 1 26 26 LYS N N 26 117.665 117.665 119.994 -2.329 18715 10630 1 18 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.512 -0.248 18715 10631 1 18 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.306 0.547 18715 10632 1 18 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.870 1.186 18715 10633 1 18 . 1 1 26 26 LYS H H 26 8.665 8.665 8.326 0.339 18715 10634 1 18 . 1 1 27 27 LYS N N 27 117.925 117.925 119.164 -1.239 18715 10635 1 18 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.563 -0.252 18715 10636 1 18 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.284 1.927 18715 10637 1 18 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.993 -1.115 18715 10638 1 18 . 1 1 27 27 LYS H H 27 7.817 7.817 7.890 -0.073 18715 10639 1 18 . 1 1 28 28 GLN N N 28 122.978 122.978 117.379 5.599 18715 10640 1 18 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.397 0.419 18715 10641 1 18 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.753 -0.280 18715 10642 1 18 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.869 3.185 18715 10643 1 18 . 1 1 28 28 GLN H H 28 8.458 8.458 8.266 0.192 18715 10644 1 18 . 1 1 29 29 TYR N N 29 119.540 119.540 119.683 -0.143 18715 10645 1 18 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.500 -0.768 18715 10646 1 18 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.911 2.099 18715 10647 1 18 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.512 -2.296 18715 10648 1 18 . 1 1 29 29 TYR H H 29 7.824 7.824 8.640 -0.816 18715 10649 1 18 . 1 1 30 30 LYS N N 30 117.978 117.978 120.902 -2.924 18715 10650 1 18 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.899 0.317 18715 10651 1 18 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.287 -1.222 18715 10652 1 18 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.263 2.325 18715 10653 1 18 . 1 1 30 30 LYS H H 30 10.610 10.610 9.172 1.438 18715 10654 1 18 . 1 1 31 31 LEU N N 31 128.602 128.602 125.212 3.390 18715 10655 1 18 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.110 0.071 18715 10656 1 18 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.250 0.984 18715 10657 1 18 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.717 -0.715 18715 10658 1 18 . 1 1 31 31 LEU H H 31 9.991 9.991 8.871 1.120 18715 10659 1 18 . 1 1 32 32 LYS N N 32 115.165 115.165 118.015 -2.850 18715 10660 1 18 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.938 0.207 18715 10661 1 18 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.691 -0.594 18715 10662 1 18 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.781 -0.222 18715 10663 1 18 . 1 1 32 32 LYS H H 32 8.399 8.399 8.586 -0.187 18715 10664 1 18 . 1 1 33 33 HIS N N 33 119.540 119.540 116.930 2.610 18715 10665 1 18 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.679 -0.075 18715 10666 1 18 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.441 3.450 18715 10667 1 18 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.516 2.268 18715 10668 1 18 . 1 1 33 33 HIS H H 33 8.193 8.193 7.983 0.210 18715 10669 1 18 . 1 1 34 34 ILE N N 34 119.540 119.540 121.008 -1.468 18715 10670 1 18 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.901 -0.107 18715 10671 1 18 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.898 -1.050 18715 10672 1 18 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.712 -0.734 18715 10673 1 18 . 1 1 34 34 ILE H H 34 7.898 7.898 7.570 0.328 18715 10674 1 18 . 1 1 35 35 VAL N N 35 122.040 122.040 119.009 3.031 18715 10675 1 18 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.755 -0.143 18715 10676 1 18 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.920 -0.174 18715 10677 1 18 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.240 0.902 18715 10678 1 18 . 1 1 35 35 VAL H H 35 7.706 7.706 8.479 -0.773 18715 10679 1 18 . 1 1 36 36 TRP N N 36 119.986 119.986 122.198 -2.212 18715 10680 1 18 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.236 -0.003 18715 10681 1 18 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.134 -0.024 18715 10682 1 18 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.221 -0.809 18715 10683 1 18 . 1 1 36 36 TRP H H 36 8.452 8.452 7.696 0.756 18715 10684 1 18 . 1 1 37 37 ALA N N 37 120.478 120.478 120.224 0.254 18715 10685 1 18 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.596 -0.206 18715 10686 1 18 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.247 -0.134 18715 10687 1 18 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.079 -0.649 18715 10688 1 18 . 1 1 37 37 ALA H H 37 8.311 8.311 8.062 0.249 18715 10689 1 18 . 1 1 38 38 SER N N 38 111.415 111.415 113.612 -2.197 18715 10690 1 18 . 1 1 38 38 SER HA H 38 3.906 3.906 4.034 -0.128 18715 10691 1 18 . 1 1 38 38 SER CA C 38 62.801 62.801 61.585 1.216 18715 10692 1 18 . 1 1 38 38 SER CB C 38 62.829 62.829 62.980 -0.151 18715 10693 1 18 . 1 1 38 38 SER H H 38 8.259 8.259 7.820 0.439 18715 10694 1 18 . 1 1 39 39 ARG N N 39 119.852 119.852 121.715 -1.863 18715 10695 1 18 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.033 0.113 18715 10696 1 18 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.699 -0.289 18715 10697 1 18 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.700 0.308 18715 10698 1 18 . 1 1 39 39 ARG H H 39 7.559 7.559 7.343 0.216 18715 10699 1 18 . 1 1 40 40 GLU N N 40 121.102 121.102 119.455 1.647 18715 10700 1 18 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.796 -0.009 18715 10701 1 18 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.727 -0.446 18715 10702 1 18 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.677 0.997 18715 10703 1 18 . 1 1 40 40 GLU H H 40 8.222 8.222 7.536 0.686 18715 10704 1 18 . 1 1 41 41 LEU N N 41 117.040 117.040 120.212 -3.172 18715 10705 1 18 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.074 -0.121 18715 10706 1 18 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.090 0.233 18715 10707 1 18 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.978 -1.798 18715 10708 1 18 . 1 1 41 41 LEU H H 41 8.016 8.016 8.230 -0.214 18715 10709 1 18 . 1 1 42 42 GLU N N 42 117.352 117.352 118.793 -1.441 18715 10710 1 18 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.103 0.024 18715 10711 1 18 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.184 0.387 18715 10712 1 18 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.291 0.374 18715 10713 1 18 . 1 1 42 42 GLU H H 42 7.559 7.559 7.811 -0.252 18715 10714 1 18 . 1 1 43 43 ARG N N 43 119.540 119.540 118.650 0.890 18715 10715 1 18 . 1 1 43 43 ARG HA H 43 4.042 4.042 3.990 0.052 18715 10716 1 18 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.253 0.237 18715 10717 1 18 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.065 -0.400 18715 10718 1 18 . 1 1 43 43 ARG H H 43 7.647 7.647 7.315 0.332 18715 10719 1 18 . 1 1 44 44 PHE N N 44 117.665 117.665 118.039 -0.374 18715 10720 1 18 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.623 -0.010 18715 10721 1 18 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.985 0.373 18715 10722 1 18 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.088 1.078 18715 10723 1 18 . 1 1 44 44 PHE H H 44 7.529 7.529 7.630 -0.101 18715 10724 1 18 . 1 1 45 45 ALA N N 45 118.915 118.915 120.001 -1.086 18715 10725 1 18 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.935 0.080 18715 10726 1 18 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.358 0.056 18715 10727 1 18 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.024 -0.745 18715 10728 1 18 . 1 1 45 45 ALA H H 45 7.928 7.928 7.652 0.276 18715 10729 1 18 . 1 1 46 46 VAL N N 46 119.540 119.540 118.798 0.742 18715 10730 1 18 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.137 -0.042 18715 10731 1 18 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.099 -0.278 18715 10732 1 18 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.122 0.244 18715 10733 1 18 . 1 1 46 46 VAL H H 46 7.765 7.765 7.675 0.090 18715 10734 1 18 . 1 1 47 47 ASN N N 47 125.790 125.790 127.113 -1.323 18715 10735 1 18 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.726 -0.080 18715 10736 1 18 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.860 -1.863 18715 10737 1 18 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.646 0.440 18715 10738 1 18 . 1 1 47 47 ASN H H 47 8.399 8.399 8.887 -0.488 18715 10739 1 18 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.394 -0.172 18715 10740 1 18 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.207 0.107 18715 10741 1 18 . 1 1 48 48 PRO CB C 48 31.740 31.740 32.011 -0.271 18715 10742 1 18 . 1 1 49 49 GLY N N 49 108.290 108.290 106.808 1.482 18715 10743 1 18 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.047 1.483 18715 10744 1 18 . 1 1 49 49 GLY H H 49 8.620 8.620 8.165 0.455 18715 10745 1 18 . 1 1 50 50 LEU N N 50 121.728 121.728 119.443 2.285 18715 10746 1 18 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.510 -0.364 18715 10747 1 18 . 1 1 50 50 LEU CA C 50 57.241 57.241 54.075 3.166 18715 10748 1 18 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.277 0.286 18715 10749 1 18 . 1 1 50 50 LEU H H 50 7.765 7.765 7.280 0.485 18715 10750 1 18 . 1 1 51 51 LEU N N 51 112.040 112.040 116.011 -3.971 18715 10751 1 18 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.570 -0.332 18715 10752 1 18 . 1 1 51 51 LEU CA C 51 56.507 56.507 55.465 1.042 18715 10753 1 18 . 1 1 51 51 LEU CB C 51 42.490 42.490 43.703 -1.213 18715 10754 1 18 . 1 1 51 51 LEU H H 51 7.412 7.412 7.363 0.049 18715 10755 1 18 . 1 1 52 52 GLU N N 52 114.540 114.540 118.163 -3.623 18715 10756 1 18 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.187 -0.132 18715 10757 1 18 . 1 1 52 52 GLU CA C 52 58.384 58.384 57.728 0.655 18715 10758 1 18 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.467 1.591 18715 10759 1 18 . 1 1 52 52 GLU H H 52 7.500 7.500 8.300 -0.800 18715 10760 1 18 . 1 1 53 53 THR N N 53 122.978 122.978 108.872 14.106 18715 10761 1 18 . 1 1 53 53 THR HA H 53 4.402 4.402 4.350 0.052 18715 10762 1 18 . 1 1 53 53 THR CA C 53 58.306 58.306 60.109 -1.803 18715 10763 1 18 . 1 1 53 53 THR CB C 53 73.222 73.222 71.958 1.264 18715 10764 1 18 . 1 1 53 53 THR H H 53 7.235 7.235 7.401 -0.166 18715 10765 1 18 . 1 1 54 54 SER N N 54 119.228 119.228 121.278 -2.050 18715 10766 1 18 . 1 1 54 54 SER HA H 54 4.043 4.043 4.139 -0.096 18715 10767 1 18 . 1 1 54 54 SER CA C 54 62.657 62.657 62.049 0.608 18715 10768 1 18 . 1 1 54 54 SER CB C 54 62.562 62.562 62.671 -0.109 18715 10769 1 18 . 1 1 54 54 SER H H 54 9.313 9.313 8.882 0.431 18715 10770 1 18 . 1 1 55 55 GLU N N 55 121.233 121.233 121.753 -0.520 18715 10771 1 18 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.307 -0.238 18715 10772 1 18 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.785 0.890 18715 10773 1 18 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.228 -0.229 18715 10774 1 18 . 1 1 55 55 GLU H H 55 8.975 8.975 8.433 0.542 18715 10775 1 18 . 1 1 56 56 GLY N N 56 110.790 110.790 107.978 2.812 18715 10776 1 18 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.362 0.504 18715 10777 1 18 . 1 1 56 56 GLY H H 56 8.517 8.517 8.109 0.408 18715 10778 1 18 . 1 1 57 57 CYS N N 57 118.602 118.602 120.279 -1.677 18715 10779 1 18 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.090 -0.070 18715 10780 1 18 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.652 0.950 18715 10781 1 18 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.690 20.105 18715 10782 1 18 . 1 1 57 57 CYS H H 57 8.122 8.122 7.921 0.201 18715 10783 1 18 . 1 1 58 58 ARG N N 58 119.540 119.540 120.328 -0.788 18715 10784 1 18 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.723 -0.173 18715 10785 1 18 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.861 -0.154 18715 10786 1 18 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.910 -0.461 18715 10787 1 18 . 1 1 58 58 ARG H H 58 8.488 8.488 7.670 0.818 18715 10788 1 18 . 1 1 59 59 GLN N N 59 119.852 119.852 117.966 1.886 18715 10789 1 18 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.099 -0.047 18715 10790 1 18 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.737 0.663 18715 10791 1 18 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.588 -0.354 18715 10792 1 18 . 1 1 59 59 GLN H H 59 8.016 8.016 7.630 0.386 18715 10793 1 18 . 1 1 60 60 ILE N N 60 120.790 120.790 120.191 0.599 18715 10794 1 18 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.751 -0.140 18715 10795 1 18 . 1 1 60 60 ILE CA C 60 65.590 65.590 64.873 0.717 18715 10796 1 18 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.064 -0.214 18715 10797 1 18 . 1 1 60 60 ILE H H 60 8.163 8.163 7.496 0.667 18715 10798 1 18 . 1 1 61 61 LEU N N 61 118.915 118.915 120.226 -1.311 18715 10799 1 18 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.119 -0.224 18715 10800 1 18 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.550 1.104 18715 10801 1 18 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.650 -0.874 18715 10802 1 18 . 1 1 61 61 LEU H H 61 8.370 8.370 8.539 -0.169 18715 10803 1 18 . 1 1 62 62 GLY N N 62 104.332 104.332 107.412 -3.080 18715 10804 1 18 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.203 -0.019 18715 10805 1 18 . 1 1 62 62 GLY H H 62 7.883 7.883 8.522 -0.639 18715 10806 1 18 . 1 1 63 63 GLN N N 63 119.852 119.852 118.434 1.418 18715 10807 1 18 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.404 -0.252 18715 10808 1 18 . 1 1 63 63 GLN CA C 63 57.994 57.994 56.799 1.195 18715 10809 1 18 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.664 0.535 18715 10810 1 18 . 1 1 63 63 GLN H H 63 7.795 7.795 7.719 0.076 18715 10811 1 18 . 1 1 64 64 LEU N N 64 117.040 117.040 120.141 -3.101 18715 10812 1 18 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.105 0.176 18715 10813 1 18 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.395 -0.294 18715 10814 1 18 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.896 2.347 18715 10815 1 18 . 1 1 64 64 LEU H H 64 8.252 8.252 7.328 0.924 18715 10816 1 18 . 1 1 65 65 GLN N N 65 118.915 118.915 120.008 -1.093 18715 10817 1 18 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.894 -0.115 18715 10818 1 18 . 1 1 65 65 GLN CA C 65 61.547 61.547 61.081 0.466 18715 10819 1 18 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.824 -0.960 18715 10820 1 18 . 1 1 65 65 GLN H H 65 8.104 8.104 8.575 -0.471 18715 10821 1 18 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.345 0.038 18715 10822 1 18 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.694 1.223 18715 10823 1 18 . 1 1 66 66 PRO CB C 66 31.099 31.099 30.953 0.146 18715 10824 1 18 . 1 1 67 67 SER N N 67 111.415 111.415 114.190 -2.775 18715 10825 1 18 . 1 1 67 67 SER HA H 67 4.493 4.493 4.337 0.156 18715 10826 1 18 . 1 1 67 67 SER CA C 67 59.696 59.696 60.191 -0.495 18715 10827 1 18 . 1 1 67 67 SER CB C 67 64.031 64.031 63.083 0.948 18715 10828 1 18 . 1 1 67 67 SER H H 67 7.824 7.824 7.554 0.270 18715 10829 1 18 . 1 1 68 68 LEU N N 68 121.102 121.102 121.642 -0.540 18715 10830 1 18 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.803 0.013 18715 10831 1 18 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.901 0.047 18715 10832 1 18 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.399 0.370 18715 10833 1 18 . 1 1 68 68 LEU H H 68 7.647 7.647 7.998 -0.351 18715 10834 1 18 . 1 1 69 69 GLN N N 69 116.415 116.415 118.999 -2.584 18715 10835 1 18 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.048 0.021 18715 10836 1 18 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.228 0.242 18715 10837 1 18 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.082 -0.654 18715 10838 1 18 . 1 1 69 69 GLN H H 69 8.060 8.060 8.201 -0.141 18715 10839 1 18 . 1 1 70 70 THR N N 70 106.728 106.728 111.416 -4.688 18715 10840 1 18 . 1 1 70 70 THR HA H 70 4.481 4.481 4.537 -0.056 18715 10841 1 18 . 1 1 70 70 THR CA C 70 61.291 61.291 61.647 -0.356 18715 10842 1 18 . 1 1 70 70 THR CB C 70 69.415 69.415 69.546 -0.131 18715 10843 1 18 . 1 1 70 70 THR H H 70 7.515 7.515 7.754 -0.239 18715 10844 1 18 . 1 1 71 71 GLY N N 71 109.540 109.540 111.466 -1.926 18715 10845 1 18 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.335 1.218 18715 10846 1 18 . 1 1 71 71 GLY H H 71 7.692 7.692 7.473 0.219 18715 10847 1 18 . 1 1 72 72 SER N N 72 114.540 114.540 114.604 -0.064 18715 10848 1 18 . 1 1 72 72 SER HA H 72 4.625 4.625 4.662 -0.037 18715 10849 1 18 . 1 1 72 72 SER CA C 72 57.319 57.319 56.928 0.391 18715 10850 1 18 . 1 1 72 72 SER CB C 72 64.599 64.599 65.455 -0.856 18715 10851 1 18 . 1 1 72 72 SER H H 72 8.045 8.045 7.853 0.192 18715 10852 1 18 . 1 1 73 73 GLU N N 73 124.228 124.228 120.837 3.391 18715 10853 1 18 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.024 0.063 18715 10854 1 18 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.165 -0.785 18715 10855 1 18 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.634 -0.332 18715 10856 1 18 . 1 1 73 73 GLU H H 73 9.092 9.092 9.007 0.085 18715 10857 1 18 . 1 1 74 74 GLU N N 74 120.165 120.165 119.035 1.130 18715 10858 1 18 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.426 -0.137 18715 10859 1 18 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.386 0.842 18715 10860 1 18 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.661 -0.199 18715 10861 1 18 . 1 1 74 74 GLU H H 74 8.665 8.665 7.866 0.799 18715 10862 1 18 . 1 1 75 75 LEU N N 75 121.415 121.415 121.087 0.328 18715 10863 1 18 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.111 0.050 18715 10864 1 18 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.118 -0.165 18715 10865 1 18 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.029 -0.761 18715 10866 1 18 . 1 1 75 75 LEU H H 75 7.765 7.765 7.382 0.383 18715 10867 1 18 . 1 1 76 76 ARG N N 76 119.228 119.228 119.422 -0.194 18715 10868 1 18 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.022 -0.089 18715 10869 1 18 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.071 0.612 18715 10870 1 18 . 1 1 76 76 ARG CB C 76 29.197 29.197 29.831 -0.634 18715 10871 1 18 . 1 1 76 76 ARG H H 76 7.868 7.868 8.507 -0.639 18715 10872 1 18 . 1 1 77 77 SER N N 77 114.228 114.228 116.435 -2.207 18715 10873 1 18 . 1 1 77 77 SER HA H 77 4.263 4.263 4.172 0.091 18715 10874 1 18 . 1 1 77 77 SER CA C 77 62.668 62.668 62.079 0.589 18715 10875 1 18 . 1 1 77 77 SER CB C 77 62.849 62.849 63.095 -0.246 18715 10876 1 18 . 1 1 77 77 SER H H 77 8.576 8.576 8.229 0.347 18715 10877 1 18 . 1 1 78 78 LEU N N 78 125.790 125.790 123.006 2.784 18715 10878 1 18 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.271 0.150 18715 10879 1 18 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.032 0.930 18715 10880 1 18 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.245 0.798 18715 10881 1 18 . 1 1 78 78 LEU H H 78 8.458 8.458 7.898 0.560 18715 10882 1 18 . 1 1 79 79 TYR N N 79 119.852 119.852 119.311 0.541 18715 10883 1 18 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.002 -0.341 18715 10884 1 18 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.051 0.751 18715 10885 1 18 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.156 1.038 18715 10886 1 18 . 1 1 79 79 TYR H H 79 8.694 8.694 8.272 0.422 18715 10887 1 18 . 1 1 80 80 ASN N N 80 117.040 117.040 117.829 -0.789 18715 10888 1 18 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.517 -0.233 18715 10889 1 18 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.393 -0.606 18715 10890 1 18 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.248 -0.409 18715 10891 1 18 . 1 1 80 80 ASN H H 80 8.871 8.871 8.120 0.751 18715 10892 1 18 . 1 1 81 81 THR N N 81 115.790 115.790 118.777 -2.987 18715 10893 1 18 . 1 1 81 81 THR HA H 81 3.945 3.945 4.245 -0.300 18715 10894 1 18 . 1 1 81 81 THR CA C 81 67.855 67.855 67.375 0.480 18715 10895 1 18 . 1 1 81 81 THR CB C 81 69.140 69.140 69.122 0.018 18715 10896 1 18 . 1 1 81 81 THR H H 81 8.119 8.119 8.233 -0.114 18715 10897 1 18 . 1 1 82 82 ILE N N 82 121.102 121.102 121.231 -0.129 18715 10898 1 18 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.729 -0.061 18715 10899 1 18 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.725 -1.205 18715 10900 1 18 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.435 -0.949 18715 10901 1 18 . 1 1 82 82 ILE H H 82 8.090 8.090 8.726 -0.636 18715 10902 1 18 . 1 1 83 83 ALA N N 83 125.165 125.165 121.712 3.453 18715 10903 1 18 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.904 -0.013 18715 10904 1 18 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.243 0.612 18715 10905 1 18 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.894 -0.046 18715 10906 1 18 . 1 1 83 83 ALA H H 83 8.782 8.782 7.718 1.064 18715 10907 1 18 . 1 1 84 84 VAL N N 84 117.665 117.665 119.108 -1.443 18715 10908 1 18 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.673 -0.345 18715 10909 1 18 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.412 1.053 18715 10910 1 18 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.459 -0.764 18715 10911 1 18 . 1 1 84 84 VAL H H 84 7.795 7.795 7.345 0.450 18715 10912 1 18 . 1 1 85 85 LEU N N 85 122.040 122.040 121.129 0.911 18715 10913 1 18 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.949 -0.134 18715 10914 1 18 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.796 -0.486 18715 10915 1 18 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.958 0.190 18715 10916 1 18 . 1 1 85 85 LEU H H 85 8.163 8.163 8.252 -0.089 18715 10917 1 18 . 1 1 86 86 TYR N N 86 118.915 118.915 119.420 -0.505 18715 10918 1 18 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.026 -0.114 18715 10919 1 18 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.560 1.258 18715 10920 1 18 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.258 0.029 18715 10921 1 18 . 1 1 86 86 TYR H H 86 9.062 9.062 8.526 0.536 18715 10922 1 18 . 1 1 87 87 CYS N N 87 116.102 116.102 115.725 0.377 18715 10923 1 18 . 1 1 87 87 CYS HA H 87 3.794 3.794 4.009 -0.215 18715 10924 1 18 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.806 2.160 18715 10925 1 18 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.369 20.188 18715 10926 1 18 . 1 1 87 87 CYS H H 87 7.515 7.515 8.047 -0.532 18715 10927 1 18 . 1 1 88 88 VAL N N 88 119.978 119.978 119.403 0.575 18715 10928 1 18 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.802 0.076 18715 10929 1 18 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.956 0.490 18715 10930 1 18 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.348 0.148 18715 10931 1 18 . 1 1 88 88 VAL H H 88 8.448 8.448 7.496 0.952 18715 10932 1 18 . 1 1 89 89 HIS N N 89 118.915 118.915 113.744 5.171 18715 10933 1 18 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.500 0.375 18715 10934 1 18 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.448 0.672 18715 10935 1 18 . 1 1 89 89 HIS CB C 89 29.083 29.083 28.943 0.140 18715 10936 1 18 . 1 1 89 89 HIS H H 89 8.797 8.797 7.201 1.596 18715 10937 1 18 . 1 1 90 90 GLN N N 90 116.728 116.728 117.688 -0.960 18715 10938 1 18 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.351 0.034 18715 10939 1 18 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.808 0.481 18715 10940 1 18 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.181 1.771 18715 10941 1 18 . 1 1 90 90 GLN H H 90 7.986 7.986 7.301 0.685 18715 10942 1 18 . 1 1 91 91 ARG N N 91 115.165 115.165 115.221 -0.056 18715 10943 1 18 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.858 0.155 18715 10944 1 18 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.507 -0.324 18715 10945 1 18 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.471 -1.422 18715 10946 1 18 . 1 1 91 91 ARG H H 91 7.883 7.883 7.574 0.309 18715 10947 1 18 . 1 1 92 92 ILE N N 92 120.087 120.087 119.589 0.498 18715 10948 1 18 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.130 -0.145 18715 10949 1 18 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.978 -0.322 18715 10950 1 18 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.564 0.366 18715 10951 1 18 . 1 1 92 92 ILE H H 92 8.335 8.335 8.051 0.284 18715 10952 1 18 . 1 1 93 93 ASP N N 93 129.228 129.228 128.212 1.016 18715 10953 1 18 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.822 -0.337 18715 10954 1 18 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.139 1.905 18715 10955 1 18 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.528 -2.132 18715 10956 1 18 . 1 1 93 93 ASP H H 93 8.620 8.620 8.640 -0.020 18715 10957 1 18 . 1 1 94 94 VAL N N 94 115.790 115.790 119.363 -3.573 18715 10958 1 18 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.542 0.091 18715 10959 1 18 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.306 -0.186 18715 10960 1 18 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.373 1.139 18715 10961 1 18 . 1 1 94 94 VAL H H 94 7.751 7.751 8.217 -0.466 18715 10962 1 18 . 1 1 95 95 LYS N N 95 118.915 118.915 119.005 -0.090 18715 10963 1 18 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.344 0.049 18715 10964 1 18 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.257 -0.586 18715 10965 1 18 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.515 0.493 18715 10966 1 18 . 1 1 95 95 LYS H H 95 9.239 9.239 8.780 0.459 18715 10967 1 18 . 1 1 96 96 ASP N N 96 112.040 112.040 114.300 -2.260 18715 10968 1 18 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.325 0.237 18715 10969 1 18 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.771 0.058 18715 10970 1 18 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.185 1.419 18715 10971 1 18 . 1 1 96 96 ASP H H 96 7.412 7.412 7.734 -0.322 18715 10972 1 18 . 1 1 97 97 THR N N 97 109.540 109.540 113.776 -4.236 18715 10973 1 18 . 1 1 97 97 THR HA H 97 3.661 3.661 4.090 -0.429 18715 10974 1 18 . 1 1 97 97 THR CA C 97 65.947 65.947 65.382 0.565 18715 10975 1 18 . 1 1 97 97 THR CB C 97 70.285 70.285 68.850 1.435 18715 10976 1 18 . 1 1 97 97 THR H H 97 7.250 7.250 8.294 -1.044 18715 10977 1 18 . 1 1 98 98 LYS N N 98 121.102 121.102 122.183 -1.081 18715 10978 1 18 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.932 0.013 18715 10979 1 18 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.809 -0.182 18715 10980 1 18 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.141 -0.214 18715 10981 1 18 . 1 1 98 98 LYS H H 98 7.868 7.868 7.939 -0.071 18715 10982 1 18 . 1 1 99 99 GLU N N 99 119.228 119.228 118.618 0.610 18715 10983 1 18 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.023 0.054 18715 10984 1 18 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.548 0.247 18715 10985 1 18 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.549 0.697 18715 10986 1 18 . 1 1 99 99 GLU H H 99 8.384 8.384 8.734 -0.350 18715 10987 1 18 . 1 1 100 100 ALA N N 100 118.915 118.915 121.269 -2.354 18715 10988 1 18 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.140 0.246 18715 10989 1 18 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.902 0.494 18715 10990 1 18 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.417 1.342 18715 10991 1 18 . 1 1 100 100 ALA H H 100 7.382 7.382 7.616 -0.234 18715 10992 1 18 . 1 1 101 101 LEU N N 101 117.978 117.978 119.080 -1.102 18715 10993 1 18 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.082 -0.062 18715 10994 1 18 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.487 0.488 18715 10995 1 18 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.071 0.422 18715 10996 1 18 . 1 1 101 101 LEU H H 101 8.119 8.119 7.756 0.363 18715 10997 1 18 . 1 1 102 102 ASP N N 102 120.478 120.478 119.758 0.720 18715 10998 1 18 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.394 -0.027 18715 10999 1 18 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.609 -0.257 18715 11000 1 18 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.379 -0.657 18715 11001 1 18 . 1 1 102 102 ASP H H 102 8.679 8.679 8.009 0.670 18715 11002 1 18 . 1 1 103 103 LYS N N 103 120.165 120.165 120.751 -0.586 18715 11003 1 18 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.159 0.005 18715 11004 1 18 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.420 -1.056 18715 11005 1 18 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.512 -0.980 18715 11006 1 18 . 1 1 103 103 LYS H H 103 8.207 8.207 7.681 0.526 18715 11007 1 18 . 1 1 104 104 ILE N N 104 119.852 119.852 118.811 1.041 18715 11008 1 18 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.724 0.086 18715 11009 1 18 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.141 -0.533 18715 11010 1 18 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.774 -0.340 18715 11011 1 18 . 1 1 104 104 ILE H H 104 8.163 8.163 7.749 0.414 18715 11012 1 18 . 1 1 105 105 GLU N N 105 121.415 121.415 120.329 1.086 18715 11013 1 18 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.267 -0.232 18715 11014 1 18 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.248 0.386 18715 11015 1 18 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.714 3.042 18715 11016 1 18 . 1 1 105 105 GLU H H 105 8.001 8.001 7.689 0.312 18715 11017 1 18 . 1 1 106 106 GLU N N 106 119.228 119.228 119.417 -0.189 18715 11018 1 18 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.024 0.066 18715 11019 1 18 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.709 -0.442 18715 11020 1 18 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.439 0.158 18715 11021 1 18 . 1 1 106 106 GLU H H 106 8.031 8.031 7.887 0.144 18715 11022 1 18 . 1 1 107 107 GLU N N 107 118.915 118.915 118.508 0.407 18715 11023 1 18 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.076 -0.003 18715 11024 1 18 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.532 -0.191 18715 11025 1 18 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.564 0.306 18715 11026 1 18 . 1 1 107 107 GLU H H 107 8.016 8.016 8.003 0.013 18715 11027 1 18 . 1 1 108 108 GLN N N 108 118.290 118.290 117.126 1.164 18715 11028 1 18 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.186 -0.039 18715 11029 1 18 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.157 0.250 18715 11030 1 18 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.697 0.148 18715 11031 1 18 . 1 1 108 108 GLN H H 108 8.252 8.252 7.645 0.607 18715 11032 1 18 . 1 1 109 109 ASN N N 109 118.290 118.290 119.210 -0.920 18715 11033 1 18 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.540 0.077 18715 11034 1 18 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.056 -1.174 18715 11035 1 18 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.630 -0.105 18715 11036 1 18 . 1 1 109 109 ASN H H 109 8.252 8.252 7.579 0.673 18715 11037 1 18 . 1 1 110 110 LYS N N 110 120.478 120.478 120.128 0.350 18715 11038 1 18 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.017 0.213 18715 11039 1 18 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.598 -1.287 18715 11040 1 18 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.501 0.191 18715 11041 1 18 . 1 1 110 110 LYS H H 110 8.031 8.031 8.128 -0.097 18715 11042 1 18 . 1 1 111 111 SER N N 111 114.540 114.540 113.616 0.924 18715 11043 1 18 . 1 1 111 111 SER HA H 111 4.368 4.368 4.243 0.125 18715 11044 1 18 . 1 1 111 111 SER CA C 111 59.764 59.764 61.250 -1.486 18715 11045 1 18 . 1 1 111 111 SER CB C 111 63.442 63.442 63.094 0.347 18715 11046 1 18 . 1 1 111 111 SER H H 111 8.031 8.031 7.811 0.220 18715 11047 1 18 . 1 1 112 112 LYS N N 112 122.040 122.040 121.205 0.835 18715 11048 1 18 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.053 0.192 18715 11049 1 18 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.127 -1.798 18715 11050 1 18 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.489 0.286 18715 11051 1 18 . 1 1 112 112 LYS H H 112 7.957 7.957 7.537 0.420 18715 11052 1 18 . 1 1 113 113 LYS N N 113 120.790 120.790 119.093 1.697 18715 11053 1 18 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.093 0.057 18715 11054 1 18 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.188 -0.054 18715 11055 1 18 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.281 0.485 18715 11056 1 18 . 1 1 113 113 LYS H H 113 8.016 8.016 7.635 0.381 18715 11057 1 18 . 1 1 114 114 LYS N N 114 121.728 121.728 117.882 3.846 18715 11058 1 18 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.145 0.118 18715 11059 1 18 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.445 -1.260 18715 11060 1 18 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.768 0.089 18715 11061 1 18 . 1 1 114 114 LYS H H 114 8.119 8.119 7.504 0.615 18715 11062 1 18 . 1 1 115 115 ALA N N 115 124.228 124.228 119.879 4.349 18715 11063 1 18 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.517 -0.249 18715 11064 1 18 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.932 1.103 18715 11065 1 18 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.387 0.651 18715 11066 1 18 . 1 1 115 115 ALA H H 115 8.178 8.178 7.394 0.784 18715 11067 1 18 . 1 1 116 116 GLN N N 116 119.228 119.228 117.590 1.638 18715 11068 1 18 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.442 -0.194 18715 11069 1 18 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.119 0.430 18715 11070 1 18 . 1 1 116 116 GLN H H 116 8.237 8.237 7.703 0.534 18715 11071 1 18 . 1 1 117 117 GLN N N 117 120.478 120.478 119.077 1.401 18715 11072 1 18 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.091 0.178 18715 11073 1 18 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.123 -1.799 18715 11074 1 18 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.139 1.467 18715 11075 1 18 . 1 1 117 117 GLN H H 117 8.266 8.266 8.581 -0.315 18715 11076 1 18 . 1 1 118 118 ALA N N 118 124.852 124.852 123.385 1.467 18715 11077 1 18 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.153 0.123 18715 11078 1 18 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.005 -1.167 18715 11079 1 18 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.045 1.017 18715 11080 1 18 . 1 1 118 118 ALA H H 118 8.266 8.266 8.329 -0.063 18715 11081 1 18 . 1 1 119 119 ALA N N 119 122.978 122.978 120.446 2.532 18715 11082 1 18 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.441 -0.147 18715 11083 1 18 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.020 0.617 18715 11084 1 18 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.181 2.020 18715 11085 1 18 . 1 1 119 119 ALA H H 119 8.163 8.163 8.207 -0.044 18715 11086 1 18 . 1 1 120 120 ALA N N 120 122.665 122.665 121.933 0.732 18715 11087 1 18 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.379 -0.102 18715 11088 1 18 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.255 0.481 18715 11089 1 18 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.104 -0.937 18715 11090 1 18 . 1 1 120 120 ALA H H 120 8.163 8.163 7.404 0.759 18715 11091 1 18 . 1 1 121 121 ASP N N 121 119.228 119.228 120.698 -1.470 18715 11092 1 18 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.835 -0.153 18715 11093 1 18 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.262 0.002 18715 11094 1 18 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.427 -0.299 18715 11095 1 18 . 1 1 121 121 ASP H H 121 8.252 8.252 8.410 -0.158 18715 11096 1 18 . 1 1 122 122 THR N N 122 113.602 113.602 114.268 -0.666 18715 11097 1 18 . 1 1 122 122 THR HA H 122 4.358 4.358 4.250 0.108 18715 11098 1 18 . 1 1 122 122 THR CA C 122 61.971 61.971 62.642 -0.671 18715 11099 1 18 . 1 1 122 122 THR CB C 122 69.586 69.586 69.254 0.332 18715 11100 1 18 . 1 1 122 122 THR H H 122 8.075 8.075 7.984 0.091 18715 11101 1 18 . 1 1 123 123 GLY N N 123 110.478 110.478 113.966 -3.488 18715 11102 1 18 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.957 0.646 18715 11103 1 18 . 1 1 123 123 GLY H H 123 8.414 8.414 8.737 -0.323 18715 11104 1 18 . 1 1 124 124 ASN N N 124 118.602 118.602 119.557 -0.955 18715 11105 1 18 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.671 -0.063 18715 11106 1 18 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.584 2.149 18715 11107 1 18 . 1 1 124 124 ASN CB C 124 38.538 38.538 41.354 -2.816 18715 11108 1 18 . 1 1 124 124 ASN H H 124 8.266 8.266 8.073 0.193 18715 11109 1 18 . 1 1 125 125 ASN N N 125 119.228 119.228 119.030 0.198 18715 11110 1 18 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.688 0.036 18715 11111 1 18 . 1 1 125 125 ASN CA C 125 53.453 53.453 54.248 -0.795 18715 11112 1 18 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.437 0.376 18715 11113 1 18 . 1 1 125 125 ASN H H 125 8.443 8.443 8.447 -0.004 18715 11114 1 18 . 1 1 126 126 SER N N 126 115.790 115.790 119.461 -3.671 18715 11115 1 18 . 1 1 126 126 SER HA H 126 4.388 4.388 4.592 -0.204 18715 11116 1 18 . 1 1 126 126 SER CA C 126 58.851 58.851 57.308 1.543 18715 11117 1 18 . 1 1 126 126 SER CB C 126 63.926 63.926 64.778 -0.852 18715 11118 1 18 . 1 1 126 126 SER H H 126 8.266 8.266 8.144 0.122 18715 11119 1 18 . 1 1 127 127 GLN N N 127 121.728 121.728 121.408 0.320 18715 11120 1 18 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.404 -0.081 18715 11121 1 18 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.946 0.278 18715 11122 1 18 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.151 0.017 18715 11123 1 18 . 1 1 127 127 GLN H H 127 8.355 8.355 8.320 0.035 18715 11124 1 18 . 1 1 128 128 VAL N N 128 119.852 119.852 122.824 -2.972 18715 11125 1 18 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.355 -0.246 18715 11126 1 18 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.613 1.052 18715 11127 1 18 . 1 1 128 128 VAL CB C 128 32.769 32.769 34.262 -1.493 18715 11128 1 18 . 1 1 128 128 VAL H H 128 7.986 7.986 8.255 -0.269 18715 11129 1 18 . 1 1 129 129 SER N N 129 117.978 117.978 120.688 -2.710 18715 11130 1 18 . 1 1 129 129 SER HA H 129 4.136 4.136 4.733 -0.597 18715 11131 1 18 . 1 1 129 129 SER CA C 129 58.404 58.404 57.360 1.044 18715 11132 1 18 . 1 1 129 129 SER CB C 129 63.755 63.755 64.024 -0.269 18715 11133 1 18 . 1 1 129 129 SER H H 129 8.252 8.252 8.445 -0.193 18715 11134 1 18 . 1 1 130 130 GLN N N 130 121.728 121.728 124.737 -3.009 18715 11135 1 18 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.481 -0.126 18715 11136 1 18 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.448 0.702 18715 11137 1 18 . 1 1 130 130 GLN CB C 130 29.373 29.373 27.632 1.741 18715 11138 1 18 . 1 1 130 130 GLN H H 130 8.355 8.355 8.974 -0.619 18715 11139 1 18 . 1 1 131 131 ASN N N 131 118.290 118.290 116.651 1.639 18715 11140 1 18 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.736 -0.104 18715 11141 1 18 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.328 1.240 18715 11142 1 18 . 1 1 131 131 ASN H H 131 8.252 8.252 7.621 0.631 18715 11143 1 19 . 1 1 3 3 ALA N N 3 123.842 123.842 124.835 -0.993 18715 11144 1 19 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.388 -0.060 18715 11145 1 19 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.819 0.718 18715 11146 1 19 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.942 -2.691 18715 11147 1 19 . 1 1 3 3 ALA H H 3 8.183 8.183 8.225 -0.042 18715 11148 1 19 . 1 1 4 4 ARG N N 4 120.165 120.165 122.072 -1.907 18715 11149 1 19 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.098 0.158 18715 11150 1 19 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.597 -0.632 18715 11151 1 19 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.633 1.328 18715 11152 1 19 . 1 1 4 4 ARG H H 4 8.429 8.429 8.534 -0.105 18715 11153 1 19 . 1 1 5 5 ALA N N 5 125.165 125.165 129.224 -4.059 18715 11154 1 19 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.622 -0.340 18715 11155 1 19 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.524 0.847 18715 11156 1 19 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.115 -0.443 18715 11157 1 19 . 1 1 5 5 ALA H H 5 8.370 8.370 8.530 -0.160 18715 11158 1 19 . 1 1 6 6 SER N N 6 114.540 114.540 118.406 -3.866 18715 11159 1 19 . 1 1 6 6 SER HA H 6 4.479 4.479 4.619 -0.140 18715 11160 1 19 . 1 1 6 6 SER CA C 6 57.804 57.804 57.825 -0.021 18715 11161 1 19 . 1 1 6 6 SER CB C 6 64.034 64.034 63.880 0.154 18715 11162 1 19 . 1 1 6 6 SER H H 6 8.134 8.134 8.254 -0.120 18715 11163 1 19 . 1 1 7 7 VAL N N 7 121.415 121.415 124.539 -3.124 18715 11164 1 19 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.159 -0.542 18715 11165 1 19 . 1 1 7 7 VAL CA C 7 65.711 65.711 62.395 3.316 18715 11166 1 19 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.542 -0.606 18715 11167 1 19 . 1 1 7 7 VAL H H 7 8.119 8.119 8.514 -0.395 18715 11168 1 19 . 1 1 8 8 LEU N N 8 115.478 115.478 119.536 -4.058 18715 11169 1 19 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.593 0.339 18715 11170 1 19 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.822 -1.315 18715 11171 1 19 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.221 1.083 18715 11172 1 19 . 1 1 8 8 LEU H H 8 7.382 7.382 7.715 -0.333 18715 11173 1 19 . 1 1 9 9 SER N N 9 118.290 118.290 117.756 0.534 18715 11174 1 19 . 1 1 9 9 SER HA H 9 4.606 4.606 4.671 -0.065 18715 11175 1 19 . 1 1 9 9 SER CA C 9 57.197 57.197 57.465 -0.268 18715 11176 1 19 . 1 1 9 9 SER CB C 9 65.426 65.426 65.717 -0.291 18715 11177 1 19 . 1 1 9 9 SER H H 9 9.166 9.166 8.797 0.369 18715 11178 1 19 . 1 1 10 10 GLY N N 10 109.228 109.228 108.725 0.503 18715 11179 1 19 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.002 0.672 18715 11180 1 19 . 1 1 10 10 GLY H H 10 8.959 8.959 8.650 0.309 18715 11181 1 19 . 1 1 11 11 GLY N N 11 111.102 111.102 109.887 1.215 18715 11182 1 19 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.446 0.215 18715 11183 1 19 . 1 1 11 11 GLY H H 11 8.782 8.782 7.836 0.946 18715 11184 1 19 . 1 1 12 12 GLU N N 12 120.165 120.165 122.097 -1.932 18715 11185 1 19 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.044 -0.094 18715 11186 1 19 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.638 0.458 18715 11187 1 19 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.549 1.741 18715 11188 1 19 . 1 1 12 12 GLU H H 12 7.751 7.751 7.520 0.231 18715 11189 1 19 . 1 1 13 13 LEU N N 13 121.415 121.415 121.766 -0.351 18715 11190 1 19 . 1 1 13 13 LEU HA H 13 4.108 4.108 3.998 0.110 18715 11191 1 19 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.458 -0.396 18715 11192 1 19 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.852 -0.916 18715 11193 1 19 . 1 1 13 13 LEU H H 13 8.340 8.340 8.431 -0.091 18715 11194 1 19 . 1 1 14 14 ASP N N 14 116.415 116.415 118.896 -2.481 18715 11195 1 19 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.365 0.028 18715 11196 1 19 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.491 -0.355 18715 11197 1 19 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.706 0.379 18715 11198 1 19 . 1 1 14 14 ASP H H 14 7.574 7.574 7.762 -0.188 18715 11199 1 19 . 1 1 15 15 LYS N N 15 115.478 115.478 120.064 -4.586 18715 11200 1 19 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.109 -0.063 18715 11201 1 19 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.337 -0.936 18715 11202 1 19 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.341 0.018 18715 11203 1 19 . 1 1 15 15 LYS H H 15 7.117 7.117 7.450 -0.333 18715 11204 1 19 . 1 1 16 16 TRP N N 16 121.693 121.693 121.123 0.570 18715 11205 1 19 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.090 -0.065 18715 11206 1 19 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.901 -0.616 18715 11207 1 19 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.481 1.632 18715 11208 1 19 . 1 1 16 16 TRP H H 16 8.646 8.646 8.659 -0.013 18715 11209 1 19 . 1 1 17 17 GLU N N 17 127.710 127.710 115.698 12.012 18715 11210 1 19 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.376 0.315 18715 11211 1 19 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.509 -1.740 18715 11212 1 19 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.495 0.250 18715 11213 1 19 . 1 1 17 17 GLU H H 17 7.571 7.571 8.035 -0.464 18715 11214 1 19 . 1 1 18 18 LYS N N 18 115.790 115.790 118.827 -3.037 18715 11215 1 19 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.186 0.311 18715 11216 1 19 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.552 -1.983 18715 11217 1 19 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.385 0.554 18715 11218 1 19 . 1 1 18 18 LYS H H 18 7.456 7.456 7.547 -0.091 18715 11219 1 19 . 1 1 19 19 ILE N N 19 124.228 124.228 119.789 4.439 18715 11220 1 19 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.731 -0.174 18715 11221 1 19 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.354 -0.234 18715 11222 1 19 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.559 0.623 18715 11223 1 19 . 1 1 19 19 ILE H H 19 7.633 7.633 8.003 -0.370 18715 11224 1 19 . 1 1 20 20 ARG N N 20 125.790 125.790 124.957 0.833 18715 11225 1 19 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.513 -0.085 18715 11226 1 19 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.491 1.004 18715 11227 1 19 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.779 -0.242 18715 11228 1 19 . 1 1 20 20 ARG H H 20 8.031 8.031 7.855 0.176 18715 11229 1 19 . 1 1 21 21 LEU N N 21 120.165 120.165 120.851 -0.686 18715 11230 1 19 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.783 -0.337 18715 11231 1 19 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.136 1.099 18715 11232 1 19 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.048 -0.513 18715 11233 1 19 . 1 1 21 21 LEU H H 21 7.810 7.810 8.075 -0.265 18715 11234 1 19 . 1 1 22 22 ARG N N 22 119.540 119.540 115.080 4.460 18715 11235 1 19 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.681 0.164 18715 11236 1 19 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.730 -0.886 18715 11237 1 19 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.528 -0.911 18715 11238 1 19 . 1 1 22 22 ARG H H 22 8.974 8.974 7.645 1.329 18715 11239 1 19 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.565 -0.205 18715 11240 1 19 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.114 -0.678 18715 11241 1 19 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.330 -0.764 18715 11242 1 19 . 1 1 24 24 GLY N N 24 112.665 112.665 106.720 5.945 18715 11243 1 19 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.677 1.128 18715 11244 1 19 . 1 1 24 24 GLY H H 24 9.138 9.138 8.093 1.045 18715 11245 1 19 . 1 1 25 25 GLY N N 25 107.978 107.978 107.479 0.499 18715 11246 1 19 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.355 0.217 18715 11247 1 19 . 1 1 25 25 GLY H H 25 8.134 8.134 7.317 0.817 18715 11248 1 19 . 1 1 26 26 LYS N N 26 117.665 117.665 118.523 -0.858 18715 11249 1 19 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.395 -0.131 18715 11250 1 19 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.009 0.844 18715 11251 1 19 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.699 0.357 18715 11252 1 19 . 1 1 26 26 LYS H H 26 8.665 8.665 8.295 0.370 18715 11253 1 19 . 1 1 27 27 LYS N N 27 117.925 117.925 122.773 -4.848 18715 11254 1 19 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.107 0.204 18715 11255 1 19 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.733 0.478 18715 11256 1 19 . 1 1 27 27 LYS CB C 27 33.878 33.878 32.911 0.967 18715 11257 1 19 . 1 1 27 27 LYS H H 27 7.817 7.817 7.827 -0.010 18715 11258 1 19 . 1 1 28 28 GLN N N 28 122.978 122.978 123.333 -0.355 18715 11259 1 19 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.385 0.431 18715 11260 1 19 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.491 -1.018 18715 11261 1 19 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.057 3.997 18715 11262 1 19 . 1 1 28 28 GLN H H 28 8.458 8.458 8.213 0.245 18715 11263 1 19 . 1 1 29 29 TYR N N 29 119.540 119.540 119.697 -0.157 18715 11264 1 19 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.475 -0.743 18715 11265 1 19 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.721 2.289 18715 11266 1 19 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.548 -2.332 18715 11267 1 19 . 1 1 29 29 TYR H H 29 7.824 7.824 8.464 -0.640 18715 11268 1 19 . 1 1 30 30 LYS N N 30 117.978 117.978 120.718 -2.740 18715 11269 1 19 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.853 0.363 18715 11270 1 19 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.055 -0.990 18715 11271 1 19 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.945 2.643 18715 11272 1 19 . 1 1 30 30 LYS H H 30 10.610 10.610 9.206 1.404 18715 11273 1 19 . 1 1 31 31 LEU N N 31 128.602 128.602 125.418 3.184 18715 11274 1 19 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.142 0.039 18715 11275 1 19 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.995 1.240 18715 11276 1 19 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.743 -0.741 18715 11277 1 19 . 1 1 31 31 LEU H H 31 9.991 9.991 8.885 1.106 18715 11278 1 19 . 1 1 32 32 LYS N N 32 115.165 115.165 118.302 -3.137 18715 11279 1 19 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.923 0.222 18715 11280 1 19 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.646 -0.549 18715 11281 1 19 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.865 -0.306 18715 11282 1 19 . 1 1 32 32 LYS H H 32 8.399 8.399 8.612 -0.213 18715 11283 1 19 . 1 1 33 33 HIS N N 33 119.540 119.540 117.434 2.106 18715 11284 1 19 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.724 -0.120 18715 11285 1 19 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.506 3.385 18715 11286 1 19 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.653 2.131 18715 11287 1 19 . 1 1 33 33 HIS H H 33 8.193 8.193 7.950 0.243 18715 11288 1 19 . 1 1 34 34 ILE N N 34 119.540 119.540 121.031 -1.491 18715 11289 1 19 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.762 0.032 18715 11290 1 19 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.351 -1.503 18715 11291 1 19 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.719 -0.740 18715 11292 1 19 . 1 1 34 34 ILE H H 34 7.898 7.898 7.603 0.295 18715 11293 1 19 . 1 1 35 35 VAL N N 35 122.040 122.040 119.841 2.199 18715 11294 1 19 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.638 -0.026 18715 11295 1 19 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.752 -0.006 18715 11296 1 19 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.834 0.308 18715 11297 1 19 . 1 1 35 35 VAL H H 35 7.706 7.706 8.631 -0.925 18715 11298 1 19 . 1 1 36 36 TRP N N 36 119.986 119.986 122.224 -2.238 18715 11299 1 19 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.247 -0.014 18715 11300 1 19 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.923 0.187 18715 11301 1 19 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.478 -1.066 18715 11302 1 19 . 1 1 36 36 TRP H H 36 8.452 8.452 7.736 0.716 18715 11303 1 19 . 1 1 37 37 ALA N N 37 120.478 120.478 120.297 0.181 18715 11304 1 19 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.682 -0.292 18715 11305 1 19 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.225 -0.112 18715 11306 1 19 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.340 -0.910 18715 11307 1 19 . 1 1 37 37 ALA H H 37 8.311 8.311 8.431 -0.120 18715 11308 1 19 . 1 1 38 38 SER N N 38 111.415 111.415 114.530 -3.115 18715 11309 1 19 . 1 1 38 38 SER HA H 38 3.906 3.906 3.984 -0.078 18715 11310 1 19 . 1 1 38 38 SER CA C 38 62.801 62.801 61.422 1.379 18715 11311 1 19 . 1 1 38 38 SER CB C 38 62.829 62.829 63.089 -0.260 18715 11312 1 19 . 1 1 38 38 SER H H 38 8.259 8.259 7.792 0.467 18715 11313 1 19 . 1 1 39 39 ARG N N 39 119.852 119.852 121.836 -1.984 18715 11314 1 19 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.922 0.224 18715 11315 1 19 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.218 -0.808 18715 11316 1 19 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.186 -0.177 18715 11317 1 19 . 1 1 39 39 ARG H H 39 7.559 7.559 7.417 0.142 18715 11318 1 19 . 1 1 40 40 GLU N N 40 121.102 121.102 119.474 1.628 18715 11319 1 19 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.568 0.219 18715 11320 1 19 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.946 -0.665 18715 11321 1 19 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.529 1.145 18715 11322 1 19 . 1 1 40 40 GLU H H 40 8.222 8.222 7.525 0.697 18715 11323 1 19 . 1 1 41 41 LEU N N 41 117.040 117.040 119.776 -2.736 18715 11324 1 19 . 1 1 41 41 LEU HA H 41 3.953 3.953 3.984 -0.031 18715 11325 1 19 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.893 0.430 18715 11326 1 19 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.814 -1.634 18715 11327 1 19 . 1 1 41 41 LEU H H 41 8.016 8.016 8.131 -0.115 18715 11328 1 19 . 1 1 42 42 GLU N N 42 117.352 117.352 118.628 -1.276 18715 11329 1 19 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.000 0.127 18715 11330 1 19 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.176 0.395 18715 11331 1 19 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.123 0.541 18715 11332 1 19 . 1 1 42 42 GLU H H 42 7.559 7.559 7.589 -0.030 18715 11333 1 19 . 1 1 43 43 ARG N N 43 119.540 119.540 118.675 0.865 18715 11334 1 19 . 1 1 43 43 ARG HA H 43 4.042 4.042 3.989 0.053 18715 11335 1 19 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.416 0.074 18715 11336 1 19 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.017 -0.352 18715 11337 1 19 . 1 1 43 43 ARG H H 43 7.647 7.647 7.197 0.450 18715 11338 1 19 . 1 1 44 44 PHE N N 44 117.665 117.665 118.013 -0.348 18715 11339 1 19 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.682 -0.068 18715 11340 1 19 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.057 1.301 18715 11341 1 19 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.024 1.142 18715 11342 1 19 . 1 1 44 44 PHE H H 44 7.529 7.529 7.511 0.018 18715 11343 1 19 . 1 1 45 45 ALA N N 45 118.915 118.915 120.087 -1.172 18715 11344 1 19 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.933 0.082 18715 11345 1 19 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.364 0.051 18715 11346 1 19 . 1 1 45 45 ALA CB C 45 16.279 16.279 17.045 -0.766 18715 11347 1 19 . 1 1 45 45 ALA H H 45 7.928 7.928 7.742 0.186 18715 11348 1 19 . 1 1 46 46 VAL N N 46 119.540 119.540 118.783 0.757 18715 11349 1 19 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.135 -0.040 18715 11350 1 19 . 1 1 46 46 VAL CA C 46 60.821 60.821 61.144 -0.323 18715 11351 1 19 . 1 1 46 46 VAL CB C 46 33.366 33.366 32.708 0.658 18715 11352 1 19 . 1 1 46 46 VAL H H 46 7.765 7.765 7.662 0.103 18715 11353 1 19 . 1 1 47 47 ASN N N 47 125.790 125.790 127.329 -1.539 18715 11354 1 19 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.705 -0.059 18715 11355 1 19 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.406 -1.409 18715 11356 1 19 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.971 0.115 18715 11357 1 19 . 1 1 47 47 ASN H H 47 8.399 8.399 8.888 -0.489 18715 11358 1 19 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.404 -0.182 18715 11359 1 19 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.579 -0.264 18715 11360 1 19 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.903 -0.163 18715 11361 1 19 . 1 1 49 49 GLY N N 49 108.290 108.290 107.360 0.930 18715 11362 1 19 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.051 0.479 18715 11363 1 19 . 1 1 49 49 GLY H H 49 8.620 8.620 8.351 0.269 18715 11364 1 19 . 1 1 50 50 LEU N N 50 121.728 121.728 119.843 1.885 18715 11365 1 19 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.286 -0.140 18715 11366 1 19 . 1 1 50 50 LEU CA C 50 57.241 57.241 56.190 1.051 18715 11367 1 19 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.087 -0.524 18715 11368 1 19 . 1 1 50 50 LEU H H 50 7.765 7.765 7.350 0.415 18715 11369 1 19 . 1 1 51 51 LEU N N 51 112.040 112.040 118.282 -6.242 18715 11370 1 19 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.237 0.000 18715 11371 1 19 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.423 0.084 18715 11372 1 19 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.460 0.030 18715 11373 1 19 . 1 1 51 51 LEU H H 51 7.412 7.412 7.475 -0.063 18715 11374 1 19 . 1 1 52 52 GLU N N 52 114.540 114.540 113.852 0.688 18715 11375 1 19 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.290 -0.235 18715 11376 1 19 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.456 2.928 18715 11377 1 19 . 1 1 52 52 GLU CB C 52 31.058 31.058 28.881 2.177 18715 11378 1 19 . 1 1 52 52 GLU H H 52 7.500 7.500 7.523 -0.023 18715 11379 1 19 . 1 1 53 53 THR N N 53 122.978 122.978 114.037 8.941 18715 11380 1 19 . 1 1 53 53 THR HA H 53 4.402 4.402 4.281 0.121 18715 11381 1 19 . 1 1 53 53 THR CA C 53 58.306 58.306 59.957 -1.651 18715 11382 1 19 . 1 1 53 53 THR CB C 53 73.222 73.222 70.548 2.674 18715 11383 1 19 . 1 1 53 53 THR H H 53 7.235 7.235 7.278 -0.043 18715 11384 1 19 . 1 1 54 54 SER N N 54 119.228 119.228 123.269 -4.041 18715 11385 1 19 . 1 1 54 54 SER HA H 54 4.043 4.043 4.261 -0.218 18715 11386 1 19 . 1 1 54 54 SER CA C 54 62.657 62.657 60.990 1.667 18715 11387 1 19 . 1 1 54 54 SER CB C 54 62.562 62.562 63.097 -0.535 18715 11388 1 19 . 1 1 54 54 SER H H 54 9.313 9.313 8.790 0.523 18715 11389 1 19 . 1 1 55 55 GLU N N 55 121.233 121.233 121.032 0.201 18715 11390 1 19 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.383 -0.314 18715 11391 1 19 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.650 1.025 18715 11392 1 19 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.735 -0.736 18715 11393 1 19 . 1 1 55 55 GLU H H 55 8.975 8.975 7.649 1.326 18715 11394 1 19 . 1 1 56 56 GLY N N 56 110.790 110.790 108.182 2.608 18715 11395 1 19 . 1 1 56 56 GLY CA C 56 47.866 47.866 46.901 0.966 18715 11396 1 19 . 1 1 56 56 GLY H H 56 8.517 8.517 8.168 0.350 18715 11397 1 19 . 1 1 57 57 CYS N N 57 118.602 118.602 119.813 -1.211 18715 11398 1 19 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.235 -0.215 18715 11399 1 19 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.207 1.395 18715 11400 1 19 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.557 20.238 18715 11401 1 19 . 1 1 57 57 CYS H H 57 8.122 8.122 8.026 0.096 18715 11402 1 19 . 1 1 58 58 ARG N N 58 119.540 119.540 119.655 -0.115 18715 11403 1 19 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.832 -0.282 18715 11404 1 19 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.451 0.256 18715 11405 1 19 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.801 -0.352 18715 11406 1 19 . 1 1 58 58 ARG H H 58 8.488 8.488 7.725 0.763 18715 11407 1 19 . 1 1 59 59 GLN N N 59 119.852 119.852 117.106 2.746 18715 11408 1 19 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.149 -0.097 18715 11409 1 19 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.586 0.814 18715 11410 1 19 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.068 0.166 18715 11411 1 19 . 1 1 59 59 GLN H H 59 8.016 8.016 7.661 0.355 18715 11412 1 19 . 1 1 60 60 ILE N N 60 120.790 120.790 120.032 0.758 18715 11413 1 19 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.738 -0.127 18715 11414 1 19 . 1 1 60 60 ILE CA C 60 65.590 65.590 64.805 0.785 18715 11415 1 19 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.969 -0.119 18715 11416 1 19 . 1 1 60 60 ILE H H 60 8.163 8.163 7.787 0.376 18715 11417 1 19 . 1 1 61 61 LEU N N 61 118.915 118.915 119.843 -0.928 18715 11418 1 19 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.092 -0.197 18715 11419 1 19 . 1 1 61 61 LEU CA C 61 58.654 58.654 58.105 0.548 18715 11420 1 19 . 1 1 61 61 LEU CB C 61 40.776 40.776 40.995 -0.219 18715 11421 1 19 . 1 1 61 61 LEU H H 61 8.370 8.370 7.715 0.655 18715 11422 1 19 . 1 1 62 62 GLY N N 62 104.332 104.332 106.020 -1.688 18715 11423 1 19 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.003 0.181 18715 11424 1 19 . 1 1 62 62 GLY H H 62 7.883 7.883 8.061 -0.178 18715 11425 1 19 . 1 1 63 63 GLN N N 63 119.852 119.852 119.000 0.852 18715 11426 1 19 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.547 -0.395 18715 11427 1 19 . 1 1 63 63 GLN CA C 63 57.994 57.994 56.523 1.471 18715 11428 1 19 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.340 -0.141 18715 11429 1 19 . 1 1 63 63 GLN H H 63 7.795 7.795 7.983 -0.188 18715 11430 1 19 . 1 1 64 64 LEU N N 64 117.040 117.040 121.815 -4.775 18715 11431 1 19 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.011 0.270 18715 11432 1 19 . 1 1 64 64 LEU CA C 64 56.101 56.101 57.398 -1.297 18715 11433 1 19 . 1 1 64 64 LEU CB C 64 44.243 44.243 42.011 2.232 18715 11434 1 19 . 1 1 64 64 LEU H H 64 8.252 8.252 8.041 0.211 18715 11435 1 19 . 1 1 65 65 GLN N N 65 118.915 118.915 119.608 -0.693 18715 11436 1 19 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.910 -0.131 18715 11437 1 19 . 1 1 65 65 GLN CA C 65 61.547 61.547 61.131 0.416 18715 11438 1 19 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.847 -0.983 18715 11439 1 19 . 1 1 65 65 GLN H H 65 8.104 8.104 8.548 -0.444 18715 11440 1 19 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.332 0.051 18715 11441 1 19 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.734 1.183 18715 11442 1 19 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.173 -0.074 18715 11443 1 19 . 1 1 67 67 SER N N 67 111.415 111.415 114.243 -2.828 18715 11444 1 19 . 1 1 67 67 SER HA H 67 4.493 4.493 4.320 0.173 18715 11445 1 19 . 1 1 67 67 SER CA C 67 59.696 59.696 60.486 -0.790 18715 11446 1 19 . 1 1 67 67 SER CB C 67 64.031 64.031 63.125 0.906 18715 11447 1 19 . 1 1 67 67 SER H H 67 7.824 7.824 7.414 0.410 18715 11448 1 19 . 1 1 68 68 LEU N N 68 121.102 121.102 122.104 -1.002 18715 11449 1 19 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.781 0.035 18715 11450 1 19 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.076 -0.128 18715 11451 1 19 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.343 0.426 18715 11452 1 19 . 1 1 68 68 LEU H H 68 7.647 7.647 7.997 -0.350 18715 11453 1 19 . 1 1 69 69 GLN N N 69 116.415 116.415 119.366 -2.951 18715 11454 1 19 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.041 0.028 18715 11455 1 19 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.327 0.143 18715 11456 1 19 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.898 -0.470 18715 11457 1 19 . 1 1 69 69 GLN H H 69 8.060 8.060 8.306 -0.246 18715 11458 1 19 . 1 1 70 70 THR N N 70 106.728 106.728 112.374 -5.646 18715 11459 1 19 . 1 1 70 70 THR HA H 70 4.481 4.481 4.540 -0.059 18715 11460 1 19 . 1 1 70 70 THR CA C 70 61.291 61.291 61.475 -0.184 18715 11461 1 19 . 1 1 70 70 THR CB C 70 69.415 69.415 69.204 0.211 18715 11462 1 19 . 1 1 70 70 THR H H 70 7.515 7.515 7.600 -0.085 18715 11463 1 19 . 1 1 71 71 GLY N N 71 109.540 109.540 109.739 -0.199 18715 11464 1 19 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.303 1.250 18715 11465 1 19 . 1 1 71 71 GLY H H 71 7.692 7.692 7.376 0.316 18715 11466 1 19 . 1 1 72 72 SER N N 72 114.540 114.540 118.437 -3.897 18715 11467 1 19 . 1 1 72 72 SER HA H 72 4.625 4.625 4.590 0.035 18715 11468 1 19 . 1 1 72 72 SER CA C 72 57.319 57.319 57.158 0.161 18715 11469 1 19 . 1 1 72 72 SER CB C 72 64.599 64.599 64.852 -0.253 18715 11470 1 19 . 1 1 72 72 SER H H 72 8.045 8.045 8.039 0.006 18715 11471 1 19 . 1 1 73 73 GLU N N 73 124.228 124.228 120.616 3.612 18715 11472 1 19 . 1 1 73 73 GLU HA H 73 4.087 4.087 3.993 0.094 18715 11473 1 19 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.931 -0.551 18715 11474 1 19 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.564 -0.262 18715 11475 1 19 . 1 1 73 73 GLU H H 73 9.092 9.092 8.977 0.115 18715 11476 1 19 . 1 1 74 74 GLU N N 74 120.165 120.165 119.369 0.796 18715 11477 1 19 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.358 -0.069 18715 11478 1 19 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.612 0.616 18715 11479 1 19 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.673 -0.211 18715 11480 1 19 . 1 1 74 74 GLU H H 74 8.665 8.665 7.776 0.889 18715 11481 1 19 . 1 1 75 75 LEU N N 75 121.415 121.415 120.830 0.585 18715 11482 1 19 . 1 1 75 75 LEU HA H 75 4.161 4.161 3.961 0.200 18715 11483 1 19 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.615 -0.662 18715 11484 1 19 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.962 -0.694 18715 11485 1 19 . 1 1 75 75 LEU H H 75 7.765 7.765 7.705 0.060 18715 11486 1 19 . 1 1 76 76 ARG N N 76 119.228 119.228 118.709 0.519 18715 11487 1 19 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.905 0.028 18715 11488 1 19 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.204 -0.522 18715 11489 1 19 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.179 -0.982 18715 11490 1 19 . 1 1 76 76 ARG H H 76 7.868 7.868 8.363 -0.495 18715 11491 1 19 . 1 1 77 77 SER N N 77 114.228 114.228 115.756 -1.528 18715 11492 1 19 . 1 1 77 77 SER HA H 77 4.263 4.263 4.137 0.126 18715 11493 1 19 . 1 1 77 77 SER CA C 77 62.668 62.668 62.605 0.063 18715 11494 1 19 . 1 1 77 77 SER CB C 77 62.849 62.849 63.019 -0.170 18715 11495 1 19 . 1 1 77 77 SER H H 77 8.576 8.576 8.060 0.516 18715 11496 1 19 . 1 1 78 78 LEU N N 78 125.790 125.790 123.572 2.218 18715 11497 1 19 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.313 0.108 18715 11498 1 19 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.169 0.793 18715 11499 1 19 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.297 0.746 18715 11500 1 19 . 1 1 78 78 LEU H H 78 8.458 8.458 8.138 0.320 18715 11501 1 19 . 1 1 79 79 TYR N N 79 119.852 119.852 119.579 0.273 18715 11502 1 19 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.013 -0.352 18715 11503 1 19 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.136 0.666 18715 11504 1 19 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.212 0.981 18715 11505 1 19 . 1 1 79 79 TYR H H 79 8.694 8.694 8.583 0.111 18715 11506 1 19 . 1 1 80 80 ASN N N 80 117.040 117.040 117.440 -0.400 18715 11507 1 19 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.488 -0.204 18715 11508 1 19 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.303 -0.517 18715 11509 1 19 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.011 -0.172 18715 11510 1 19 . 1 1 80 80 ASN H H 80 8.871 8.871 8.097 0.774 18715 11511 1 19 . 1 1 81 81 THR N N 81 115.790 115.790 118.351 -2.561 18715 11512 1 19 . 1 1 81 81 THR HA H 81 3.945 3.945 4.309 -0.364 18715 11513 1 19 . 1 1 81 81 THR CA C 81 67.855 67.855 66.850 1.005 18715 11514 1 19 . 1 1 81 81 THR CB C 81 69.140 69.140 68.886 0.254 18715 11515 1 19 . 1 1 81 81 THR H H 81 8.119 8.119 8.222 -0.103 18715 11516 1 19 . 1 1 82 82 ILE N N 82 121.102 121.102 121.366 -0.264 18715 11517 1 19 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.725 -0.057 18715 11518 1 19 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.675 -1.155 18715 11519 1 19 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.231 -0.745 18715 11520 1 19 . 1 1 82 82 ILE H H 82 8.090 8.090 8.801 -0.711 18715 11521 1 19 . 1 1 83 83 ALA N N 83 125.165 125.165 123.030 2.135 18715 11522 1 19 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.864 0.027 18715 11523 1 19 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.246 0.609 18715 11524 1 19 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.918 -0.070 18715 11525 1 19 . 1 1 83 83 ALA H H 83 8.782 8.782 7.470 1.312 18715 11526 1 19 . 1 1 84 84 VAL N N 84 117.665 117.665 119.024 -1.359 18715 11527 1 19 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.538 -0.210 18715 11528 1 19 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.501 0.964 18715 11529 1 19 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.380 -0.685 18715 11530 1 19 . 1 1 84 84 VAL H H 84 7.795 7.795 7.561 0.234 18715 11531 1 19 . 1 1 85 85 LEU N N 85 122.040 122.040 120.962 1.078 18715 11532 1 19 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.829 -0.014 18715 11533 1 19 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.881 -0.571 18715 11534 1 19 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.822 0.326 18715 11535 1 19 . 1 1 85 85 LEU H H 85 8.163 8.163 8.340 -0.177 18715 11536 1 19 . 1 1 86 86 TYR N N 86 118.915 118.915 119.777 -0.862 18715 11537 1 19 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.133 -0.221 18715 11538 1 19 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.744 1.074 18715 11539 1 19 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.288 -0.001 18715 11540 1 19 . 1 1 86 86 TYR H H 86 9.062 9.062 8.156 0.906 18715 11541 1 19 . 1 1 87 87 CYS N N 87 116.102 116.102 116.868 -0.766 18715 11542 1 19 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.965 -0.171 18715 11543 1 19 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.100 1.866 18715 11544 1 19 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.551 20.006 18715 11545 1 19 . 1 1 87 87 CYS H H 87 7.515 7.515 8.077 -0.562 18715 11546 1 19 . 1 1 88 88 VAL N N 88 119.978 119.978 120.531 -0.553 18715 11547 1 19 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.716 0.162 18715 11548 1 19 . 1 1 88 88 VAL CA C 88 66.446 66.446 66.280 0.166 18715 11549 1 19 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.357 0.139 18715 11550 1 19 . 1 1 88 88 VAL H H 88 8.448 8.448 7.982 0.466 18715 11551 1 19 . 1 1 89 89 HIS N N 89 118.915 118.915 115.393 3.522 18715 11552 1 19 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.622 0.253 18715 11553 1 19 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.369 -0.249 18715 11554 1 19 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.407 -0.324 18715 11555 1 19 . 1 1 89 89 HIS H H 89 8.797 8.797 7.573 1.224 18715 11556 1 19 . 1 1 90 90 GLN N N 90 116.728 116.728 117.683 -0.955 18715 11557 1 19 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.318 0.067 18715 11558 1 19 . 1 1 90 90 GLN CA C 90 55.289 55.289 55.057 0.232 18715 11559 1 19 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.497 2.455 18715 11560 1 19 . 1 1 90 90 GLN H H 90 7.986 7.986 7.210 0.776 18715 11561 1 19 . 1 1 91 91 ARG N N 91 115.165 115.165 117.028 -1.863 18715 11562 1 19 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.891 0.122 18715 11563 1 19 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.441 -0.258 18715 11564 1 19 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.276 -2.227 18715 11565 1 19 . 1 1 91 91 ARG H H 91 7.883 7.883 7.533 0.350 18715 11566 1 19 . 1 1 92 92 ILE N N 92 120.087 120.087 119.481 0.606 18715 11567 1 19 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.140 -0.155 18715 11568 1 19 . 1 1 92 92 ILE CA C 92 60.656 60.656 61.075 -0.419 18715 11569 1 19 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.280 0.650 18715 11570 1 19 . 1 1 92 92 ILE H H 92 8.335 8.335 8.133 0.202 18715 11571 1 19 . 1 1 93 93 ASP N N 93 129.228 129.228 129.812 -0.584 18715 11572 1 19 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.708 -0.223 18715 11573 1 19 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.847 2.196 18715 11574 1 19 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.479 -0.083 18715 11575 1 19 . 1 1 93 93 ASP H H 93 8.620 8.620 8.649 -0.029 18715 11576 1 19 . 1 1 94 94 VAL N N 94 115.790 115.790 120.921 -5.131 18715 11577 1 19 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.472 0.161 18715 11578 1 19 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.993 -0.873 18715 11579 1 19 . 1 1 94 94 VAL CB C 94 35.512 35.512 33.364 2.148 18715 11580 1 19 . 1 1 94 94 VAL H H 94 7.751 7.751 7.681 0.070 18715 11581 1 19 . 1 1 95 95 LYS N N 95 118.915 118.915 122.177 -3.262 18715 11582 1 19 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.082 0.311 18715 11583 1 19 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.935 -1.264 18715 11584 1 19 . 1 1 95 95 LYS CB C 95 34.008 34.008 32.501 1.507 18715 11585 1 19 . 1 1 95 95 LYS H H 95 9.239 9.239 8.753 0.486 18715 11586 1 19 . 1 1 96 96 ASP N N 96 112.040 112.040 114.017 -1.977 18715 11587 1 19 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.095 0.467 18715 11588 1 19 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.868 -0.039 18715 11589 1 19 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.992 1.612 18715 11590 1 19 . 1 1 96 96 ASP H H 96 7.412 7.412 7.600 -0.188 18715 11591 1 19 . 1 1 97 97 THR N N 97 109.540 109.540 113.161 -3.621 18715 11592 1 19 . 1 1 97 97 THR HA H 97 3.661 3.661 4.079 -0.418 18715 11593 1 19 . 1 1 97 97 THR CA C 97 65.947 65.947 66.840 -0.893 18715 11594 1 19 . 1 1 97 97 THR CB C 97 70.285 70.285 69.228 1.056 18715 11595 1 19 . 1 1 97 97 THR H H 97 7.250 7.250 8.371 -1.121 18715 11596 1 19 . 1 1 98 98 LYS N N 98 121.102 121.102 122.737 -1.635 18715 11597 1 19 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.967 -0.022 18715 11598 1 19 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.732 -0.104 18715 11599 1 19 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.002 -0.075 18715 11600 1 19 . 1 1 98 98 LYS H H 98 7.868 7.868 8.317 -0.449 18715 11601 1 19 . 1 1 99 99 GLU N N 99 119.228 119.228 118.434 0.794 18715 11602 1 19 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.056 0.021 18715 11603 1 19 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.459 0.336 18715 11604 1 19 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.678 0.568 18715 11605 1 19 . 1 1 99 99 GLU H H 99 8.384 8.384 8.819 -0.435 18715 11606 1 19 . 1 1 100 100 ALA N N 100 118.915 118.915 122.289 -3.374 18715 11607 1 19 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.136 0.250 18715 11608 1 19 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.990 0.406 18715 11609 1 19 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.502 1.257 18715 11610 1 19 . 1 1 100 100 ALA H H 100 7.382 7.382 7.360 0.022 18715 11611 1 19 . 1 1 101 101 LEU N N 101 117.978 117.978 118.290 -0.312 18715 11612 1 19 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.843 0.177 18715 11613 1 19 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.370 -0.395 18715 11614 1 19 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.636 -0.143 18715 11615 1 19 . 1 1 101 101 LEU H H 101 8.119 8.119 7.798 0.321 18715 11616 1 19 . 1 1 102 102 ASP N N 102 120.478 120.478 118.679 1.799 18715 11617 1 19 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.301 0.066 18715 11618 1 19 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.505 -0.153 18715 11619 1 19 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.727 -1.005 18715 11620 1 19 . 1 1 102 102 ASP H H 102 8.679 8.679 8.038 0.641 18715 11621 1 19 . 1 1 103 103 LYS N N 103 120.165 120.165 119.067 1.098 18715 11622 1 19 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.135 0.029 18715 11623 1 19 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.318 -0.954 18715 11624 1 19 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.560 -1.028 18715 11625 1 19 . 1 1 103 103 LYS H H 103 8.207 8.207 7.653 0.554 18715 11626 1 19 . 1 1 104 104 ILE N N 104 119.852 119.852 119.174 0.678 18715 11627 1 19 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.795 0.015 18715 11628 1 19 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.785 -0.177 18715 11629 1 19 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.850 -0.416 18715 11630 1 19 . 1 1 104 104 ILE H H 104 8.163 8.163 7.773 0.390 18715 11631 1 19 . 1 1 105 105 GLU N N 105 121.415 121.415 120.692 0.723 18715 11632 1 19 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.959 0.076 18715 11633 1 19 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.640 -0.006 18715 11634 1 19 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.673 3.083 18715 11635 1 19 . 1 1 105 105 GLU H H 105 8.001 8.001 8.335 -0.334 18715 11636 1 19 . 1 1 106 106 GLU N N 106 119.228 119.228 119.170 0.058 18715 11637 1 19 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.069 0.021 18715 11638 1 19 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.464 -0.197 18715 11639 1 19 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.560 0.037 18715 11640 1 19 . 1 1 106 106 GLU H H 106 8.031 8.031 8.063 -0.032 18715 11641 1 19 . 1 1 107 107 GLU N N 107 118.915 118.915 118.364 0.551 18715 11642 1 19 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.201 -0.128 18715 11643 1 19 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.594 0.747 18715 11644 1 19 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.563 0.307 18715 11645 1 19 . 1 1 107 107 GLU H H 107 8.016 8.016 7.668 0.348 18715 11646 1 19 . 1 1 108 108 GLN N N 108 118.290 118.290 118.403 -0.113 18715 11647 1 19 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.195 -0.048 18715 11648 1 19 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.899 0.508 18715 11649 1 19 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.742 0.103 18715 11650 1 19 . 1 1 108 108 GLN H H 108 8.252 8.252 7.613 0.639 18715 11651 1 19 . 1 1 109 109 ASN N N 109 118.290 118.290 118.713 -0.423 18715 11652 1 19 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.359 0.258 18715 11653 1 19 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.719 -1.837 18715 11654 1 19 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.572 -0.047 18715 11655 1 19 . 1 1 109 109 ASN H H 109 8.252 8.252 8.378 -0.126 18715 11656 1 19 . 1 1 110 110 LYS N N 110 120.478 120.478 119.298 1.180 18715 11657 1 19 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.011 0.219 18715 11658 1 19 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.836 -1.525 18715 11659 1 19 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.479 0.212 18715 11660 1 19 . 1 1 110 110 LYS H H 110 8.031 8.031 7.651 0.380 18715 11661 1 19 . 1 1 111 111 SER N N 111 114.540 114.540 114.370 0.170 18715 11662 1 19 . 1 1 111 111 SER HA H 111 4.368 4.368 4.184 0.184 18715 11663 1 19 . 1 1 111 111 SER CA C 111 59.764 59.764 61.237 -1.473 18715 11664 1 19 . 1 1 111 111 SER CB C 111 63.442 63.442 63.112 0.330 18715 11665 1 19 . 1 1 111 111 SER H H 111 8.031 8.031 7.998 0.033 18715 11666 1 19 . 1 1 112 112 LYS N N 112 122.040 122.040 121.489 0.551 18715 11667 1 19 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.176 0.069 18715 11668 1 19 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.471 -1.142 18715 11669 1 19 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.453 0.322 18715 11670 1 19 . 1 1 112 112 LYS H H 112 7.957 7.957 7.933 0.024 18715 11671 1 19 . 1 1 113 113 LYS N N 113 120.790 120.790 118.277 2.513 18715 11672 1 19 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.083 0.067 18715 11673 1 19 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.304 -0.170 18715 11674 1 19 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.587 0.179 18715 11675 1 19 . 1 1 113 113 LYS H H 113 8.016 8.016 8.006 0.010 18715 11676 1 19 . 1 1 114 114 LYS N N 114 121.728 121.728 117.390 4.338 18715 11677 1 19 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.493 -0.230 18715 11678 1 19 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.262 -1.077 18715 11679 1 19 . 1 1 114 114 LYS CB C 114 32.857 32.857 33.005 -0.148 18715 11680 1 19 . 1 1 114 114 LYS H H 114 8.119 8.119 7.588 0.531 18715 11681 1 19 . 1 1 115 115 ALA N N 115 124.228 124.228 120.228 4.000 18715 11682 1 19 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.481 -0.213 18715 11683 1 19 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.930 1.105 18715 11684 1 19 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.487 0.551 18715 11685 1 19 . 1 1 115 115 ALA H H 115 8.178 8.178 7.491 0.687 18715 11686 1 19 . 1 1 116 116 GLN N N 116 119.228 119.228 117.674 1.554 18715 11687 1 19 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.380 -0.132 18715 11688 1 19 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.603 -0.054 18715 11689 1 19 . 1 1 116 116 GLN H H 116 8.237 8.237 7.740 0.497 18715 11690 1 19 . 1 1 117 117 GLN N N 117 120.478 120.478 117.749 2.729 18715 11691 1 19 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.341 -0.072 18715 11692 1 19 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.202 -0.878 18715 11693 1 19 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.028 0.578 18715 11694 1 19 . 1 1 117 117 GLN H H 117 8.266 8.266 8.298 -0.032 18715 11695 1 19 . 1 1 118 118 ALA N N 118 124.852 124.852 122.554 2.298 18715 11696 1 19 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.581 -0.305 18715 11697 1 19 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.227 0.610 18715 11698 1 19 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.334 0.729 18715 11699 1 19 . 1 1 118 118 ALA H H 118 8.266 8.266 8.289 -0.023 18715 11700 1 19 . 1 1 119 119 ALA N N 119 122.978 122.978 119.171 3.807 18715 11701 1 19 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.455 -0.161 18715 11702 1 19 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.344 0.293 18715 11703 1 19 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.473 0.728 18715 11704 1 19 . 1 1 119 119 ALA H H 119 8.163 8.163 7.846 0.317 18715 11705 1 19 . 1 1 120 120 ALA N N 120 122.665 122.665 121.718 0.947 18715 11706 1 19 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.508 -0.231 18715 11707 1 19 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.357 0.379 18715 11708 1 19 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.922 -0.756 18715 11709 1 19 . 1 1 120 120 ALA H H 120 8.163 8.163 8.002 0.161 18715 11710 1 19 . 1 1 121 121 ASP N N 121 119.228 119.228 118.214 1.014 18715 11711 1 19 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.627 0.055 18715 11712 1 19 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.542 -0.278 18715 11713 1 19 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.661 -0.533 18715 11714 1 19 . 1 1 121 121 ASP H H 121 8.252 8.252 8.141 0.111 18715 11715 1 19 . 1 1 122 122 THR N N 122 113.602 113.602 112.205 1.397 18715 11716 1 19 . 1 1 122 122 THR HA H 122 4.358 4.358 4.063 0.295 18715 11717 1 19 . 1 1 122 122 THR CA C 122 61.971 61.971 62.693 -0.722 18715 11718 1 19 . 1 1 122 122 THR CB C 122 69.586 69.586 68.610 0.976 18715 11719 1 19 . 1 1 122 122 THR H H 122 8.075 8.075 7.731 0.344 18715 11720 1 19 . 1 1 123 123 GLY N N 123 110.478 110.478 106.871 3.607 18715 11721 1 19 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.228 0.374 18715 11722 1 19 . 1 1 123 123 GLY H H 123 8.414 8.414 8.453 -0.039 18715 11723 1 19 . 1 1 124 124 ASN N N 124 118.602 118.602 120.984 -2.382 18715 11724 1 19 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.508 0.100 18715 11725 1 19 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.436 1.297 18715 11726 1 19 . 1 1 124 124 ASN CB C 124 38.538 38.538 38.645 -0.107 18715 11727 1 19 . 1 1 124 124 ASN H H 124 8.266 8.266 8.322 -0.056 18715 11728 1 19 . 1 1 125 125 ASN N N 125 119.228 119.228 121.111 -1.883 18715 11729 1 19 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.626 0.098 18715 11730 1 19 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.568 -0.115 18715 11731 1 19 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.083 -0.270 18715 11732 1 19 . 1 1 125 125 ASN H H 125 8.443 8.443 8.247 0.196 18715 11733 1 19 . 1 1 126 126 SER N N 126 115.790 115.790 116.034 -0.244 18715 11734 1 19 . 1 1 126 126 SER HA H 126 4.388 4.388 4.421 -0.033 18715 11735 1 19 . 1 1 126 126 SER CA C 126 58.851 58.851 57.658 1.193 18715 11736 1 19 . 1 1 126 126 SER CB C 126 63.926 63.926 64.626 -0.700 18715 11737 1 19 . 1 1 126 126 SER H H 126 8.266 8.266 8.251 0.015 18715 11738 1 19 . 1 1 127 127 GLN N N 127 121.728 121.728 121.108 0.620 18715 11739 1 19 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.473 -0.150 18715 11740 1 19 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.300 0.923 18715 11741 1 19 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.999 0.169 18715 11742 1 19 . 1 1 127 127 GLN H H 127 8.355 8.355 8.506 -0.151 18715 11743 1 19 . 1 1 128 128 VAL N N 128 119.852 119.852 126.044 -6.192 18715 11744 1 19 . 1 1 128 128 VAL HA H 128 4.109 4.109 3.839 0.270 18715 11745 1 19 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.447 -0.782 18715 11746 1 19 . 1 1 128 128 VAL CB C 128 32.769 32.769 31.346 1.423 18715 11747 1 19 . 1 1 128 128 VAL H H 128 7.986 7.986 8.425 -0.439 18715 11748 1 19 . 1 1 129 129 SER N N 129 117.978 117.978 121.681 -3.703 18715 11749 1 19 . 1 1 129 129 SER HA H 129 4.136 4.136 4.751 -0.615 18715 11750 1 19 . 1 1 129 129 SER CA C 129 58.404 58.404 57.272 1.132 18715 11751 1 19 . 1 1 129 129 SER CB C 129 63.755 63.755 64.554 -0.799 18715 11752 1 19 . 1 1 129 129 SER H H 129 8.252 8.252 8.271 -0.019 18715 11753 1 19 . 1 1 130 130 GLN N N 130 121.728 121.728 122.405 -0.677 18715 11754 1 19 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.298 0.057 18715 11755 1 19 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.933 0.217 18715 11756 1 19 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.359 0.014 18715 11757 1 19 . 1 1 130 130 GLN H H 130 8.355 8.355 8.529 -0.174 18715 11758 1 19 . 1 1 131 131 ASN N N 131 118.290 118.290 117.425 0.865 18715 11759 1 19 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.320 0.312 18715 11760 1 19 . 1 1 131 131 ASN CA C 131 53.568 53.568 54.062 -0.494 18715 11761 1 19 . 1 1 131 131 ASN H H 131 8.252 8.252 8.624 -0.372 18715 11762 1 20 . 1 1 3 3 ALA N N 3 123.842 123.842 122.263 1.579 18715 11763 1 20 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.418 -0.090 18715 11764 1 20 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.973 0.564 18715 11765 1 20 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.255 -2.004 18715 11766 1 20 . 1 1 3 3 ALA H H 3 8.183 8.183 7.770 0.413 18715 11767 1 20 . 1 1 4 4 ARG N N 4 120.165 120.165 120.748 -0.583 18715 11768 1 20 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.081 0.175 18715 11769 1 20 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.326 -0.361 18715 11770 1 20 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.691 1.270 18715 11771 1 20 . 1 1 4 4 ARG H H 4 8.429 8.429 8.371 0.058 18715 11772 1 20 . 1 1 5 5 ALA N N 5 125.165 125.165 126.162 -0.997 18715 11773 1 20 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.638 -0.356 18715 11774 1 20 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.690 0.681 18715 11775 1 20 . 1 1 5 5 ALA CB C 5 19.672 19.672 21.045 -1.373 18715 11776 1 20 . 1 1 5 5 ALA H H 5 8.370 8.370 7.987 0.383 18715 11777 1 20 . 1 1 6 6 SER N N 6 114.540 114.540 118.599 -4.059 18715 11778 1 20 . 1 1 6 6 SER HA H 6 4.479 4.479 4.576 -0.097 18715 11779 1 20 . 1 1 6 6 SER CA C 6 57.804 57.804 57.761 0.043 18715 11780 1 20 . 1 1 6 6 SER CB C 6 64.034 64.034 63.922 0.112 18715 11781 1 20 . 1 1 6 6 SER H H 6 8.134 8.134 8.508 -0.374 18715 11782 1 20 . 1 1 7 7 VAL N N 7 121.415 121.415 120.049 1.366 18715 11783 1 20 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.190 -0.573 18715 11784 1 20 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.208 2.503 18715 11785 1 20 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.247 -0.311 18715 11786 1 20 . 1 1 7 7 VAL H H 7 8.119 8.119 8.182 -0.063 18715 11787 1 20 . 1 1 8 8 LEU N N 8 115.478 115.478 119.265 -3.787 18715 11788 1 20 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.726 0.206 18715 11789 1 20 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.233 -0.726 18715 11790 1 20 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.773 0.530 18715 11791 1 20 . 1 1 8 8 LEU H H 8 7.382 7.382 7.606 -0.224 18715 11792 1 20 . 1 1 9 9 SER N N 9 118.290 118.290 119.484 -1.194 18715 11793 1 20 . 1 1 9 9 SER HA H 9 4.606 4.606 4.504 0.102 18715 11794 1 20 . 1 1 9 9 SER CA C 9 57.197 57.197 57.716 -0.519 18715 11795 1 20 . 1 1 9 9 SER CB C 9 65.426 65.426 65.499 -0.073 18715 11796 1 20 . 1 1 9 9 SER H H 9 9.166 9.166 8.974 0.192 18715 11797 1 20 . 1 1 10 10 GLY N N 10 109.228 109.228 108.732 0.496 18715 11798 1 20 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.917 0.757 18715 11799 1 20 . 1 1 10 10 GLY H H 10 8.959 8.959 8.719 0.240 18715 11800 1 20 . 1 1 11 11 GLY N N 11 111.102 111.102 109.858 1.244 18715 11801 1 20 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.456 0.205 18715 11802 1 20 . 1 1 11 11 GLY H H 11 8.782 8.782 7.833 0.949 18715 11803 1 20 . 1 1 12 12 GLU N N 12 120.165 120.165 122.026 -1.861 18715 11804 1 20 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.018 -0.068 18715 11805 1 20 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.726 0.370 18715 11806 1 20 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.545 1.745 18715 11807 1 20 . 1 1 12 12 GLU H H 12 7.751 7.751 7.539 0.212 18715 11808 1 20 . 1 1 13 13 LEU N N 13 121.415 121.415 121.779 -0.364 18715 11809 1 20 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.049 0.059 18715 11810 1 20 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.312 -0.250 18715 11811 1 20 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.943 -1.006 18715 11812 1 20 . 1 1 13 13 LEU H H 13 8.340 8.340 8.286 0.054 18715 11813 1 20 . 1 1 14 14 ASP N N 14 116.415 116.415 118.358 -1.943 18715 11814 1 20 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.294 0.099 18715 11815 1 20 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.414 -0.278 18715 11816 1 20 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.872 0.214 18715 11817 1 20 . 1 1 14 14 ASP H H 14 7.574 7.574 7.902 -0.328 18715 11818 1 20 . 1 1 15 15 LYS N N 15 115.478 115.478 119.036 -3.558 18715 11819 1 20 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.157 -0.111 18715 11820 1 20 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.974 -0.572 18715 11821 1 20 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.655 -0.296 18715 11822 1 20 . 1 1 15 15 LYS H H 15 7.117 7.117 7.454 -0.337 18715 11823 1 20 . 1 1 16 16 TRP N N 16 121.693 121.693 121.982 -0.289 18715 11824 1 20 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.294 -0.269 18715 11825 1 20 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.808 -0.522 18715 11826 1 20 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.512 1.601 18715 11827 1 20 . 1 1 16 16 TRP H H 16 8.646 8.646 8.562 0.084 18715 11828 1 20 . 1 1 17 17 GLU N N 17 127.710 127.710 115.572 12.138 18715 11829 1 20 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.470 0.221 18715 11830 1 20 . 1 1 17 17 GLU CA C 17 56.769 56.769 57.650 -0.881 18715 11831 1 20 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.673 0.072 18715 11832 1 20 . 1 1 17 17 GLU H H 17 7.571 7.571 7.906 -0.335 18715 11833 1 20 . 1 1 18 18 LYS N N 18 115.790 115.790 118.920 -3.130 18715 11834 1 20 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.423 0.074 18715 11835 1 20 . 1 1 18 18 LYS CA C 18 55.569 55.569 55.213 0.356 18715 11836 1 20 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.312 1.627 18715 11837 1 20 . 1 1 18 18 LYS H H 18 7.456 7.456 7.625 -0.169 18715 11838 1 20 . 1 1 19 19 ILE N N 19 124.228 124.228 120.284 3.944 18715 11839 1 20 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.471 -0.914 18715 11840 1 20 . 1 1 19 19 ILE CA C 19 63.120 63.120 59.567 3.553 18715 11841 1 20 . 1 1 19 19 ILE CB C 19 38.182 38.182 40.591 -2.409 18715 11842 1 20 . 1 1 19 19 ILE H H 19 7.633 7.633 7.233 0.400 18715 11843 1 20 . 1 1 20 20 ARG N N 20 125.790 125.790 126.524 -0.734 18715 11844 1 20 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.492 -0.064 18715 11845 1 20 . 1 1 20 20 ARG CA C 20 56.495 56.495 56.490 0.005 18715 11846 1 20 . 1 1 20 20 ARG CB C 20 31.537 31.537 30.989 0.548 18715 11847 1 20 . 1 1 20 20 ARG H H 20 8.031 8.031 8.735 -0.704 18715 11848 1 20 . 1 1 21 21 LEU N N 21 120.165 120.165 121.466 -1.301 18715 11849 1 20 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.353 0.093 18715 11850 1 20 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.959 1.276 18715 11851 1 20 . 1 1 21 21 LEU CB C 21 41.535 41.535 41.832 -0.297 18715 11852 1 20 . 1 1 21 21 LEU H H 21 7.810 7.810 8.280 -0.470 18715 11853 1 20 . 1 1 22 22 ARG N N 22 119.540 119.540 114.930 4.610 18715 11854 1 20 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.591 0.254 18715 11855 1 20 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.236 -0.392 18715 11856 1 20 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.717 -1.100 18715 11857 1 20 . 1 1 22 22 ARG H H 22 8.974 8.974 7.281 1.693 18715 11858 1 20 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.482 -0.122 18715 11859 1 20 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.398 -0.962 18715 11860 1 20 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.103 -0.538 18715 11861 1 20 . 1 1 24 24 GLY N N 24 112.665 112.665 107.748 4.917 18715 11862 1 20 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.670 1.135 18715 11863 1 20 . 1 1 24 24 GLY H H 24 9.138 9.138 8.340 0.798 18715 11864 1 20 . 1 1 25 25 GLY N N 25 107.978 107.978 107.650 0.328 18715 11865 1 20 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.987 -0.415 18715 11866 1 20 . 1 1 25 25 GLY H H 25 8.134 8.134 7.350 0.784 18715 11867 1 20 . 1 1 26 26 LYS N N 26 117.665 117.665 120.486 -2.821 18715 11868 1 20 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.505 -0.241 18715 11869 1 20 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.772 1.081 18715 11870 1 20 . 1 1 26 26 LYS CB C 26 34.056 34.056 31.711 2.345 18715 11871 1 20 . 1 1 26 26 LYS H H 26 8.665 8.665 8.457 0.208 18715 11872 1 20 . 1 1 27 27 LYS N N 27 117.925 117.925 120.049 -2.124 18715 11873 1 20 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.633 -0.322 18715 11874 1 20 . 1 1 27 27 LYS CA C 27 57.211 57.211 54.602 2.609 18715 11875 1 20 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.588 -0.710 18715 11876 1 20 . 1 1 27 27 LYS H H 27 7.817 7.817 7.904 -0.087 18715 11877 1 20 . 1 1 28 28 GLN N N 28 122.978 122.978 116.871 6.107 18715 11878 1 20 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.797 0.019 18715 11879 1 20 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.480 -0.007 18715 11880 1 20 . 1 1 28 28 GLN CB C 28 34.054 34.054 32.557 1.497 18715 11881 1 20 . 1 1 28 28 GLN H H 28 8.458 8.458 8.224 0.234 18715 11882 1 20 . 1 1 29 29 TYR N N 29 119.540 119.540 119.809 -0.269 18715 11883 1 20 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.514 -0.782 18715 11884 1 20 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.659 2.351 18715 11885 1 20 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.652 -2.436 18715 11886 1 20 . 1 1 29 29 TYR H H 29 7.824 7.824 8.371 -0.547 18715 11887 1 20 . 1 1 30 30 LYS N N 30 117.978 117.978 120.062 -2.084 18715 11888 1 20 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.915 0.301 18715 11889 1 20 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.403 -0.338 18715 11890 1 20 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.559 2.029 18715 11891 1 20 . 1 1 30 30 LYS H H 30 10.610 10.610 9.261 1.349 18715 11892 1 20 . 1 1 31 31 LEU N N 31 128.602 128.602 124.463 4.139 18715 11893 1 20 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.022 0.159 18715 11894 1 20 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.910 0.324 18715 11895 1 20 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.956 -0.954 18715 11896 1 20 . 1 1 31 31 LEU H H 31 9.991 9.991 9.132 0.859 18715 11897 1 20 . 1 1 32 32 LYS N N 32 115.165 115.165 118.884 -3.719 18715 11898 1 20 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.946 0.199 18715 11899 1 20 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.205 -0.108 18715 11900 1 20 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.864 -0.305 18715 11901 1 20 . 1 1 32 32 LYS H H 32 8.399 8.399 8.578 -0.179 18715 11902 1 20 . 1 1 33 33 HIS N N 33 119.540 119.540 117.451 2.089 18715 11903 1 20 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.688 -0.084 18715 11904 1 20 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.359 3.532 18715 11905 1 20 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.645 2.139 18715 11906 1 20 . 1 1 33 33 HIS H H 33 8.193 8.193 7.953 0.240 18715 11907 1 20 . 1 1 34 34 ILE N N 34 119.540 119.540 120.480 -0.940 18715 11908 1 20 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.675 0.119 18715 11909 1 20 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.102 -1.254 18715 11910 1 20 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.576 -0.597 18715 11911 1 20 . 1 1 34 34 ILE H H 34 7.898 7.898 7.561 0.337 18715 11912 1 20 . 1 1 35 35 VAL N N 35 122.040 122.040 118.990 3.050 18715 11913 1 20 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.807 -0.195 18715 11914 1 20 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.621 0.125 18715 11915 1 20 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.371 0.771 18715 11916 1 20 . 1 1 35 35 VAL H H 35 7.706 7.706 8.335 -0.629 18715 11917 1 20 . 1 1 36 36 TRP N N 36 119.986 119.986 122.746 -2.760 18715 11918 1 20 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.224 0.009 18715 11919 1 20 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.944 0.166 18715 11920 1 20 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.138 -0.726 18715 11921 1 20 . 1 1 36 36 TRP H H 36 8.452 8.452 7.612 0.840 18715 11922 1 20 . 1 1 37 37 ALA N N 37 120.478 120.478 119.316 1.162 18715 11923 1 20 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.787 -0.397 18715 11924 1 20 . 1 1 37 37 ALA CA C 37 55.113 55.113 55.175 -0.062 18715 11925 1 20 . 1 1 37 37 ALA CB C 37 17.430 17.430 17.905 -0.475 18715 11926 1 20 . 1 1 37 37 ALA H H 37 8.311 8.311 8.106 0.205 18715 11927 1 20 . 1 1 38 38 SER N N 38 111.415 111.415 115.627 -4.212 18715 11928 1 20 . 1 1 38 38 SER HA H 38 3.906 3.906 4.097 -0.191 18715 11929 1 20 . 1 1 38 38 SER CA C 38 62.801 62.801 62.732 0.069 18715 11930 1 20 . 1 1 38 38 SER CB C 38 62.829 62.829 63.041 -0.212 18715 11931 1 20 . 1 1 38 38 SER H H 38 8.259 8.259 7.585 0.674 18715 11932 1 20 . 1 1 39 39 ARG N N 39 119.852 119.852 120.428 -0.576 18715 11933 1 20 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.012 0.134 18715 11934 1 20 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.495 -0.085 18715 11935 1 20 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.096 -0.088 18715 11936 1 20 . 1 1 39 39 ARG H H 39 7.559 7.559 7.693 -0.134 18715 11937 1 20 . 1 1 40 40 GLU N N 40 121.102 121.102 118.618 2.484 18715 11938 1 20 . 1 1 40 40 GLU HA H 40 3.787 3.787 4.037 -0.250 18715 11939 1 20 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.078 0.203 18715 11940 1 20 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.313 0.361 18715 11941 1 20 . 1 1 40 40 GLU H H 40 8.222 8.222 7.437 0.785 18715 11942 1 20 . 1 1 41 41 LEU N N 41 117.040 117.040 121.216 -4.176 18715 11943 1 20 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.128 -0.175 18715 11944 1 20 . 1 1 41 41 LEU CA C 41 58.323 58.323 58.157 0.166 18715 11945 1 20 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.937 -1.756 18715 11946 1 20 . 1 1 41 41 LEU H H 41 8.016 8.016 7.978 0.038 18715 11947 1 20 . 1 1 42 42 GLU N N 42 117.352 117.352 118.401 -1.049 18715 11948 1 20 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.132 -0.005 18715 11949 1 20 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.523 0.048 18715 11950 1 20 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.219 0.446 18715 11951 1 20 . 1 1 42 42 GLU H H 42 7.559 7.559 7.760 -0.201 18715 11952 1 20 . 1 1 43 43 ARG N N 43 119.540 119.540 118.473 1.067 18715 11953 1 20 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.038 0.004 18715 11954 1 20 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.173 0.317 18715 11955 1 20 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.049 -0.384 18715 11956 1 20 . 1 1 43 43 ARG H H 43 7.647 7.647 7.809 -0.162 18715 11957 1 20 . 1 1 44 44 PHE N N 44 117.665 117.665 118.572 -0.907 18715 11958 1 20 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.642 -0.028 18715 11959 1 20 . 1 1 44 44 PHE CA C 44 57.358 57.358 57.066 0.292 18715 11960 1 20 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.469 0.697 18715 11961 1 20 . 1 1 44 44 PHE H H 44 7.529 7.529 7.677 -0.148 18715 11962 1 20 . 1 1 45 45 ALA N N 45 118.915 118.915 119.130 -0.215 18715 11963 1 20 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.928 0.087 18715 11964 1 20 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.242 0.172 18715 11965 1 20 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.824 -0.545 18715 11966 1 20 . 1 1 45 45 ALA H H 45 7.928 7.928 7.655 0.273 18715 11967 1 20 . 1 1 46 46 VAL N N 46 119.540 119.540 118.481 1.059 18715 11968 1 20 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.171 -0.076 18715 11969 1 20 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.918 -0.097 18715 11970 1 20 . 1 1 46 46 VAL CB C 46 33.366 33.366 34.044 -0.678 18715 11971 1 20 . 1 1 46 46 VAL H H 46 7.765 7.765 7.769 -0.004 18715 11972 1 20 . 1 1 47 47 ASN N N 47 125.790 125.790 125.983 -0.193 18715 11973 1 20 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.799 -0.153 18715 11974 1 20 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.318 -1.321 18715 11975 1 20 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.863 0.223 18715 11976 1 20 . 1 1 47 47 ASN H H 47 8.399 8.399 8.797 -0.398 18715 11977 1 20 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.394 -0.172 18715 11978 1 20 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.199 0.115 18715 11979 1 20 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.942 -0.202 18715 11980 1 20 . 1 1 49 49 GLY N N 49 108.290 108.290 107.160 1.130 18715 11981 1 20 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.040 1.490 18715 11982 1 20 . 1 1 49 49 GLY H H 49 8.620 8.620 8.143 0.477 18715 11983 1 20 . 1 1 50 50 LEU N N 50 121.728 121.728 118.889 2.839 18715 11984 1 20 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.453 -0.307 18715 11985 1 20 . 1 1 50 50 LEU CA C 50 57.241 57.241 54.949 2.292 18715 11986 1 20 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.649 -1.086 18715 11987 1 20 . 1 1 50 50 LEU H H 50 7.765 7.765 7.301 0.464 18715 11988 1 20 . 1 1 51 51 LEU N N 51 112.040 112.040 119.552 -7.512 18715 11989 1 20 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.144 0.094 18715 11990 1 20 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.246 -0.739 18715 11991 1 20 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.888 0.602 18715 11992 1 20 . 1 1 51 51 LEU H H 51 7.412 7.412 7.505 -0.093 18715 11993 1 20 . 1 1 52 52 GLU N N 52 114.540 114.540 114.282 0.258 18715 11994 1 20 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.350 -0.295 18715 11995 1 20 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.736 1.648 18715 11996 1 20 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.287 1.771 18715 11997 1 20 . 1 1 52 52 GLU H H 52 7.500 7.500 8.516 -1.016 18715 11998 1 20 . 1 1 53 53 THR N N 53 122.978 122.978 110.921 12.057 18715 11999 1 20 . 1 1 53 53 THR HA H 53 4.402 4.402 4.529 -0.127 18715 12000 1 20 . 1 1 53 53 THR CA C 53 58.306 58.306 59.441 -1.135 18715 12001 1 20 . 1 1 53 53 THR CB C 53 73.222 73.222 71.710 1.512 18715 12002 1 20 . 1 1 53 53 THR H H 53 7.235 7.235 7.434 -0.199 18715 12003 1 20 . 1 1 54 54 SER N N 54 119.228 119.228 121.543 -2.315 18715 12004 1 20 . 1 1 54 54 SER HA H 54 4.043 4.043 4.230 -0.187 18715 12005 1 20 . 1 1 54 54 SER CA C 54 62.657 62.657 61.691 0.966 18715 12006 1 20 . 1 1 54 54 SER CB C 54 62.562 62.562 62.839 -0.277 18715 12007 1 20 . 1 1 54 54 SER H H 54 9.313 9.313 8.946 0.367 18715 12008 1 20 . 1 1 55 55 GLU N N 55 121.233 121.233 120.984 0.249 18715 12009 1 20 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.292 -0.223 18715 12010 1 20 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.668 1.007 18715 12011 1 20 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.432 -0.433 18715 12012 1 20 . 1 1 55 55 GLU H H 55 8.975 8.975 8.604 0.371 18715 12013 1 20 . 1 1 56 56 GLY N N 56 110.790 110.790 108.003 2.787 18715 12014 1 20 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.326 0.540 18715 12015 1 20 . 1 1 56 56 GLY H H 56 8.517 8.517 8.328 0.189 18715 12016 1 20 . 1 1 57 57 CYS N N 57 118.602 118.602 120.190 -1.588 18715 12017 1 20 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.091 -0.071 18715 12018 1 20 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.779 -0.177 18715 12019 1 20 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.870 19.925 18715 12020 1 20 . 1 1 57 57 CYS H H 57 8.122 8.122 8.198 -0.076 18715 12021 1 20 . 1 1 58 58 ARG N N 58 119.540 119.540 119.378 0.162 18715 12022 1 20 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.634 -0.084 18715 12023 1 20 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.167 0.540 18715 12024 1 20 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.859 -0.410 18715 12025 1 20 . 1 1 58 58 ARG H H 58 8.488 8.488 7.535 0.953 18715 12026 1 20 . 1 1 59 59 GLN N N 59 119.852 119.852 119.043 0.809 18715 12027 1 20 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.065 -0.013 18715 12028 1 20 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.601 0.799 18715 12029 1 20 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.428 -0.194 18715 12030 1 20 . 1 1 59 59 GLN H H 59 8.016 8.016 7.688 0.328 18715 12031 1 20 . 1 1 60 60 ILE N N 60 120.790 120.790 119.526 1.264 18715 12032 1 20 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.735 -0.124 18715 12033 1 20 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.391 0.199 18715 12034 1 20 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.873 -0.023 18715 12035 1 20 . 1 1 60 60 ILE H H 60 8.163 8.163 7.965 0.198 18715 12036 1 20 . 1 1 61 61 LEU N N 61 118.915 118.915 118.644 0.271 18715 12037 1 20 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.117 -0.222 18715 12038 1 20 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.557 1.097 18715 12039 1 20 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.131 -0.355 18715 12040 1 20 . 1 1 61 61 LEU H H 61 8.370 8.370 7.729 0.641 18715 12041 1 20 . 1 1 62 62 GLY N N 62 104.332 104.332 106.758 -2.426 18715 12042 1 20 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.628 0.556 18715 12043 1 20 . 1 1 62 62 GLY H H 62 7.883 7.883 7.424 0.459 18715 12044 1 20 . 1 1 63 63 GLN N N 63 119.852 119.852 119.139 0.713 18715 12045 1 20 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.238 -0.086 18715 12046 1 20 . 1 1 63 63 GLN CA C 63 57.994 57.994 58.052 -0.058 18715 12047 1 20 . 1 1 63 63 GLN CB C 63 29.199 29.199 28.988 0.211 18715 12048 1 20 . 1 1 63 63 GLN H H 63 7.795 7.795 7.536 0.259 18715 12049 1 20 . 1 1 64 64 LEU N N 64 117.040 117.040 119.870 -2.830 18715 12050 1 20 . 1 1 64 64 LEU HA H 64 4.281 4.281 3.989 0.292 18715 12051 1 20 . 1 1 64 64 LEU CA C 64 56.101 56.101 57.199 -1.097 18715 12052 1 20 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.580 2.663 18715 12053 1 20 . 1 1 64 64 LEU H H 64 8.252 8.252 7.563 0.689 18715 12054 1 20 . 1 1 65 65 GLN N N 65 118.915 118.915 119.688 -0.773 18715 12055 1 20 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.891 -0.112 18715 12056 1 20 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.451 1.096 18715 12057 1 20 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.360 -0.496 18715 12058 1 20 . 1 1 65 65 GLN H H 65 8.104 8.104 8.291 -0.187 18715 12059 1 20 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.370 0.013 18715 12060 1 20 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.905 1.012 18715 12061 1 20 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.196 -0.097 18715 12062 1 20 . 1 1 67 67 SER N N 67 111.415 111.415 114.461 -3.046 18715 12063 1 20 . 1 1 67 67 SER HA H 67 4.493 4.493 4.378 0.115 18715 12064 1 20 . 1 1 67 67 SER CA C 67 59.696 59.696 60.711 -1.015 18715 12065 1 20 . 1 1 67 67 SER CB C 67 64.031 64.031 62.982 1.049 18715 12066 1 20 . 1 1 67 67 SER H H 67 7.824 7.824 7.545 0.279 18715 12067 1 20 . 1 1 68 68 LEU N N 68 121.102 121.102 122.321 -1.219 18715 12068 1 20 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.772 0.044 18715 12069 1 20 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.190 -0.242 18715 12070 1 20 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.274 0.495 18715 12071 1 20 . 1 1 68 68 LEU H H 68 7.647 7.647 7.947 -0.300 18715 12072 1 20 . 1 1 69 69 GLN N N 69 116.415 116.415 118.512 -2.097 18715 12073 1 20 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.045 0.024 18715 12074 1 20 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.435 0.035 18715 12075 1 20 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.574 -0.146 18715 12076 1 20 . 1 1 69 69 GLN H H 69 8.060 8.060 8.009 0.051 18715 12077 1 20 . 1 1 70 70 THR N N 70 106.728 106.728 112.336 -5.608 18715 12078 1 20 . 1 1 70 70 THR HA H 70 4.481 4.481 4.530 -0.049 18715 12079 1 20 . 1 1 70 70 THR CA C 70 61.291 61.291 61.215 0.076 18715 12080 1 20 . 1 1 70 70 THR CB C 70 69.415 69.415 68.579 0.836 18715 12081 1 20 . 1 1 70 70 THR H H 70 7.515 7.515 7.566 -0.051 18715 12082 1 20 . 1 1 71 71 GLY N N 71 109.540 109.540 110.490 -0.950 18715 12083 1 20 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.512 1.041 18715 12084 1 20 . 1 1 71 71 GLY H H 71 7.692 7.692 7.530 0.162 18715 12085 1 20 . 1 1 72 72 SER N N 72 114.540 114.540 113.663 0.877 18715 12086 1 20 . 1 1 72 72 SER HA H 72 4.625 4.625 4.713 -0.088 18715 12087 1 20 . 1 1 72 72 SER CA C 72 57.319 57.319 57.173 0.145 18715 12088 1 20 . 1 1 72 72 SER CB C 72 64.599 64.599 65.763 -1.164 18715 12089 1 20 . 1 1 72 72 SER H H 72 8.045 8.045 7.925 0.120 18715 12090 1 20 . 1 1 73 73 GLU N N 73 124.228 124.228 120.956 3.272 18715 12091 1 20 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.006 0.081 18715 12092 1 20 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.438 -1.058 18715 12093 1 20 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.558 -0.256 18715 12094 1 20 . 1 1 73 73 GLU H H 73 9.092 9.092 9.001 0.091 18715 12095 1 20 . 1 1 74 74 GLU N N 74 120.165 120.165 119.303 0.862 18715 12096 1 20 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.386 -0.097 18715 12097 1 20 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.410 0.818 18715 12098 1 20 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.596 -0.134 18715 12099 1 20 . 1 1 74 74 GLU H H 74 8.665 8.665 7.770 0.895 18715 12100 1 20 . 1 1 75 75 LEU N N 75 121.415 121.415 121.239 0.176 18715 12101 1 20 . 1 1 75 75 LEU HA H 75 4.161 4.161 3.950 0.211 18715 12102 1 20 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.479 -0.526 18715 12103 1 20 . 1 1 75 75 LEU CB C 75 41.268 41.268 41.966 -0.698 18715 12104 1 20 . 1 1 75 75 LEU H H 75 7.765 7.765 7.637 0.128 18715 12105 1 20 . 1 1 76 76 ARG N N 76 119.228 119.228 118.366 0.862 18715 12106 1 20 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.994 -0.061 18715 12107 1 20 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.621 0.061 18715 12108 1 20 . 1 1 76 76 ARG CB C 76 29.197 29.197 29.802 -0.605 18715 12109 1 20 . 1 1 76 76 ARG H H 76 7.868 7.868 8.568 -0.700 18715 12110 1 20 . 1 1 77 77 SER N N 77 114.228 114.228 116.573 -2.345 18715 12111 1 20 . 1 1 77 77 SER HA H 77 4.263 4.263 4.174 0.089 18715 12112 1 20 . 1 1 77 77 SER CA C 77 62.668 62.668 62.645 0.023 18715 12113 1 20 . 1 1 77 77 SER CB C 77 62.849 62.849 63.050 -0.201 18715 12114 1 20 . 1 1 77 77 SER H H 77 8.576 8.576 8.046 0.530 18715 12115 1 20 . 1 1 78 78 LEU N N 78 125.790 125.790 123.063 2.727 18715 12116 1 20 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.244 0.177 18715 12117 1 20 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.173 0.789 18715 12118 1 20 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.223 0.820 18715 12119 1 20 . 1 1 78 78 LEU H H 78 8.458 8.458 8.283 0.175 18715 12120 1 20 . 1 1 79 79 TYR N N 79 119.852 119.852 119.165 0.687 18715 12121 1 20 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.057 -0.396 18715 12122 1 20 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.793 1.009 18715 12123 1 20 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.245 0.949 18715 12124 1 20 . 1 1 79 79 TYR H H 79 8.694 8.694 8.565 0.129 18715 12125 1 20 . 1 1 80 80 ASN N N 80 117.040 117.040 117.813 -0.773 18715 12126 1 20 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.463 -0.179 18715 12127 1 20 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.577 -0.790 18715 12128 1 20 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.974 -1.135 18715 12129 1 20 . 1 1 80 80 ASN H H 80 8.871 8.871 8.161 0.710 18715 12130 1 20 . 1 1 81 81 THR N N 81 115.790 115.790 117.854 -2.064 18715 12131 1 20 . 1 1 81 81 THR HA H 81 3.945 3.945 4.140 -0.195 18715 12132 1 20 . 1 1 81 81 THR CA C 81 67.855 67.855 66.820 1.035 18715 12133 1 20 . 1 1 81 81 THR CB C 81 69.140 69.140 68.857 0.283 18715 12134 1 20 . 1 1 81 81 THR H H 81 8.119 8.119 8.425 -0.306 18715 12135 1 20 . 1 1 82 82 ILE N N 82 121.102 121.102 121.151 -0.049 18715 12136 1 20 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.739 -0.071 18715 12137 1 20 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.627 -1.107 18715 12138 1 20 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.266 -0.780 18715 12139 1 20 . 1 1 82 82 ILE H H 82 8.090 8.090 8.741 -0.651 18715 12140 1 20 . 1 1 83 83 ALA N N 83 125.165 125.165 120.537 4.628 18715 12141 1 20 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.955 -0.064 18715 12142 1 20 . 1 1 83 83 ALA CA C 83 55.855 55.855 54.632 1.224 18715 12143 1 20 . 1 1 83 83 ALA CB C 83 17.848 17.848 18.270 -0.422 18715 12144 1 20 . 1 1 83 83 ALA H H 83 8.782 8.782 7.553 1.229 18715 12145 1 20 . 1 1 84 84 VAL N N 84 117.665 117.665 116.274 1.391 18715 12146 1 20 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.783 -0.455 18715 12147 1 20 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.198 1.266 18715 12148 1 20 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.889 -1.194 18715 12149 1 20 . 1 1 84 84 VAL H H 84 7.795 7.795 7.552 0.243 18715 12150 1 20 . 1 1 85 85 LEU N N 85 122.040 122.040 122.323 -0.283 18715 12151 1 20 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.981 -0.166 18715 12152 1 20 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.782 0.528 18715 12153 1 20 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.765 0.383 18715 12154 1 20 . 1 1 85 85 LEU H H 85 8.163 8.163 7.979 0.184 18715 12155 1 20 . 1 1 86 86 TYR N N 86 118.915 118.915 119.961 -1.046 18715 12156 1 20 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.046 -0.134 18715 12157 1 20 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.955 0.863 18715 12158 1 20 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.028 0.259 18715 12159 1 20 . 1 1 86 86 TYR H H 86 9.062 9.062 8.861 0.201 18715 12160 1 20 . 1 1 87 87 CYS N N 87 116.102 116.102 116.366 -0.264 18715 12161 1 20 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.902 -0.108 18715 12162 1 20 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.352 2.614 18715 12163 1 20 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.235 20.322 18715 12164 1 20 . 1 1 87 87 CYS H H 87 7.515 7.515 8.035 -0.520 18715 12165 1 20 . 1 1 88 88 VAL N N 88 119.978 119.978 119.009 0.969 18715 12166 1 20 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.794 0.084 18715 12167 1 20 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.665 0.781 18715 12168 1 20 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.515 -0.019 18715 12169 1 20 . 1 1 88 88 VAL H H 88 8.448 8.448 7.466 0.982 18715 12170 1 20 . 1 1 89 89 HIS N N 89 118.915 118.915 115.526 3.389 18715 12171 1 20 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.493 0.382 18715 12172 1 20 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.241 -0.121 18715 12173 1 20 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.341 -0.258 18715 12174 1 20 . 1 1 89 89 HIS H H 89 8.797 8.797 7.257 1.540 18715 12175 1 20 . 1 1 90 90 GLN N N 90 116.728 116.728 117.604 -0.876 18715 12176 1 20 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.196 0.189 18715 12177 1 20 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.224 -1.935 18715 12178 1 20 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.961 0.991 18715 12179 1 20 . 1 1 90 90 GLN H H 90 7.986 7.986 7.912 0.074 18715 12180 1 20 . 1 1 91 91 ARG N N 91 115.165 115.165 113.838 1.327 18715 12181 1 20 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.319 -0.306 18715 12182 1 20 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.050 1.133 18715 12183 1 20 . 1 1 91 91 ARG CB C 91 26.049 26.049 30.602 -4.553 18715 12184 1 20 . 1 1 91 91 ARG H H 91 7.883 7.883 7.717 0.166 18715 12185 1 20 . 1 1 92 92 ILE N N 92 120.087 120.087 124.448 -4.361 18715 12186 1 20 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.001 -0.016 18715 12187 1 20 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.617 -1.962 18715 12188 1 20 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.164 0.766 18715 12189 1 20 . 1 1 92 92 ILE H H 92 8.335 8.335 7.799 0.536 18715 12190 1 20 . 1 1 93 93 ASP N N 93 129.228 129.228 127.574 1.654 18715 12191 1 20 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.770 -0.285 18715 12192 1 20 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.966 2.077 18715 12193 1 20 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.348 0.048 18715 12194 1 20 . 1 1 93 93 ASP H H 93 8.620 8.620 8.417 0.203 18715 12195 1 20 . 1 1 94 94 VAL N N 94 115.790 115.790 116.929 -1.139 18715 12196 1 20 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.869 0.764 18715 12197 1 20 . 1 1 94 94 VAL CA C 94 59.120 59.120 61.885 -2.765 18715 12198 1 20 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.545 2.967 18715 12199 1 20 . 1 1 94 94 VAL H H 94 7.751 7.751 7.455 0.296 18715 12200 1 20 . 1 1 95 95 LYS N N 95 118.915 118.915 119.543 -0.628 18715 12201 1 20 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.319 0.074 18715 12202 1 20 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.238 -0.567 18715 12203 1 20 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.276 0.732 18715 12204 1 20 . 1 1 95 95 LYS H H 95 9.239 9.239 8.500 0.739 18715 12205 1 20 . 1 1 96 96 ASP N N 96 112.040 112.040 115.199 -3.159 18715 12206 1 20 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.428 0.134 18715 12207 1 20 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.509 0.320 18715 12208 1 20 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.423 1.181 18715 12209 1 20 . 1 1 96 96 ASP H H 96 7.412 7.412 7.671 -0.259 18715 12210 1 20 . 1 1 97 97 THR N N 97 109.540 109.540 114.598 -5.058 18715 12211 1 20 . 1 1 97 97 THR HA H 97 3.661 3.661 3.985 -0.324 18715 12212 1 20 . 1 1 97 97 THR CA C 97 65.947 65.947 66.969 -1.022 18715 12213 1 20 . 1 1 97 97 THR CB C 97 70.285 70.285 69.066 1.220 18715 12214 1 20 . 1 1 97 97 THR H H 97 7.250 7.250 8.291 -1.041 18715 12215 1 20 . 1 1 98 98 LYS N N 98 121.102 121.102 120.641 0.461 18715 12216 1 20 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.996 -0.051 18715 12217 1 20 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.410 0.218 18715 12218 1 20 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.093 -0.166 18715 12219 1 20 . 1 1 98 98 LYS H H 98 7.868 7.868 8.047 -0.179 18715 12220 1 20 . 1 1 99 99 GLU N N 99 119.228 119.228 118.121 1.107 18715 12221 1 20 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.078 -0.001 18715 12222 1 20 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.276 0.519 18715 12223 1 20 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.247 0.999 18715 12224 1 20 . 1 1 99 99 GLU H H 99 8.384 8.384 8.535 -0.151 18715 12225 1 20 . 1 1 100 100 ALA N N 100 118.915 118.915 121.548 -2.633 18715 12226 1 20 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.160 0.226 18715 12227 1 20 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.763 0.633 18715 12228 1 20 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.566 1.193 18715 12229 1 20 . 1 1 100 100 ALA H H 100 7.382 7.382 7.561 -0.179 18715 12230 1 20 . 1 1 101 101 LEU N N 101 117.978 117.978 119.983 -2.005 18715 12231 1 20 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.104 -0.084 18715 12232 1 20 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.879 0.096 18715 12233 1 20 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.188 0.305 18715 12234 1 20 . 1 1 101 101 LEU H H 101 8.119 8.119 7.877 0.242 18715 12235 1 20 . 1 1 102 102 ASP N N 102 120.478 120.478 118.476 2.002 18715 12236 1 20 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.333 0.034 18715 12237 1 20 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.853 -0.501 18715 12238 1 20 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.840 -1.118 18715 12239 1 20 . 1 1 102 102 ASP H H 102 8.679 8.679 8.266 0.413 18715 12240 1 20 . 1 1 103 103 LYS N N 103 120.165 120.165 120.245 -0.080 18715 12241 1 20 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.071 0.093 18715 12242 1 20 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.597 -1.233 18715 12243 1 20 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.519 -0.987 18715 12244 1 20 . 1 1 103 103 LYS H H 103 8.207 8.207 7.511 0.696 18715 12245 1 20 . 1 1 104 104 ILE N N 104 119.852 119.852 119.803 0.049 18715 12246 1 20 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.681 0.129 18715 12247 1 20 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.115 -0.507 18715 12248 1 20 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.696 -0.262 18715 12249 1 20 . 1 1 104 104 ILE H H 104 8.163 8.163 7.775 0.388 18715 12250 1 20 . 1 1 105 105 GLU N N 105 121.415 121.415 120.156 1.259 18715 12251 1 20 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.967 0.068 18715 12252 1 20 . 1 1 105 105 GLU CA C 105 59.634 59.634 60.294 -0.660 18715 12253 1 20 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.411 3.345 18715 12254 1 20 . 1 1 105 105 GLU H H 105 8.001 8.001 8.371 -0.370 18715 12255 1 20 . 1 1 106 106 GLU N N 106 119.228 119.228 118.986 0.242 18715 12256 1 20 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.078 0.012 18715 12257 1 20 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.361 -0.094 18715 12258 1 20 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.428 0.169 18715 12259 1 20 . 1 1 106 106 GLU H H 106 8.031 8.031 7.856 0.175 18715 12260 1 20 . 1 1 107 107 GLU N N 107 118.915 118.915 120.083 -1.168 18715 12261 1 20 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.037 0.036 18715 12262 1 20 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.465 -0.124 18715 12263 1 20 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.503 0.367 18715 12264 1 20 . 1 1 107 107 GLU H H 107 8.016 8.016 7.968 0.048 18715 12265 1 20 . 1 1 108 108 GLN N N 108 118.290 118.290 118.554 -0.264 18715 12266 1 20 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.039 0.108 18715 12267 1 20 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.736 -0.329 18715 12268 1 20 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.523 0.322 18715 12269 1 20 . 1 1 108 108 GLN H H 108 8.252 8.252 7.924 0.328 18715 12270 1 20 . 1 1 109 109 ASN N N 109 118.290 118.290 118.229 0.061 18715 12271 1 20 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.394 0.223 18715 12272 1 20 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.947 -1.065 18715 12273 1 20 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.376 0.149 18715 12274 1 20 . 1 1 109 109 ASN H H 109 8.252 8.252 8.167 0.085 18715 12275 1 20 . 1 1 110 110 LYS N N 110 120.478 120.478 119.639 0.839 18715 12276 1 20 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.936 0.294 18715 12277 1 20 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.642 -1.331 18715 12278 1 20 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.529 0.162 18715 12279 1 20 . 1 1 110 110 LYS H H 110 8.031 8.031 7.919 0.112 18715 12280 1 20 . 1 1 111 111 SER N N 111 114.540 114.540 113.919 0.621 18715 12281 1 20 . 1 1 111 111 SER HA H 111 4.368 4.368 4.221 0.147 18715 12282 1 20 . 1 1 111 111 SER CA C 111 59.764 59.764 61.339 -1.575 18715 12283 1 20 . 1 1 111 111 SER CB C 111 63.442 63.442 62.978 0.464 18715 12284 1 20 . 1 1 111 111 SER H H 111 8.031 8.031 7.730 0.301 18715 12285 1 20 . 1 1 112 112 LYS N N 112 122.040 122.040 120.774 1.266 18715 12286 1 20 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.089 0.156 18715 12287 1 20 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.596 -1.267 18715 12288 1 20 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.206 0.569 18715 12289 1 20 . 1 1 112 112 LYS H H 112 7.957 7.957 7.715 0.242 18715 12290 1 20 . 1 1 113 113 LYS N N 113 120.790 120.790 117.177 3.613 18715 12291 1 20 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.210 -0.060 18715 12292 1 20 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.143 0.991 18715 12293 1 20 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.933 -0.167 18715 12294 1 20 . 1 1 113 113 LYS H H 113 8.016 8.016 7.643 0.373 18715 12295 1 20 . 1 1 114 114 LYS N N 114 121.728 121.728 119.047 2.681 18715 12296 1 20 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.416 -0.153 18715 12297 1 20 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.425 1.760 18715 12298 1 20 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.523 0.334 18715 12299 1 20 . 1 1 114 114 LYS H H 114 8.119 8.119 7.427 0.692 18715 12300 1 20 . 1 1 115 115 ALA N N 115 124.228 124.228 121.054 3.174 18715 12301 1 20 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.637 -0.369 18715 12302 1 20 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.512 0.523 18715 12303 1 20 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.605 -0.567 18715 12304 1 20 . 1 1 115 115 ALA H H 115 8.178 8.178 7.634 0.544 18715 12305 1 20 . 1 1 116 116 GLN N N 116 119.228 119.228 117.049 2.179 18715 12306 1 20 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.500 -0.252 18715 12307 1 20 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.489 1.060 18715 12308 1 20 . 1 1 116 116 GLN H H 116 8.237 8.237 8.302 -0.065 18715 12309 1 20 . 1 1 117 117 GLN N N 117 120.478 120.478 120.100 0.378 18715 12310 1 20 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.056 0.213 18715 12311 1 20 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.222 -1.898 18715 12312 1 20 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.606 1.000 18715 12313 1 20 . 1 1 117 117 GLN H H 117 8.266 8.266 8.624 -0.358 18715 12314 1 20 . 1 1 118 118 ALA N N 118 124.852 124.852 120.674 4.178 18715 12315 1 20 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.506 -0.230 18715 12316 1 20 . 1 1 118 118 ALA CA C 118 52.837 52.837 51.827 1.010 18715 12317 1 20 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.131 0.930 18715 12318 1 20 . 1 1 118 118 ALA H H 118 8.266 8.266 8.013 0.253 18715 12319 1 20 . 1 1 119 119 ALA N N 119 122.978 122.978 120.138 2.840 18715 12320 1 20 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.462 -0.168 18715 12321 1 20 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.783 -0.146 18715 12322 1 20 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.638 -0.437 18715 12323 1 20 . 1 1 119 119 ALA H H 119 8.163 8.163 7.675 0.488 18715 12324 1 20 . 1 1 120 120 ALA N N 120 122.665 122.665 121.828 0.837 18715 12325 1 20 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.438 -0.161 18715 12326 1 20 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.261 0.475 18715 12327 1 20 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.590 -0.423 18715 12328 1 20 . 1 1 120 120 ALA H H 120 8.163 8.163 7.903 0.260 18715 12329 1 20 . 1 1 121 121 ASP N N 121 119.228 119.228 120.112 -0.884 18715 12330 1 20 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.715 -0.033 18715 12331 1 20 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.199 0.065 18715 12332 1 20 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.464 0.664 18715 12333 1 20 . 1 1 121 121 ASP H H 121 8.252 8.252 8.447 -0.195 18715 12334 1 20 . 1 1 122 122 THR N N 122 113.602 113.602 111.119 2.483 18715 12335 1 20 . 1 1 122 122 THR HA H 122 4.358 4.358 4.595 -0.237 18715 12336 1 20 . 1 1 122 122 THR CA C 122 61.971 61.971 60.068 1.903 18715 12337 1 20 . 1 1 122 122 THR CB C 122 69.586 69.586 70.782 -1.196 18715 12338 1 20 . 1 1 122 122 THR H H 122 8.075 8.075 7.563 0.512 18715 12339 1 20 . 1 1 123 123 GLY N N 123 110.478 110.478 109.829 0.649 18715 12340 1 20 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.051 0.552 18715 12341 1 20 . 1 1 123 123 GLY H H 123 8.414 8.414 8.647 -0.233 18715 12342 1 20 . 1 1 124 124 ASN N N 124 118.602 118.602 119.635 -1.033 18715 12343 1 20 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.736 -0.128 18715 12344 1 20 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.245 1.488 18715 12345 1 20 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.244 -0.706 18715 12346 1 20 . 1 1 124 124 ASN H H 124 8.266 8.266 8.136 0.130 18715 12347 1 20 . 1 1 125 125 ASN N N 125 119.228 119.228 119.083 0.145 18715 12348 1 20 . 1 1 125 125 ASN HA H 125 4.724 4.724 5.159 -0.435 18715 12349 1 20 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.585 0.868 18715 12350 1 20 . 1 1 125 125 ASN CB C 125 38.813 38.813 40.039 -1.226 18715 12351 1 20 . 1 1 125 125 ASN H H 125 8.443 8.443 8.373 0.070 18715 12352 1 20 . 1 1 126 126 SER N N 126 115.790 115.790 115.433 0.357 18715 12353 1 20 . 1 1 126 126 SER HA H 126 4.388 4.388 4.566 -0.178 18715 12354 1 20 . 1 1 126 126 SER CA C 126 58.851 58.851 57.774 1.077 18715 12355 1 20 . 1 1 126 126 SER CB C 126 63.926 63.926 65.582 -1.656 18715 12356 1 20 . 1 1 126 126 SER H H 126 8.266 8.266 8.101 0.165 18715 12357 1 20 . 1 1 127 127 GLN N N 127 121.728 121.728 125.638 -3.910 18715 12358 1 20 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.477 -0.154 18715 12359 1 20 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.492 0.731 18715 12360 1 20 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.654 0.514 18715 12361 1 20 . 1 1 127 127 GLN H H 127 8.355 8.355 8.659 -0.304 18715 12362 1 20 . 1 1 128 128 VAL N N 128 119.852 119.852 126.344 -6.492 18715 12363 1 20 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.309 -0.200 18715 12364 1 20 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.892 0.773 18715 12365 1 20 . 1 1 128 128 VAL CB C 128 32.769 32.769 31.674 1.095 18715 12366 1 20 . 1 1 128 128 VAL H H 128 7.986 7.986 8.236 -0.250 18715 12367 1 20 . 1 1 129 129 SER N N 129 117.978 117.978 122.364 -4.386 18715 12368 1 20 . 1 1 129 129 SER HA H 129 4.136 4.136 4.634 -0.498 18715 12369 1 20 . 1 1 129 129 SER CA C 129 58.404 58.404 58.081 0.323 18715 12370 1 20 . 1 1 129 129 SER CB C 129 63.755 63.755 63.126 0.629 18715 12371 1 20 . 1 1 129 129 SER H H 129 8.252 8.252 8.547 -0.295 18715 12372 1 20 . 1 1 130 130 GLN N N 130 121.728 121.728 122.950 -1.222 18715 12373 1 20 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.539 -0.184 18715 12374 1 20 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.619 0.531 18715 12375 1 20 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.181 -0.808 18715 12376 1 20 . 1 1 130 130 GLN H H 130 8.355 8.355 8.510 -0.155 18715 12377 1 20 . 1 1 131 131 ASN N N 131 118.290 118.290 120.234 -1.944 18715 12378 1 20 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.793 -0.161 18715 12379 1 20 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.275 1.293 18715 12380 1 20 . 1 1 131 131 ASN H H 131 8.252 8.252 8.445 -0.193 18715 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 126 2.638 0.024 2.649 18715 2 1 1 "Average Difference" HA 138 0.221 0.043 0.218 18715 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18715 4 1 1 "Average Difference" CA 129 1.002 -0.258 0.972 18715 5 1 1 "Average Difference" CB 118 2.794 -0.440 2.771 18715 6 1 1 "Average Difference" HN 126 0.515 -0.153 0.493 18715 7 1 2 "Average Difference" N 126 2.555 -0.145 2.561 18715 8 1 2 "Average Difference" HA 138 0.229 0.018 0.229 18715 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18715 10 1 2 "Average Difference" CA 129 1.153 -0.224 1.135 18715 11 1 2 "Average Difference" CB 118 2.893 -0.478 2.866 18715 12 1 2 "Average Difference" HN 126 0.520 -0.167 0.494 18715 13 1 3 "Average Difference" N 126 2.606 -0.252 2.604 18715 14 1 3 "Average Difference" HA 138 0.246 0.024 0.245 18715 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18715 16 1 3 "Average Difference" CA 129 1.099 -0.255 1.073 18715 17 1 3 "Average Difference" CB 118 2.887 -0.460 2.862 18715 18 1 3 "Average Difference" HN 126 0.508 -0.148 0.488 18715 19 1 4 "Average Difference" N 126 2.689 -0.023 2.700 18715 20 1 4 "Average Difference" HA 138 0.222 0.022 0.221 18715 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18715 22 1 4 "Average Difference" CA 129 1.032 -0.159 1.024 18715 23 1 4 "Average Difference" CB 118 2.816 -0.425 2.796 18715 24 1 4 "Average Difference" HN 126 0.510 -0.152 0.489 18715 25 1 5 "Average Difference" N 126 2.649 -0.057 2.659 18715 26 1 5 "Average Difference" HA 138 0.230 0.036 0.228 18715 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18715 28 1 5 "Average Difference" CA 129 1.094 -0.234 1.073 18715 29 1 5 "Average Difference" CB 118 2.846 -0.475 2.818 18715 30 1 5 "Average Difference" HN 126 0.508 -0.171 0.481 18715 31 1 6 "Average Difference" N 126 2.656 0.087 2.666 18715 32 1 6 "Average Difference" HA 138 0.225 0.022 0.224 18715 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18715 34 1 6 "Average Difference" CA 129 1.049 -0.165 1.040 18715 35 1 6 "Average Difference" CB 118 2.787 -0.463 2.760 18715 36 1 6 "Average Difference" HN 126 0.514 -0.155 0.492 18715 37 1 7 "Average Difference" N 126 2.631 -0.156 2.637 18715 38 1 7 "Average Difference" HA 138 0.218 0.022 0.217 18715 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18715 40 1 7 "Average Difference" CA 129 0.995 -0.176 0.983 18715 41 1 7 "Average Difference" CB 118 2.823 -0.457 2.798 18715 42 1 7 "Average Difference" HN 126 0.495 -0.159 0.470 18715 43 1 8 "Average Difference" N 126 2.627 -0.032 2.638 18715 44 1 8 "Average Difference" HA 138 0.225 0.019 0.225 18715 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18715 46 1 8 "Average Difference" CA 129 1.011 -0.227 0.989 18715 47 1 8 "Average Difference" CB 118 2.940 -0.480 2.913 18715 48 1 8 "Average Difference" HN 126 0.514 -0.151 0.493 18715 49 1 9 "Average Difference" N 126 2.681 0.019 2.692 18715 50 1 9 "Average Difference" HA 138 0.236 0.003 0.237 18715 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18715 52 1 9 "Average Difference" CA 129 1.158 -0.047 1.161 18715 53 1 9 "Average Difference" CB 118 2.865 -0.501 2.833 18715 54 1 9 "Average Difference" HN 126 0.485 -0.137 0.468 18715 55 1 10 "Average Difference" N 126 2.474 -0.255 2.470 18715 56 1 10 "Average Difference" HA 138 0.225 0.033 0.224 18715 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18715 58 1 10 "Average Difference" CA 129 1.080 -0.282 1.046 18715 59 1 10 "Average Difference" CB 118 2.789 -0.418 2.769 18715 60 1 10 "Average Difference" HN 126 0.504 -0.184 0.471 18715 61 1 11 "Average Difference" N 126 2.681 -0.012 2.691 18715 62 1 11 "Average Difference" HA 138 0.237 0.018 0.237 18715 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18715 64 1 11 "Average Difference" CA 129 1.023 -0.107 1.021 18715 65 1 11 "Average Difference" CB 118 2.873 -0.492 2.843 18715 66 1 11 "Average Difference" HN 126 0.507 -0.149 0.487 18715 67 1 12 "Average Difference" N 126 2.615 0.142 2.621 18715 68 1 12 "Average Difference" HA 138 0.228 0.030 0.227 18715 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18715 70 1 12 "Average Difference" CA 129 0.991 -0.111 0.988 18715 71 1 12 "Average Difference" CB 118 2.876 -0.473 2.849 18715 72 1 12 "Average Difference" HN 126 0.486 -0.120 0.473 18715 73 1 13 "Average Difference" N 126 2.590 0.058 2.600 18715 74 1 13 "Average Difference" HA 138 0.226 0.032 0.224 18715 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18715 76 1 13 "Average Difference" CA 129 1.067 -0.231 1.046 18715 77 1 13 "Average Difference" CB 118 2.782 -0.447 2.757 18715 78 1 13 "Average Difference" HN 126 0.493 -0.151 0.471 18715 79 1 14 "Average Difference" N 126 2.660 -0.073 2.670 18715 80 1 14 "Average Difference" HA 138 0.219 0.023 0.219 18715 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18715 82 1 14 "Average Difference" CA 129 1.033 -0.119 1.030 18715 83 1 14 "Average Difference" CB 118 2.861 -0.525 2.825 18715 84 1 14 "Average Difference" HN 126 0.528 -0.163 0.505 18715 85 1 15 "Average Difference" N 126 2.654 -0.092 2.663 18715 86 1 15 "Average Difference" HA 138 0.213 0.020 0.213 18715 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18715 88 1 15 "Average Difference" CA 129 1.028 -0.162 1.019 18715 89 1 15 "Average Difference" CB 118 2.867 -0.475 2.840 18715 90 1 15 "Average Difference" HN 126 0.526 -0.144 0.508 18715 91 1 16 "Average Difference" N 126 2.668 -0.138 2.675 18715 92 1 16 "Average Difference" HA 138 0.236 0.053 0.230 18715 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18715 94 1 16 "Average Difference" CA 129 1.034 -0.290 0.996 18715 95 1 16 "Average Difference" CB 118 2.834 -0.415 2.816 18715 96 1 16 "Average Difference" HN 126 0.512 -0.136 0.496 18715 97 1 17 "Average Difference" N 126 2.492 -0.173 2.496 18715 98 1 17 "Average Difference" HA 138 0.232 0.026 0.232 18715 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18715 100 1 17 "Average Difference" CA 129 1.101 -0.124 1.098 18715 101 1 17 "Average Difference" CB 118 2.807 -0.446 2.784 18715 102 1 17 "Average Difference" HN 126 0.559 -0.090 0.554 18715 103 1 18 "Average Difference" N 126 2.756 0.040 2.767 18715 104 1 18 "Average Difference" HA 138 0.223 0.037 0.220 18715 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18715 106 1 18 "Average Difference" CA 129 1.035 -0.217 1.015 18715 107 1 18 "Average Difference" CB 118 2.828 -0.478 2.799 18715 108 1 18 "Average Difference" HN 126 0.530 -0.169 0.504 18715 109 1 19 "Average Difference" N 126 2.754 0.220 2.756 18715 110 1 19 "Average Difference" HA 138 0.223 0.000 0.224 18715 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18715 112 1 19 "Average Difference" CA 129 1.004 -0.124 1.000 18715 113 1 19 "Average Difference" CB 118 2.825 -0.512 2.790 18715 114 1 19 "Average Difference" HN 126 0.489 -0.155 0.465 18715 115 1 20 "Average Difference" N 126 2.860 -0.002 2.871 18715 116 1 20 "Average Difference" HA 138 0.239 0.041 0.237 18715 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18715 118 1 20 "Average Difference" CA 129 1.085 -0.254 1.059 18715 119 1 20 "Average Difference" CB 118 2.843 -0.401 2.826 18715 120 1 20 "Average Difference" HN 126 0.492 -0.159 0.468 18715 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 18715 _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 3 3 ALA N N 3 123.842 123.842 123.760 0.082 18715 2 1 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.530 -0.202 18715 3 1 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.098 0.439 18715 4 1 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.375 -2.124 18715 5 1 . 1 1 3 3 ALA H H 3 8.183 8.183 8.357 -0.174 18715 6 1 . 1 1 4 4 ARG N N 4 120.165 120.165 120.532 -0.367 18715 7 1 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.395 -0.139 18715 8 1 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.306 -0.341 18715 9 1 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.269 0.692 18715 10 1 . 1 1 4 4 ARG H H 4 8.429 8.429 8.502 -0.073 18715 11 1 . 1 1 5 5 ALA N N 5 125.165 125.165 125.228 -0.063 18715 12 1 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.511 -0.229 18715 13 1 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.856 0.515 18715 14 1 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.840 -0.168 18715 15 1 . 1 1 5 5 ALA H H 5 8.370 8.370 8.245 0.125 18715 16 1 . 1 1 6 6 SER N N 6 114.540 114.540 116.712 -2.171 18715 17 1 . 1 1 6 6 SER HA H 6 4.479 4.479 4.542 -0.063 18715 18 1 . 1 1 6 6 SER CA C 6 57.804 57.804 57.967 -0.163 18715 19 1 . 1 1 6 6 SER CB C 6 64.034 64.034 63.902 0.132 18715 20 1 . 1 1 6 6 SER H H 6 8.134 8.134 8.283 -0.149 18715 21 1 . 1 1 7 7 VAL N N 7 121.415 121.415 121.937 -0.522 18715 22 1 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.016 -0.399 18715 23 1 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.504 2.207 18715 24 1 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.220 -0.284 18715 25 1 . 1 1 7 7 VAL H H 7 8.119 8.119 8.217 -0.098 18715 26 1 . 1 1 8 8 LEU N N 8 115.478 115.478 118.604 -3.126 18715 27 1 . 1 1 8 8 LEU HA H 8 4.932 4.932 4.748 0.184 18715 28 1 . 1 1 8 8 LEU CA C 8 52.507 52.507 53.310 -0.803 18715 29 1 . 1 1 8 8 LEU CB C 8 44.303 44.303 43.278 1.025 18715 30 1 . 1 1 8 8 LEU H H 8 7.382 7.382 7.598 -0.216 18715 31 1 . 1 1 9 9 SER N N 9 118.290 118.290 119.292 -1.002 18715 32 1 . 1 1 9 9 SER HA H 9 4.606 4.606 4.506 0.100 18715 33 1 . 1 1 9 9 SER CA C 9 57.197 57.197 57.626 -0.429 18715 34 1 . 1 1 9 9 SER CB C 9 65.426 65.426 65.099 0.327 18715 35 1 . 1 1 9 9 SER H H 9 9.166 9.166 8.866 0.300 18715 36 1 . 1 1 10 10 GLY N N 10 109.228 109.228 108.649 0.579 18715 37 1 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.011 0.663 18715 38 1 . 1 1 10 10 GLY H H 10 8.959 8.959 8.688 0.271 18715 39 1 . 1 1 11 11 GLY N N 11 111.102 111.102 109.828 1.274 18715 40 1 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.451 0.210 18715 41 1 . 1 1 11 11 GLY H H 11 8.782 8.782 7.854 0.928 18715 42 1 . 1 1 12 12 GLU N N 12 120.165 120.165 122.114 -1.949 18715 43 1 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.026 -0.076 18715 44 1 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.665 0.431 18715 45 1 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.483 1.807 18715 46 1 . 1 1 12 12 GLU H H 12 7.751 7.751 7.583 0.168 18715 47 1 . 1 1 13 13 LEU N N 13 121.415 121.415 121.544 -0.129 18715 48 1 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.043 0.065 18715 49 1 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.308 -0.246 18715 50 1 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.859 -0.923 18715 51 1 . 1 1 13 13 LEU H H 13 8.340 8.340 8.396 -0.056 18715 52 1 . 1 1 14 14 ASP N N 14 116.415 116.415 119.246 -2.831 18715 53 1 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.341 0.052 18715 54 1 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.756 -0.620 18715 55 1 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.627 0.459 18715 56 1 . 1 1 14 14 ASP H H 14 7.574 7.574 7.825 -0.251 18715 57 1 . 1 1 15 15 LYS N N 15 115.478 115.478 119.786 -4.308 18715 58 1 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.107 -0.061 18715 59 1 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.227 -0.825 18715 60 1 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.293 0.066 18715 61 1 . 1 1 15 15 LYS H H 15 7.117 7.117 7.540 -0.423 18715 62 1 . 1 1 16 16 TRP N N 16 121.693 121.693 121.436 0.257 18715 63 1 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.156 -0.131 18715 64 1 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.682 -0.396 18715 65 1 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.522 1.591 18715 66 1 . 1 1 16 16 TRP H H 16 8.646 8.646 8.398 0.248 18715 67 1 . 1 1 17 17 GLU N N 17 127.710 127.710 116.394 11.316 18715 68 1 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.361 0.330 18715 69 1 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.710 -1.941 18715 70 1 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.503 0.242 18715 71 1 . 1 1 17 17 GLU H H 17 7.571 7.571 8.167 -0.596 18715 72 1 . 1 1 18 18 LYS N N 18 115.790 115.790 118.739 -2.949 18715 73 1 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.209 0.288 18715 74 1 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.446 -1.877 18715 75 1 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.107 0.832 18715 76 1 . 1 1 18 18 LYS H H 18 7.456 7.456 7.364 0.092 18715 77 1 . 1 1 19 19 ILE N N 19 124.228 124.228 120.103 4.125 18715 78 1 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.974 -0.417 18715 79 1 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.335 -0.215 18715 80 1 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.826 0.356 18715 81 1 . 1 1 19 19 ILE H H 19 7.633 7.633 8.009 -0.376 18715 82 1 . 1 1 20 20 ARG N N 20 125.790 125.790 124.320 1.470 18715 83 1 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.492 -0.064 18715 84 1 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.923 1.572 18715 85 1 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.680 -0.143 18715 86 1 . 1 1 20 20 ARG H H 20 8.031 8.031 8.255 -0.224 18715 87 1 . 1 1 21 21 LEU N N 21 120.165 120.165 120.379 -0.214 18715 88 1 . 1 1 21 21 LEU HA H 21 3.446 3.446 3.809 -0.363 18715 89 1 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.943 1.292 18715 90 1 . 1 1 21 21 LEU CB C 21 41.535 41.535 42.005 -0.470 18715 91 1 . 1 1 21 21 LEU H H 21 7.810 7.810 8.033 -0.223 18715 92 1 . 1 1 22 22 ARG N N 22 119.540 119.540 115.280 4.260 18715 93 1 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.639 0.206 18715 94 1 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.400 -0.555 18715 95 1 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.149 -0.532 18715 96 1 . 1 1 22 22 ARG H H 22 8.974 8.974 7.541 1.433 18715 97 1 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.478 -0.118 18715 98 1 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.423 -0.987 18715 99 1 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.191 -0.626 18715 100 1 . 1 1 24 24 GLY N N 24 112.665 112.665 107.173 5.492 18715 101 1 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.572 1.233 18715 102 1 . 1 1 24 24 GLY H H 24 9.138 9.138 8.108 1.030 18715 103 1 . 1 1 25 25 GLY N N 25 107.978 107.978 107.960 0.018 18715 104 1 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.552 0.020 18715 105 1 . 1 1 25 25 GLY H H 25 8.134 8.134 7.439 0.695 18715 106 1 . 1 1 26 26 LYS N N 26 117.665 117.665 119.460 -1.795 18715 107 1 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.482 -0.218 18715 108 1 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.039 0.814 18715 109 1 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.784 1.272 18715 110 1 . 1 1 26 26 LYS H H 26 8.665 8.665 8.348 0.317 18715 111 1 . 1 1 27 27 LYS N N 27 117.925 117.925 120.053 -2.128 18715 112 1 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.483 -0.172 18715 113 1 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.637 1.574 18715 114 1 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.365 -0.487 18715 115 1 . 1 1 27 27 LYS H H 27 7.817 7.817 7.792 0.025 18715 116 1 . 1 1 28 28 GLN N N 28 122.978 122.978 120.120 2.858 18715 117 1 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.373 0.443 18715 118 1 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.022 -0.549 18715 119 1 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.443 3.611 18715 120 1 . 1 1 28 28 GLN H H 28 8.458 8.458 8.332 0.126 18715 121 1 . 1 1 29 29 TYR N N 29 119.540 119.540 119.392 0.148 18715 122 1 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.473 -0.741 18715 123 1 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.310 1.700 18715 124 1 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.417 -2.201 18715 125 1 . 1 1 29 29 TYR H H 29 7.824 7.824 8.437 -0.613 18715 126 1 . 1 1 30 30 LYS N N 30 117.978 117.978 120.564 -2.586 18715 127 1 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.891 0.325 18715 128 1 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.950 -0.885 18715 129 1 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.143 2.445 18715 130 1 . 1 1 30 30 LYS H H 30 10.610 10.610 9.179 1.431 18715 131 1 . 1 1 31 31 LEU N N 31 128.602 128.602 124.631 3.971 18715 132 1 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.100 0.081 18715 133 1 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.259 0.975 18715 134 1 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.632 -0.630 18715 135 1 . 1 1 31 31 LEU H H 31 9.991 9.991 8.949 1.042 18715 136 1 . 1 1 32 32 LYS N N 32 115.165 115.165 118.697 -3.532 18715 137 1 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.951 0.194 18715 138 1 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.382 -0.285 18715 139 1 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.814 -0.255 18715 140 1 . 1 1 32 32 LYS H H 32 8.399 8.399 8.623 -0.224 18715 141 1 . 1 1 33 33 HIS N N 33 119.540 119.540 117.040 2.500 18715 142 1 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.698 -0.094 18715 143 1 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.501 3.390 18715 144 1 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.545 2.239 18715 145 1 . 1 1 33 33 HIS H H 33 8.193 8.193 7.970 0.223 18715 146 1 . 1 1 34 34 ILE N N 34 119.540 119.540 120.702 -1.162 18715 147 1 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.850 -0.056 18715 148 1 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.883 -1.034 18715 149 1 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.670 -0.691 18715 150 1 . 1 1 34 34 ILE H H 34 7.898 7.898 7.546 0.352 18715 151 1 . 1 1 35 35 VAL N N 35 122.040 122.040 119.350 2.690 18715 152 1 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.777 -0.165 18715 153 1 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.390 0.356 18715 154 1 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.484 0.658 18715 155 1 . 1 1 35 35 VAL H H 35 7.706 7.706 8.553 -0.847 18715 156 1 . 1 1 36 36 TRP N N 36 119.986 119.986 122.213 -2.227 18715 157 1 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.222 0.011 18715 158 1 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.911 0.199 18715 159 1 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.352 -0.940 18715 160 1 . 1 1 36 36 TRP H H 36 8.452 8.452 7.807 0.645 18715 161 1 . 1 1 37 37 ALA N N 37 120.478 120.478 119.637 0.841 18715 162 1 . 1 1 37 37 ALA HA H 37 3.390 3.390 3.687 -0.297 18715 163 1 . 1 1 37 37 ALA CA C 37 55.113 55.113 54.960 0.153 18715 164 1 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.228 -0.798 18715 165 1 . 1 1 37 37 ALA H H 37 8.311 8.311 8.161 0.150 18715 166 1 . 1 1 38 38 SER N N 38 111.415 111.415 114.696 -3.281 18715 167 1 . 1 1 38 38 SER HA H 38 3.906 3.906 4.071 -0.165 18715 168 1 . 1 1 38 38 SER CA C 38 62.801 62.801 61.920 0.881 18715 169 1 . 1 1 38 38 SER CB C 38 62.829 62.829 63.001 -0.172 18715 170 1 . 1 1 38 38 SER H H 38 8.259 8.259 7.654 0.605 18715 171 1 . 1 1 39 39 ARG N N 39 119.852 119.852 120.691 -0.839 18715 172 1 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.037 0.109 18715 173 1 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.837 -0.427 18715 174 1 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.141 -0.133 18715 175 1 . 1 1 39 39 ARG H H 39 7.559 7.559 7.654 -0.095 18715 176 1 . 1 1 40 40 GLU N N 40 121.102 121.102 119.144 1.958 18715 177 1 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.868 -0.081 18715 178 1 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.206 0.075 18715 179 1 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.026 0.648 18715 180 1 . 1 1 40 40 GLU H H 40 8.222 8.222 7.463 0.759 18715 181 1 . 1 1 41 41 LEU N N 41 117.040 117.040 120.777 -3.737 18715 182 1 . 1 1 41 41 LEU HA H 41 3.953 3.953 4.109 -0.156 18715 183 1 . 1 1 41 41 LEU CA C 41 58.323 58.323 57.974 0.349 18715 184 1 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.007 -1.827 18715 185 1 . 1 1 41 41 LEU H H 41 8.016 8.016 7.942 0.074 18715 186 1 . 1 1 42 42 GLU N N 42 117.352 117.352 118.463 -1.111 18715 187 1 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.048 0.079 18715 188 1 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.242 0.329 18715 189 1 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.234 0.431 18715 190 1 . 1 1 42 42 GLU H H 42 7.559 7.559 7.733 -0.174 18715 191 1 . 1 1 43 43 ARG N N 43 119.540 119.540 118.713 0.827 18715 192 1 . 1 1 43 43 ARG HA H 43 4.042 4.042 4.015 0.027 18715 193 1 . 1 1 43 43 ARG CA C 43 58.490 58.490 58.118 0.372 18715 194 1 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.021 -0.356 18715 195 1 . 1 1 43 43 ARG H H 43 7.647 7.647 7.408 0.239 18715 196 1 . 1 1 44 44 PHE N N 44 117.665 117.665 118.382 -0.717 18715 197 1 . 1 1 44 44 PHE HA H 44 4.614 4.614 4.650 -0.036 18715 198 1 . 1 1 44 44 PHE CA C 44 57.358 57.358 56.699 0.659 18715 199 1 . 1 1 44 44 PHE CB C 44 39.166 39.166 38.190 0.976 18715 200 1 . 1 1 44 44 PHE H H 44 7.529 7.529 7.627 -0.098 18715 201 1 . 1 1 45 45 ALA N N 45 118.915 118.915 119.628 -0.713 18715 202 1 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.939 0.076 18715 203 1 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.300 0.114 18715 204 1 . 1 1 45 45 ALA CB C 45 16.279 16.279 16.984 -0.705 18715 205 1 . 1 1 45 45 ALA H H 45 7.928 7.928 7.687 0.241 18715 206 1 . 1 1 46 46 VAL N N 46 119.540 119.540 118.862 0.678 18715 207 1 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.170 -0.075 18715 208 1 . 1 1 46 46 VAL CA C 46 60.821 60.821 60.856 -0.035 18715 209 1 . 1 1 46 46 VAL CB C 46 33.366 33.366 33.213 0.153 18715 210 1 . 1 1 46 46 VAL H H 46 7.765 7.765 7.676 0.089 18715 211 1 . 1 1 47 47 ASN N N 47 125.790 125.790 126.992 -1.202 18715 212 1 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.753 -0.107 18715 213 1 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.463 -1.466 18715 214 1 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.523 0.563 18715 215 1 . 1 1 47 47 ASN H H 47 8.399 8.399 8.860 -0.461 18715 216 1 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.402 -0.180 18715 217 1 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.464 -0.150 18715 218 1 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.870 -0.130 18715 219 1 . 1 1 49 49 GLY N N 49 108.290 108.290 107.495 0.795 18715 220 1 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.926 0.604 18715 221 1 . 1 1 49 49 GLY H H 49 8.620 8.620 8.452 0.168 18715 222 1 . 1 1 50 50 LEU N N 50 121.728 121.728 120.597 1.131 18715 223 1 . 1 1 50 50 LEU HA H 50 4.146 4.146 4.238 -0.092 18715 224 1 . 1 1 50 50 LEU CA C 50 57.241 57.241 55.831 1.410 18715 225 1 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.980 -0.417 18715 226 1 . 1 1 50 50 LEU H H 50 7.765 7.765 7.435 0.330 18715 227 1 . 1 1 51 51 LEU N N 51 112.040 112.040 118.280 -6.240 18715 228 1 . 1 1 51 51 LEU HA H 51 4.238 4.238 4.189 0.049 18715 229 1 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.964 -0.457 18715 230 1 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.133 0.357 18715 231 1 . 1 1 51 51 LEU H H 51 7.412 7.412 7.601 -0.189 18715 232 1 . 1 1 52 52 GLU N N 52 114.540 114.540 114.420 0.120 18715 233 1 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.310 -0.255 18715 234 1 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.888 2.496 18715 235 1 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.384 1.675 18715 236 1 . 1 1 52 52 GLU H H 52 7.500 7.500 7.835 -0.335 18715 237 1 . 1 1 53 53 THR N N 53 122.978 122.978 111.537 11.441 18715 238 1 . 1 1 53 53 THR HA H 53 4.402 4.402 4.468 -0.066 18715 239 1 . 1 1 53 53 THR CA C 53 58.306 58.306 60.137 -1.831 18715 240 1 . 1 1 53 53 THR CB C 53 73.222 73.222 71.593 1.629 18715 241 1 . 1 1 53 53 THR H H 53 7.235 7.235 7.474 -0.239 18715 242 1 . 1 1 54 54 SER N N 54 119.228 119.228 121.813 -2.585 18715 243 1 . 1 1 54 54 SER HA H 54 4.043 4.043 4.241 -0.198 18715 244 1 . 1 1 54 54 SER CA C 54 62.657 62.657 61.528 1.130 18715 245 1 . 1 1 54 54 SER CB C 54 62.562 62.562 62.901 -0.339 18715 246 1 . 1 1 54 54 SER H H 54 9.313 9.313 8.896 0.417 18715 247 1 . 1 1 55 55 GLU N N 55 121.233 121.233 120.929 0.304 18715 248 1 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.337 -0.268 18715 249 1 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.575 1.100 18715 250 1 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.580 -0.581 18715 251 1 . 1 1 55 55 GLU H H 55 8.975 8.975 8.417 0.558 18715 252 1 . 1 1 56 56 GLY N N 56 110.790 110.790 108.483 2.307 18715 253 1 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.281 0.585 18715 254 1 . 1 1 56 56 GLY H H 56 8.517 8.517 8.242 0.275 18715 255 1 . 1 1 57 57 CYS N N 57 118.602 118.602 119.905 -1.303 18715 256 1 . 1 1 57 57 CYS HA H 57 4.020 4.020 4.131 -0.111 18715 257 1 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.668 0.934 18715 258 1 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.492 20.303 18715 259 1 . 1 1 57 57 CYS H H 57 8.122 8.122 8.077 0.045 18715 260 1 . 1 1 58 58 ARG N N 58 119.540 119.540 119.371 0.169 18715 261 1 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.621 -0.071 18715 262 1 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.469 0.238 18715 263 1 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.853 -0.404 18715 264 1 . 1 1 58 58 ARG H H 58 8.488 8.488 7.732 0.756 18715 265 1 . 1 1 59 59 GLN N N 59 119.852 119.852 118.396 1.455 18715 266 1 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.092 -0.040 18715 267 1 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.745 0.655 18715 268 1 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.644 -0.410 18715 269 1 . 1 1 59 59 GLN H H 59 8.016 8.016 7.596 0.420 18715 270 1 . 1 1 60 60 ILE N N 60 120.790 120.790 120.110 0.680 18715 271 1 . 1 1 60 60 ILE HA H 60 3.611 3.611 3.715 -0.104 18715 272 1 . 1 1 60 60 ILE CA C 60 65.590 65.590 65.112 0.478 18715 273 1 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.973 -0.123 18715 274 1 . 1 1 60 60 ILE H H 60 8.163 8.163 8.057 0.106 18715 275 1 . 1 1 61 61 LEU N N 61 118.915 118.915 119.065 -0.150 18715 276 1 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.157 -0.262 18715 277 1 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.581 1.073 18715 278 1 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.253 -0.477 18715 279 1 . 1 1 61 61 LEU H H 61 8.370 8.370 8.131 0.239 18715 280 1 . 1 1 62 62 GLY N N 62 104.332 104.332 106.768 -2.436 18715 281 1 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.884 0.300 18715 282 1 . 1 1 62 62 GLY H H 62 7.883 7.883 7.991 -0.108 18715 283 1 . 1 1 63 63 GLN N N 63 119.852 119.852 118.849 1.003 18715 284 1 . 1 1 63 63 GLN HA H 63 4.152 4.152 4.315 -0.163 18715 285 1 . 1 1 63 63 GLN CA C 63 57.994 57.994 57.467 0.527 18715 286 1 . 1 1 63 63 GLN CB C 63 29.199 29.199 29.140 0.059 18715 287 1 . 1 1 63 63 GLN H H 63 7.795 7.795 7.640 0.155 18715 288 1 . 1 1 64 64 LEU N N 64 117.040 117.040 119.807 -2.767 18715 289 1 . 1 1 64 64 LEU HA H 64 4.281 4.281 4.079 0.202 18715 290 1 . 1 1 64 64 LEU CA C 64 56.101 56.101 56.601 -0.500 18715 291 1 . 1 1 64 64 LEU CB C 64 44.243 44.243 41.954 2.289 18715 292 1 . 1 1 64 64 LEU H H 64 8.252 8.252 7.487 0.765 18715 293 1 . 1 1 65 65 GLN N N 65 118.915 118.915 119.435 -0.520 18715 294 1 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.840 -0.061 18715 295 1 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.610 0.937 18715 296 1 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.929 -1.065 18715 297 1 . 1 1 65 65 GLN H H 65 8.104 8.104 8.347 -0.243 18715 298 1 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.332 0.051 18715 299 1 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.814 1.103 18715 300 1 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.203 -0.104 18715 301 1 . 1 1 67 67 SER N N 67 111.415 111.415 113.560 -2.145 18715 302 1 . 1 1 67 67 SER HA H 67 4.493 4.493 4.384 0.109 18715 303 1 . 1 1 67 67 SER CA C 67 59.696 59.696 59.717 -0.021 18715 304 1 . 1 1 67 67 SER CB C 67 64.031 64.031 63.002 1.029 18715 305 1 . 1 1 67 67 SER H H 67 7.824 7.824 7.552 0.272 18715 306 1 . 1 1 68 68 LEU N N 68 121.102 121.102 121.763 -0.661 18715 307 1 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.840 -0.024 18715 308 1 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.807 0.141 18715 309 1 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.428 0.342 18715 310 1 . 1 1 68 68 LEU H H 68 7.647 7.647 7.851 -0.204 18715 311 1 . 1 1 69 69 GLN N N 69 116.415 116.415 118.964 -2.549 18715 312 1 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.075 -0.006 18715 313 1 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.303 0.167 18715 314 1 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.922 -0.494 18715 315 1 . 1 1 69 69 GLN H H 69 8.060 8.060 8.309 -0.249 18715 316 1 . 1 1 70 70 THR N N 70 106.728 106.728 110.626 -3.898 18715 317 1 . 1 1 70 70 THR HA H 70 4.481 4.481 4.537 -0.056 18715 318 1 . 1 1 70 70 THR CA C 70 61.291 61.291 61.198 0.093 18715 319 1 . 1 1 70 70 THR CB C 70 69.415 69.415 68.976 0.439 18715 320 1 . 1 1 70 70 THR H H 70 7.515 7.515 7.733 -0.218 18715 321 1 . 1 1 71 71 GLY N N 71 109.540 109.540 110.299 -0.759 18715 322 1 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.173 1.380 18715 323 1 . 1 1 71 71 GLY H H 71 7.692 7.692 7.438 0.254 18715 324 1 . 1 1 72 72 SER N N 72 114.540 114.540 115.221 -0.681 18715 325 1 . 1 1 72 72 SER HA H 72 4.625 4.625 4.686 -0.061 18715 326 1 . 1 1 72 72 SER CA C 72 57.319 57.319 57.058 0.261 18715 327 1 . 1 1 72 72 SER CB C 72 64.599 64.599 65.310 -0.711 18715 328 1 . 1 1 72 72 SER H H 72 8.045 8.045 7.984 0.061 18715 329 1 . 1 1 73 73 GLU N N 73 124.228 124.228 120.900 3.328 18715 330 1 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.031 0.056 18715 331 1 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.114 -0.734 18715 332 1 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.539 -0.237 18715 333 1 . 1 1 73 73 GLU H H 73 9.092 9.092 8.952 0.140 18715 334 1 . 1 1 74 74 GLU N N 74 120.165 120.165 119.312 0.853 18715 335 1 . 1 1 74 74 GLU HA H 74 4.289 4.289 4.381 -0.092 18715 336 1 . 1 1 74 74 GLU CA C 74 60.228 60.228 59.369 0.859 18715 337 1 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.693 -0.231 18715 338 1 . 1 1 74 74 GLU H H 74 8.665 8.665 7.855 0.810 18715 339 1 . 1 1 75 75 LEU N N 75 121.415 121.415 120.835 0.580 18715 340 1 . 1 1 75 75 LEU HA H 75 4.161 4.161 4.047 0.114 18715 341 1 . 1 1 75 75 LEU CA C 75 57.953 57.953 58.141 -0.188 18715 342 1 . 1 1 75 75 LEU CB C 75 41.268 41.268 42.022 -0.754 18715 343 1 . 1 1 75 75 LEU H H 75 7.765 7.765 7.605 0.160 18715 344 1 . 1 1 76 76 ARG N N 76 119.228 119.228 119.178 0.050 18715 345 1 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.984 -0.051 18715 346 1 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.778 -0.096 18715 347 1 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.086 -0.889 18715 348 1 . 1 1 76 76 ARG H H 76 7.868 7.868 8.410 -0.542 18715 349 1 . 1 1 77 77 SER N N 77 114.228 114.228 116.024 -1.796 18715 350 1 . 1 1 77 77 SER HA H 77 4.263 4.263 4.172 0.091 18715 351 1 . 1 1 77 77 SER CA C 77 62.668 62.668 62.356 0.312 18715 352 1 . 1 1 77 77 SER CB C 77 62.849 62.849 62.971 -0.122 18715 353 1 . 1 1 77 77 SER H H 77 8.576 8.576 8.159 0.417 18715 354 1 . 1 1 78 78 LEU N N 78 125.790 125.790 123.339 2.451 18715 355 1 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.303 0.118 18715 356 1 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.052 0.910 18715 357 1 . 1 1 78 78 LEU CB C 78 42.043 42.043 41.299 0.744 18715 358 1 . 1 1 78 78 LEU H H 78 8.458 8.458 8.052 0.406 18715 359 1 . 1 1 79 79 TYR N N 79 119.852 119.852 119.465 0.387 18715 360 1 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.056 -0.395 18715 361 1 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.820 0.982 18715 362 1 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.295 0.899 18715 363 1 . 1 1 79 79 TYR H H 79 8.694 8.694 8.390 0.304 18715 364 1 . 1 1 80 80 ASN N N 80 117.040 117.040 117.545 -0.505 18715 365 1 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.494 -0.210 18715 366 1 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.379 -0.592 18715 367 1 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.234 -0.395 18715 368 1 . 1 1 80 80 ASN H H 80 8.871 8.871 8.112 0.759 18715 369 1 . 1 1 81 81 THR N N 81 115.790 115.790 118.555 -2.765 18715 370 1 . 1 1 81 81 THR HA H 81 3.945 3.945 4.274 -0.329 18715 371 1 . 1 1 81 81 THR CA C 81 67.855 67.855 67.274 0.581 18715 372 1 . 1 1 81 81 THR CB C 81 69.140 69.140 69.088 0.052 18715 373 1 . 1 1 81 81 THR H H 81 8.119 8.119 8.171 -0.052 18715 374 1 . 1 1 82 82 ILE N N 82 121.102 121.102 121.079 0.023 18715 375 1 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.775 -0.107 18715 376 1 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.428 -0.908 18715 377 1 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.356 -0.871 18715 378 1 . 1 1 82 82 ILE H H 82 8.090 8.090 8.743 -0.653 18715 379 1 . 1 1 83 83 ALA N N 83 125.165 125.165 122.884 2.281 18715 380 1 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.921 -0.030 18715 381 1 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.182 0.673 18715 382 1 . 1 1 83 83 ALA CB C 83 17.848 17.848 17.966 -0.118 18715 383 1 . 1 1 83 83 ALA H H 83 8.782 8.782 7.403 1.379 18715 384 1 . 1 1 84 84 VAL N N 84 117.665 117.665 119.029 -1.364 18715 385 1 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.604 -0.276 18715 386 1 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.362 1.103 18715 387 1 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.125 -0.430 18715 388 1 . 1 1 84 84 VAL H H 84 7.795 7.795 7.585 0.210 18715 389 1 . 1 1 85 85 LEU N N 85 122.040 122.040 120.786 1.254 18715 390 1 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.947 -0.132 18715 391 1 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.272 0.038 18715 392 1 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.755 0.393 18715 393 1 . 1 1 85 85 LEU H H 85 8.163 8.163 8.204 -0.041 18715 394 1 . 1 1 86 86 TYR N N 86 118.915 118.915 120.212 -1.297 18715 395 1 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.063 -0.151 18715 396 1 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.551 1.267 18715 397 1 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.026 0.261 18715 398 1 . 1 1 86 86 TYR H H 86 9.062 9.062 8.117 0.945 18715 399 1 . 1 1 87 87 CYS N N 87 116.102 116.102 116.443 -0.341 18715 400 1 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.815 -0.021 18715 401 1 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.095 1.871 18715 402 1 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.590 19.967 18715 403 1 . 1 1 87 87 CYS H H 87 7.515 7.515 8.197 -0.682 18715 404 1 . 1 1 88 88 VAL N N 88 119.978 119.978 119.609 0.369 18715 405 1 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.803 0.075 18715 406 1 . 1 1 88 88 VAL CA C 88 66.446 66.446 65.929 0.517 18715 407 1 . 1 1 88 88 VAL CB C 88 31.496 31.496 31.429 0.067 18715 408 1 . 1 1 88 88 VAL H H 88 8.448 8.448 7.491 0.957 18715 409 1 . 1 1 89 89 HIS N N 89 118.915 118.915 115.437 3.478 18715 410 1 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.532 0.343 18715 411 1 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.909 0.211 18715 412 1 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.282 -0.199 18715 413 1 . 1 1 89 89 HIS H H 89 8.797 8.797 7.465 1.332 18715 414 1 . 1 1 90 90 GLN N N 90 116.728 116.728 117.486 -0.758 18715 415 1 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.252 0.133 18715 416 1 . 1 1 90 90 GLN CA C 90 55.289 55.289 55.835 -0.546 18715 417 1 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.324 1.628 18715 418 1 . 1 1 90 90 GLN H H 90 7.986 7.986 7.529 0.457 18715 419 1 . 1 1 91 91 ARG N N 91 115.165 115.165 115.644 -0.479 18715 420 1 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.115 -0.102 18715 421 1 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.724 0.460 18715 422 1 . 1 1 91 91 ARG CB C 91 26.049 26.049 29.293 -3.244 18715 423 1 . 1 1 91 91 ARG H H 91 7.883 7.883 7.724 0.159 18715 424 1 . 1 1 92 92 ILE N N 92 120.087 120.087 121.435 -1.348 18715 425 1 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.118 -0.133 18715 426 1 . 1 1 92 92 ILE CA C 92 60.656 60.656 61.398 -0.742 18715 427 1 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.120 -0.190 18715 428 1 . 1 1 92 92 ILE H H 92 8.335 8.335 8.015 0.320 18715 429 1 . 1 1 93 93 ASP N N 93 129.228 129.228 126.821 2.407 18715 430 1 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.842 -0.356 18715 431 1 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.955 2.088 18715 432 1 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.134 -0.738 18715 433 1 . 1 1 93 93 ASP H H 93 8.620 8.620 8.508 0.112 18715 434 1 . 1 1 94 94 VAL N N 94 115.790 115.790 117.137 -1.347 18715 435 1 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.262 0.371 18715 436 1 . 1 1 94 94 VAL CA C 94 59.120 59.120 60.898 -1.778 18715 437 1 . 1 1 94 94 VAL CB C 94 35.512 35.512 33.443 2.069 18715 438 1 . 1 1 94 94 VAL H H 94 7.751 7.751 7.844 -0.093 18715 439 1 . 1 1 95 95 LYS N N 95 118.915 118.915 119.706 -0.791 18715 440 1 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.335 0.058 18715 441 1 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.456 -0.785 18715 442 1 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.510 0.498 18715 443 1 . 1 1 95 95 LYS H H 95 9.239 9.239 8.681 0.558 18715 444 1 . 1 1 96 96 ASP N N 96 112.040 112.040 113.836 -1.796 18715 445 1 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.309 0.253 18715 446 1 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.636 0.193 18715 447 1 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.259 1.345 18715 448 1 . 1 1 96 96 ASP H H 96 7.412 7.412 7.620 -0.208 18715 449 1 . 1 1 97 97 THR N N 97 109.540 109.540 114.324 -4.784 18715 450 1 . 1 1 97 97 THR HA H 97 3.661 3.661 4.027 -0.366 18715 451 1 . 1 1 97 97 THR CA C 97 65.947 65.947 66.530 -0.583 18715 452 1 . 1 1 97 97 THR CB C 97 70.285 70.285 68.955 1.330 18715 453 1 . 1 1 97 97 THR H H 97 7.250 7.250 8.305 -1.055 18715 454 1 . 1 1 98 98 LYS N N 98 121.102 121.102 122.161 -1.059 18715 455 1 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.959 -0.014 18715 456 1 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.798 -0.170 18715 457 1 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.040 -0.113 18715 458 1 . 1 1 98 98 LYS H H 98 7.868 7.868 8.171 -0.303 18715 459 1 . 1 1 99 99 GLU N N 99 119.228 119.228 118.643 0.585 18715 460 1 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.040 0.037 18715 461 1 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.438 0.357 18715 462 1 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.466 0.780 18715 463 1 . 1 1 99 99 GLU H H 99 8.384 8.384 8.611 -0.227 18715 464 1 . 1 1 100 100 ALA N N 100 118.915 118.915 121.902 -2.987 18715 465 1 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.127 0.259 18715 466 1 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.889 0.507 18715 467 1 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.520 1.239 18715 468 1 . 1 1 100 100 ALA H H 100 7.382 7.382 7.495 -0.113 18715 469 1 . 1 1 101 101 LEU N N 101 117.978 117.978 118.780 -0.802 18715 470 1 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.986 0.034 18715 471 1 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.857 0.117 18715 472 1 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.374 0.119 18715 473 1 . 1 1 101 101 LEU H H 101 8.119 8.119 7.936 0.183 18715 474 1 . 1 1 102 102 ASP N N 102 120.478 120.478 119.318 1.160 18715 475 1 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.380 -0.013 18715 476 1 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.585 -0.233 18715 477 1 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.663 -0.941 18715 478 1 . 1 1 102 102 ASP H H 102 8.679 8.679 8.077 0.602 18715 479 1 . 1 1 103 103 LYS N N 103 120.165 120.165 119.551 0.614 18715 480 1 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.128 0.036 18715 481 1 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.162 -0.798 18715 482 1 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.430 -0.898 18715 483 1 . 1 1 103 103 LYS H H 103 8.207 8.207 7.673 0.534 18715 484 1 . 1 1 104 104 ILE N N 104 119.852 119.852 119.298 0.554 18715 485 1 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.824 -0.014 18715 486 1 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.936 -0.327 18715 487 1 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.928 -0.494 18715 488 1 . 1 1 104 104 ILE H H 104 8.163 8.163 7.754 0.409 18715 489 1 . 1 1 105 105 GLU N N 105 121.415 121.415 120.518 0.897 18715 490 1 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.997 0.038 18715 491 1 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.730 -0.096 18715 492 1 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.580 3.176 18715 493 1 . 1 1 105 105 GLU H H 105 8.001 8.001 8.217 -0.216 18715 494 1 . 1 1 106 106 GLU N N 106 119.228 119.228 119.234 -0.006 18715 495 1 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.069 0.021 18715 496 1 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.368 -0.102 18715 497 1 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.622 -0.024 18715 498 1 . 1 1 106 106 GLU H H 106 8.031 8.031 8.022 0.009 18715 499 1 . 1 1 107 107 GLU N N 107 118.915 118.915 119.018 -0.103 18715 500 1 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.081 -0.008 18715 501 1 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.232 0.109 18715 502 1 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.656 0.214 18715 503 1 . 1 1 107 107 GLU H H 107 8.016 8.016 7.817 0.199 18715 504 1 . 1 1 108 108 GLN N N 108 118.290 118.290 118.259 0.031 18715 505 1 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.143 0.004 18715 506 1 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.290 0.117 18715 507 1 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.676 0.169 18715 508 1 . 1 1 108 108 GLN H H 108 8.252 8.252 7.763 0.489 18715 509 1 . 1 1 109 109 ASN N N 109 118.290 118.290 118.903 -0.613 18715 510 1 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.430 0.187 18715 511 1 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.265 -1.383 18715 512 1 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.466 0.059 18715 513 1 . 1 1 109 109 ASN H H 109 8.252 8.252 8.035 0.217 18715 514 1 . 1 1 110 110 LYS N N 110 120.478 120.478 119.453 1.025 18715 515 1 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.046 0.184 18715 516 1 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.384 -1.073 18715 517 1 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.390 0.301 18715 518 1 . 1 1 110 110 LYS H H 110 8.031 8.031 7.844 0.187 18715 519 1 . 1 1 111 111 SER N N 111 114.540 114.540 114.479 0.061 18715 520 1 . 1 1 111 111 SER HA H 111 4.368 4.368 4.270 0.098 18715 521 1 . 1 1 111 111 SER CA C 111 59.764 59.764 61.143 -1.379 18715 522 1 . 1 1 111 111 SER CB C 111 63.442 63.442 63.068 0.375 18715 523 1 . 1 1 111 111 SER H H 111 8.031 8.031 7.781 0.250 18715 524 1 . 1 1 112 112 LYS N N 112 122.040 122.040 121.120 0.920 18715 525 1 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.085 0.160 18715 526 1 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.875 -1.546 18715 527 1 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.417 0.358 18715 528 1 . 1 1 112 112 LYS H H 112 7.957 7.957 7.709 0.248 18715 529 1 . 1 1 113 113 LYS N N 113 120.790 120.790 118.100 2.690 18715 530 1 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.148 0.002 18715 531 1 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.777 0.357 18715 532 1 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.513 0.253 18715 533 1 . 1 1 113 113 LYS H H 113 8.016 8.016 7.721 0.295 18715 534 1 . 1 1 114 114 LYS N N 114 121.728 121.728 118.465 3.263 18715 535 1 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.222 0.041 18715 536 1 . 1 1 114 114 LYS CA C 114 57.185 57.185 57.744 -0.559 18715 537 1 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.585 0.272 18715 538 1 . 1 1 114 114 LYS H H 114 8.119 8.119 7.660 0.459 18715 539 1 . 1 1 115 115 ALA N N 115 124.228 124.228 120.738 3.490 18715 540 1 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.455 -0.187 18715 541 1 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.758 0.277 18715 542 1 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.793 0.245 18715 543 1 . 1 1 115 115 ALA H H 115 8.178 8.178 7.613 0.565 18715 544 1 . 1 1 116 116 GLN N N 116 119.228 119.228 117.750 1.478 18715 545 1 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.380 -0.132 18715 546 1 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.102 0.448 18715 547 1 . 1 1 116 116 GLN H H 116 8.237 8.237 7.931 0.306 18715 548 1 . 1 1 117 117 GLN N N 117 120.478 120.478 118.736 1.742 18715 549 1 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.158 0.111 18715 550 1 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.702 -1.378 18715 551 1 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.544 1.062 18715 552 1 . 1 1 117 117 GLN H H 117 8.266 8.266 8.263 0.003 18715 553 1 . 1 1 118 118 ALA N N 118 124.852 124.852 121.586 3.266 18715 554 1 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.294 -0.018 18715 555 1 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.296 -0.459 18715 556 1 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.487 0.575 18715 557 1 . 1 1 118 118 ALA H H 118 8.266 8.266 8.231 0.035 18715 558 1 . 1 1 119 119 ALA N N 119 122.978 122.978 120.488 2.490 18715 559 1 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.433 -0.139 18715 560 1 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.192 0.445 18715 561 1 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.784 1.417 18715 562 1 . 1 1 119 119 ALA H H 119 8.163 8.163 8.102 0.061 18715 563 1 . 1 1 120 120 ALA N N 120 122.665 122.665 122.290 0.375 18715 564 1 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.385 -0.108 18715 565 1 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.614 0.122 18715 566 1 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.699 -0.532 18715 567 1 . 1 1 120 120 ALA H H 120 8.163 8.163 7.757 0.406 18715 568 1 . 1 1 121 121 ASP N N 121 119.228 119.228 119.788 -0.560 18715 569 1 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.674 0.008 18715 570 1 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.489 -0.225 18715 571 1 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.884 0.244 18715 572 1 . 1 1 121 121 ASP H H 121 8.252 8.252 8.372 -0.120 18715 573 1 . 1 1 122 122 THR N N 122 113.602 113.602 113.399 0.203 18715 574 1 . 1 1 122 122 THR HA H 122 4.358 4.358 4.340 0.018 18715 575 1 . 1 1 122 122 THR CA C 122 61.971 61.971 61.759 0.212 18715 576 1 . 1 1 122 122 THR CB C 122 69.586 69.586 69.448 0.138 18715 577 1 . 1 1 122 122 THR H H 122 8.075 8.075 7.773 0.302 18715 578 1 . 1 1 123 123 GLY N N 123 110.478 110.478 110.097 0.381 18715 579 1 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.957 0.646 18715 580 1 . 1 1 123 123 GLY H H 123 8.414 8.414 8.463 -0.049 18715 581 1 . 1 1 124 124 ASN N N 124 118.602 118.602 119.095 -0.493 18715 582 1 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.727 -0.119 18715 583 1 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.527 2.206 18715 584 1 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.931 -1.393 18715 585 1 . 1 1 124 124 ASN H H 124 8.266 8.266 8.327 -0.061 18715 586 1 . 1 1 125 125 ASN N N 125 119.228 119.228 119.054 0.174 18715 587 1 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.805 -0.081 18715 588 1 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.220 0.233 18715 589 1 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.163 -0.350 18715 590 1 . 1 1 125 125 ASN H H 125 8.443 8.443 8.481 -0.038 18715 591 1 . 1 1 126 126 SER N N 126 115.790 115.790 116.305 -0.515 18715 592 1 . 1 1 126 126 SER HA H 126 4.388 4.388 4.603 -0.215 18715 593 1 . 1 1 126 126 SER CA C 126 58.851 58.851 57.821 1.030 18715 594 1 . 1 1 126 126 SER CB C 126 63.926 63.926 64.410 -0.484 18715 595 1 . 1 1 126 126 SER H H 126 8.266 8.266 8.334 -0.068 18715 596 1 . 1 1 127 127 GLN N N 127 121.728 121.728 121.843 -0.115 18715 597 1 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.485 -0.162 18715 598 1 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.445 0.778 18715 599 1 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.757 -0.589 18715 600 1 . 1 1 127 127 GLN H H 127 8.355 8.355 8.411 -0.055 18715 601 1 . 1 1 128 128 VAL N N 128 119.852 119.852 121.064 -1.212 18715 602 1 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.261 -0.152 18715 603 1 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.118 0.547 18715 604 1 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.549 0.220 18715 605 1 . 1 1 128 128 VAL H H 128 7.986 7.986 8.338 -0.352 18715 606 1 . 1 1 129 129 SER N N 129 117.978 117.978 120.699 -2.721 18715 607 1 . 1 1 129 129 SER HA H 129 4.136 4.136 4.694 -0.558 18715 608 1 . 1 1 129 129 SER CA C 129 58.404 58.404 57.843 0.560 18715 609 1 . 1 1 129 129 SER CB C 129 63.755 63.755 64.265 -0.510 18715 610 1 . 1 1 129 129 SER H H 129 8.252 8.252 8.421 -0.169 18715 611 1 . 1 1 130 130 GLN N N 130 121.728 121.728 121.862 -0.134 18715 612 1 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.417 -0.062 18715 613 1 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.693 0.457 18715 614 1 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.380 -0.007 18715 615 1 . 1 1 130 130 GLN H H 130 8.355 8.355 8.519 -0.164 18715 616 1 . 1 1 131 131 ASN N N 131 118.290 118.290 118.672 -0.382 18715 617 1 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.755 -0.123 18715 618 1 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.264 0.304 18715 619 1 . 1 1 131 131 ASN H H 131 8.252 8.252 8.468 -0.216 18715 stop_ save_