data_18864 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18864 _Entry.PDB_ID 2M1I 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 18864 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.454 0.016 18864 2 1 1 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.587 0.659 18864 3 1 1 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.417 -0.029 18864 4 1 1 . 1 1 3 3 MET HA H 3 4.476 4.476 3.895 0.581 18864 5 1 1 . 1 1 3 3 MET CA C 3 56.002 56.002 57.208 -1.206 18864 6 1 1 . 1 1 3 3 MET CB C 3 32.025 32.025 31.270 0.755 18864 7 1 1 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.084 0.349 18864 8 1 1 . 1 1 5 5 SER HA H 5 4.427 4.427 4.534 -0.107 18864 9 1 1 . 1 1 5 5 SER CA C 5 58.631 58.631 58.193 0.438 18864 10 1 1 . 1 1 5 5 SER CB C 5 64.117 64.117 64.371 -0.254 18864 11 1 1 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.625 -0.200 18864 12 1 1 . 1 1 7 7 ALA CA C 7 52.645 52.645 51.262 1.383 18864 13 1 1 . 1 1 7 7 ALA CB C 7 19.616 19.616 17.741 1.875 18864 14 1 1 . 1 1 8 8 ASP N N 8 119.103 119.103 119.101 0.002 18864 15 1 1 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.618 0.003 18864 16 1 1 . 1 1 8 8 ASP CA C 8 55.170 55.170 54.967 0.203 18864 17 1 1 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.536 -0.161 18864 18 1 1 . 1 1 8 8 ASP H H 8 8.353 8.353 7.925 0.428 18864 19 1 1 . 1 1 9 9 LYS N N 9 117.781 117.781 118.749 -0.968 18864 20 1 1 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.934 0.032 18864 21 1 1 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.861 0.506 18864 22 1 1 . 1 1 9 9 LYS CB C 9 36.080 36.080 35.770 0.310 18864 23 1 1 . 1 1 9 9 LYS H H 9 7.858 7.858 7.479 0.379 18864 24 1 1 . 1 1 10 10 ILE N N 10 114.675 114.675 121.244 -6.569 18864 25 1 1 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.966 0.548 18864 26 1 1 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.693 -0.133 18864 27 1 1 . 1 1 10 10 ILE CB C 10 42.395 42.395 39.415 2.980 18864 28 1 1 . 1 1 10 10 ILE H H 10 8.254 8.254 8.428 -0.174 18864 29 1 1 . 1 1 11 11 LYS N N 11 121.626 121.626 127.243 -5.617 18864 30 1 1 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.208 0.583 18864 31 1 1 . 1 1 11 11 LYS CA C 11 53.911 53.911 55.989 -2.078 18864 32 1 1 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.456 2.147 18864 33 1 1 . 1 1 11 11 LYS H H 11 7.974 7.974 8.457 -0.483 18864 34 1 1 . 1 1 12 12 CYS N N 12 118.054 118.054 123.255 -5.201 18864 35 1 1 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.026 0.612 18864 36 1 1 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.316 0.341 18864 37 1 1 . 1 1 12 12 CYS CB C 12 33.625 33.625 30.951 2.674 18864 38 1 1 . 1 1 12 12 CYS H H 12 7.256 7.256 9.264 -2.008 18864 39 1 1 . 1 1 13 13 SER N N 13 117.042 117.042 116.298 0.744 18864 40 1 1 . 1 1 13 13 SER HA H 13 5.625 5.625 5.812 -0.187 18864 41 1 1 . 1 1 13 13 SER CA C 13 56.017 56.017 57.406 -1.389 18864 42 1 1 . 1 1 13 13 SER CB C 13 66.920 66.920 65.668 1.252 18864 43 1 1 . 1 1 13 13 SER H H 13 9.186 9.186 9.152 0.034 18864 44 1 1 . 1 1 14 14 HIS N N 14 119.162 119.162 119.913 -0.751 18864 45 1 1 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.145 0.265 18864 46 1 1 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.670 -0.076 18864 47 1 1 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.193 3.430 18864 48 1 1 . 1 1 14 14 HIS H H 14 9.902 9.902 9.667 0.235 18864 49 1 1 . 1 1 15 15 ILE N N 15 121.809 121.809 121.034 0.775 18864 50 1 1 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.089 -0.652 18864 51 1 1 . 1 1 15 15 ILE CA C 15 61.876 61.876 60.232 1.644 18864 52 1 1 . 1 1 15 15 ILE CB C 15 41.793 41.793 40.730 1.063 18864 53 1 1 . 1 1 15 15 ILE H H 15 8.913 8.913 9.166 -0.253 18864 54 1 1 . 1 1 16 16 LEU N N 16 129.008 129.008 129.793 -0.785 18864 55 1 1 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.271 -0.253 18864 56 1 1 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.140 -0.477 18864 57 1 1 . 1 1 16 16 LEU CB C 16 45.016 45.016 44.633 0.383 18864 58 1 1 . 1 1 16 16 LEU H H 16 7.632 7.632 9.115 -1.483 18864 59 1 1 . 1 1 17 17 VAL N N 17 117.991 117.991 120.483 -2.492 18864 60 1 1 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.632 0.327 18864 61 1 1 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.211 -0.370 18864 62 1 1 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.320 -0.531 18864 63 1 1 . 1 1 17 17 VAL H H 17 9.025 9.025 9.285 -0.260 18864 64 1 1 . 1 1 18 18 LYS N N 18 119.296 119.296 121.897 -2.601 18864 65 1 1 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.196 0.205 18864 66 1 1 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.389 -0.015 18864 67 1 1 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.927 1.383 18864 68 1 1 . 1 1 18 18 LYS H H 18 8.781 8.781 8.621 0.160 18864 69 1 1 . 1 1 19 19 LYS N N 19 114.107 114.107 118.743 -4.636 18864 70 1 1 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.472 0.363 18864 71 1 1 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.782 -0.057 18864 72 1 1 . 1 1 19 19 LYS CB C 19 35.804 35.804 33.807 1.997 18864 73 1 1 . 1 1 19 19 LYS H H 19 8.023 8.023 8.717 -0.694 18864 74 1 1 . 1 1 20 20 GLN N N 20 125.662 125.662 121.918 3.744 18864 75 1 1 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.506 1.348 18864 76 1 1 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.682 -0.247 18864 77 1 1 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.060 -0.091 18864 78 1 1 . 1 1 20 20 GLN H H 20 8.795 8.795 8.616 0.179 18864 79 1 1 . 1 1 21 21 GLY CA C 21 46.997 46.997 47.049 -0.052 18864 80 1 1 . 1 1 22 22 GLU N N 22 119.712 119.712 122.438 -2.726 18864 81 1 1 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.981 0.134 18864 82 1 1 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.108 -0.986 18864 83 1 1 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.306 0.410 18864 84 1 1 . 1 1 22 22 GLU H H 22 6.765 6.765 7.411 -0.646 18864 85 1 1 . 1 1 23 23 ALA N N 23 124.106 124.106 123.224 0.882 18864 86 1 1 . 1 1 23 23 ALA HA H 23 3.768 3.768 4.005 -0.237 18864 87 1 1 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.412 -0.507 18864 88 1 1 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.424 -0.621 18864 89 1 1 . 1 1 23 23 ALA H H 23 7.461 7.461 7.951 -0.490 18864 90 1 1 . 1 1 24 24 LEU N N 24 118.772 118.772 119.846 -1.074 18864 91 1 1 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.386 -0.206 18864 92 1 1 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.401 0.436 18864 93 1 1 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.522 0.682 18864 94 1 1 . 1 1 24 24 LEU H H 24 7.989 7.989 8.610 -0.621 18864 95 1 1 . 1 1 25 25 ALA N N 25 121.590 121.590 123.038 -1.448 18864 96 1 1 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.997 0.199 18864 97 1 1 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.214 -0.018 18864 98 1 1 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.436 -0.539 18864 99 1 1 . 1 1 25 25 ALA H H 25 7.472 7.472 8.518 -1.046 18864 100 1 1 . 1 1 26 26 VAL N N 26 118.603 118.603 115.770 2.833 18864 101 1 1 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.509 -0.239 18864 102 1 1 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.005 1.302 18864 103 1 1 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.872 0.540 18864 104 1 1 . 1 1 26 26 VAL H H 26 7.633 7.633 8.030 -0.397 18864 105 1 1 . 1 1 27 27 GLN N N 27 117.799 117.799 120.553 -2.754 18864 106 1 1 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.997 -0.041 18864 107 1 1 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.618 0.681 18864 108 1 1 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.400 1.420 18864 109 1 1 . 1 1 27 27 GLN H H 27 8.000 8.000 8.329 -0.329 18864 110 1 1 . 1 1 28 28 GLU N N 28 118.775 118.775 120.275 -1.500 18864 111 1 1 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.062 -0.045 18864 112 1 1 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.262 0.313 18864 113 1 1 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.440 0.170 18864 114 1 1 . 1 1 28 28 GLU H H 28 8.107 8.107 8.922 -0.815 18864 115 1 1 . 1 1 29 29 ARG N N 29 121.360 121.360 121.038 0.322 18864 116 1 1 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.103 0.023 18864 117 1 1 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.017 1.058 18864 118 1 1 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.273 1.108 18864 119 1 1 . 1 1 29 29 ARG H H 29 8.084 8.084 8.382 -0.298 18864 120 1 1 . 1 1 30 30 LEU N N 30 120.289 120.289 119.309 0.980 18864 121 1 1 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.208 0.127 18864 122 1 1 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.649 0.023 18864 123 1 1 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.034 0.706 18864 124 1 1 . 1 1 30 30 LEU H H 30 8.379 8.379 8.821 -0.442 18864 125 1 1 . 1 1 31 31 LYS N N 31 122.554 122.554 119.209 3.345 18864 126 1 1 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.065 -0.012 18864 127 1 1 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.201 1.228 18864 128 1 1 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.684 0.635 18864 129 1 1 . 1 1 31 31 LYS H H 31 8.280 8.280 7.474 0.806 18864 130 1 1 . 1 1 32 32 ALA N N 32 119.271 119.271 118.503 0.768 18864 131 1 1 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.239 0.139 18864 132 1 1 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.577 -0.001 18864 133 1 1 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.021 -0.200 18864 134 1 1 . 1 1 32 32 ALA H H 32 7.557 7.557 7.968 -0.411 18864 135 1 1 . 1 1 33 33 GLY N N 33 105.104 105.104 106.205 -1.101 18864 136 1 1 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.892 -0.147 18864 137 1 1 . 1 1 33 33 GLY H H 33 7.758 7.758 7.845 -0.087 18864 138 1 1 . 1 1 34 34 GLU N N 34 121.024 121.024 119.202 1.822 18864 139 1 1 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.384 -0.105 18864 140 1 1 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.689 2.483 18864 141 1 1 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.684 0.052 18864 142 1 1 . 1 1 34 34 GLU H H 34 7.871 7.871 7.903 -0.032 18864 143 1 1 . 1 1 35 35 LYS N N 35 121.214 121.214 121.700 -0.486 18864 144 1 1 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.283 -0.018 18864 145 1 1 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.700 -0.383 18864 146 1 1 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.089 -0.027 18864 147 1 1 . 1 1 35 35 LYS H H 35 8.776 8.776 8.527 0.249 18864 148 1 1 . 1 1 36 36 PHE N N 36 125.726 125.726 127.432 -1.706 18864 149 1 1 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.203 -0.560 18864 150 1 1 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.745 1.085 18864 151 1 1 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.050 1.246 18864 152 1 1 . 1 1 36 36 PHE H H 36 8.972 8.972 8.940 0.032 18864 153 1 1 . 1 1 37 37 GLY N N 37 103.959 103.959 105.988 -2.029 18864 154 1 1 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.999 0.346 18864 155 1 1 . 1 1 37 37 GLY H H 37 9.123 9.123 8.825 0.298 18864 156 1 1 . 1 1 38 38 LYS N N 38 120.432 120.432 122.340 -1.908 18864 157 1 1 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.003 0.055 18864 158 1 1 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.310 -0.281 18864 159 1 1 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.317 0.338 18864 160 1 1 . 1 1 38 38 LYS H H 38 6.683 6.683 7.232 -0.549 18864 161 1 1 . 1 1 39 39 LEU N N 39 119.598 119.598 119.332 0.266 18864 162 1 1 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.097 -0.190 18864 163 1 1 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.477 0.137 18864 164 1 1 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.420 1.324 18864 165 1 1 . 1 1 39 39 LEU H H 39 7.754 7.754 7.969 -0.215 18864 166 1 1 . 1 1 40 40 ALA N N 40 121.385 121.385 122.408 -1.023 18864 167 1 1 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.873 -0.101 18864 168 1 1 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.936 0.939 18864 169 1 1 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.267 -1.082 18864 170 1 1 . 1 1 40 40 ALA H H 40 8.437 8.437 8.227 0.210 18864 171 1 1 . 1 1 41 41 LYS N N 41 116.991 116.991 116.782 0.209 18864 172 1 1 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.101 -0.179 18864 173 1 1 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.441 1.318 18864 174 1 1 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.523 0.088 18864 175 1 1 . 1 1 41 41 LYS H H 41 7.681 7.681 8.187 -0.506 18864 176 1 1 . 1 1 42 42 GLU N N 42 117.121 117.121 117.967 -0.846 18864 177 1 1 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.179 -0.151 18864 178 1 1 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.181 0.879 18864 179 1 1 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.267 1.228 18864 180 1 1 . 1 1 42 42 GLU H H 42 7.796 7.796 7.948 -0.152 18864 181 1 1 . 1 1 43 43 LEU N N 43 112.754 112.754 118.364 -5.610 18864 182 1 1 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.300 0.239 18864 183 1 1 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.627 -0.451 18864 184 1 1 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.401 1.661 18864 185 1 1 . 1 1 43 43 LEU H H 43 8.305 8.305 8.241 0.064 18864 186 1 1 . 1 1 44 44 SER N N 44 110.514 110.514 113.412 -2.898 18864 187 1 1 . 1 1 44 44 SER HA H 44 4.707 4.707 4.367 0.340 18864 188 1 1 . 1 1 44 44 SER CA C 44 57.490 57.490 59.047 -1.558 18864 189 1 1 . 1 1 44 44 SER CB C 44 65.461 65.461 63.878 1.583 18864 190 1 1 . 1 1 44 44 SER H H 44 8.255 8.255 7.376 0.879 18864 191 1 1 . 1 1 45 45 ILE N N 45 120.438 120.438 118.042 2.396 18864 192 1 1 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.287 0.132 18864 193 1 1 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.217 1.642 18864 194 1 1 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.055 -0.926 18864 195 1 1 . 1 1 45 45 ILE H H 45 9.238 9.238 8.891 0.347 18864 196 1 1 . 1 1 46 46 ASP N N 46 120.068 120.068 123.005 -2.937 18864 197 1 1 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.617 -0.239 18864 198 1 1 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.199 -0.447 18864 199 1 1 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.653 -0.237 18864 200 1 1 . 1 1 46 46 ASP H H 46 7.488 7.488 7.399 0.089 18864 201 1 1 . 1 1 47 47 GLY N N 47 114.910 114.910 113.890 1.020 18864 202 1 1 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.119 0.199 18864 203 1 1 . 1 1 47 47 GLY H H 47 8.562 8.562 8.048 0.514 18864 204 1 1 . 1 1 48 48 GLY N N 48 106.725 106.725 109.998 -3.273 18864 205 1 1 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.071 -0.445 18864 206 1 1 . 1 1 48 48 GLY H H 48 8.328 8.328 8.350 -0.022 18864 207 1 1 . 1 1 49 49 SER N N 49 110.646 110.646 118.560 -7.914 18864 208 1 1 . 1 1 49 49 SER HA H 49 4.560 4.560 4.204 0.356 18864 209 1 1 . 1 1 49 49 SER CA C 49 59.559 59.559 61.611 -2.052 18864 210 1 1 . 1 1 49 49 SER CB C 49 65.469 65.469 63.182 2.287 18864 211 1 1 . 1 1 49 49 SER H H 49 7.255 7.255 8.408 -1.153 18864 212 1 1 . 1 1 50 50 ALA N N 50 130.821 130.821 126.450 4.371 18864 213 1 1 . 1 1 50 50 ALA HA H 50 3.826 3.826 3.956 -0.130 18864 214 1 1 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.333 1.537 18864 215 1 1 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.072 1.313 18864 216 1 1 . 1 1 50 50 ALA H H 50 8.571 8.571 8.674 -0.103 18864 217 1 1 . 1 1 51 51 LYS N N 51 110.700 110.700 117.472 -6.772 18864 218 1 1 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.086 0.151 18864 219 1 1 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.711 -1.124 18864 220 1 1 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.144 -0.026 18864 221 1 1 . 1 1 51 51 LYS H H 51 7.761 7.761 8.677 -0.916 18864 222 1 1 . 1 1 52 52 ARG N N 52 120.280 120.280 118.537 1.743 18864 223 1 1 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.432 0.355 18864 224 1 1 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.742 -1.540 18864 225 1 1 . 1 1 52 52 ARG CB C 52 29.504 29.504 29.902 -0.398 18864 226 1 1 . 1 1 52 52 ARG H H 52 7.650 7.650 7.608 0.042 18864 227 1 1 . 1 1 53 53 ASP N N 53 117.809 117.809 118.025 -0.216 18864 228 1 1 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.361 0.040 18864 229 1 1 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.733 0.614 18864 230 1 1 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.911 -0.289 18864 231 1 1 . 1 1 53 53 ASP H H 53 8.157 8.157 8.454 -0.297 18864 232 1 1 . 1 1 54 54 GLY N N 54 104.041 104.041 104.319 -0.278 18864 233 1 1 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.209 -0.581 18864 234 1 1 . 1 1 54 54 GLY H H 54 8.279 8.279 9.120 -0.841 18864 235 1 1 . 1 1 55 55 SER N N 55 113.436 113.436 118.865 -5.429 18864 236 1 1 . 1 1 55 55 SER HA H 55 4.578 4.578 4.479 0.099 18864 237 1 1 . 1 1 55 55 SER CA C 55 59.851 59.851 58.534 1.317 18864 238 1 1 . 1 1 55 55 SER CB C 55 64.102 64.102 62.132 1.970 18864 239 1 1 . 1 1 55 55 SER H H 55 7.524 7.524 8.298 -0.774 18864 240 1 1 . 1 1 56 56 LEU N N 56 126.328 126.328 125.024 1.304 18864 241 1 1 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.988 0.503 18864 242 1 1 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.752 -2.614 18864 243 1 1 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.212 1.048 18864 244 1 1 . 1 1 56 56 LEU H H 56 8.818 8.818 8.213 0.605 18864 245 1 1 . 1 1 57 57 GLY N N 57 107.077 107.077 104.340 2.737 18864 246 1 1 . 1 1 57 57 GLY CA C 57 45.195 45.195 45.199 -0.004 18864 247 1 1 . 1 1 57 57 GLY H H 57 8.072 8.072 8.088 -0.016 18864 248 1 1 . 1 1 58 58 TYR N N 58 115.734 115.734 122.495 -6.761 18864 249 1 1 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.749 0.442 18864 250 1 1 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.309 -0.459 18864 251 1 1 . 1 1 58 58 TYR CB C 58 40.674 40.674 39.097 1.577 18864 252 1 1 . 1 1 58 58 TYR H H 58 8.348 8.348 8.482 -0.134 18864 253 1 1 . 1 1 59 59 PHE N N 59 118.174 118.174 119.142 -0.968 18864 254 1 1 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.940 0.097 18864 255 1 1 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.102 0.213 18864 256 1 1 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.759 -0.169 18864 257 1 1 . 1 1 59 59 PHE H H 59 9.136 9.136 7.987 1.149 18864 258 1 1 . 1 1 60 60 GLY N N 60 106.839 106.839 108.396 -1.557 18864 259 1 1 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.994 -0.833 18864 260 1 1 . 1 1 60 60 GLY H H 60 8.594 8.594 8.627 -0.033 18864 261 1 1 . 1 1 61 61 ARG N N 61 119.161 119.161 118.928 0.233 18864 262 1 1 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.359 -0.356 18864 263 1 1 . 1 1 61 61 ARG CA C 61 57.419 57.419 56.774 0.645 18864 264 1 1 . 1 1 61 61 ARG CB C 61 30.298 30.298 31.082 -0.784 18864 265 1 1 . 1 1 61 61 ARG H H 61 8.833 8.833 8.616 0.217 18864 266 1 1 . 1 1 62 62 GLY N N 62 112.714 112.714 112.680 0.034 18864 267 1 1 . 1 1 62 62 GLY CA C 62 45.501 45.501 46.151 -0.650 18864 268 1 1 . 1 1 62 62 GLY H H 62 10.418 10.418 8.978 1.440 18864 269 1 1 . 1 1 63 63 LYS N N 63 120.687 120.687 118.830 1.857 18864 270 1 1 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.610 -0.224 18864 271 1 1 . 1 1 63 63 LYS CA C 63 57.120 57.120 56.471 0.649 18864 272 1 1 . 1 1 63 63 LYS CB C 63 34.862 34.862 35.020 -0.158 18864 273 1 1 . 1 1 63 63 LYS H H 63 7.706 7.706 9.780 -2.074 18864 274 1 1 . 1 1 64 64 MET N N 64 117.704 117.704 119.524 -1.820 18864 275 1 1 . 1 1 64 64 MET HA H 64 4.608 4.608 4.575 0.033 18864 276 1 1 . 1 1 64 64 MET CA C 64 51.959 51.959 54.158 -2.199 18864 277 1 1 . 1 1 64 64 MET CB C 64 33.012 33.012 35.357 -2.345 18864 278 1 1 . 1 1 64 64 MET H H 64 9.046 9.046 9.002 0.044 18864 279 1 1 . 1 1 65 65 VAL N N 65 113.540 113.540 119.425 -5.885 18864 280 1 1 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.943 0.270 18864 281 1 1 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.477 -0.137 18864 282 1 1 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.212 0.589 18864 283 1 1 . 1 1 65 65 VAL H H 65 8.043 8.043 8.256 -0.213 18864 284 1 1 . 1 1 66 66 LYS N N 66 124.592 124.592 128.967 -4.375 18864 285 1 1 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.155 0.048 18864 286 1 1 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.267 0.156 18864 287 1 1 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.621 -0.188 18864 288 1 1 . 1 1 66 66 LYS H H 66 8.877 8.877 9.001 -0.124 18864 289 1 1 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.265 0.186 18864 290 1 1 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.743 0.306 18864 291 1 1 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.245 0.006 18864 292 1 1 . 1 1 68 68 PHE N N 68 115.149 115.149 120.123 -4.974 18864 293 1 1 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.036 -0.349 18864 294 1 1 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.850 -1.094 18864 295 1 1 . 1 1 68 68 PHE CB C 68 40.182 40.182 39.014 1.168 18864 296 1 1 . 1 1 68 68 PHE H H 68 6.997 6.997 7.971 -0.974 18864 297 1 1 . 1 1 69 69 GLU N N 69 119.933 119.933 119.332 0.601 18864 298 1 1 . 1 1 69 69 GLU HA H 69 3.996 3.996 3.966 0.030 18864 299 1 1 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.129 0.835 18864 300 1 1 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.641 1.284 18864 301 1 1 . 1 1 69 69 GLU H H 69 8.562 8.562 8.511 0.051 18864 302 1 1 . 1 1 70 70 ASP N N 70 116.956 116.956 120.588 -3.632 18864 303 1 1 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.541 -0.156 18864 304 1 1 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.834 -0.661 18864 305 1 1 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.823 -0.635 18864 306 1 1 . 1 1 70 70 ASP H H 70 9.074 9.074 8.675 0.399 18864 307 1 1 . 1 1 71 71 ALA N N 71 117.745 117.745 121.506 -3.761 18864 308 1 1 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.056 0.116 18864 309 1 1 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.133 -0.818 18864 310 1 1 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.099 2.403 18864 311 1 1 . 1 1 71 71 ALA H H 71 6.888 6.888 8.087 -1.199 18864 312 1 1 . 1 1 72 72 ALA N N 72 120.783 120.783 122.055 -1.272 18864 313 1 1 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.814 -0.068 18864 314 1 1 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.848 0.545 18864 315 1 1 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.541 0.543 18864 316 1 1 . 1 1 72 72 ALA H H 72 8.860 8.860 7.779 1.081 18864 317 1 1 . 1 1 73 73 PHE N N 73 110.353 110.353 116.413 -6.060 18864 318 1 1 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.182 -0.161 18864 319 1 1 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.735 -0.169 18864 320 1 1 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.762 -0.435 18864 321 1 1 . 1 1 73 73 PHE H H 73 8.275 8.275 8.389 -0.114 18864 322 1 1 . 1 1 74 74 ARG N N 74 116.189 116.189 120.578 -4.389 18864 323 1 1 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.165 0.309 18864 324 1 1 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.343 -2.976 18864 325 1 1 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.633 1.067 18864 326 1 1 . 1 1 74 74 ARG H H 74 7.047 7.047 8.460 -1.413 18864 327 1 1 . 1 1 75 75 LEU N N 75 119.425 119.425 118.857 0.568 18864 328 1 1 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.562 -0.283 18864 329 1 1 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.696 1.306 18864 330 1 1 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.837 2.308 18864 331 1 1 . 1 1 75 75 LEU H H 75 7.033 7.033 8.270 -1.237 18864 332 1 1 . 1 1 76 76 GLN N N 76 121.205 121.205 119.975 1.230 18864 333 1 1 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.882 0.525 18864 334 1 1 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.906 -4.447 18864 335 1 1 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.312 1.308 18864 336 1 1 . 1 1 76 76 GLN H H 76 9.087 9.087 7.743 1.344 18864 337 1 1 . 1 1 77 77 VAL N N 77 121.809 121.809 115.454 6.355 18864 338 1 1 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.762 0.641 18864 339 1 1 . 1 1 77 77 VAL CA C 77 67.583 67.583 65.223 2.360 18864 340 1 1 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.259 -2.643 18864 341 1 1 . 1 1 77 77 VAL H H 77 8.901 8.901 7.750 1.151 18864 342 1 1 . 1 1 78 78 GLY N N 78 117.559 117.559 106.309 11.250 18864 343 1 1 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.481 0.652 18864 344 1 1 . 1 1 78 78 GLY H H 78 9.049 9.049 8.086 0.963 18864 345 1 1 . 1 1 79 79 GLU N N 79 122.304 122.304 120.471 1.833 18864 346 1 1 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.304 -0.037 18864 347 1 1 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.225 0.322 18864 348 1 1 . 1 1 79 79 GLU CB C 79 32.290 32.290 30.988 1.302 18864 349 1 1 . 1 1 79 79 GLU H H 79 8.093 8.093 7.891 0.202 18864 350 1 1 . 1 1 80 80 VAL N N 80 122.253 122.253 123.495 -1.242 18864 351 1 1 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.145 0.901 18864 352 1 1 . 1 1 80 80 VAL CA C 80 60.322 60.322 62.785 -2.463 18864 353 1 1 . 1 1 80 80 VAL CB C 80 33.557 33.557 31.977 1.580 18864 354 1 1 . 1 1 80 80 VAL H H 80 8.133 8.133 8.335 -0.202 18864 355 1 1 . 1 1 81 81 SER N N 81 125.484 125.484 123.867 1.617 18864 356 1 1 . 1 1 81 81 SER HA H 81 4.346 4.346 4.506 -0.160 18864 357 1 1 . 1 1 81 81 SER CA C 81 59.316 59.316 57.598 1.718 18864 358 1 1 . 1 1 81 81 SER CB C 81 65.988 65.988 64.249 1.739 18864 359 1 1 . 1 1 81 81 SER H H 81 9.927 9.927 8.738 1.189 18864 360 1 1 . 1 1 82 82 GLU N N 82 116.381 116.381 121.196 -4.815 18864 361 1 1 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.466 0.157 18864 362 1 1 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.165 0.486 18864 363 1 1 . 1 1 82 82 GLU CB C 82 28.330 28.330 29.226 -0.896 18864 364 1 1 . 1 1 82 82 GLU H H 82 7.986 7.986 8.567 -0.581 18864 365 1 1 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.516 0.217 18864 366 1 1 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.480 0.202 18864 367 1 1 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.900 -0.458 18864 368 1 1 . 1 1 84 84 VAL N N 84 127.594 127.594 126.690 0.904 18864 369 1 1 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.350 0.011 18864 370 1 1 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.390 0.861 18864 371 1 1 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.953 2.657 18864 372 1 1 . 1 1 84 84 VAL H H 84 9.630 9.630 9.380 0.250 18864 373 1 1 . 1 1 85 85 LYS N N 85 130.184 130.184 130.351 -0.167 18864 374 1 1 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.614 -0.334 18864 375 1 1 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.086 0.076 18864 376 1 1 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.471 0.213 18864 377 1 1 . 1 1 85 85 LYS H H 85 8.827 8.827 8.777 0.050 18864 378 1 1 . 1 1 86 86 SER N N 86 125.071 125.071 120.710 4.361 18864 379 1 1 . 1 1 86 86 SER HA H 86 4.925 4.925 4.837 0.088 18864 380 1 1 . 1 1 86 86 SER CA C 86 56.939 56.939 56.812 0.127 18864 381 1 1 . 1 1 86 86 SER CB C 86 67.836 67.836 66.269 1.567 18864 382 1 1 . 1 1 86 86 SER H H 86 9.594 9.594 9.015 0.579 18864 383 1 1 . 1 1 87 87 GLU N N 87 118.510 118.510 119.140 -0.630 18864 384 1 1 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.028 0.092 18864 385 1 1 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.187 -0.102 18864 386 1 1 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.152 0.228 18864 387 1 1 . 1 1 87 87 GLU H H 87 9.615 9.615 8.922 0.693 18864 388 1 1 . 1 1 88 88 PHE N N 88 118.385 118.385 118.897 -0.512 18864 389 1 1 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.316 0.223 18864 390 1 1 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.580 -1.079 18864 391 1 1 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.728 0.431 18864 392 1 1 . 1 1 88 88 PHE H H 88 8.817 8.817 7.394 1.423 18864 393 1 1 . 1 1 89 89 GLY N N 89 107.269 107.269 103.906 3.363 18864 394 1 1 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.948 0.140 18864 395 1 1 . 1 1 89 89 GLY H H 89 7.405 7.405 7.745 -0.340 18864 396 1 1 . 1 1 90 90 TYR N N 90 119.181 119.181 120.926 -1.745 18864 397 1 1 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.586 -0.506 18864 398 1 1 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.249 0.086 18864 399 1 1 . 1 1 90 90 TYR CB C 90 41.829 41.829 41.188 0.641 18864 400 1 1 . 1 1 90 90 TYR H H 90 9.119 9.119 8.604 0.515 18864 401 1 1 . 1 1 91 91 HIS N N 91 120.399 120.399 120.984 -0.585 18864 402 1 1 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.681 -0.124 18864 403 1 1 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.084 0.362 18864 404 1 1 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.803 -2.506 18864 405 1 1 . 1 1 91 91 HIS H H 91 9.879 9.879 9.756 0.123 18864 406 1 1 . 1 1 92 92 VAL N N 92 122.606 122.606 122.491 0.115 18864 407 1 1 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.373 -0.386 18864 408 1 1 . 1 1 92 92 VAL CA C 92 63.928 63.928 62.107 1.821 18864 409 1 1 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.841 -0.619 18864 410 1 1 . 1 1 92 92 VAL H H 92 9.102 9.102 9.290 -0.188 18864 411 1 1 . 1 1 93 93 ILE N N 93 128.087 128.087 127.608 0.479 18864 412 1 1 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.133 -0.354 18864 413 1 1 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.850 1.085 18864 414 1 1 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.307 1.465 18864 415 1 1 . 1 1 93 93 ILE H H 93 8.623 8.623 9.574 -0.951 18864 416 1 1 . 1 1 94 94 LYS N N 94 125.877 125.877 127.059 -1.182 18864 417 1 1 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.659 0.652 18864 418 1 1 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.342 0.891 18864 419 1 1 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.442 0.046 18864 420 1 1 . 1 1 94 94 LYS H H 94 8.881 8.881 9.134 -0.253 18864 421 1 1 . 1 1 95 95 ARG N N 95 126.274 126.274 123.701 2.573 18864 422 1 1 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.160 0.863 18864 423 1 1 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.651 -0.637 18864 424 1 1 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.730 -0.973 18864 425 1 1 . 1 1 95 95 ARG H H 95 7.955 7.955 8.480 -0.525 18864 426 1 1 . 1 1 96 96 LEU N N 96 129.551 129.551 127.325 2.226 18864 427 1 1 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.445 0.142 18864 428 1 1 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.825 0.696 18864 429 1 1 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.633 -0.249 18864 430 1 1 . 1 1 96 96 LEU H H 96 9.017 9.017 8.366 0.651 18864 431 1 2 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.545 -0.075 18864 432 1 2 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.283 0.963 18864 433 1 2 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.235 0.153 18864 434 1 2 . 1 1 3 3 MET HA H 3 4.476 4.476 4.089 0.387 18864 435 1 2 . 1 1 3 3 MET CA C 3 56.002 56.002 56.361 -0.359 18864 436 1 2 . 1 1 3 3 MET CB C 3 32.025 32.025 32.042 -0.017 18864 437 1 2 . 1 1 4 4 GLY CA C 4 45.433 45.433 46.090 -0.657 18864 438 1 2 . 1 1 5 5 SER HA H 5 4.427 4.427 4.404 0.023 18864 439 1 2 . 1 1 5 5 SER CA C 5 58.631 58.631 59.405 -0.774 18864 440 1 2 . 1 1 5 5 SER CB C 5 64.117 64.117 63.409 0.708 18864 441 1 2 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.126 0.299 18864 442 1 2 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.242 -1.597 18864 443 1 2 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.869 0.747 18864 444 1 2 . 1 1 8 8 ASP N N 8 119.103 119.103 117.705 1.398 18864 445 1 2 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.506 0.115 18864 446 1 2 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.277 -1.107 18864 447 1 2 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.370 0.005 18864 448 1 2 . 1 1 8 8 ASP H H 8 8.353 8.353 8.665 -0.312 18864 449 1 2 . 1 1 9 9 LYS N N 9 117.781 117.781 118.015 -0.234 18864 450 1 2 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.639 0.327 18864 451 1 2 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.466 -0.099 18864 452 1 2 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.273 1.807 18864 453 1 2 . 1 1 9 9 LYS H H 9 7.858 7.858 7.541 0.317 18864 454 1 2 . 1 1 10 10 ILE N N 10 114.675 114.675 120.437 -5.762 18864 455 1 2 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.905 0.609 18864 456 1 2 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.470 2.090 18864 457 1 2 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.129 4.266 18864 458 1 2 . 1 1 10 10 ILE H H 10 8.254 8.254 8.302 -0.048 18864 459 1 2 . 1 1 11 11 LYS N N 11 121.626 121.626 127.705 -6.079 18864 460 1 2 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.205 0.586 18864 461 1 2 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.282 -2.371 18864 462 1 2 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.333 2.270 18864 463 1 2 . 1 1 11 11 LYS H H 11 7.974 7.974 8.515 -0.541 18864 464 1 2 . 1 1 12 12 CYS N N 12 118.054 118.054 123.213 -5.159 18864 465 1 2 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.236 0.402 18864 466 1 2 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.291 0.367 18864 467 1 2 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.108 2.517 18864 468 1 2 . 1 1 12 12 CYS H H 12 7.256 7.256 9.246 -1.990 18864 469 1 2 . 1 1 13 13 SER N N 13 117.042 117.042 116.522 0.520 18864 470 1 2 . 1 1 13 13 SER HA H 13 5.625 5.625 5.463 0.162 18864 471 1 2 . 1 1 13 13 SER CA C 13 56.017 56.017 57.236 -1.218 18864 472 1 2 . 1 1 13 13 SER CB C 13 66.920 66.920 65.303 1.617 18864 473 1 2 . 1 1 13 13 SER H H 13 9.186 9.186 8.961 0.225 18864 474 1 2 . 1 1 14 14 HIS N N 14 119.162 119.162 122.518 -3.356 18864 475 1 2 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.123 0.287 18864 476 1 2 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.773 0.821 18864 477 1 2 . 1 1 14 14 HIS CB C 14 37.623 37.623 33.801 3.822 18864 478 1 2 . 1 1 14 14 HIS H H 14 9.902 9.902 9.448 0.454 18864 479 1 2 . 1 1 15 15 ILE N N 15 121.809 121.809 121.402 0.407 18864 480 1 2 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.083 -0.646 18864 481 1 2 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.945 1.931 18864 482 1 2 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.312 0.481 18864 483 1 2 . 1 1 15 15 ILE H H 15 8.913 8.913 9.308 -0.395 18864 484 1 2 . 1 1 16 16 LEU N N 16 129.008 129.008 130.181 -1.173 18864 485 1 2 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.187 -0.169 18864 486 1 2 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.427 -0.764 18864 487 1 2 . 1 1 16 16 LEU CB C 16 45.016 45.016 44.045 0.971 18864 488 1 2 . 1 1 16 16 LEU H H 16 7.632 7.632 8.347 -0.715 18864 489 1 2 . 1 1 17 17 VAL N N 17 117.991 117.991 120.429 -2.438 18864 490 1 2 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.607 0.352 18864 491 1 2 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.427 -0.586 18864 492 1 2 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.169 -0.380 18864 493 1 2 . 1 1 17 17 VAL H H 17 9.025 9.025 9.270 -0.245 18864 494 1 2 . 1 1 18 18 LYS N N 18 119.296 119.296 121.609 -2.313 18864 495 1 2 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.172 0.229 18864 496 1 2 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.291 0.082 18864 497 1 2 . 1 1 18 18 LYS CB C 18 34.310 34.310 33.027 1.283 18864 498 1 2 . 1 1 18 18 LYS H H 18 8.781 8.781 8.875 -0.094 18864 499 1 2 . 1 1 19 19 LYS N N 19 114.107 114.107 117.640 -3.533 18864 500 1 2 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.582 0.253 18864 501 1 2 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.578 0.147 18864 502 1 2 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.954 0.850 18864 503 1 2 . 1 1 19 19 LYS H H 19 8.023 8.023 8.126 -0.103 18864 504 1 2 . 1 1 20 20 GLN N N 20 125.662 125.662 120.987 4.675 18864 505 1 2 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.523 1.331 18864 506 1 2 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.993 -0.558 18864 507 1 2 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.235 -0.266 18864 508 1 2 . 1 1 20 20 GLN H H 20 8.795 8.795 8.642 0.153 18864 509 1 2 . 1 1 21 21 GLY CA C 21 46.997 46.997 47.062 -0.065 18864 510 1 2 . 1 1 22 22 GLU N N 22 119.712 119.712 122.436 -2.724 18864 511 1 2 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.979 0.136 18864 512 1 2 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.032 -0.910 18864 513 1 2 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.374 0.342 18864 514 1 2 . 1 1 22 22 GLU H H 22 6.765 6.765 7.437 -0.672 18864 515 1 2 . 1 1 23 23 ALA N N 23 124.106 124.106 123.487 0.619 18864 516 1 2 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.977 -0.209 18864 517 1 2 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.465 -0.560 18864 518 1 2 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.392 -0.589 18864 519 1 2 . 1 1 23 23 ALA H H 23 7.461 7.461 7.954 -0.493 18864 520 1 2 . 1 1 24 24 LEU N N 24 118.772 118.772 119.008 -0.236 18864 521 1 2 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.973 0.206 18864 522 1 2 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.877 -0.040 18864 523 1 2 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.696 0.508 18864 524 1 2 . 1 1 24 24 LEU H H 24 7.989 7.989 8.652 -0.663 18864 525 1 2 . 1 1 25 25 ALA N N 25 121.590 121.590 122.505 -0.915 18864 526 1 2 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.978 0.218 18864 527 1 2 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.592 -0.396 18864 528 1 2 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.234 -0.337 18864 529 1 2 . 1 1 25 25 ALA H H 25 7.472 7.472 8.390 -0.918 18864 530 1 2 . 1 1 26 26 VAL N N 26 118.603 118.603 115.432 3.171 18864 531 1 2 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.507 -0.237 18864 532 1 2 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.871 1.437 18864 533 1 2 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.224 1.188 18864 534 1 2 . 1 1 26 26 VAL H H 26 7.633 7.633 8.291 -0.658 18864 535 1 2 . 1 1 27 27 GLN N N 27 117.799 117.799 120.503 -2.704 18864 536 1 2 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.979 -0.023 18864 537 1 2 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.329 0.970 18864 538 1 2 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.490 1.330 18864 539 1 2 . 1 1 27 27 GLN H H 27 8.000 8.000 8.572 -0.572 18864 540 1 2 . 1 1 28 28 GLU N N 28 118.775 118.775 118.645 0.130 18864 541 1 2 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.090 -0.073 18864 542 1 2 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.642 0.933 18864 543 1 2 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.373 0.237 18864 544 1 2 . 1 1 28 28 GLU H H 28 8.107 8.107 8.567 -0.460 18864 545 1 2 . 1 1 29 29 ARG N N 29 121.360 121.360 120.269 1.091 18864 546 1 2 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.112 0.014 18864 547 1 2 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.882 1.192 18864 548 1 2 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.134 1.247 18864 549 1 2 . 1 1 29 29 ARG H H 29 8.084 8.084 8.053 0.031 18864 550 1 2 . 1 1 30 30 LEU N N 30 120.289 120.289 119.891 0.398 18864 551 1 2 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.189 0.146 18864 552 1 2 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.662 0.010 18864 553 1 2 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.106 0.634 18864 554 1 2 . 1 1 30 30 LEU H H 30 8.379 8.379 8.661 -0.282 18864 555 1 2 . 1 1 31 31 LYS N N 31 122.554 122.554 118.848 3.706 18864 556 1 2 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.046 0.007 18864 557 1 2 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.283 1.146 18864 558 1 2 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.599 0.720 18864 559 1 2 . 1 1 31 31 LYS H H 31 8.280 8.280 7.510 0.770 18864 560 1 2 . 1 1 32 32 ALA N N 32 119.271 119.271 118.868 0.403 18864 561 1 2 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.185 0.193 18864 562 1 2 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.014 -0.438 18864 563 1 2 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.086 -0.265 18864 564 1 2 . 1 1 32 32 ALA H H 32 7.557 7.557 7.897 -0.340 18864 565 1 2 . 1 1 33 33 GLY N N 33 105.104 105.104 106.021 -0.917 18864 566 1 2 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.658 0.087 18864 567 1 2 . 1 1 33 33 GLY H H 33 7.758 7.758 8.037 -0.279 18864 568 1 2 . 1 1 34 34 GLU N N 34 121.024 121.024 119.736 1.288 18864 569 1 2 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.258 0.021 18864 570 1 2 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.440 1.732 18864 571 1 2 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.533 0.203 18864 572 1 2 . 1 1 34 34 GLU H H 34 7.871 7.871 8.132 -0.261 18864 573 1 2 . 1 1 35 35 LYS N N 35 121.214 121.214 121.244 -0.030 18864 574 1 2 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.255 0.010 18864 575 1 2 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.558 -0.241 18864 576 1 2 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.942 0.120 18864 577 1 2 . 1 1 35 35 LYS H H 35 8.776 8.776 8.277 0.499 18864 578 1 2 . 1 1 36 36 PHE N N 36 125.726 125.726 126.151 -0.425 18864 579 1 2 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.191 -0.548 18864 580 1 2 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.055 0.775 18864 581 1 2 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.258 1.037 18864 582 1 2 . 1 1 36 36 PHE H H 36 8.972 8.972 9.023 -0.051 18864 583 1 2 . 1 1 37 37 GLY N N 37 103.959 103.959 106.214 -2.255 18864 584 1 2 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.113 0.232 18864 585 1 2 . 1 1 37 37 GLY H H 37 9.123 9.123 8.928 0.195 18864 586 1 2 . 1 1 38 38 LYS N N 38 120.432 120.432 122.732 -2.300 18864 587 1 2 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.009 0.049 18864 588 1 2 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.295 -0.266 18864 589 1 2 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.319 0.336 18864 590 1 2 . 1 1 38 38 LYS H H 38 6.683 6.683 7.463 -0.780 18864 591 1 2 . 1 1 39 39 LEU N N 39 119.598 119.598 119.378 0.220 18864 592 1 2 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.071 -0.164 18864 593 1 2 . 1 1 39 39 LEU CA C 39 57.614 57.614 58.023 -0.409 18864 594 1 2 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.718 1.026 18864 595 1 2 . 1 1 39 39 LEU H H 39 7.754 7.754 7.913 -0.159 18864 596 1 2 . 1 1 40 40 ALA N N 40 121.385 121.385 122.771 -1.386 18864 597 1 2 . 1 1 40 40 ALA HA H 40 3.772 3.772 4.023 -0.251 18864 598 1 2 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.892 0.982 18864 599 1 2 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.487 -1.302 18864 600 1 2 . 1 1 40 40 ALA H H 40 8.437 8.437 8.451 -0.014 18864 601 1 2 . 1 1 41 41 LYS N N 41 116.991 116.991 119.112 -2.121 18864 602 1 2 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.078 -0.156 18864 603 1 2 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.663 1.096 18864 604 1 2 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.197 0.415 18864 605 1 2 . 1 1 41 41 LYS H H 41 7.681 7.681 8.523 -0.842 18864 606 1 2 . 1 1 42 42 GLU N N 42 117.121 117.121 117.589 -0.468 18864 607 1 2 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.092 -0.064 18864 608 1 2 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.744 0.316 18864 609 1 2 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.376 1.119 18864 610 1 2 . 1 1 42 42 GLU H H 42 7.796 7.796 8.052 -0.256 18864 611 1 2 . 1 1 43 43 LEU N N 43 112.754 112.754 118.063 -5.309 18864 612 1 2 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.494 0.045 18864 613 1 2 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.295 -0.118 18864 614 1 2 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.465 1.597 18864 615 1 2 . 1 1 43 43 LEU H H 43 8.305 8.305 8.186 0.119 18864 616 1 2 . 1 1 44 44 SER N N 44 110.514 110.514 115.131 -4.617 18864 617 1 2 . 1 1 44 44 SER HA H 44 4.707 4.707 4.388 0.319 18864 618 1 2 . 1 1 44 44 SER CA C 44 57.490 57.490 59.791 -2.301 18864 619 1 2 . 1 1 44 44 SER CB C 44 65.461 65.461 63.592 1.869 18864 620 1 2 . 1 1 44 44 SER H H 44 8.255 8.255 7.509 0.746 18864 621 1 2 . 1 1 45 45 ILE N N 45 120.438 120.438 117.585 2.853 18864 622 1 2 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.124 0.295 18864 623 1 2 . 1 1 45 45 ILE CA C 45 61.859 61.859 61.517 0.342 18864 624 1 2 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.176 -1.047 18864 625 1 2 . 1 1 45 45 ILE H H 45 9.238 9.238 8.514 0.724 18864 626 1 2 . 1 1 46 46 ASP N N 46 120.068 120.068 122.257 -2.189 18864 627 1 2 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.691 -0.313 18864 628 1 2 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.364 -0.612 18864 629 1 2 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.626 -0.210 18864 630 1 2 . 1 1 46 46 ASP H H 46 7.488 7.488 7.705 -0.217 18864 631 1 2 . 1 1 47 47 GLY N N 47 114.910 114.910 113.657 1.253 18864 632 1 2 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.115 0.203 18864 633 1 2 . 1 1 47 47 GLY H H 47 8.562 8.562 8.086 0.476 18864 634 1 2 . 1 1 48 48 GLY N N 48 106.725 106.725 110.312 -3.587 18864 635 1 2 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.064 -0.438 18864 636 1 2 . 1 1 48 48 GLY H H 48 8.328 8.328 8.307 0.021 18864 637 1 2 . 1 1 49 49 SER N N 49 110.646 110.646 118.682 -8.036 18864 638 1 2 . 1 1 49 49 SER HA H 49 4.560 4.560 4.204 0.356 18864 639 1 2 . 1 1 49 49 SER CA C 49 59.559 59.559 62.295 -2.736 18864 640 1 2 . 1 1 49 49 SER CB C 49 65.469 65.469 62.901 2.568 18864 641 1 2 . 1 1 49 49 SER H H 49 7.255 7.255 9.192 -1.937 18864 642 1 2 . 1 1 50 50 ALA N N 50 130.821 130.821 125.576 5.245 18864 643 1 2 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.126 -0.300 18864 644 1 2 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.024 1.846 18864 645 1 2 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.064 1.321 18864 646 1 2 . 1 1 50 50 ALA H H 50 8.571 8.571 8.234 0.337 18864 647 1 2 . 1 1 51 51 LYS N N 51 110.700 110.700 117.984 -7.284 18864 648 1 2 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.068 0.169 18864 649 1 2 . 1 1 51 51 LYS CA C 51 57.587 57.587 59.026 -1.439 18864 650 1 2 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.239 -0.121 18864 651 1 2 . 1 1 51 51 LYS H H 51 7.761 7.761 8.511 -0.750 18864 652 1 2 . 1 1 52 52 ARG N N 52 120.280 120.280 117.824 2.456 18864 653 1 2 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.408 0.379 18864 654 1 2 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.712 -1.510 18864 655 1 2 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.098 -0.594 18864 656 1 2 . 1 1 52 52 ARG H H 52 7.650 7.650 7.585 0.065 18864 657 1 2 . 1 1 53 53 ASP N N 53 117.809 117.809 117.483 0.326 18864 658 1 2 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.349 0.052 18864 659 1 2 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.607 0.740 18864 660 1 2 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.473 -0.851 18864 661 1 2 . 1 1 53 53 ASP H H 53 8.157 8.157 7.963 0.194 18864 662 1 2 . 1 1 54 54 GLY N N 54 104.041 104.041 105.931 -1.890 18864 663 1 2 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.204 -0.576 18864 664 1 2 . 1 1 54 54 GLY H H 54 8.279 8.279 9.222 -0.943 18864 665 1 2 . 1 1 55 55 SER N N 55 113.436 113.436 120.006 -6.570 18864 666 1 2 . 1 1 55 55 SER HA H 55 4.578 4.578 4.366 0.212 18864 667 1 2 . 1 1 55 55 SER CA C 55 59.851 59.851 59.370 0.481 18864 668 1 2 . 1 1 55 55 SER CB C 55 64.102 64.102 62.276 1.826 18864 669 1 2 . 1 1 55 55 SER H H 55 7.524 7.524 8.204 -0.680 18864 670 1 2 . 1 1 56 56 LEU N N 56 126.328 126.328 125.986 0.342 18864 671 1 2 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.022 0.469 18864 672 1 2 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.337 -2.200 18864 673 1 2 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.182 1.078 18864 674 1 2 . 1 1 56 56 LEU H H 56 8.818 8.818 8.815 0.003 18864 675 1 2 . 1 1 57 57 GLY N N 57 107.077 107.077 104.426 2.651 18864 676 1 2 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.709 0.486 18864 677 1 2 . 1 1 57 57 GLY H H 57 8.072 8.072 7.846 0.226 18864 678 1 2 . 1 1 58 58 TYR N N 58 115.734 115.734 121.643 -5.909 18864 679 1 2 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.601 0.590 18864 680 1 2 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.480 -0.631 18864 681 1 2 . 1 1 58 58 TYR CB C 58 40.674 40.674 39.054 1.620 18864 682 1 2 . 1 1 58 58 TYR H H 58 8.348 8.348 8.496 -0.148 18864 683 1 2 . 1 1 59 59 PHE N N 59 118.174 118.174 120.084 -1.910 18864 684 1 2 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.931 0.106 18864 685 1 2 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.238 0.077 18864 686 1 2 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.742 -0.152 18864 687 1 2 . 1 1 59 59 PHE H H 59 9.136 9.136 8.026 1.110 18864 688 1 2 . 1 1 60 60 GLY N N 60 106.839 106.839 108.221 -1.382 18864 689 1 2 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.494 -0.333 18864 690 1 2 . 1 1 60 60 GLY H H 60 8.594 8.594 8.650 -0.056 18864 691 1 2 . 1 1 61 61 ARG N N 61 119.161 119.161 119.657 -0.496 18864 692 1 2 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.246 -0.243 18864 693 1 2 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.211 0.208 18864 694 1 2 . 1 1 61 61 ARG CB C 61 30.298 30.298 31.044 -0.747 18864 695 1 2 . 1 1 61 61 ARG H H 61 8.833 8.833 8.624 0.209 18864 696 1 2 . 1 1 62 62 GLY N N 62 112.714 112.714 112.418 0.296 18864 697 1 2 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.943 -0.442 18864 698 1 2 . 1 1 62 62 GLY H H 62 10.418 10.418 10.176 0.242 18864 699 1 2 . 1 1 63 63 LYS N N 63 120.687 120.687 121.672 -0.985 18864 700 1 2 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.111 0.275 18864 701 1 2 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.782 -0.663 18864 702 1 2 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.630 2.232 18864 703 1 2 . 1 1 63 63 LYS H H 63 7.706 7.706 7.820 -0.114 18864 704 1 2 . 1 1 64 64 MET N N 64 117.704 117.704 117.567 0.137 18864 705 1 2 . 1 1 64 64 MET HA H 64 4.608 4.608 4.202 0.406 18864 706 1 2 . 1 1 64 64 MET CA C 64 51.959 51.959 53.125 -1.166 18864 707 1 2 . 1 1 64 64 MET CB C 64 33.012 33.012 32.923 0.089 18864 708 1 2 . 1 1 64 64 MET H H 64 9.046 9.046 7.724 1.322 18864 709 1 2 . 1 1 65 65 VAL N N 65 113.540 113.540 117.353 -3.813 18864 710 1 2 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.093 0.120 18864 711 1 2 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.844 0.496 18864 712 1 2 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.005 -0.204 18864 713 1 2 . 1 1 65 65 VAL H H 65 8.043 8.043 8.120 -0.077 18864 714 1 2 . 1 1 66 66 LYS N N 66 124.592 124.592 125.990 -1.398 18864 715 1 2 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.144 0.059 18864 716 1 2 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.060 0.362 18864 717 1 2 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.705 0.728 18864 718 1 2 . 1 1 66 66 LYS H H 66 8.877 8.877 9.033 -0.156 18864 719 1 2 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.320 0.131 18864 720 1 2 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.658 0.391 18864 721 1 2 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.319 -0.068 18864 722 1 2 . 1 1 68 68 PHE N N 68 115.149 115.149 120.406 -5.257 18864 723 1 2 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.059 -0.372 18864 724 1 2 . 1 1 68 68 PHE CA C 68 60.756 60.756 62.129 -1.373 18864 725 1 2 . 1 1 68 68 PHE CB C 68 40.182 40.182 39.041 1.141 18864 726 1 2 . 1 1 68 68 PHE H H 68 6.997 6.997 8.031 -1.034 18864 727 1 2 . 1 1 69 69 GLU N N 69 119.933 119.933 119.489 0.444 18864 728 1 2 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.231 -0.235 18864 729 1 2 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.155 0.809 18864 730 1 2 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.508 1.417 18864 731 1 2 . 1 1 69 69 GLU H H 69 8.562 8.562 8.469 0.093 18864 732 1 2 . 1 1 70 70 ASP N N 70 116.956 116.956 120.019 -3.063 18864 733 1 2 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.434 -0.049 18864 734 1 2 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.255 -0.082 18864 735 1 2 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.740 -0.553 18864 736 1 2 . 1 1 70 70 ASP H H 70 9.074 9.074 8.534 0.540 18864 737 1 2 . 1 1 71 71 ALA N N 71 117.745 117.745 121.869 -4.124 18864 738 1 2 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.036 0.136 18864 739 1 2 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.939 -0.624 18864 740 1 2 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.500 2.002 18864 741 1 2 . 1 1 71 71 ALA H H 71 6.888 6.888 8.084 -1.196 18864 742 1 2 . 1 1 72 72 ALA N N 72 120.783 120.783 121.709 -0.926 18864 743 1 2 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.894 -0.148 18864 744 1 2 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.659 0.734 18864 745 1 2 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.749 0.335 18864 746 1 2 . 1 1 72 72 ALA H H 72 8.860 8.860 8.151 0.709 18864 747 1 2 . 1 1 73 73 PHE N N 73 110.353 110.353 117.038 -6.685 18864 748 1 2 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.159 -0.138 18864 749 1 2 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.966 -0.400 18864 750 1 2 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.719 -0.392 18864 751 1 2 . 1 1 73 73 PHE H H 73 8.275 8.275 8.813 -0.538 18864 752 1 2 . 1 1 74 74 ARG N N 74 116.189 116.189 118.500 -2.311 18864 753 1 2 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.119 0.355 18864 754 1 2 . 1 1 74 74 ARG CA C 74 56.367 56.367 58.932 -2.565 18864 755 1 2 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.085 1.615 18864 756 1 2 . 1 1 74 74 ARG H H 74 7.047 7.047 7.638 -0.591 18864 757 1 2 . 1 1 75 75 LEU N N 75 119.425 119.425 118.149 1.276 18864 758 1 2 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.441 -0.162 18864 759 1 2 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.159 0.842 18864 760 1 2 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.245 2.900 18864 761 1 2 . 1 1 75 75 LEU H H 75 7.033 7.033 7.567 -0.534 18864 762 1 2 . 1 1 76 76 GLN N N 76 121.205 121.205 120.944 0.261 18864 763 1 2 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.779 0.628 18864 764 1 2 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.237 -4.778 18864 765 1 2 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.436 1.184 18864 766 1 2 . 1 1 76 76 GLN H H 76 9.087 9.087 7.836 1.251 18864 767 1 2 . 1 1 77 77 VAL N N 77 121.809 121.809 117.075 4.734 18864 768 1 2 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.743 0.660 18864 769 1 2 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.142 3.441 18864 770 1 2 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.008 -3.392 18864 771 1 2 . 1 1 77 77 VAL H H 77 8.901 8.901 7.932 0.969 18864 772 1 2 . 1 1 78 78 GLY N N 78 117.559 117.559 105.687 11.872 18864 773 1 2 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.492 0.641 18864 774 1 2 . 1 1 78 78 GLY H H 78 9.049 9.049 7.922 1.127 18864 775 1 2 . 1 1 79 79 GLU N N 79 122.304 122.304 120.182 2.122 18864 776 1 2 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.219 0.048 18864 777 1 2 . 1 1 79 79 GLU CA C 79 56.547 56.547 57.157 -0.610 18864 778 1 2 . 1 1 79 79 GLU CB C 79 32.290 32.290 30.713 1.577 18864 779 1 2 . 1 1 79 79 GLU H H 79 8.093 8.093 8.238 -0.145 18864 780 1 2 . 1 1 80 80 VAL N N 80 122.253 122.253 119.058 3.195 18864 781 1 2 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.318 0.728 18864 782 1 2 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.076 -0.754 18864 783 1 2 . 1 1 80 80 VAL CB C 80 33.557 33.557 33.689 -0.132 18864 784 1 2 . 1 1 80 80 VAL H H 80 8.133 8.133 8.244 -0.111 18864 785 1 2 . 1 1 81 81 SER N N 81 125.484 125.484 123.488 1.996 18864 786 1 2 . 1 1 81 81 SER HA H 81 4.346 4.346 4.358 -0.012 18864 787 1 2 . 1 1 81 81 SER CA C 81 59.316 59.316 58.531 0.785 18864 788 1 2 . 1 1 81 81 SER CB C 81 65.988 65.988 64.037 1.951 18864 789 1 2 . 1 1 81 81 SER H H 81 9.927 9.927 8.971 0.956 18864 790 1 2 . 1 1 82 82 GLU N N 82 116.381 116.381 120.515 -4.134 18864 791 1 2 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.472 0.151 18864 792 1 2 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.758 0.893 18864 793 1 2 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.897 -0.567 18864 794 1 2 . 1 1 82 82 GLU H H 82 7.986 7.986 8.577 -0.591 18864 795 1 2 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.393 0.340 18864 796 1 2 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.491 0.191 18864 797 1 2 . 1 1 83 83 PRO CB C 83 31.442 31.442 32.082 -0.640 18864 798 1 2 . 1 1 84 84 VAL N N 84 127.594 127.594 125.571 2.023 18864 799 1 2 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.327 0.034 18864 800 1 2 . 1 1 84 84 VAL CA C 84 61.251 61.251 61.127 0.124 18864 801 1 2 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.722 0.888 18864 802 1 2 . 1 1 84 84 VAL H H 84 9.630 9.630 8.977 0.653 18864 803 1 2 . 1 1 85 85 LYS N N 85 130.184 130.184 129.498 0.686 18864 804 1 2 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.133 0.147 18864 805 1 2 . 1 1 85 85 LYS CA C 85 56.161 56.161 54.922 1.239 18864 806 1 2 . 1 1 85 85 LYS CB C 85 33.684 33.684 32.975 0.709 18864 807 1 2 . 1 1 85 85 LYS H H 85 8.827 8.827 8.638 0.189 18864 808 1 2 . 1 1 86 86 SER N N 86 125.071 125.071 120.305 4.766 18864 809 1 2 . 1 1 86 86 SER HA H 86 4.925 4.925 4.812 0.113 18864 810 1 2 . 1 1 86 86 SER CA C 86 56.939 56.939 56.916 0.023 18864 811 1 2 . 1 1 86 86 SER CB C 86 67.836 67.836 66.311 1.525 18864 812 1 2 . 1 1 86 86 SER H H 86 9.594 9.594 8.811 0.783 18864 813 1 2 . 1 1 87 87 GLU N N 87 118.510 118.510 120.486 -1.976 18864 814 1 2 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.106 0.014 18864 815 1 2 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.905 -0.820 18864 816 1 2 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.548 -0.168 18864 817 1 2 . 1 1 87 87 GLU H H 87 9.615 9.615 9.007 0.608 18864 818 1 2 . 1 1 88 88 PHE N N 88 118.385 118.385 117.672 0.713 18864 819 1 2 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.283 0.256 18864 820 1 2 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.995 -1.494 18864 821 1 2 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.960 0.199 18864 822 1 2 . 1 1 88 88 PHE H H 88 8.817 8.817 8.021 0.796 18864 823 1 2 . 1 1 89 89 GLY N N 89 107.269 107.269 104.033 3.236 18864 824 1 2 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.991 0.097 18864 825 1 2 . 1 1 89 89 GLY H H 89 7.405 7.405 7.964 -0.559 18864 826 1 2 . 1 1 90 90 TYR N N 90 119.181 119.181 122.017 -2.836 18864 827 1 2 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.769 -0.689 18864 828 1 2 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.376 -0.040 18864 829 1 2 . 1 1 90 90 TYR CB C 90 41.829 41.829 41.237 0.592 18864 830 1 2 . 1 1 90 90 TYR H H 90 9.119 9.119 8.662 0.457 18864 831 1 2 . 1 1 91 91 HIS N N 91 120.399 120.399 122.823 -2.424 18864 832 1 2 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.731 -0.174 18864 833 1 2 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.580 -0.134 18864 834 1 2 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.337 -2.040 18864 835 1 2 . 1 1 91 91 HIS H H 91 9.879 9.879 9.658 0.221 18864 836 1 2 . 1 1 92 92 VAL N N 92 122.606 122.606 123.614 -1.008 18864 837 1 2 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.805 -0.818 18864 838 1 2 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.197 2.731 18864 839 1 2 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.750 -0.528 18864 840 1 2 . 1 1 92 92 VAL H H 92 9.102 9.102 9.341 -0.239 18864 841 1 2 . 1 1 93 93 ILE N N 93 128.087 128.087 128.149 -0.062 18864 842 1 2 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.165 -0.386 18864 843 1 2 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.956 0.980 18864 844 1 2 . 1 1 93 93 ILE CB C 93 41.772 41.772 41.281 0.491 18864 845 1 2 . 1 1 93 93 ILE H H 93 8.623 8.623 9.718 -1.095 18864 846 1 2 . 1 1 94 94 LYS N N 94 125.877 125.877 126.076 -0.199 18864 847 1 2 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.213 0.098 18864 848 1 2 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.356 0.877 18864 849 1 2 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.643 -0.155 18864 850 1 2 . 1 1 94 94 LYS H H 94 8.881 8.881 8.821 0.060 18864 851 1 2 . 1 1 95 95 ARG N N 95 126.274 126.274 123.785 2.489 18864 852 1 2 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.220 0.803 18864 853 1 2 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.752 -0.738 18864 854 1 2 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.096 -1.339 18864 855 1 2 . 1 1 95 95 ARG H H 95 7.955 7.955 7.872 0.083 18864 856 1 2 . 1 1 96 96 LEU N N 96 129.551 129.551 126.125 3.426 18864 857 1 2 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.416 0.171 18864 858 1 2 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.783 0.738 18864 859 1 2 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.210 0.174 18864 860 1 2 . 1 1 96 96 LEU H H 96 9.017 9.017 8.649 0.368 18864 861 1 3 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.575 -0.105 18864 862 1 3 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.574 0.672 18864 863 1 3 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.378 0.010 18864 864 1 3 . 1 1 3 3 MET HA H 3 4.476 4.476 4.889 -0.413 18864 865 1 3 . 1 1 3 3 MET CA C 3 56.002 56.002 53.796 2.206 18864 866 1 3 . 1 1 3 3 MET CB C 3 32.025 32.025 33.931 -1.906 18864 867 1 3 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.293 0.140 18864 868 1 3 . 1 1 5 5 SER HA H 5 4.427 4.427 4.686 -0.259 18864 869 1 3 . 1 1 5 5 SER CA C 5 58.631 58.631 56.892 1.739 18864 870 1 3 . 1 1 5 5 SER CB C 5 64.117 64.117 64.155 -0.038 18864 871 1 3 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.533 -0.108 18864 872 1 3 . 1 1 7 7 ALA CA C 7 52.645 52.645 51.585 1.060 18864 873 1 3 . 1 1 7 7 ALA CB C 7 19.616 19.616 19.366 0.250 18864 874 1 3 . 1 1 8 8 ASP N N 8 119.103 119.103 117.871 1.232 18864 875 1 3 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.501 0.120 18864 876 1 3 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.597 -0.428 18864 877 1 3 . 1 1 8 8 ASP CB C 8 41.375 41.375 40.358 1.017 18864 878 1 3 . 1 1 8 8 ASP H H 8 8.353 8.353 8.526 -0.173 18864 879 1 3 . 1 1 9 9 LYS N N 9 117.781 117.781 118.568 -0.787 18864 880 1 3 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.420 0.546 18864 881 1 3 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.841 -0.474 18864 882 1 3 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.977 2.103 18864 883 1 3 . 1 1 9 9 LYS H H 9 7.858 7.858 7.629 0.229 18864 884 1 3 . 1 1 10 10 ILE N N 10 114.675 114.675 120.762 -6.087 18864 885 1 3 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.008 0.506 18864 886 1 3 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.738 1.822 18864 887 1 3 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.901 4.494 18864 888 1 3 . 1 1 10 10 ILE H H 10 8.254 8.254 8.170 0.084 18864 889 1 3 . 1 1 11 11 LYS N N 11 121.626 121.626 128.262 -6.636 18864 890 1 3 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.671 0.120 18864 891 1 3 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.491 -2.580 18864 892 1 3 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.773 1.830 18864 893 1 3 . 1 1 11 11 LYS H H 11 7.974 7.974 8.739 -0.765 18864 894 1 3 . 1 1 12 12 CYS N N 12 118.054 118.054 123.327 -5.273 18864 895 1 3 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.279 0.359 18864 896 1 3 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.281 0.377 18864 897 1 3 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.291 2.334 18864 898 1 3 . 1 1 12 12 CYS H H 12 7.256 7.256 9.489 -2.233 18864 899 1 3 . 1 1 13 13 SER N N 13 117.042 117.042 116.240 0.802 18864 900 1 3 . 1 1 13 13 SER HA H 13 5.625 5.625 5.687 -0.062 18864 901 1 3 . 1 1 13 13 SER CA C 13 56.017 56.017 57.273 -1.256 18864 902 1 3 . 1 1 13 13 SER CB C 13 66.920 66.920 65.886 1.034 18864 903 1 3 . 1 1 13 13 SER H H 13 9.186 9.186 9.007 0.179 18864 904 1 3 . 1 1 14 14 HIS N N 14 119.162 119.162 120.608 -1.446 18864 905 1 3 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.230 0.180 18864 906 1 3 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.959 0.636 18864 907 1 3 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.066 3.557 18864 908 1 3 . 1 1 14 14 HIS H H 14 9.902 9.902 9.619 0.283 18864 909 1 3 . 1 1 15 15 ILE N N 15 121.809 121.809 121.447 0.362 18864 910 1 3 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.125 -0.688 18864 911 1 3 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.791 2.085 18864 912 1 3 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.505 0.288 18864 913 1 3 . 1 1 15 15 ILE H H 15 8.913 8.913 9.152 -0.239 18864 914 1 3 . 1 1 16 16 LEU N N 16 129.008 129.008 128.244 0.764 18864 915 1 3 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.245 -0.227 18864 916 1 3 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.724 -1.061 18864 917 1 3 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.170 1.846 18864 918 1 3 . 1 1 16 16 LEU H H 16 7.632 7.632 8.448 -0.816 18864 919 1 3 . 1 1 17 17 VAL N N 17 117.991 117.991 117.361 0.630 18864 920 1 3 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.659 0.300 18864 921 1 3 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.337 -0.497 18864 922 1 3 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.938 -0.149 18864 923 1 3 . 1 1 17 17 VAL H H 17 9.025 9.025 9.155 -0.130 18864 924 1 3 . 1 1 18 18 LYS N N 18 119.296 119.296 120.820 -1.524 18864 925 1 3 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.198 0.203 18864 926 1 3 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.214 0.159 18864 927 1 3 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.910 1.400 18864 928 1 3 . 1 1 18 18 LYS H H 18 8.781 8.781 8.405 0.376 18864 929 1 3 . 1 1 19 19 LYS N N 19 114.107 114.107 117.762 -3.655 18864 930 1 3 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.214 0.621 18864 931 1 3 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.361 0.364 18864 932 1 3 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.581 1.224 18864 933 1 3 . 1 1 19 19 LYS H H 19 8.023 8.023 8.128 -0.105 18864 934 1 3 . 1 1 20 20 GLN N N 20 125.662 125.662 122.989 2.673 18864 935 1 3 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.588 1.266 18864 936 1 3 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.462 -0.027 18864 937 1 3 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.183 -0.214 18864 938 1 3 . 1 1 20 20 GLN H H 20 8.795 8.795 8.230 0.565 18864 939 1 3 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.689 0.308 18864 940 1 3 . 1 1 22 22 GLU N N 22 119.712 119.712 122.402 -2.690 18864 941 1 3 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.990 0.125 18864 942 1 3 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.479 -1.357 18864 943 1 3 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.333 0.383 18864 944 1 3 . 1 1 22 22 GLU H H 22 6.765 6.765 8.305 -1.540 18864 945 1 3 . 1 1 23 23 ALA N N 23 124.106 124.106 123.392 0.714 18864 946 1 3 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.959 -0.191 18864 947 1 3 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.492 -0.587 18864 948 1 3 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.417 -0.614 18864 949 1 3 . 1 1 23 23 ALA H H 23 7.461 7.461 8.009 -0.548 18864 950 1 3 . 1 1 24 24 LEU N N 24 118.772 118.772 119.806 -1.034 18864 951 1 3 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.334 -0.155 18864 952 1 3 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.007 0.830 18864 953 1 3 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.211 0.993 18864 954 1 3 . 1 1 24 24 LEU H H 24 7.989 7.989 8.492 -0.503 18864 955 1 3 . 1 1 25 25 ALA N N 25 121.590 121.590 122.630 -1.040 18864 956 1 3 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.990 0.206 18864 957 1 3 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.592 -0.396 18864 958 1 3 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.277 -0.381 18864 959 1 3 . 1 1 25 25 ALA H H 25 7.472 7.472 8.527 -1.054 18864 960 1 3 . 1 1 26 26 VAL N N 26 118.603 118.603 116.314 2.289 18864 961 1 3 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.643 -0.373 18864 962 1 3 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.424 1.883 18864 963 1 3 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.093 1.319 18864 964 1 3 . 1 1 26 26 VAL H H 26 7.633 7.633 8.206 -0.573 18864 965 1 3 . 1 1 27 27 GLN N N 27 117.799 117.799 120.642 -2.843 18864 966 1 3 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.982 -0.026 18864 967 1 3 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.471 0.828 18864 968 1 3 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.455 1.365 18864 969 1 3 . 1 1 27 27 GLN H H 27 8.000 8.000 8.623 -0.623 18864 970 1 3 . 1 1 28 28 GLU N N 28 118.775 118.775 118.325 0.450 18864 971 1 3 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.130 -0.113 18864 972 1 3 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.508 1.067 18864 973 1 3 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.301 0.309 18864 974 1 3 . 1 1 28 28 GLU H H 28 8.107 8.107 8.515 -0.408 18864 975 1 3 . 1 1 29 29 ARG N N 29 121.360 121.360 120.996 0.364 18864 976 1 3 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.013 0.113 18864 977 1 3 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.277 0.797 18864 978 1 3 . 1 1 29 29 ARG CB C 29 31.381 31.381 29.969 1.412 18864 979 1 3 . 1 1 29 29 ARG H H 29 8.084 8.084 8.129 -0.045 18864 980 1 3 . 1 1 30 30 LEU N N 30 120.289 120.289 118.379 1.910 18864 981 1 3 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.416 -0.081 18864 982 1 3 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.045 -0.373 18864 983 1 3 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.386 0.354 18864 984 1 3 . 1 1 30 30 LEU H H 30 8.379 8.379 8.642 -0.263 18864 985 1 3 . 1 1 31 31 LYS N N 31 122.554 122.554 118.573 3.981 18864 986 1 3 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.094 -0.041 18864 987 1 3 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.256 1.173 18864 988 1 3 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.415 0.904 18864 989 1 3 . 1 1 31 31 LYS H H 31 8.280 8.280 7.583 0.697 18864 990 1 3 . 1 1 32 32 ALA N N 32 119.271 119.271 119.213 0.058 18864 991 1 3 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.210 0.168 18864 992 1 3 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.114 -0.538 18864 993 1 3 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.360 -0.539 18864 994 1 3 . 1 1 32 32 ALA H H 32 7.557 7.557 7.644 -0.087 18864 995 1 3 . 1 1 33 33 GLY N N 33 105.104 105.104 104.920 0.184 18864 996 1 3 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.495 0.250 18864 997 1 3 . 1 1 33 33 GLY H H 33 7.758 7.758 7.853 -0.095 18864 998 1 3 . 1 1 34 34 GLU N N 34 121.024 121.024 120.731 0.293 18864 999 1 3 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.282 -0.003 18864 1000 1 3 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.248 1.924 18864 1001 1 3 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.548 0.188 18864 1002 1 3 . 1 1 34 34 GLU H H 34 7.871 7.871 7.759 0.112 18864 1003 1 3 . 1 1 35 35 LYS N N 35 121.214 121.214 121.454 -0.240 18864 1004 1 3 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.354 -0.089 18864 1005 1 3 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.521 -0.204 18864 1006 1 3 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.941 0.121 18864 1007 1 3 . 1 1 35 35 LYS H H 35 8.776 8.776 8.564 0.212 18864 1008 1 3 . 1 1 36 36 PHE N N 36 125.726 125.726 124.413 1.313 18864 1009 1 3 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.183 -0.540 18864 1010 1 3 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.544 0.286 18864 1011 1 3 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.342 0.953 18864 1012 1 3 . 1 1 36 36 PHE H H 36 8.972 8.972 9.010 -0.038 18864 1013 1 3 . 1 1 37 37 GLY N N 37 103.959 103.959 106.337 -2.378 18864 1014 1 3 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.900 0.445 18864 1015 1 3 . 1 1 37 37 GLY H H 37 9.123 9.123 8.820 0.303 18864 1016 1 3 . 1 1 38 38 LYS N N 38 120.432 120.432 122.688 -2.256 18864 1017 1 3 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.023 0.035 18864 1018 1 3 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.272 -0.243 18864 1019 1 3 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.390 0.265 18864 1020 1 3 . 1 1 38 38 LYS H H 38 6.683 6.683 8.050 -1.367 18864 1021 1 3 . 1 1 39 39 LEU N N 39 119.598 119.598 119.404 0.194 18864 1022 1 3 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.976 -0.069 18864 1023 1 3 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.634 -0.020 18864 1024 1 3 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.624 1.120 18864 1025 1 3 . 1 1 39 39 LEU H H 39 7.754 7.754 8.042 -0.288 18864 1026 1 3 . 1 1 40 40 ALA N N 40 121.385 121.385 123.026 -1.641 18864 1027 1 3 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.971 -0.199 18864 1028 1 3 . 1 1 40 40 ALA CA C 40 55.875 55.875 55.031 0.844 18864 1029 1 3 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.390 -1.205 18864 1030 1 3 . 1 1 40 40 ALA H H 40 8.437 8.437 8.429 0.008 18864 1031 1 3 . 1 1 41 41 LYS N N 41 116.991 116.991 117.455 -0.464 18864 1032 1 3 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.075 -0.153 18864 1033 1 3 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.416 1.343 18864 1034 1 3 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.137 0.474 18864 1035 1 3 . 1 1 41 41 LYS H H 41 7.681 7.681 8.275 -0.594 18864 1036 1 3 . 1 1 42 42 GLU N N 42 117.121 117.121 117.795 -0.674 18864 1037 1 3 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.093 -0.065 18864 1038 1 3 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.693 0.367 18864 1039 1 3 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.391 1.104 18864 1040 1 3 . 1 1 42 42 GLU H H 42 7.796 7.796 7.996 -0.200 18864 1041 1 3 . 1 1 43 43 LEU N N 43 112.754 112.754 113.749 -0.995 18864 1042 1 3 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.636 -0.097 18864 1043 1 3 . 1 1 43 43 LEU CA C 43 55.177 55.177 54.037 1.140 18864 1044 1 3 . 1 1 43 43 LEU CB C 43 45.062 45.062 42.724 2.338 18864 1045 1 3 . 1 1 43 43 LEU H H 43 8.305 8.305 8.099 0.206 18864 1046 1 3 . 1 1 44 44 SER N N 44 110.514 110.514 116.644 -6.130 18864 1047 1 3 . 1 1 44 44 SER HA H 44 4.707 4.707 4.398 0.309 18864 1048 1 3 . 1 1 44 44 SER CA C 44 57.490 57.490 59.767 -2.277 18864 1049 1 3 . 1 1 44 44 SER CB C 44 65.461 65.461 63.629 1.832 18864 1050 1 3 . 1 1 44 44 SER H H 44 8.255 8.255 7.414 0.841 18864 1051 1 3 . 1 1 45 45 ILE N N 45 120.438 120.438 118.260 2.178 18864 1052 1 3 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.049 0.370 18864 1053 1 3 . 1 1 45 45 ILE CA C 45 61.859 61.859 61.866 -0.007 18864 1054 1 3 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.021 -0.892 18864 1055 1 3 . 1 1 45 45 ILE H H 45 9.238 9.238 8.607 0.631 18864 1056 1 3 . 1 1 46 46 ASP N N 46 120.068 120.068 121.999 -1.931 18864 1057 1 3 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.718 -0.340 18864 1058 1 3 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.803 -0.052 18864 1059 1 3 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.546 -0.130 18864 1060 1 3 . 1 1 46 46 ASP H H 46 7.488 7.488 7.685 -0.197 18864 1061 1 3 . 1 1 47 47 GLY N N 47 114.910 114.910 113.117 1.793 18864 1062 1 3 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.981 0.337 18864 1063 1 3 . 1 1 47 47 GLY H H 47 8.562 8.562 8.047 0.515 18864 1064 1 3 . 1 1 48 48 GLY N N 48 106.725 106.725 109.904 -3.179 18864 1065 1 3 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.961 -0.335 18864 1066 1 3 . 1 1 48 48 GLY H H 48 8.328 8.328 8.103 0.225 18864 1067 1 3 . 1 1 49 49 SER N N 49 110.646 110.646 118.263 -7.617 18864 1068 1 3 . 1 1 49 49 SER HA H 49 4.560 4.560 4.273 0.287 18864 1069 1 3 . 1 1 49 49 SER CA C 49 59.559 59.559 61.818 -2.259 18864 1070 1 3 . 1 1 49 49 SER CB C 49 65.469 65.469 63.240 2.229 18864 1071 1 3 . 1 1 49 49 SER H H 49 7.255 7.255 8.816 -1.561 18864 1072 1 3 . 1 1 50 50 ALA N N 50 130.821 130.821 125.300 5.521 18864 1073 1 3 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.037 -0.211 18864 1074 1 3 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.922 1.948 18864 1075 1 3 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.011 1.374 18864 1076 1 3 . 1 1 50 50 ALA H H 50 8.571 8.571 8.187 0.384 18864 1077 1 3 . 1 1 51 51 LYS N N 51 110.700 110.700 117.304 -6.604 18864 1078 1 3 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.092 0.145 18864 1079 1 3 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.812 -1.225 18864 1080 1 3 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.185 -0.067 18864 1081 1 3 . 1 1 51 51 LYS H H 51 7.761 7.761 8.296 -0.535 18864 1082 1 3 . 1 1 52 52 ARG N N 52 120.280 120.280 118.335 1.945 18864 1083 1 3 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.454 0.333 18864 1084 1 3 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.542 -1.340 18864 1085 1 3 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.083 -0.579 18864 1086 1 3 . 1 1 52 52 ARG H H 52 7.650 7.650 7.483 0.167 18864 1087 1 3 . 1 1 53 53 ASP N N 53 117.809 117.809 117.782 0.027 18864 1088 1 3 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.322 0.079 18864 1089 1 3 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.663 0.684 18864 1090 1 3 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.924 -0.302 18864 1091 1 3 . 1 1 53 53 ASP H H 53 8.157 8.157 8.304 -0.147 18864 1092 1 3 . 1 1 54 54 GLY N N 54 104.041 104.041 104.771 -0.730 18864 1093 1 3 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.026 -0.398 18864 1094 1 3 . 1 1 54 54 GLY H H 54 8.279 8.279 9.138 -0.859 18864 1095 1 3 . 1 1 55 55 SER N N 55 113.436 113.436 119.560 -6.124 18864 1096 1 3 . 1 1 55 55 SER HA H 55 4.578 4.578 4.500 0.078 18864 1097 1 3 . 1 1 55 55 SER CA C 55 59.851 59.851 59.006 0.845 18864 1098 1 3 . 1 1 55 55 SER CB C 55 64.102 64.102 62.123 1.979 18864 1099 1 3 . 1 1 55 55 SER H H 55 7.524 7.524 8.117 -0.593 18864 1100 1 3 . 1 1 56 56 LEU N N 56 126.328 126.328 123.694 2.634 18864 1101 1 3 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.026 0.465 18864 1102 1 3 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.777 -2.639 18864 1103 1 3 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.259 1.001 18864 1104 1 3 . 1 1 56 56 LEU H H 56 8.818 8.818 8.385 0.433 18864 1105 1 3 . 1 1 57 57 GLY N N 57 107.077 107.077 103.789 3.288 18864 1106 1 3 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.803 0.392 18864 1107 1 3 . 1 1 57 57 GLY H H 57 8.072 8.072 8.391 -0.319 18864 1108 1 3 . 1 1 58 58 TYR N N 58 115.734 115.734 121.531 -5.797 18864 1109 1 3 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.021 0.170 18864 1110 1 3 . 1 1 58 58 TYR CA C 58 57.850 57.850 54.939 2.911 18864 1111 1 3 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.466 2.208 18864 1112 1 3 . 1 1 58 58 TYR H H 58 8.348 8.348 8.677 -0.329 18864 1113 1 3 . 1 1 59 59 PHE N N 59 118.174 118.174 121.154 -2.980 18864 1114 1 3 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.578 0.459 18864 1115 1 3 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.085 0.230 18864 1116 1 3 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.312 0.278 18864 1117 1 3 . 1 1 59 59 PHE H H 59 9.136 9.136 7.897 1.239 18864 1118 1 3 . 1 1 60 60 GLY N N 60 106.839 106.839 107.633 -0.794 18864 1119 1 3 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.362 -0.201 18864 1120 1 3 . 1 1 60 60 GLY H H 60 8.594 8.594 8.389 0.205 18864 1121 1 3 . 1 1 61 61 ARG N N 61 119.161 119.161 119.049 0.112 18864 1122 1 3 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.069 -0.066 18864 1123 1 3 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.115 0.304 18864 1124 1 3 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.755 -0.456 18864 1125 1 3 . 1 1 61 61 ARG H H 61 8.833 8.833 8.515 0.318 18864 1126 1 3 . 1 1 62 62 GLY N N 62 112.714 112.714 112.508 0.206 18864 1127 1 3 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.662 -0.161 18864 1128 1 3 . 1 1 62 62 GLY H H 62 10.418 10.418 10.073 0.345 18864 1129 1 3 . 1 1 63 63 LYS N N 63 120.687 120.687 120.860 -0.173 18864 1130 1 3 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.054 0.332 18864 1131 1 3 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.789 -0.669 18864 1132 1 3 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.597 2.265 18864 1133 1 3 . 1 1 63 63 LYS H H 63 7.706 7.706 8.264 -0.558 18864 1134 1 3 . 1 1 64 64 MET N N 64 117.704 117.704 117.551 0.153 18864 1135 1 3 . 1 1 64 64 MET HA H 64 4.608 4.608 4.143 0.465 18864 1136 1 3 . 1 1 64 64 MET CA C 64 51.959 51.959 52.109 -0.150 18864 1137 1 3 . 1 1 64 64 MET CB C 64 33.012 33.012 33.475 -0.463 18864 1138 1 3 . 1 1 64 64 MET H H 64 9.046 9.046 7.785 1.261 18864 1139 1 3 . 1 1 65 65 VAL N N 65 113.540 113.540 118.503 -4.963 18864 1140 1 3 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.077 0.136 18864 1141 1 3 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.810 0.530 18864 1142 1 3 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.101 -0.300 18864 1143 1 3 . 1 1 65 65 VAL H H 65 8.043 8.043 8.072 -0.029 18864 1144 1 3 . 1 1 66 66 LYS N N 66 124.592 124.592 124.017 0.575 18864 1145 1 3 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.378 -0.175 18864 1146 1 3 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.089 0.333 18864 1147 1 3 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.764 0.669 18864 1148 1 3 . 1 1 66 66 LYS H H 66 8.877 8.877 8.966 -0.088 18864 1149 1 3 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.320 0.131 18864 1150 1 3 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.157 -0.108 18864 1151 1 3 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.206 0.045 18864 1152 1 3 . 1 1 68 68 PHE N N 68 115.149 115.149 120.171 -5.022 18864 1153 1 3 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.056 -0.369 18864 1154 1 3 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.523 -0.767 18864 1155 1 3 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.881 1.301 18864 1156 1 3 . 1 1 68 68 PHE H H 68 6.997 6.997 7.798 -0.801 18864 1157 1 3 . 1 1 69 69 GLU N N 69 119.933 119.933 119.592 0.341 18864 1158 1 3 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.059 -0.063 18864 1159 1 3 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.252 0.712 18864 1160 1 3 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.599 1.326 18864 1161 1 3 . 1 1 69 69 GLU H H 69 8.562 8.562 8.838 -0.276 18864 1162 1 3 . 1 1 70 70 ASP N N 70 116.956 116.956 120.392 -3.436 18864 1163 1 3 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.480 -0.095 18864 1164 1 3 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.595 -0.422 18864 1165 1 3 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.767 -0.579 18864 1166 1 3 . 1 1 70 70 ASP H H 70 9.074 9.074 8.651 0.423 18864 1167 1 3 . 1 1 71 71 ALA N N 71 117.745 117.745 121.320 -3.575 18864 1168 1 3 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.057 0.115 18864 1169 1 3 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.049 -0.734 18864 1170 1 3 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.130 2.372 18864 1171 1 3 . 1 1 71 71 ALA H H 71 6.888 6.888 8.041 -1.153 18864 1172 1 3 . 1 1 72 72 ALA N N 72 120.783 120.783 122.174 -1.391 18864 1173 1 3 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.932 -0.186 18864 1174 1 3 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.950 0.443 18864 1175 1 3 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.724 0.360 18864 1176 1 3 . 1 1 72 72 ALA H H 72 8.860 8.860 7.967 0.893 18864 1177 1 3 . 1 1 73 73 PHE N N 73 110.353 110.353 115.358 -5.005 18864 1178 1 3 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.171 -0.150 18864 1179 1 3 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.926 -0.360 18864 1180 1 3 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.819 -0.492 18864 1181 1 3 . 1 1 73 73 PHE H H 73 8.275 8.275 8.086 0.189 18864 1182 1 3 . 1 1 74 74 ARG N N 74 116.189 116.189 119.088 -2.899 18864 1183 1 3 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.089 0.385 18864 1184 1 3 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.331 -2.964 18864 1185 1 3 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.596 1.104 18864 1186 1 3 . 1 1 74 74 ARG H H 74 7.047 7.047 8.101 -1.054 18864 1187 1 3 . 1 1 75 75 LEU N N 75 119.425 119.425 117.902 1.523 18864 1188 1 3 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.544 -0.265 18864 1189 1 3 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.880 1.121 18864 1190 1 3 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.633 2.512 18864 1191 1 3 . 1 1 75 75 LEU H H 75 7.033 7.033 8.408 -1.375 18864 1192 1 3 . 1 1 76 76 GLN N N 76 121.205 121.205 120.672 0.533 18864 1193 1 3 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.876 0.531 18864 1194 1 3 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.143 -4.684 18864 1195 1 3 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.367 1.253 18864 1196 1 3 . 1 1 76 76 GLN H H 76 9.087 9.087 7.761 1.326 18864 1197 1 3 . 1 1 77 77 VAL N N 77 121.809 121.809 117.597 4.212 18864 1198 1 3 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.678 0.725 18864 1199 1 3 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.706 2.877 18864 1200 1 3 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.064 -3.448 18864 1201 1 3 . 1 1 77 77 VAL H H 77 8.901 8.901 7.820 1.081 18864 1202 1 3 . 1 1 78 78 GLY N N 78 117.559 117.559 104.758 12.801 18864 1203 1 3 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.691 0.441 18864 1204 1 3 . 1 1 78 78 GLY H H 78 9.049 9.049 8.073 0.976 18864 1205 1 3 . 1 1 79 79 GLU N N 79 122.304 122.304 120.113 2.191 18864 1206 1 3 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.470 -0.203 18864 1207 1 3 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.078 0.469 18864 1208 1 3 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.084 1.206 18864 1209 1 3 . 1 1 79 79 GLU H H 79 8.093 8.093 7.911 0.182 18864 1210 1 3 . 1 1 80 80 VAL N N 80 122.253 122.253 119.793 2.460 18864 1211 1 3 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.361 0.685 18864 1212 1 3 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.816 -1.494 18864 1213 1 3 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.465 1.092 18864 1214 1 3 . 1 1 80 80 VAL H H 80 8.133 8.133 8.351 -0.218 18864 1215 1 3 . 1 1 81 81 SER N N 81 125.484 125.484 122.744 2.740 18864 1216 1 3 . 1 1 81 81 SER HA H 81 4.346 4.346 4.348 -0.002 18864 1217 1 3 . 1 1 81 81 SER CA C 81 59.316 59.316 58.620 0.696 18864 1218 1 3 . 1 1 81 81 SER CB C 81 65.988 65.988 64.299 1.689 18864 1219 1 3 . 1 1 81 81 SER H H 81 9.927 9.927 9.012 0.915 18864 1220 1 3 . 1 1 82 82 GLU N N 82 116.381 116.381 122.145 -5.764 18864 1221 1 3 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.574 0.049 18864 1222 1 3 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.690 0.961 18864 1223 1 3 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.873 -0.543 18864 1224 1 3 . 1 1 82 82 GLU H H 82 7.986 7.986 8.589 -0.603 18864 1225 1 3 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.434 0.299 18864 1226 1 3 . 1 1 83 83 PRO CA C 83 63.682 63.682 62.901 0.781 18864 1227 1 3 . 1 1 83 83 PRO CB C 83 31.442 31.442 32.216 -0.774 18864 1228 1 3 . 1 1 84 84 VAL N N 84 127.594 127.594 124.529 3.065 18864 1229 1 3 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.408 -0.047 18864 1230 1 3 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.429 0.822 18864 1231 1 3 . 1 1 84 84 VAL CB C 84 35.610 35.610 33.363 2.247 18864 1232 1 3 . 1 1 84 84 VAL H H 84 9.630 9.630 8.925 0.705 18864 1233 1 3 . 1 1 85 85 LYS N N 85 130.184 130.184 130.249 -0.065 18864 1234 1 3 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.577 -0.297 18864 1235 1 3 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.666 0.495 18864 1236 1 3 . 1 1 85 85 LYS CB C 85 33.684 33.684 32.934 0.750 18864 1237 1 3 . 1 1 85 85 LYS H H 85 8.827 8.827 8.792 0.035 18864 1238 1 3 . 1 1 86 86 SER N N 86 125.071 125.071 121.983 3.088 18864 1239 1 3 . 1 1 86 86 SER HA H 86 4.925 4.925 4.864 0.061 18864 1240 1 3 . 1 1 86 86 SER CA C 86 56.939 56.939 56.540 0.399 18864 1241 1 3 . 1 1 86 86 SER CB C 86 67.836 67.836 66.655 1.181 18864 1242 1 3 . 1 1 86 86 SER H H 86 9.594 9.594 8.896 0.698 18864 1243 1 3 . 1 1 87 87 GLU N N 87 118.510 118.510 120.040 -1.530 18864 1244 1 3 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.102 0.018 18864 1245 1 3 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.818 -0.733 18864 1246 1 3 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.539 -0.159 18864 1247 1 3 . 1 1 87 87 GLU H H 87 9.615 9.615 9.017 0.598 18864 1248 1 3 . 1 1 88 88 PHE N N 88 118.385 118.385 117.580 0.805 18864 1249 1 3 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.300 0.239 18864 1250 1 3 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.829 -1.328 18864 1251 1 3 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.994 0.165 18864 1252 1 3 . 1 1 88 88 PHE H H 88 8.817 8.817 8.077 0.740 18864 1253 1 3 . 1 1 89 89 GLY N N 89 107.269 107.269 103.713 3.556 18864 1254 1 3 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.897 0.191 18864 1255 1 3 . 1 1 89 89 GLY H H 89 7.405 7.405 8.000 -0.595 18864 1256 1 3 . 1 1 90 90 TYR N N 90 119.181 119.181 121.538 -2.357 18864 1257 1 3 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.125 -0.045 18864 1258 1 3 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.801 -0.465 18864 1259 1 3 . 1 1 90 90 TYR CB C 90 41.829 41.829 39.455 2.374 18864 1260 1 3 . 1 1 90 90 TYR H H 90 9.119 9.119 7.993 1.126 18864 1261 1 3 . 1 1 91 91 HIS N N 91 120.399 120.399 123.563 -3.164 18864 1262 1 3 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.400 0.157 18864 1263 1 3 . 1 1 91 91 HIS CA C 91 54.446 54.446 55.134 -0.688 18864 1264 1 3 . 1 1 91 91 HIS CB C 91 31.297 31.297 32.402 -1.105 18864 1265 1 3 . 1 1 91 91 HIS H H 91 9.879 9.879 9.659 0.220 18864 1266 1 3 . 1 1 92 92 VAL N N 92 122.606 122.606 124.192 -1.586 18864 1267 1 3 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.459 -0.472 18864 1268 1 3 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.221 2.707 18864 1269 1 3 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.850 -0.628 18864 1270 1 3 . 1 1 92 92 VAL H H 92 9.102 9.102 9.066 0.036 18864 1271 1 3 . 1 1 93 93 ILE N N 93 128.087 128.087 128.037 0.050 18864 1272 1 3 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.059 -0.280 18864 1273 1 3 . 1 1 93 93 ILE CA C 93 60.936 60.936 60.023 0.913 18864 1274 1 3 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.942 0.830 18864 1275 1 3 . 1 1 93 93 ILE H H 93 8.623 8.623 8.845 -0.222 18864 1276 1 3 . 1 1 94 94 LYS N N 94 125.877 125.877 126.384 -0.507 18864 1277 1 3 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.106 0.205 18864 1278 1 3 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.464 0.769 18864 1279 1 3 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.466 0.022 18864 1280 1 3 . 1 1 94 94 LYS H H 94 8.881 8.881 8.643 0.238 18864 1281 1 3 . 1 1 95 95 ARG N N 95 126.274 126.274 125.087 1.187 18864 1282 1 3 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.330 0.693 18864 1283 1 3 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.093 -0.079 18864 1284 1 3 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.937 -1.180 18864 1285 1 3 . 1 1 95 95 ARG H H 95 7.955 7.955 7.854 0.101 18864 1286 1 3 . 1 1 96 96 LEU N N 96 129.551 129.551 125.129 4.422 18864 1287 1 3 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.678 -0.091 18864 1288 1 3 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.651 0.869 18864 1289 1 3 . 1 1 96 96 LEU CB C 96 44.384 44.384 45.334 -0.950 18864 1290 1 3 . 1 1 96 96 LEU H H 96 9.017 9.017 8.713 0.304 18864 1291 1 4 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.487 -0.017 18864 1292 1 4 . 1 1 2 2 PRO CA C 2 63.246 63.246 63.105 0.141 18864 1293 1 4 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.402 -0.014 18864 1294 1 4 . 1 1 3 3 MET HA H 3 4.476 4.476 4.646 -0.170 18864 1295 1 4 . 1 1 3 3 MET CA C 3 56.002 56.002 55.614 0.388 18864 1296 1 4 . 1 1 3 3 MET CB C 3 32.025 32.025 34.313 -2.288 18864 1297 1 4 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.492 -0.059 18864 1298 1 4 . 1 1 5 5 SER HA H 5 4.427 4.427 4.759 -0.332 18864 1299 1 4 . 1 1 5 5 SER CA C 5 58.631 58.631 55.441 3.190 18864 1300 1 4 . 1 1 5 5 SER CB C 5 64.117 64.117 64.079 0.038 18864 1301 1 4 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.543 -0.118 18864 1302 1 4 . 1 1 7 7 ALA CA C 7 52.645 52.645 51.141 1.504 18864 1303 1 4 . 1 1 7 7 ALA CB C 7 19.616 19.616 17.995 1.621 18864 1304 1 4 . 1 1 8 8 ASP N N 8 119.103 119.103 120.134 -1.031 18864 1305 1 4 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.793 -0.172 18864 1306 1 4 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.852 -1.682 18864 1307 1 4 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.670 -0.295 18864 1308 1 4 . 1 1 8 8 ASP H H 8 8.353 8.353 7.900 0.453 18864 1309 1 4 . 1 1 9 9 LYS N N 9 117.781 117.781 118.561 -0.780 18864 1310 1 4 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.707 0.259 18864 1311 1 4 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.794 -0.427 18864 1312 1 4 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.517 1.563 18864 1313 1 4 . 1 1 9 9 LYS H H 9 7.858 7.858 7.365 0.493 18864 1314 1 4 . 1 1 10 10 ILE N N 10 114.675 114.675 120.644 -5.969 18864 1315 1 4 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.992 0.522 18864 1316 1 4 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.892 -0.332 18864 1317 1 4 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.626 3.769 18864 1318 1 4 . 1 1 10 10 ILE H H 10 8.254 8.254 8.280 -0.026 18864 1319 1 4 . 1 1 11 11 LYS N N 11 121.626 121.626 128.008 -6.382 18864 1320 1 4 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.682 0.109 18864 1321 1 4 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.028 -2.117 18864 1322 1 4 . 1 1 11 11 LYS CB C 11 33.603 33.603 32.082 1.521 18864 1323 1 4 . 1 1 11 11 LYS H H 11 7.974 7.974 8.682 -0.708 18864 1324 1 4 . 1 1 12 12 CYS N N 12 118.054 118.054 123.430 -5.376 18864 1325 1 4 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.363 0.275 18864 1326 1 4 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.194 0.464 18864 1327 1 4 . 1 1 12 12 CYS CB C 12 33.625 33.625 30.867 2.758 18864 1328 1 4 . 1 1 12 12 CYS H H 12 7.256 7.256 9.190 -1.934 18864 1329 1 4 . 1 1 13 13 SER N N 13 117.042 117.042 115.944 1.098 18864 1330 1 4 . 1 1 13 13 SER HA H 13 5.625 5.625 5.691 -0.066 18864 1331 1 4 . 1 1 13 13 SER CA C 13 56.017 56.017 57.334 -1.317 18864 1332 1 4 . 1 1 13 13 SER CB C 13 66.920 66.920 65.793 1.127 18864 1333 1 4 . 1 1 13 13 SER H H 13 9.186 9.186 9.006 0.180 18864 1334 1 4 . 1 1 14 14 HIS N N 14 119.162 119.162 121.037 -1.875 18864 1335 1 4 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.213 0.197 18864 1336 1 4 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.531 0.063 18864 1337 1 4 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.203 3.420 18864 1338 1 4 . 1 1 14 14 HIS H H 14 9.902 9.902 9.476 0.426 18864 1339 1 4 . 1 1 15 15 ILE N N 15 121.809 121.809 121.877 -0.068 18864 1340 1 4 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.073 -0.636 18864 1341 1 4 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.917 1.959 18864 1342 1 4 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.564 0.229 18864 1343 1 4 . 1 1 15 15 ILE H H 15 8.913 8.913 9.144 -0.231 18864 1344 1 4 . 1 1 16 16 LEU N N 16 129.008 129.008 130.286 -1.278 18864 1345 1 4 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.068 -0.050 18864 1346 1 4 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.542 -0.879 18864 1347 1 4 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.206 1.810 18864 1348 1 4 . 1 1 16 16 LEU H H 16 7.632 7.632 8.392 -0.760 18864 1349 1 4 . 1 1 17 17 VAL N N 17 117.991 117.991 122.439 -4.448 18864 1350 1 4 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.599 0.360 18864 1351 1 4 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.361 -0.520 18864 1352 1 4 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.856 -0.067 18864 1353 1 4 . 1 1 17 17 VAL H H 17 9.025 9.025 9.078 -0.053 18864 1354 1 4 . 1 1 18 18 LYS N N 18 119.296 119.296 121.367 -2.071 18864 1355 1 4 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.142 0.259 18864 1356 1 4 . 1 1 18 18 LYS CA C 18 59.373 59.373 58.945 0.428 18864 1357 1 4 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.936 1.374 18864 1358 1 4 . 1 1 18 18 LYS H H 18 8.781 8.781 8.570 0.211 18864 1359 1 4 . 1 1 19 19 LYS N N 19 114.107 114.107 118.320 -4.213 18864 1360 1 4 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.552 0.283 18864 1361 1 4 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.092 0.633 18864 1362 1 4 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.245 1.559 18864 1363 1 4 . 1 1 19 19 LYS H H 19 8.023 8.023 8.040 -0.017 18864 1364 1 4 . 1 1 20 20 GLN N N 20 125.662 125.662 122.279 3.383 18864 1365 1 4 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.697 1.157 18864 1366 1 4 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.966 -0.531 18864 1367 1 4 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.065 -0.096 18864 1368 1 4 . 1 1 20 20 GLN H H 20 8.795 8.795 8.679 0.116 18864 1369 1 4 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.903 0.094 18864 1370 1 4 . 1 1 22 22 GLU N N 22 119.712 119.712 122.646 -2.934 18864 1371 1 4 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.948 0.167 18864 1372 1 4 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.068 -0.946 18864 1373 1 4 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.383 0.333 18864 1374 1 4 . 1 1 22 22 GLU H H 22 6.765 6.765 7.464 -0.699 18864 1375 1 4 . 1 1 23 23 ALA N N 23 124.106 124.106 122.747 1.359 18864 1376 1 4 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.982 -0.214 18864 1377 1 4 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.357 -0.452 18864 1378 1 4 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.513 -0.710 18864 1379 1 4 . 1 1 23 23 ALA H H 23 7.461 7.461 7.853 -0.392 18864 1380 1 4 . 1 1 24 24 LEU N N 24 118.772 118.772 119.106 -0.334 18864 1381 1 4 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.916 0.263 18864 1382 1 4 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.716 0.121 18864 1383 1 4 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.613 -0.409 18864 1384 1 4 . 1 1 24 24 LEU H H 24 7.989 7.989 8.304 -0.315 18864 1385 1 4 . 1 1 25 25 ALA N N 25 121.590 121.590 122.366 -0.776 18864 1386 1 4 . 1 1 25 25 ALA HA H 25 4.196 4.196 4.005 0.191 18864 1387 1 4 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.523 -0.327 18864 1388 1 4 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.134 -0.237 18864 1389 1 4 . 1 1 25 25 ALA H H 25 7.472 7.472 8.563 -1.091 18864 1390 1 4 . 1 1 26 26 VAL N N 26 118.603 118.603 117.078 1.525 18864 1391 1 4 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.652 -0.382 18864 1392 1 4 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.468 1.839 18864 1393 1 4 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.162 1.250 18864 1394 1 4 . 1 1 26 26 VAL H H 26 7.633 7.633 8.226 -0.593 18864 1395 1 4 . 1 1 27 27 GLN N N 27 117.799 117.799 120.981 -3.182 18864 1396 1 4 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.956 0.000 18864 1397 1 4 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.754 0.545 18864 1398 1 4 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.725 1.095 18864 1399 1 4 . 1 1 27 27 GLN H H 27 8.000 8.000 8.290 -0.290 18864 1400 1 4 . 1 1 28 28 GLU N N 28 118.775 118.775 118.608 0.167 18864 1401 1 4 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.052 -0.035 18864 1402 1 4 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.036 0.539 18864 1403 1 4 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.655 -0.045 18864 1404 1 4 . 1 1 28 28 GLU H H 28 8.107 8.107 8.330 -0.223 18864 1405 1 4 . 1 1 29 29 ARG N N 29 121.360 121.360 119.814 1.546 18864 1406 1 4 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.035 0.091 18864 1407 1 4 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.173 0.901 18864 1408 1 4 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.195 1.186 18864 1409 1 4 . 1 1 29 29 ARG H H 29 8.084 8.084 8.120 -0.036 18864 1410 1 4 . 1 1 30 30 LEU N N 30 120.289 120.289 120.215 0.074 18864 1411 1 4 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.227 0.108 18864 1412 1 4 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.078 -0.406 18864 1413 1 4 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.390 0.350 18864 1414 1 4 . 1 1 30 30 LEU H H 30 8.379 8.379 8.726 -0.347 18864 1415 1 4 . 1 1 31 31 LYS N N 31 122.554 122.554 118.174 4.380 18864 1416 1 4 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.146 -0.093 18864 1417 1 4 . 1 1 31 31 LYS CA C 31 59.429 59.429 57.947 1.482 18864 1418 1 4 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.067 1.252 18864 1419 1 4 . 1 1 31 31 LYS H H 31 8.280 8.280 7.669 0.611 18864 1420 1 4 . 1 1 32 32 ALA N N 32 119.271 119.271 120.303 -1.032 18864 1421 1 4 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.430 -0.052 18864 1422 1 4 . 1 1 32 32 ALA CA C 32 52.576 52.576 51.908 0.668 18864 1423 1 4 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.032 -0.211 18864 1424 1 4 . 1 1 32 32 ALA H H 32 7.557 7.557 7.977 -0.420 18864 1425 1 4 . 1 1 33 33 GLY N N 33 105.104 105.104 107.302 -2.198 18864 1426 1 4 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.952 -0.207 18864 1427 1 4 . 1 1 33 33 GLY H H 33 7.758 7.758 8.230 -0.472 18864 1428 1 4 . 1 1 34 34 GLU N N 34 121.024 121.024 120.894 0.130 18864 1429 1 4 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.376 -0.097 18864 1430 1 4 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.874 2.298 18864 1431 1 4 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.831 -0.095 18864 1432 1 4 . 1 1 34 34 GLU H H 34 7.871 7.871 7.539 0.332 18864 1433 1 4 . 1 1 35 35 LYS N N 35 121.214 121.214 121.670 -0.456 18864 1434 1 4 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.283 -0.018 18864 1435 1 4 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.575 -0.258 18864 1436 1 4 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.642 0.420 18864 1437 1 4 . 1 1 35 35 LYS H H 35 8.776 8.776 8.588 0.188 18864 1438 1 4 . 1 1 36 36 PHE N N 36 125.726 125.726 128.059 -2.333 18864 1439 1 4 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.178 -0.535 18864 1440 1 4 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.082 0.748 18864 1441 1 4 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.200 1.095 18864 1442 1 4 . 1 1 36 36 PHE H H 36 8.972 8.972 8.922 0.050 18864 1443 1 4 . 1 1 37 37 GLY N N 37 103.959 103.959 106.504 -2.545 18864 1444 1 4 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.961 0.385 18864 1445 1 4 . 1 1 37 37 GLY H H 37 9.123 9.123 8.650 0.473 18864 1446 1 4 . 1 1 38 38 LYS N N 38 120.432 120.432 122.677 -2.245 18864 1447 1 4 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.025 0.033 18864 1448 1 4 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.182 -0.153 18864 1449 1 4 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.355 0.300 18864 1450 1 4 . 1 1 38 38 LYS H H 38 6.683 6.683 8.062 -1.379 18864 1451 1 4 . 1 1 39 39 LEU N N 39 119.598 119.598 119.351 0.247 18864 1452 1 4 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.068 -0.161 18864 1453 1 4 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.589 0.025 18864 1454 1 4 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.372 1.372 18864 1455 1 4 . 1 1 39 39 LEU H H 39 7.754 7.754 7.953 -0.199 18864 1456 1 4 . 1 1 40 40 ALA N N 40 121.385 121.385 123.221 -1.836 18864 1457 1 4 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.952 -0.180 18864 1458 1 4 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.939 0.936 18864 1459 1 4 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.417 -1.232 18864 1460 1 4 . 1 1 40 40 ALA H H 40 8.437 8.437 8.409 0.028 18864 1461 1 4 . 1 1 41 41 LYS N N 41 116.991 116.991 116.965 0.026 18864 1462 1 4 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.025 -0.103 18864 1463 1 4 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.297 0.462 18864 1464 1 4 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.506 0.105 18864 1465 1 4 . 1 1 41 41 LYS H H 41 7.681 7.681 8.303 -0.622 18864 1466 1 4 . 1 1 42 42 GLU N N 42 117.121 117.121 117.501 -0.380 18864 1467 1 4 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.108 -0.080 18864 1468 1 4 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.576 0.484 18864 1469 1 4 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.157 1.338 18864 1470 1 4 . 1 1 42 42 GLU H H 42 7.796 7.796 7.986 -0.190 18864 1471 1 4 . 1 1 43 43 LEU N N 43 112.754 112.754 117.248 -4.494 18864 1472 1 4 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.388 0.151 18864 1473 1 4 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.582 -0.405 18864 1474 1 4 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.361 1.701 18864 1475 1 4 . 1 1 43 43 LEU H H 43 8.305 8.305 8.087 0.218 18864 1476 1 4 . 1 1 44 44 SER N N 44 110.514 110.514 113.598 -3.084 18864 1477 1 4 . 1 1 44 44 SER HA H 44 4.707 4.707 4.520 0.187 18864 1478 1 4 . 1 1 44 44 SER CA C 44 57.490 57.490 59.849 -2.359 18864 1479 1 4 . 1 1 44 44 SER CB C 44 65.461 65.461 63.489 1.972 18864 1480 1 4 . 1 1 44 44 SER H H 44 8.255 8.255 7.397 0.858 18864 1481 1 4 . 1 1 45 45 ILE N N 45 120.438 120.438 116.049 4.389 18864 1482 1 4 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.263 0.156 18864 1483 1 4 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.558 1.301 18864 1484 1 4 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.171 -1.042 18864 1485 1 4 . 1 1 45 45 ILE H H 45 9.238 9.238 8.656 0.582 18864 1486 1 4 . 1 1 46 46 ASP N N 46 120.068 120.068 122.622 -2.554 18864 1487 1 4 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.681 -0.303 18864 1488 1 4 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.998 -0.246 18864 1489 1 4 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.958 -0.542 18864 1490 1 4 . 1 1 46 46 ASP H H 46 7.488 7.488 7.653 -0.165 18864 1491 1 4 . 1 1 47 47 GLY N N 47 114.910 114.910 113.367 1.543 18864 1492 1 4 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.019 0.299 18864 1493 1 4 . 1 1 47 47 GLY H H 47 8.562 8.562 8.046 0.516 18864 1494 1 4 . 1 1 48 48 GLY N N 48 106.725 106.725 110.049 -3.324 18864 1495 1 4 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.051 -0.425 18864 1496 1 4 . 1 1 48 48 GLY H H 48 8.328 8.328 8.154 0.174 18864 1497 1 4 . 1 1 49 49 SER N N 49 110.646 110.646 118.277 -7.631 18864 1498 1 4 . 1 1 49 49 SER HA H 49 4.560 4.560 4.362 0.198 18864 1499 1 4 . 1 1 49 49 SER CA C 49 59.559 59.559 61.666 -2.107 18864 1500 1 4 . 1 1 49 49 SER CB C 49 65.469 65.469 63.005 2.464 18864 1501 1 4 . 1 1 49 49 SER H H 49 7.255 7.255 8.913 -1.658 18864 1502 1 4 . 1 1 50 50 ALA N N 50 130.821 130.821 125.853 4.968 18864 1503 1 4 . 1 1 50 50 ALA HA H 50 3.826 3.826 3.978 -0.152 18864 1504 1 4 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.102 1.768 18864 1505 1 4 . 1 1 50 50 ALA CB C 50 19.385 19.385 17.977 1.408 18864 1506 1 4 . 1 1 50 50 ALA H H 50 8.571 8.571 8.324 0.247 18864 1507 1 4 . 1 1 51 51 LYS N N 51 110.700 110.700 118.247 -7.547 18864 1508 1 4 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.047 0.190 18864 1509 1 4 . 1 1 51 51 LYS CA C 51 57.587 57.587 59.243 -1.657 18864 1510 1 4 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.371 -0.253 18864 1511 1 4 . 1 1 51 51 LYS H H 51 7.761 7.761 8.386 -0.625 18864 1512 1 4 . 1 1 52 52 ARG N N 52 120.280 120.280 117.356 2.924 18864 1513 1 4 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.458 0.329 18864 1514 1 4 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.488 -1.286 18864 1515 1 4 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.236 -0.732 18864 1516 1 4 . 1 1 52 52 ARG H H 52 7.650 7.650 7.404 0.246 18864 1517 1 4 . 1 1 53 53 ASP N N 53 117.809 117.809 118.233 -0.424 18864 1518 1 4 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.353 0.048 18864 1519 1 4 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.572 0.775 18864 1520 1 4 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.346 -0.724 18864 1521 1 4 . 1 1 53 53 ASP H H 53 8.157 8.157 7.898 0.259 18864 1522 1 4 . 1 1 54 54 GLY N N 54 104.041 104.041 104.482 -0.441 18864 1523 1 4 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.206 -0.578 18864 1524 1 4 . 1 1 54 54 GLY H H 54 8.279 8.279 9.096 -0.817 18864 1525 1 4 . 1 1 55 55 SER N N 55 113.436 113.436 118.892 -5.456 18864 1526 1 4 . 1 1 55 55 SER HA H 55 4.578 4.578 4.280 0.298 18864 1527 1 4 . 1 1 55 55 SER CA C 55 59.851 59.851 58.912 0.939 18864 1528 1 4 . 1 1 55 55 SER CB C 55 64.102 64.102 62.318 1.784 18864 1529 1 4 . 1 1 55 55 SER H H 55 7.524 7.524 7.801 -0.277 18864 1530 1 4 . 1 1 56 56 LEU N N 56 126.328 126.328 123.960 2.368 18864 1531 1 4 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.033 0.458 18864 1532 1 4 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.590 -2.453 18864 1533 1 4 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.213 1.047 18864 1534 1 4 . 1 1 56 56 LEU H H 56 8.818 8.818 8.297 0.521 18864 1535 1 4 . 1 1 57 57 GLY N N 57 107.077 107.077 104.164 2.913 18864 1536 1 4 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.557 0.638 18864 1537 1 4 . 1 1 57 57 GLY H H 57 8.072 8.072 8.089 -0.017 18864 1538 1 4 . 1 1 58 58 TYR N N 58 115.734 115.734 119.538 -3.804 18864 1539 1 4 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.946 0.245 18864 1540 1 4 . 1 1 58 58 TYR CA C 58 57.850 57.850 55.285 2.564 18864 1541 1 4 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.235 2.439 18864 1542 1 4 . 1 1 58 58 TYR H H 58 8.348 8.348 7.221 1.127 18864 1543 1 4 . 1 1 59 59 PHE N N 59 118.174 118.174 119.526 -1.352 18864 1544 1 4 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.965 0.072 18864 1545 1 4 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.169 0.146 18864 1546 1 4 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.823 -0.233 18864 1547 1 4 . 1 1 59 59 PHE H H 59 9.136 9.136 8.126 1.010 18864 1548 1 4 . 1 1 60 60 GLY N N 60 106.839 106.839 108.632 -1.793 18864 1549 1 4 . 1 1 60 60 GLY CA C 60 43.161 43.161 44.425 -1.264 18864 1550 1 4 . 1 1 60 60 GLY H H 60 8.594 8.594 8.830 -0.236 18864 1551 1 4 . 1 1 61 61 ARG N N 61 119.161 119.161 122.670 -3.509 18864 1552 1 4 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.338 -0.335 18864 1553 1 4 . 1 1 61 61 ARG CA C 61 57.419 57.419 55.394 2.025 18864 1554 1 4 . 1 1 61 61 ARG CB C 61 30.298 30.298 29.870 0.428 18864 1555 1 4 . 1 1 61 61 ARG H H 61 8.833 8.833 8.460 0.373 18864 1556 1 4 . 1 1 62 62 GLY N N 62 112.714 112.714 112.748 -0.034 18864 1557 1 4 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.193 0.308 18864 1558 1 4 . 1 1 62 62 GLY H H 62 10.418 10.418 8.861 1.557 18864 1559 1 4 . 1 1 63 63 LYS N N 63 120.687 120.687 121.745 -1.058 18864 1560 1 4 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.118 0.268 18864 1561 1 4 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.927 -0.807 18864 1562 1 4 . 1 1 63 63 LYS CB C 63 34.862 34.862 33.047 1.815 18864 1563 1 4 . 1 1 63 63 LYS H H 63 7.706 7.706 7.873 -0.167 18864 1564 1 4 . 1 1 64 64 MET N N 64 117.704 117.704 117.106 0.598 18864 1565 1 4 . 1 1 64 64 MET HA H 64 4.608 4.608 4.496 0.112 18864 1566 1 4 . 1 1 64 64 MET CA C 64 51.959 51.959 53.579 -1.620 18864 1567 1 4 . 1 1 64 64 MET CB C 64 33.012 33.012 36.105 -3.093 18864 1568 1 4 . 1 1 64 64 MET H H 64 9.046 9.046 8.933 0.113 18864 1569 1 4 . 1 1 65 65 VAL N N 65 113.540 113.540 119.122 -5.582 18864 1570 1 4 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.791 0.422 18864 1571 1 4 . 1 1 65 65 VAL CA C 65 62.340 62.340 63.227 -0.887 18864 1572 1 4 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.030 0.771 18864 1573 1 4 . 1 1 65 65 VAL H H 65 8.043 8.043 8.305 -0.262 18864 1574 1 4 . 1 1 66 66 LYS N N 66 124.592 124.592 126.497 -1.905 18864 1575 1 4 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.098 0.105 18864 1576 1 4 . 1 1 66 66 LYS CA C 66 61.422 61.422 60.394 1.028 18864 1577 1 4 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.579 0.854 18864 1578 1 4 . 1 1 66 66 LYS H H 66 8.877 8.877 8.800 0.077 18864 1579 1 4 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.272 0.179 18864 1580 1 4 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.656 0.394 18864 1581 1 4 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.195 0.056 18864 1582 1 4 . 1 1 68 68 PHE N N 68 115.149 115.149 120.147 -4.998 18864 1583 1 4 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.982 -0.295 18864 1584 1 4 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.810 -1.054 18864 1585 1 4 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.970 1.212 18864 1586 1 4 . 1 1 68 68 PHE H H 68 6.997 6.997 7.894 -0.897 18864 1587 1 4 . 1 1 69 69 GLU N N 69 119.933 119.933 119.223 0.710 18864 1588 1 4 . 1 1 69 69 GLU HA H 69 3.996 3.996 3.992 0.004 18864 1589 1 4 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.064 0.900 18864 1590 1 4 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.666 1.259 18864 1591 1 4 . 1 1 69 69 GLU H H 69 8.562 8.562 8.177 0.385 18864 1592 1 4 . 1 1 70 70 ASP N N 70 116.956 116.956 120.305 -3.349 18864 1593 1 4 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.542 -0.157 18864 1594 1 4 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.472 -0.299 18864 1595 1 4 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.821 -0.633 18864 1596 1 4 . 1 1 70 70 ASP H H 70 9.074 9.074 8.701 0.373 18864 1597 1 4 . 1 1 71 71 ALA N N 71 117.745 117.745 121.057 -3.312 18864 1598 1 4 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.099 0.073 18864 1599 1 4 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.800 -0.485 18864 1600 1 4 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.279 2.223 18864 1601 1 4 . 1 1 71 71 ALA H H 71 6.888 6.888 7.982 -1.094 18864 1602 1 4 . 1 1 72 72 ALA N N 72 120.783 120.783 121.560 -0.777 18864 1603 1 4 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.814 -0.068 18864 1604 1 4 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.588 0.805 18864 1605 1 4 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.413 0.671 18864 1606 1 4 . 1 1 72 72 ALA H H 72 8.860 8.860 7.765 1.095 18864 1607 1 4 . 1 1 73 73 PHE N N 73 110.353 110.353 117.722 -7.369 18864 1608 1 4 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.207 -0.186 18864 1609 1 4 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.779 -0.212 18864 1610 1 4 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.516 -0.188 18864 1611 1 4 . 1 1 73 73 PHE H H 73 8.275 8.275 8.231 0.044 18864 1612 1 4 . 1 1 74 74 ARG N N 74 116.189 116.189 117.955 -1.766 18864 1613 1 4 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.135 0.339 18864 1614 1 4 . 1 1 74 74 ARG CA C 74 56.367 56.367 58.144 -1.777 18864 1615 1 4 . 1 1 74 74 ARG CB C 74 31.700 31.700 29.593 2.107 18864 1616 1 4 . 1 1 74 74 ARG H H 74 7.047 7.047 7.702 -0.655 18864 1617 1 4 . 1 1 75 75 LEU N N 75 119.425 119.425 118.051 1.374 18864 1618 1 4 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.501 -0.222 18864 1619 1 4 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.341 0.660 18864 1620 1 4 . 1 1 75 75 LEU CB C 75 43.145 43.145 41.233 1.913 18864 1621 1 4 . 1 1 75 75 LEU H H 75 7.033 7.033 7.354 -0.322 18864 1622 1 4 . 1 1 76 76 GLN N N 76 121.205 121.205 118.810 2.395 18864 1623 1 4 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.962 0.445 18864 1624 1 4 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.276 -3.817 18864 1625 1 4 . 1 1 76 76 GLN CB C 76 29.620 29.620 27.881 1.739 18864 1626 1 4 . 1 1 76 76 GLN H H 76 9.087 9.087 7.651 1.436 18864 1627 1 4 . 1 1 77 77 VAL N N 77 121.809 121.809 116.805 5.004 18864 1628 1 4 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.938 0.465 18864 1629 1 4 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.348 4.235 18864 1630 1 4 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.226 -3.610 18864 1631 1 4 . 1 1 77 77 VAL H H 77 8.901 8.901 7.679 1.222 18864 1632 1 4 . 1 1 78 78 GLY N N 78 117.559 117.559 107.662 9.897 18864 1633 1 4 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.416 0.717 18864 1634 1 4 . 1 1 78 78 GLY H H 78 9.049 9.049 8.245 0.804 18864 1635 1 4 . 1 1 79 79 GLU N N 79 122.304 122.304 119.041 3.263 18864 1636 1 4 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.871 -0.604 18864 1637 1 4 . 1 1 79 79 GLU CA C 79 56.547 56.547 54.240 2.307 18864 1638 1 4 . 1 1 79 79 GLU CB C 79 32.290 32.290 34.154 -1.864 18864 1639 1 4 . 1 1 79 79 GLU H H 79 8.093 8.093 7.728 0.365 18864 1640 1 4 . 1 1 80 80 VAL N N 80 122.253 122.253 120.673 1.580 18864 1641 1 4 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.590 0.456 18864 1642 1 4 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.272 -0.950 18864 1643 1 4 . 1 1 80 80 VAL CB C 80 33.557 33.557 33.721 -0.164 18864 1644 1 4 . 1 1 80 80 VAL H H 80 8.133 8.133 8.468 -0.335 18864 1645 1 4 . 1 1 81 81 SER N N 81 125.484 125.484 123.314 2.170 18864 1646 1 4 . 1 1 81 81 SER HA H 81 4.346 4.346 4.472 -0.126 18864 1647 1 4 . 1 1 81 81 SER CA C 81 59.316 59.316 57.894 1.422 18864 1648 1 4 . 1 1 81 81 SER CB C 81 65.988 65.988 63.841 2.147 18864 1649 1 4 . 1 1 81 81 SER H H 81 9.927 9.927 9.086 0.841 18864 1650 1 4 . 1 1 82 82 GLU N N 82 116.381 116.381 120.815 -4.434 18864 1651 1 4 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.425 0.198 18864 1652 1 4 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.294 0.357 18864 1653 1 4 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.891 -0.561 18864 1654 1 4 . 1 1 82 82 GLU H H 82 7.986 7.986 8.615 -0.629 18864 1655 1 4 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.556 0.177 18864 1656 1 4 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.557 0.125 18864 1657 1 4 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.928 -0.486 18864 1658 1 4 . 1 1 84 84 VAL N N 84 127.594 127.594 126.633 0.961 18864 1659 1 4 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.353 0.008 18864 1660 1 4 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.644 0.607 18864 1661 1 4 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.953 0.658 18864 1662 1 4 . 1 1 84 84 VAL H H 84 9.630 9.630 9.202 0.428 18864 1663 1 4 . 1 1 85 85 LYS N N 85 130.184 130.184 129.583 0.601 18864 1664 1 4 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.390 -0.110 18864 1665 1 4 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.362 0.799 18864 1666 1 4 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.116 0.568 18864 1667 1 4 . 1 1 85 85 LYS H H 85 8.827 8.827 8.685 0.142 18864 1668 1 4 . 1 1 86 86 SER N N 86 125.071 125.071 122.734 2.337 18864 1669 1 4 . 1 1 86 86 SER HA H 86 4.925 4.925 4.747 0.178 18864 1670 1 4 . 1 1 86 86 SER CA C 86 56.939 56.939 56.438 0.501 18864 1671 1 4 . 1 1 86 86 SER CB C 86 67.836 67.836 66.036 1.800 18864 1672 1 4 . 1 1 86 86 SER H H 86 9.594 9.594 8.977 0.617 18864 1673 1 4 . 1 1 87 87 GLU N N 87 118.510 118.510 119.436 -0.926 18864 1674 1 4 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.168 -0.048 18864 1675 1 4 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.411 -0.326 18864 1676 1 4 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.247 0.133 18864 1677 1 4 . 1 1 87 87 GLU H H 87 9.615 9.615 8.724 0.891 18864 1678 1 4 . 1 1 88 88 PHE N N 88 118.385 118.385 118.376 0.009 18864 1679 1 4 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.440 0.099 18864 1680 1 4 . 1 1 88 88 PHE CA C 88 58.501 58.501 58.229 0.272 18864 1681 1 4 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.269 0.890 18864 1682 1 4 . 1 1 88 88 PHE H H 88 8.817 8.817 7.881 0.936 18864 1683 1 4 . 1 1 89 89 GLY N N 89 107.269 107.269 103.934 3.335 18864 1684 1 4 . 1 1 89 89 GLY CA C 89 45.088 45.088 45.055 0.033 18864 1685 1 4 . 1 1 89 89 GLY H H 89 7.405 7.405 8.139 -0.734 18864 1686 1 4 . 1 1 90 90 TYR N N 90 119.181 119.181 121.819 -2.638 18864 1687 1 4 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.456 -0.376 18864 1688 1 4 . 1 1 90 90 TYR CA C 90 57.336 57.336 58.075 -0.739 18864 1689 1 4 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.238 1.591 18864 1690 1 4 . 1 1 90 90 TYR H H 90 9.119 9.119 7.964 1.155 18864 1691 1 4 . 1 1 91 91 HIS N N 91 120.399 120.399 122.598 -2.199 18864 1692 1 4 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.681 -0.124 18864 1693 1 4 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.455 -0.009 18864 1694 1 4 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.369 -2.072 18864 1695 1 4 . 1 1 91 91 HIS H H 91 9.879 9.879 9.732 0.147 18864 1696 1 4 . 1 1 92 92 VAL N N 92 122.606 122.606 122.541 0.065 18864 1697 1 4 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.431 -0.444 18864 1698 1 4 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.231 2.697 18864 1699 1 4 . 1 1 92 92 VAL CB C 92 33.222 33.222 32.416 0.806 18864 1700 1 4 . 1 1 92 92 VAL H H 92 9.102 9.102 9.270 -0.168 18864 1701 1 4 . 1 1 93 93 ILE N N 93 128.087 128.087 128.084 0.003 18864 1702 1 4 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.131 -0.352 18864 1703 1 4 . 1 1 93 93 ILE CA C 93 60.936 60.936 60.024 0.912 18864 1704 1 4 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.249 1.523 18864 1705 1 4 . 1 1 93 93 ILE H H 93 8.623 8.623 9.557 -0.934 18864 1706 1 4 . 1 1 94 94 LYS N N 94 125.877 125.877 128.147 -2.270 18864 1707 1 4 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.154 0.157 18864 1708 1 4 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.595 0.638 18864 1709 1 4 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.467 0.021 18864 1710 1 4 . 1 1 94 94 LYS H H 94 8.881 8.881 9.231 -0.350 18864 1711 1 4 . 1 1 95 95 ARG N N 95 126.274 126.274 125.112 1.162 18864 1712 1 4 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.358 0.665 18864 1713 1 4 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.584 -0.570 18864 1714 1 4 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.256 -1.499 18864 1715 1 4 . 1 1 95 95 ARG H H 95 7.955 7.955 8.105 -0.150 18864 1716 1 4 . 1 1 96 96 LEU N N 96 129.551 129.551 127.720 1.831 18864 1717 1 4 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.594 -0.007 18864 1718 1 4 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.118 1.403 18864 1719 1 4 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.858 -0.475 18864 1720 1 4 . 1 1 96 96 LEU H H 96 9.017 9.017 8.840 0.177 18864 1721 1 5 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.464 0.006 18864 1722 1 5 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.607 0.639 18864 1723 1 5 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.477 -0.089 18864 1724 1 5 . 1 1 3 3 MET HA H 3 4.476 4.476 4.119 0.357 18864 1725 1 5 . 1 1 3 3 MET CA C 3 56.002 56.002 56.626 -0.624 18864 1726 1 5 . 1 1 3 3 MET CB C 3 32.025 32.025 33.010 -0.984 18864 1727 1 5 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.716 0.717 18864 1728 1 5 . 1 1 5 5 SER HA H 5 4.427 4.427 4.864 -0.437 18864 1729 1 5 . 1 1 5 5 SER CA C 5 58.631 58.631 56.131 2.500 18864 1730 1 5 . 1 1 5 5 SER CB C 5 64.117 64.117 66.109 -1.992 18864 1731 1 5 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.214 0.211 18864 1732 1 5 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.380 -1.735 18864 1733 1 5 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.538 1.078 18864 1734 1 5 . 1 1 8 8 ASP N N 8 119.103 119.103 116.493 2.610 18864 1735 1 5 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.469 0.152 18864 1736 1 5 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.635 -0.465 18864 1737 1 5 . 1 1 8 8 ASP CB C 8 41.375 41.375 40.646 0.729 18864 1738 1 5 . 1 1 8 8 ASP H H 8 8.353 8.353 7.897 0.456 18864 1739 1 5 . 1 1 9 9 LYS N N 9 117.781 117.781 118.429 -0.648 18864 1740 1 5 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.319 0.647 18864 1741 1 5 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.192 0.175 18864 1742 1 5 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.353 2.727 18864 1743 1 5 . 1 1 9 9 LYS H H 9 7.858 7.858 7.152 0.706 18864 1744 1 5 . 1 1 10 10 ILE N N 10 114.675 114.675 121.155 -6.480 18864 1745 1 5 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.953 0.561 18864 1746 1 5 . 1 1 10 10 ILE CA C 10 59.560 59.560 58.070 1.490 18864 1747 1 5 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.941 4.454 18864 1748 1 5 . 1 1 10 10 ILE H H 10 8.254 8.254 8.449 -0.195 18864 1749 1 5 . 1 1 11 11 LYS N N 11 121.626 121.626 127.948 -6.322 18864 1750 1 5 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.490 0.301 18864 1751 1 5 . 1 1 11 11 LYS CA C 11 53.911 53.911 55.906 -1.995 18864 1752 1 5 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.768 1.835 18864 1753 1 5 . 1 1 11 11 LYS H H 11 7.974 7.974 8.576 -0.602 18864 1754 1 5 . 1 1 12 12 CYS N N 12 118.054 118.054 123.811 -5.757 18864 1755 1 5 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.323 0.315 18864 1756 1 5 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.015 0.643 18864 1757 1 5 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.181 2.444 18864 1758 1 5 . 1 1 12 12 CYS H H 12 7.256 7.256 9.303 -2.047 18864 1759 1 5 . 1 1 13 13 SER N N 13 117.042 117.042 116.565 0.477 18864 1760 1 5 . 1 1 13 13 SER HA H 13 5.625 5.625 5.593 0.032 18864 1761 1 5 . 1 1 13 13 SER CA C 13 56.017 56.017 57.349 -1.332 18864 1762 1 5 . 1 1 13 13 SER CB C 13 66.920 66.920 65.607 1.313 18864 1763 1 5 . 1 1 13 13 SER H H 13 9.186 9.186 9.084 0.102 18864 1764 1 5 . 1 1 14 14 HIS N N 14 119.162 119.162 121.292 -2.130 18864 1765 1 5 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.140 0.270 18864 1766 1 5 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.920 0.674 18864 1767 1 5 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.064 3.559 18864 1768 1 5 . 1 1 14 14 HIS H H 14 9.902 9.902 9.584 0.318 18864 1769 1 5 . 1 1 15 15 ILE N N 15 121.809 121.809 121.162 0.647 18864 1770 1 5 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.073 -0.636 18864 1771 1 5 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.853 2.023 18864 1772 1 5 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.415 0.378 18864 1773 1 5 . 1 1 15 15 ILE H H 15 8.913 8.913 9.246 -0.333 18864 1774 1 5 . 1 1 16 16 LEU N N 16 129.008 129.008 129.736 -0.728 18864 1775 1 5 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.082 -0.064 18864 1776 1 5 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.398 -0.735 18864 1777 1 5 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.555 1.461 18864 1778 1 5 . 1 1 16 16 LEU H H 16 7.632 7.632 8.354 -0.722 18864 1779 1 5 . 1 1 17 17 VAL N N 17 117.991 117.991 121.518 -3.527 18864 1780 1 5 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.693 0.266 18864 1781 1 5 . 1 1 17 17 VAL CA C 17 58.841 58.841 60.066 -1.225 18864 1782 1 5 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.147 -0.358 18864 1783 1 5 . 1 1 17 17 VAL H H 17 9.025 9.025 9.148 -0.123 18864 1784 1 5 . 1 1 18 18 LYS N N 18 119.296 119.296 121.561 -2.265 18864 1785 1 5 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.185 0.216 18864 1786 1 5 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.154 0.219 18864 1787 1 5 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.943 1.367 18864 1788 1 5 . 1 1 18 18 LYS H H 18 8.781 8.781 9.208 -0.427 18864 1789 1 5 . 1 1 19 19 LYS N N 19 114.107 114.107 116.856 -2.749 18864 1790 1 5 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.590 0.245 18864 1791 1 5 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.839 -0.114 18864 1792 1 5 . 1 1 19 19 LYS CB C 19 35.804 35.804 35.163 0.641 18864 1793 1 5 . 1 1 19 19 LYS H H 19 8.023 8.023 7.590 0.433 18864 1794 1 5 . 1 1 20 20 GLN N N 20 125.662 125.662 120.958 4.704 18864 1795 1 5 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.588 1.266 18864 1796 1 5 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.393 0.042 18864 1797 1 5 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.297 -0.328 18864 1798 1 5 . 1 1 20 20 GLN H H 20 8.795 8.795 8.803 -0.009 18864 1799 1 5 . 1 1 21 21 GLY CA C 21 46.997 46.997 47.101 -0.104 18864 1800 1 5 . 1 1 22 22 GLU N N 22 119.712 119.712 122.520 -2.808 18864 1801 1 5 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.971 0.144 18864 1802 1 5 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.094 -0.972 18864 1803 1 5 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.379 0.337 18864 1804 1 5 . 1 1 22 22 GLU H H 22 6.765 6.765 7.422 -0.657 18864 1805 1 5 . 1 1 23 23 ALA N N 23 124.106 124.106 123.385 0.721 18864 1806 1 5 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.949 -0.181 18864 1807 1 5 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.485 -0.580 18864 1808 1 5 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.363 -0.560 18864 1809 1 5 . 1 1 23 23 ALA H H 23 7.461 7.461 8.020 -0.559 18864 1810 1 5 . 1 1 24 24 LEU N N 24 118.772 118.772 119.498 -0.726 18864 1811 1 5 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.428 -0.249 18864 1812 1 5 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.732 0.105 18864 1813 1 5 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.859 0.345 18864 1814 1 5 . 1 1 24 24 LEU H H 24 7.989 7.989 8.651 -0.662 18864 1815 1 5 . 1 1 25 25 ALA N N 25 121.590 121.590 122.823 -1.233 18864 1816 1 5 . 1 1 25 25 ALA HA H 25 4.196 4.196 4.054 0.142 18864 1817 1 5 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.024 0.172 18864 1818 1 5 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.657 -0.760 18864 1819 1 5 . 1 1 25 25 ALA H H 25 7.472 7.472 8.426 -0.954 18864 1820 1 5 . 1 1 26 26 VAL N N 26 118.603 118.603 115.909 2.694 18864 1821 1 5 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.473 -0.203 18864 1822 1 5 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.384 0.923 18864 1823 1 5 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.805 0.607 18864 1824 1 5 . 1 1 26 26 VAL H H 26 7.633 7.633 8.526 -0.893 18864 1825 1 5 . 1 1 27 27 GLN N N 27 117.799 117.799 120.564 -2.765 18864 1826 1 5 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.982 -0.026 18864 1827 1 5 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.634 0.665 18864 1828 1 5 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.334 1.486 18864 1829 1 5 . 1 1 27 27 GLN H H 27 8.000 8.000 8.455 -0.455 18864 1830 1 5 . 1 1 28 28 GLU N N 28 118.775 118.775 120.477 -1.702 18864 1831 1 5 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.034 -0.017 18864 1832 1 5 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.165 0.410 18864 1833 1 5 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.420 0.190 18864 1834 1 5 . 1 1 28 28 GLU H H 28 8.107 8.107 8.274 -0.167 18864 1835 1 5 . 1 1 29 29 ARG N N 29 121.360 121.360 120.744 0.616 18864 1836 1 5 . 1 1 29 29 ARG HA H 29 4.126 4.126 3.992 0.134 18864 1837 1 5 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.365 0.709 18864 1838 1 5 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.070 1.310 18864 1839 1 5 . 1 1 29 29 ARG H H 29 8.084 8.084 8.268 -0.184 18864 1840 1 5 . 1 1 30 30 LEU N N 30 120.289 120.289 119.062 1.227 18864 1841 1 5 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.210 0.125 18864 1842 1 5 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.764 -0.092 18864 1843 1 5 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.105 0.635 18864 1844 1 5 . 1 1 30 30 LEU H H 30 8.379 8.379 8.729 -0.350 18864 1845 1 5 . 1 1 31 31 LYS N N 31 122.554 122.554 118.109 4.445 18864 1846 1 5 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.064 -0.011 18864 1847 1 5 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.222 1.207 18864 1848 1 5 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.313 1.006 18864 1849 1 5 . 1 1 31 31 LYS H H 31 8.280 8.280 7.557 0.723 18864 1850 1 5 . 1 1 32 32 ALA N N 32 119.271 119.271 119.002 0.269 18864 1851 1 5 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.182 0.196 18864 1852 1 5 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.069 -0.493 18864 1853 1 5 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.186 -0.365 18864 1854 1 5 . 1 1 32 32 ALA H H 32 7.557 7.557 7.588 -0.031 18864 1855 1 5 . 1 1 33 33 GLY N N 33 105.104 105.104 104.944 0.160 18864 1856 1 5 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.517 0.228 18864 1857 1 5 . 1 1 33 33 GLY H H 33 7.758 7.758 7.815 -0.057 18864 1858 1 5 . 1 1 34 34 GLU N N 34 121.024 121.024 120.755 0.269 18864 1859 1 5 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.389 -0.110 18864 1860 1 5 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.815 2.357 18864 1861 1 5 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.774 -0.038 18864 1862 1 5 . 1 1 34 34 GLU H H 34 7.871 7.871 7.663 0.208 18864 1863 1 5 . 1 1 35 35 LYS N N 35 121.214 121.214 122.067 -0.853 18864 1864 1 5 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.298 -0.033 18864 1865 1 5 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.656 -0.339 18864 1866 1 5 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.245 -0.183 18864 1867 1 5 . 1 1 35 35 LYS H H 35 8.776 8.776 8.581 0.195 18864 1868 1 5 . 1 1 36 36 PHE N N 36 125.726 125.726 126.872 -1.146 18864 1869 1 5 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.198 -0.555 18864 1870 1 5 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.819 1.011 18864 1871 1 5 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.026 1.269 18864 1872 1 5 . 1 1 36 36 PHE H H 36 8.972 8.972 8.954 0.018 18864 1873 1 5 . 1 1 37 37 GLY N N 37 103.959 103.959 105.677 -1.718 18864 1874 1 5 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.059 0.285 18864 1875 1 5 . 1 1 37 37 GLY H H 37 9.123 9.123 8.764 0.359 18864 1876 1 5 . 1 1 38 38 LYS N N 38 120.432 120.432 121.185 -0.753 18864 1877 1 5 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.006 0.052 18864 1878 1 5 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.224 -0.195 18864 1879 1 5 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.229 0.426 18864 1880 1 5 . 1 1 38 38 LYS H H 38 6.683 6.683 7.689 -1.006 18864 1881 1 5 . 1 1 39 39 LEU N N 39 119.598 119.598 119.095 0.503 18864 1882 1 5 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.941 -0.034 18864 1883 1 5 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.970 -0.356 18864 1884 1 5 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.987 0.756 18864 1885 1 5 . 1 1 39 39 LEU H H 39 7.754 7.754 8.100 -0.346 18864 1886 1 5 . 1 1 40 40 ALA N N 40 121.385 121.385 123.058 -1.673 18864 1887 1 5 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.967 -0.195 18864 1888 1 5 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.833 1.042 18864 1889 1 5 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.398 -1.213 18864 1890 1 5 . 1 1 40 40 ALA H H 40 8.437 8.437 8.348 0.089 18864 1891 1 5 . 1 1 41 41 LYS N N 41 116.991 116.991 116.986 0.005 18864 1892 1 5 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.026 -0.104 18864 1893 1 5 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.328 0.431 18864 1894 1 5 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.481 0.130 18864 1895 1 5 . 1 1 41 41 LYS H H 41 7.681 7.681 8.319 -0.638 18864 1896 1 5 . 1 1 42 42 GLU N N 42 117.121 117.121 117.156 -0.035 18864 1897 1 5 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.155 -0.127 18864 1898 1 5 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.489 0.571 18864 1899 1 5 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.366 1.129 18864 1900 1 5 . 1 1 42 42 GLU H H 42 7.796 7.796 8.058 -0.262 18864 1901 1 5 . 1 1 43 43 LEU N N 43 112.754 112.754 117.022 -4.268 18864 1902 1 5 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.589 -0.050 18864 1903 1 5 . 1 1 43 43 LEU CA C 43 55.177 55.177 54.907 0.270 18864 1904 1 5 . 1 1 43 43 LEU CB C 43 45.062 45.062 44.212 0.851 18864 1905 1 5 . 1 1 43 43 LEU H H 43 8.305 8.305 8.295 0.010 18864 1906 1 5 . 1 1 44 44 SER N N 44 110.514 110.514 115.149 -4.635 18864 1907 1 5 . 1 1 44 44 SER HA H 44 4.707 4.707 4.518 0.189 18864 1908 1 5 . 1 1 44 44 SER CA C 44 57.490 57.490 59.821 -2.331 18864 1909 1 5 . 1 1 44 44 SER CB C 44 65.461 65.461 63.514 1.947 18864 1910 1 5 . 1 1 44 44 SER H H 44 8.255 8.255 7.503 0.752 18864 1911 1 5 . 1 1 45 45 ILE N N 45 120.438 120.438 115.849 4.589 18864 1912 1 5 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.229 0.190 18864 1913 1 5 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.492 1.367 18864 1914 1 5 . 1 1 45 45 ILE CB C 45 37.129 37.129 37.988 -0.859 18864 1915 1 5 . 1 1 45 45 ILE H H 45 9.238 9.238 8.357 0.881 18864 1916 1 5 . 1 1 46 46 ASP N N 46 120.068 120.068 121.721 -1.653 18864 1917 1 5 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.665 -0.287 18864 1918 1 5 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.253 -0.501 18864 1919 1 5 . 1 1 46 46 ASP CB C 46 40.416 40.416 42.106 -1.690 18864 1920 1 5 . 1 1 46 46 ASP H H 46 7.488 7.488 7.569 -0.081 18864 1921 1 5 . 1 1 47 47 GLY N N 47 114.910 114.910 113.812 1.098 18864 1922 1 5 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.877 0.441 18864 1923 1 5 . 1 1 47 47 GLY H H 47 8.562 8.562 8.492 0.070 18864 1924 1 5 . 1 1 48 48 GLY N N 48 106.725 106.725 109.679 -2.954 18864 1925 1 5 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.182 -0.556 18864 1926 1 5 . 1 1 48 48 GLY H H 48 8.328 8.328 8.359 -0.031 18864 1927 1 5 . 1 1 49 49 SER N N 49 110.646 110.646 118.563 -7.917 18864 1928 1 5 . 1 1 49 49 SER HA H 49 4.560 4.560 4.210 0.350 18864 1929 1 5 . 1 1 49 49 SER CA C 49 59.559 59.559 62.134 -2.575 18864 1930 1 5 . 1 1 49 49 SER CB C 49 65.469 65.469 63.029 2.439 18864 1931 1 5 . 1 1 49 49 SER H H 49 7.255 7.255 9.259 -2.004 18864 1932 1 5 . 1 1 50 50 ALA N N 50 130.821 130.821 125.575 5.246 18864 1933 1 5 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.044 -0.218 18864 1934 1 5 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.830 2.040 18864 1935 1 5 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.088 1.297 18864 1936 1 5 . 1 1 50 50 ALA H H 50 8.571 8.571 7.733 0.838 18864 1937 1 5 . 1 1 51 51 LYS N N 51 110.700 110.700 118.102 -7.402 18864 1938 1 5 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.059 0.178 18864 1939 1 5 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.427 -0.840 18864 1940 1 5 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.394 -0.276 18864 1941 1 5 . 1 1 51 51 LYS H H 51 7.761 7.761 8.349 -0.588 18864 1942 1 5 . 1 1 52 52 ARG N N 52 120.280 120.280 117.281 2.999 18864 1943 1 5 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.541 0.246 18864 1944 1 5 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.214 -1.012 18864 1945 1 5 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.552 -1.048 18864 1946 1 5 . 1 1 52 52 ARG H H 52 7.650 7.650 7.568 0.082 18864 1947 1 5 . 1 1 53 53 ASP N N 53 117.809 117.809 118.701 -0.892 18864 1948 1 5 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.371 0.030 18864 1949 1 5 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.872 0.475 18864 1950 1 5 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.426 -0.804 18864 1951 1 5 . 1 1 53 53 ASP H H 53 8.157 8.157 8.319 -0.162 18864 1952 1 5 . 1 1 54 54 GLY N N 54 104.041 104.041 105.963 -1.922 18864 1953 1 5 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.315 -0.687 18864 1954 1 5 . 1 1 54 54 GLY H H 54 8.279 8.279 9.066 -0.787 18864 1955 1 5 . 1 1 55 55 SER N N 55 113.436 113.436 119.309 -5.873 18864 1956 1 5 . 1 1 55 55 SER HA H 55 4.578 4.578 4.418 0.160 18864 1957 1 5 . 1 1 55 55 SER CA C 55 59.851 59.851 59.415 0.436 18864 1958 1 5 . 1 1 55 55 SER CB C 55 64.102 64.102 62.386 1.716 18864 1959 1 5 . 1 1 55 55 SER H H 55 7.524 7.524 7.756 -0.232 18864 1960 1 5 . 1 1 56 56 LEU N N 56 126.328 126.328 125.096 1.232 18864 1961 1 5 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.095 0.396 18864 1962 1 5 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.440 -2.302 18864 1963 1 5 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.159 1.101 18864 1964 1 5 . 1 1 56 56 LEU H H 56 8.818 8.818 8.109 0.709 18864 1965 1 5 . 1 1 57 57 GLY N N 57 107.077 107.077 103.601 3.476 18864 1966 1 5 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.503 0.692 18864 1967 1 5 . 1 1 57 57 GLY H H 57 8.072 8.072 7.972 0.100 18864 1968 1 5 . 1 1 58 58 TYR N N 58 115.734 115.734 121.948 -6.214 18864 1969 1 5 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.658 0.533 18864 1970 1 5 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.264 -0.414 18864 1971 1 5 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.592 2.082 18864 1972 1 5 . 1 1 58 58 TYR H H 58 8.348 8.348 8.619 -0.271 18864 1973 1 5 . 1 1 59 59 PHE N N 59 118.174 118.174 118.984 -0.810 18864 1974 1 5 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.959 0.078 18864 1975 1 5 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.121 0.194 18864 1976 1 5 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.377 0.213 18864 1977 1 5 . 1 1 59 59 PHE H H 59 9.136 9.136 8.225 0.911 18864 1978 1 5 . 1 1 60 60 GLY N N 60 106.839 106.839 108.277 -1.438 18864 1979 1 5 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.440 -0.279 18864 1980 1 5 . 1 1 60 60 GLY H H 60 8.594 8.594 8.535 0.059 18864 1981 1 5 . 1 1 61 61 ARG N N 61 119.161 119.161 119.574 -0.413 18864 1982 1 5 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.318 -0.315 18864 1983 1 5 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.482 -0.063 18864 1984 1 5 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.634 -0.335 18864 1985 1 5 . 1 1 61 61 ARG H H 61 8.833 8.833 8.497 0.336 18864 1986 1 5 . 1 1 62 62 GLY N N 62 112.714 112.714 112.750 -0.036 18864 1987 1 5 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.297 0.204 18864 1988 1 5 . 1 1 62 62 GLY H H 62 10.418 10.418 10.244 0.174 18864 1989 1 5 . 1 1 63 63 LYS N N 63 120.687 120.687 120.063 0.624 18864 1990 1 5 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.051 0.335 18864 1991 1 5 . 1 1 63 63 LYS CA C 63 57.120 57.120 58.043 -0.923 18864 1992 1 5 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.653 2.209 18864 1993 1 5 . 1 1 63 63 LYS H H 63 7.706 7.706 8.104 -0.398 18864 1994 1 5 . 1 1 64 64 MET N N 64 117.704 117.704 117.079 0.625 18864 1995 1 5 . 1 1 64 64 MET HA H 64 4.608 4.608 4.270 0.338 18864 1996 1 5 . 1 1 64 64 MET CA C 64 51.959 51.959 53.062 -1.103 18864 1997 1 5 . 1 1 64 64 MET CB C 64 33.012 33.012 34.005 -0.993 18864 1998 1 5 . 1 1 64 64 MET H H 64 9.046 9.046 7.369 1.677 18864 1999 1 5 . 1 1 65 65 VAL N N 65 113.540 113.540 118.875 -5.335 18864 2000 1 5 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.124 0.089 18864 2001 1 5 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.576 0.764 18864 2002 1 5 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.100 -0.299 18864 2003 1 5 . 1 1 65 65 VAL H H 65 8.043 8.043 7.941 0.102 18864 2004 1 5 . 1 1 66 66 LYS N N 66 124.592 124.592 125.750 -1.158 18864 2005 1 5 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.422 -0.219 18864 2006 1 5 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.190 0.232 18864 2007 1 5 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.334 0.099 18864 2008 1 5 . 1 1 66 66 LYS H H 66 8.877 8.877 8.932 -0.055 18864 2009 1 5 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.333 0.118 18864 2010 1 5 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.710 0.339 18864 2011 1 5 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.053 0.198 18864 2012 1 5 . 1 1 68 68 PHE N N 68 115.149 115.149 120.218 -5.069 18864 2013 1 5 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.046 -0.359 18864 2014 1 5 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.835 -1.079 18864 2015 1 5 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.943 1.239 18864 2016 1 5 . 1 1 68 68 PHE H H 68 6.997 6.997 7.812 -0.815 18864 2017 1 5 . 1 1 69 69 GLU N N 69 119.933 119.933 119.626 0.307 18864 2018 1 5 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.099 -0.103 18864 2019 1 5 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.173 0.791 18864 2020 1 5 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.590 1.335 18864 2021 1 5 . 1 1 69 69 GLU H H 69 8.562 8.562 8.448 0.114 18864 2022 1 5 . 1 1 70 70 ASP N N 70 116.956 116.956 120.082 -3.126 18864 2023 1 5 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.610 -0.225 18864 2024 1 5 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.390 -0.217 18864 2025 1 5 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.414 -0.226 18864 2026 1 5 . 1 1 70 70 ASP H H 70 9.074 9.074 8.569 0.505 18864 2027 1 5 . 1 1 71 71 ALA N N 71 117.745 117.745 122.027 -4.282 18864 2028 1 5 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.079 0.093 18864 2029 1 5 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.020 -0.706 18864 2030 1 5 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.173 2.329 18864 2031 1 5 . 1 1 71 71 ALA H H 71 6.888 6.888 8.135 -1.247 18864 2032 1 5 . 1 1 72 72 ALA N N 72 120.783 120.783 121.885 -1.102 18864 2033 1 5 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.852 -0.106 18864 2034 1 5 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.816 0.578 18864 2035 1 5 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.667 0.417 18864 2036 1 5 . 1 1 72 72 ALA H H 72 8.860 8.860 7.910 0.950 18864 2037 1 5 . 1 1 73 73 PHE N N 73 110.353 110.353 115.547 -5.194 18864 2038 1 5 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.236 -0.215 18864 2039 1 5 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.631 -0.065 18864 2040 1 5 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.758 -0.431 18864 2041 1 5 . 1 1 73 73 PHE H H 73 8.275 8.275 8.013 0.262 18864 2042 1 5 . 1 1 74 74 ARG N N 74 116.189 116.189 119.730 -3.541 18864 2043 1 5 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.152 0.322 18864 2044 1 5 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.305 -2.938 18864 2045 1 5 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.434 1.266 18864 2046 1 5 . 1 1 74 74 ARG H H 74 7.047 7.047 7.919 -0.872 18864 2047 1 5 . 1 1 75 75 LEU N N 75 119.425 119.425 117.587 1.838 18864 2048 1 5 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.572 -0.293 18864 2049 1 5 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.885 1.116 18864 2050 1 5 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.755 2.390 18864 2051 1 5 . 1 1 75 75 LEU H H 75 7.033 7.033 8.029 -0.996 18864 2052 1 5 . 1 1 76 76 GLN N N 76 121.205 121.205 120.522 0.683 18864 2053 1 5 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.885 0.522 18864 2054 1 5 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.122 -4.663 18864 2055 1 5 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.335 1.285 18864 2056 1 5 . 1 1 76 76 GLN H H 76 9.087 9.087 7.760 1.327 18864 2057 1 5 . 1 1 77 77 VAL N N 77 121.809 121.809 116.410 5.399 18864 2058 1 5 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.722 0.681 18864 2059 1 5 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.765 3.818 18864 2060 1 5 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.712 -3.096 18864 2061 1 5 . 1 1 77 77 VAL H H 77 8.901 8.901 7.884 1.017 18864 2062 1 5 . 1 1 78 78 GLY N N 78 117.559 117.559 107.052 10.507 18864 2063 1 5 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.512 0.621 18864 2064 1 5 . 1 1 78 78 GLY H H 78 9.049 9.049 8.225 0.824 18864 2065 1 5 . 1 1 79 79 GLU N N 79 122.304 122.304 120.308 1.996 18864 2066 1 5 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.335 -0.068 18864 2067 1 5 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.400 0.147 18864 2068 1 5 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.031 1.259 18864 2069 1 5 . 1 1 79 79 GLU H H 79 8.093 8.093 7.775 0.318 18864 2070 1 5 . 1 1 80 80 VAL N N 80 122.253 122.253 119.581 2.672 18864 2071 1 5 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.331 0.715 18864 2072 1 5 . 1 1 80 80 VAL CA C 80 60.322 60.322 60.993 -0.671 18864 2073 1 5 . 1 1 80 80 VAL CB C 80 33.557 33.557 33.677 -0.120 18864 2074 1 5 . 1 1 80 80 VAL H H 80 8.133 8.133 8.347 -0.214 18864 2075 1 5 . 1 1 81 81 SER N N 81 125.484 125.484 123.559 1.925 18864 2076 1 5 . 1 1 81 81 SER HA H 81 4.346 4.346 4.541 -0.195 18864 2077 1 5 . 1 1 81 81 SER CA C 81 59.316 59.316 58.087 1.228 18864 2078 1 5 . 1 1 81 81 SER CB C 81 65.988 65.988 63.791 2.196 18864 2079 1 5 . 1 1 81 81 SER H H 81 9.927 9.927 8.819 1.108 18864 2080 1 5 . 1 1 82 82 GLU N N 82 116.381 116.381 120.199 -3.818 18864 2081 1 5 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.439 0.184 18864 2082 1 5 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.843 0.808 18864 2083 1 5 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.252 0.078 18864 2084 1 5 . 1 1 82 82 GLU H H 82 7.986 7.986 8.483 -0.497 18864 2085 1 5 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.361 0.372 18864 2086 1 5 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.552 0.130 18864 2087 1 5 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.806 -0.364 18864 2088 1 5 . 1 1 84 84 VAL N N 84 127.594 127.594 125.792 1.802 18864 2089 1 5 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.424 -0.063 18864 2090 1 5 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.864 0.387 18864 2091 1 5 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.875 0.735 18864 2092 1 5 . 1 1 84 84 VAL H H 84 9.630 9.630 9.106 0.524 18864 2093 1 5 . 1 1 85 85 LYS N N 85 130.184 130.184 129.605 0.579 18864 2094 1 5 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.744 -0.464 18864 2095 1 5 . 1 1 85 85 LYS CA C 85 56.161 56.161 54.774 1.387 18864 2096 1 5 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.820 -0.136 18864 2097 1 5 . 1 1 85 85 LYS H H 85 8.827 8.827 8.761 0.065 18864 2098 1 5 . 1 1 86 86 SER N N 86 125.071 125.071 121.590 3.481 18864 2099 1 5 . 1 1 86 86 SER HA H 86 4.925 4.925 4.955 -0.030 18864 2100 1 5 . 1 1 86 86 SER CA C 86 56.939 56.939 56.577 0.362 18864 2101 1 5 . 1 1 86 86 SER CB C 86 67.836 67.836 66.891 0.945 18864 2102 1 5 . 1 1 86 86 SER H H 86 9.594 9.594 8.873 0.721 18864 2103 1 5 . 1 1 87 87 GLU N N 87 118.510 118.510 119.497 -0.987 18864 2104 1 5 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.048 0.072 18864 2105 1 5 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.295 -0.210 18864 2106 1 5 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.140 0.240 18864 2107 1 5 . 1 1 87 87 GLU H H 87 9.615 9.615 8.947 0.668 18864 2108 1 5 . 1 1 88 88 PHE N N 88 118.385 118.385 118.984 -0.599 18864 2109 1 5 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.320 0.219 18864 2110 1 5 . 1 1 88 88 PHE CA C 88 58.501 58.501 60.205 -1.704 18864 2111 1 5 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.603 0.556 18864 2112 1 5 . 1 1 88 88 PHE H H 88 8.817 8.817 8.026 0.791 18864 2113 1 5 . 1 1 89 89 GLY N N 89 107.269 107.269 103.475 3.794 18864 2114 1 5 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.908 0.180 18864 2115 1 5 . 1 1 89 89 GLY H H 89 7.405 7.405 7.971 -0.566 18864 2116 1 5 . 1 1 90 90 TYR N N 90 119.181 119.181 121.760 -2.579 18864 2117 1 5 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.737 -0.657 18864 2118 1 5 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.332 0.004 18864 2119 1 5 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.685 1.144 18864 2120 1 5 . 1 1 90 90 TYR H H 90 9.119 9.119 7.831 1.288 18864 2121 1 5 . 1 1 91 91 HIS N N 91 120.399 120.399 122.504 -2.105 18864 2122 1 5 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.648 -0.091 18864 2123 1 5 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.426 0.020 18864 2124 1 5 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.661 -2.364 18864 2125 1 5 . 1 1 91 91 HIS H H 91 9.879 9.879 9.746 0.133 18864 2126 1 5 . 1 1 92 92 VAL N N 92 122.606 122.606 122.844 -0.238 18864 2127 1 5 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.387 -0.400 18864 2128 1 5 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.812 2.116 18864 2129 1 5 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.858 -0.636 18864 2130 1 5 . 1 1 92 92 VAL H H 92 9.102 9.102 9.298 -0.196 18864 2131 1 5 . 1 1 93 93 ILE N N 93 128.087 128.087 127.700 0.387 18864 2132 1 5 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.194 -0.415 18864 2133 1 5 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.848 1.088 18864 2134 1 5 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.611 1.161 18864 2135 1 5 . 1 1 93 93 ILE H H 93 8.623 8.623 9.576 -0.953 18864 2136 1 5 . 1 1 94 94 LYS N N 94 125.877 125.877 126.907 -1.030 18864 2137 1 5 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.305 0.006 18864 2138 1 5 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.005 1.228 18864 2139 1 5 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.937 -0.449 18864 2140 1 5 . 1 1 94 94 LYS H H 94 8.881 8.881 9.136 -0.255 18864 2141 1 5 . 1 1 95 95 ARG N N 95 126.274 126.274 122.525 3.749 18864 2142 1 5 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.292 0.731 18864 2143 1 5 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.835 -0.821 18864 2144 1 5 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.046 -1.289 18864 2145 1 5 . 1 1 95 95 ARG H H 95 7.955 7.955 7.992 -0.037 18864 2146 1 5 . 1 1 96 96 LEU N N 96 129.551 129.551 127.534 2.017 18864 2147 1 5 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.441 0.146 18864 2148 1 5 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.746 0.775 18864 2149 1 5 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.624 -0.240 18864 2150 1 5 . 1 1 96 96 LEU H H 96 9.017 9.017 8.675 0.342 18864 2151 1 6 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.524 -0.054 18864 2152 1 6 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.635 0.611 18864 2153 1 6 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.710 -0.322 18864 2154 1 6 . 1 1 3 3 MET HA H 3 4.476 4.476 4.467 0.009 18864 2155 1 6 . 1 1 3 3 MET CA C 3 56.002 56.002 55.818 0.184 18864 2156 1 6 . 1 1 3 3 MET CB C 3 32.025 32.025 34.827 -2.802 18864 2157 1 6 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.048 0.385 18864 2158 1 6 . 1 1 5 5 SER HA H 5 4.427 4.427 4.546 -0.119 18864 2159 1 6 . 1 1 5 5 SER CA C 5 58.631 58.631 57.333 1.298 18864 2160 1 6 . 1 1 5 5 SER CB C 5 64.117 64.117 64.531 -0.414 18864 2161 1 6 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.270 0.155 18864 2162 1 6 . 1 1 7 7 ALA CA C 7 52.645 52.645 53.295 -0.650 18864 2163 1 6 . 1 1 7 7 ALA CB C 7 19.616 19.616 17.882 1.734 18864 2164 1 6 . 1 1 8 8 ASP N N 8 119.103 119.103 119.169 -0.066 18864 2165 1 6 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.509 0.112 18864 2166 1 6 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.730 -1.560 18864 2167 1 6 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.549 -0.174 18864 2168 1 6 . 1 1 8 8 ASP H H 8 8.353 8.353 8.011 0.342 18864 2169 1 6 . 1 1 9 9 LYS N N 9 117.781 117.781 116.898 0.883 18864 2170 1 6 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.838 0.128 18864 2171 1 6 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.770 0.597 18864 2172 1 6 . 1 1 9 9 LYS CB C 9 36.080 36.080 35.218 0.862 18864 2173 1 6 . 1 1 9 9 LYS H H 9 7.858 7.858 7.599 0.259 18864 2174 1 6 . 1 1 10 10 ILE N N 10 114.675 114.675 121.800 -7.125 18864 2175 1 6 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.997 0.517 18864 2176 1 6 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.544 0.017 18864 2177 1 6 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.713 3.682 18864 2178 1 6 . 1 1 10 10 ILE H H 10 8.254 8.254 8.403 -0.149 18864 2179 1 6 . 1 1 11 11 LYS N N 11 121.626 121.626 127.895 -6.269 18864 2180 1 6 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.340 0.451 18864 2181 1 6 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.015 -2.104 18864 2182 1 6 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.169 2.434 18864 2183 1 6 . 1 1 11 11 LYS H H 11 7.974 7.974 8.573 -0.599 18864 2184 1 6 . 1 1 12 12 CYS N N 12 118.054 118.054 122.513 -4.459 18864 2185 1 6 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.347 0.291 18864 2186 1 6 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.102 0.556 18864 2187 1 6 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.066 2.559 18864 2188 1 6 . 1 1 12 12 CYS H H 12 7.256 7.256 9.218 -1.962 18864 2189 1 6 . 1 1 13 13 SER N N 13 117.042 117.042 116.630 0.412 18864 2190 1 6 . 1 1 13 13 SER HA H 13 5.625 5.625 5.415 0.210 18864 2191 1 6 . 1 1 13 13 SER CA C 13 56.017 56.017 57.162 -1.145 18864 2192 1 6 . 1 1 13 13 SER CB C 13 66.920 66.920 64.852 2.068 18864 2193 1 6 . 1 1 13 13 SER H H 13 9.186 9.186 8.892 0.294 18864 2194 1 6 . 1 1 14 14 HIS N N 14 119.162 119.162 122.840 -3.678 18864 2195 1 6 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.210 0.200 18864 2196 1 6 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.834 0.760 18864 2197 1 6 . 1 1 14 14 HIS CB C 14 37.623 37.623 33.932 3.691 18864 2198 1 6 . 1 1 14 14 HIS H H 14 9.902 9.902 9.605 0.297 18864 2199 1 6 . 1 1 15 15 ILE N N 15 121.809 121.809 121.399 0.410 18864 2200 1 6 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.045 -0.608 18864 2201 1 6 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.827 2.050 18864 2202 1 6 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.190 0.603 18864 2203 1 6 . 1 1 15 15 ILE H H 15 8.913 8.913 9.124 -0.211 18864 2204 1 6 . 1 1 16 16 LEU N N 16 129.008 129.008 130.586 -1.578 18864 2205 1 6 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.031 -0.013 18864 2206 1 6 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.414 -0.751 18864 2207 1 6 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.807 1.209 18864 2208 1 6 . 1 1 16 16 LEU H H 16 7.632 7.632 8.317 -0.685 18864 2209 1 6 . 1 1 17 17 VAL N N 17 117.991 117.991 121.085 -3.094 18864 2210 1 6 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.705 0.254 18864 2211 1 6 . 1 1 17 17 VAL CA C 17 58.841 58.841 58.926 -0.085 18864 2212 1 6 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.921 -1.132 18864 2213 1 6 . 1 1 17 17 VAL H H 17 9.025 9.025 9.344 -0.319 18864 2214 1 6 . 1 1 18 18 LYS N N 18 119.296 119.296 119.782 -0.486 18864 2215 1 6 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.401 0.000 18864 2216 1 6 . 1 1 18 18 LYS CA C 18 59.373 59.373 57.391 1.982 18864 2217 1 6 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.654 1.656 18864 2218 1 6 . 1 1 18 18 LYS H H 18 8.781 8.781 8.449 0.332 18864 2219 1 6 . 1 1 19 19 LYS N N 19 114.107 114.107 120.712 -6.605 18864 2220 1 6 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.400 0.435 18864 2221 1 6 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.378 0.347 18864 2222 1 6 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.291 1.513 18864 2223 1 6 . 1 1 19 19 LYS H H 19 8.023 8.023 7.504 0.519 18864 2224 1 6 . 1 1 20 20 GLN N N 20 125.662 125.662 124.773 0.889 18864 2225 1 6 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.676 1.178 18864 2226 1 6 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.872 -0.437 18864 2227 1 6 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.212 -0.243 18864 2228 1 6 . 1 1 20 20 GLN H H 20 8.795 8.795 8.635 0.160 18864 2229 1 6 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.686 0.311 18864 2230 1 6 . 1 1 22 22 GLU N N 22 119.712 119.712 122.440 -2.728 18864 2231 1 6 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.012 0.103 18864 2232 1 6 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.513 -1.391 18864 2233 1 6 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.359 0.357 18864 2234 1 6 . 1 1 22 22 GLU H H 22 6.765 6.765 8.342 -1.577 18864 2235 1 6 . 1 1 23 23 ALA N N 23 124.106 124.106 123.405 0.701 18864 2236 1 6 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.982 -0.214 18864 2237 1 6 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.478 -0.573 18864 2238 1 6 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.425 -0.622 18864 2239 1 6 . 1 1 23 23 ALA H H 23 7.461 7.461 7.865 -0.404 18864 2240 1 6 . 1 1 24 24 LEU N N 24 118.772 118.772 119.557 -0.785 18864 2241 1 6 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.356 -0.177 18864 2242 1 6 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.409 0.428 18864 2243 1 6 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.564 0.640 18864 2244 1 6 . 1 1 24 24 LEU H H 24 7.989 7.989 8.507 -0.518 18864 2245 1 6 . 1 1 25 25 ALA N N 25 121.590 121.590 122.698 -1.108 18864 2246 1 6 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.983 0.213 18864 2247 1 6 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.597 -0.401 18864 2248 1 6 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.234 -0.337 18864 2249 1 6 . 1 1 25 25 ALA H H 25 7.472 7.472 8.572 -1.100 18864 2250 1 6 . 1 1 26 26 VAL N N 26 118.603 118.603 116.619 1.984 18864 2251 1 6 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.588 -0.318 18864 2252 1 6 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.409 1.899 18864 2253 1 6 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.035 1.377 18864 2254 1 6 . 1 1 26 26 VAL H H 26 7.633 7.633 8.271 -0.638 18864 2255 1 6 . 1 1 27 27 GLN N N 27 117.799 117.799 120.610 -2.811 18864 2256 1 6 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.988 -0.032 18864 2257 1 6 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.504 0.795 18864 2258 1 6 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.452 1.368 18864 2259 1 6 . 1 1 27 27 GLN H H 27 8.000 8.000 8.231 -0.231 18864 2260 1 6 . 1 1 28 28 GLU N N 28 118.775 118.775 118.859 -0.084 18864 2261 1 6 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.078 -0.061 18864 2262 1 6 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.037 0.538 18864 2263 1 6 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.271 0.339 18864 2264 1 6 . 1 1 28 28 GLU H H 28 8.107 8.107 8.546 -0.439 18864 2265 1 6 . 1 1 29 29 ARG N N 29 121.360 121.360 120.831 0.529 18864 2266 1 6 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.029 0.097 18864 2267 1 6 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.428 0.646 18864 2268 1 6 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.006 1.375 18864 2269 1 6 . 1 1 29 29 ARG H H 29 8.084 8.084 8.358 -0.274 18864 2270 1 6 . 1 1 30 30 LEU N N 30 120.289 120.289 119.791 0.498 18864 2271 1 6 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.462 -0.127 18864 2272 1 6 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.007 -0.335 18864 2273 1 6 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.342 0.399 18864 2274 1 6 . 1 1 30 30 LEU H H 30 8.379 8.379 8.621 -0.242 18864 2275 1 6 . 1 1 31 31 LYS N N 31 122.554 122.554 119.393 3.161 18864 2276 1 6 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.078 -0.025 18864 2277 1 6 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.366 1.063 18864 2278 1 6 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.721 0.598 18864 2279 1 6 . 1 1 31 31 LYS H H 31 8.280 8.280 7.959 0.321 18864 2280 1 6 . 1 1 32 32 ALA N N 32 119.271 119.271 118.652 0.619 18864 2281 1 6 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.210 0.168 18864 2282 1 6 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.217 -0.641 18864 2283 1 6 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.420 -0.599 18864 2284 1 6 . 1 1 32 32 ALA H H 32 7.557 7.557 7.968 -0.411 18864 2285 1 6 . 1 1 33 33 GLY N N 33 105.104 105.104 104.612 0.492 18864 2286 1 6 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.505 0.240 18864 2287 1 6 . 1 1 33 33 GLY H H 33 7.758 7.758 7.743 0.015 18864 2288 1 6 . 1 1 34 34 GLU N N 34 121.024 121.024 120.978 0.046 18864 2289 1 6 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.428 -0.149 18864 2290 1 6 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.797 2.375 18864 2291 1 6 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.891 -0.155 18864 2292 1 6 . 1 1 34 34 GLU H H 34 7.871 7.871 7.820 0.051 18864 2293 1 6 . 1 1 35 35 LYS N N 35 121.214 121.214 121.917 -0.703 18864 2294 1 6 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.313 -0.048 18864 2295 1 6 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.688 -0.371 18864 2296 1 6 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.238 -0.176 18864 2297 1 6 . 1 1 35 35 LYS H H 35 8.776 8.776 8.633 0.143 18864 2298 1 6 . 1 1 36 36 PHE N N 36 125.726 125.726 126.779 -1.053 18864 2299 1 6 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.183 -0.540 18864 2300 1 6 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.904 0.926 18864 2301 1 6 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.031 1.264 18864 2302 1 6 . 1 1 36 36 PHE H H 36 8.972 8.972 8.990 -0.018 18864 2303 1 6 . 1 1 37 37 GLY N N 37 103.959 103.959 105.573 -1.614 18864 2304 1 6 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.988 0.357 18864 2305 1 6 . 1 1 37 37 GLY H H 37 9.123 9.123 8.930 0.193 18864 2306 1 6 . 1 1 38 38 LYS N N 38 120.432 120.432 122.768 -2.336 18864 2307 1 6 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.005 0.053 18864 2308 1 6 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.433 -0.404 18864 2309 1 6 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.393 0.262 18864 2310 1 6 . 1 1 38 38 LYS H H 38 6.683 6.683 7.659 -0.976 18864 2311 1 6 . 1 1 39 39 LEU N N 39 119.598 119.598 119.271 0.327 18864 2312 1 6 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.968 -0.061 18864 2313 1 6 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.465 0.149 18864 2314 1 6 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.577 1.167 18864 2315 1 6 . 1 1 39 39 LEU H H 39 7.754 7.754 7.833 -0.079 18864 2316 1 6 . 1 1 40 40 ALA N N 40 121.385 121.385 122.241 -0.856 18864 2317 1 6 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.981 -0.209 18864 2318 1 6 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.804 1.071 18864 2319 1 6 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.532 -1.347 18864 2320 1 6 . 1 1 40 40 ALA H H 40 8.437 8.437 8.416 0.021 18864 2321 1 6 . 1 1 41 41 LYS N N 41 116.991 116.991 116.985 0.006 18864 2322 1 6 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.082 -0.160 18864 2323 1 6 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.878 0.881 18864 2324 1 6 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.157 0.454 18864 2325 1 6 . 1 1 41 41 LYS H H 41 7.681 7.681 8.416 -0.735 18864 2326 1 6 . 1 1 42 42 GLU N N 42 117.121 117.121 118.170 -1.049 18864 2327 1 6 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.180 -0.152 18864 2328 1 6 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.091 0.969 18864 2329 1 6 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.101 1.394 18864 2330 1 6 . 1 1 42 42 GLU H H 42 7.796 7.796 7.800 -0.004 18864 2331 1 6 . 1 1 43 43 LEU N N 43 112.754 112.754 118.418 -5.664 18864 2332 1 6 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.128 0.411 18864 2333 1 6 . 1 1 43 43 LEU CA C 43 55.177 55.177 56.686 -1.509 18864 2334 1 6 . 1 1 43 43 LEU CB C 43 45.062 45.062 42.695 2.367 18864 2335 1 6 . 1 1 43 43 LEU H H 43 8.305 8.305 7.752 0.553 18864 2336 1 6 . 1 1 44 44 SER N N 44 110.514 110.514 113.115 -2.601 18864 2337 1 6 . 1 1 44 44 SER HA H 44 4.707 4.707 4.455 0.252 18864 2338 1 6 . 1 1 44 44 SER CA C 44 57.490 57.490 59.608 -2.118 18864 2339 1 6 . 1 1 44 44 SER CB C 44 65.461 65.461 63.511 1.950 18864 2340 1 6 . 1 1 44 44 SER H H 44 8.255 8.255 7.301 0.954 18864 2341 1 6 . 1 1 45 45 ILE N N 45 120.438 120.438 117.050 3.388 18864 2342 1 6 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.171 0.248 18864 2343 1 6 . 1 1 45 45 ILE CA C 45 61.859 61.859 61.056 0.803 18864 2344 1 6 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.144 -1.014 18864 2345 1 6 . 1 1 45 45 ILE H H 45 9.238 9.238 8.658 0.580 18864 2346 1 6 . 1 1 46 46 ASP N N 46 120.068 120.068 122.330 -2.262 18864 2347 1 6 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.656 -0.278 18864 2348 1 6 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.000 -0.248 18864 2349 1 6 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.704 -0.288 18864 2350 1 6 . 1 1 46 46 ASP H H 46 7.488 7.488 7.683 -0.195 18864 2351 1 6 . 1 1 47 47 GLY N N 47 114.910 114.910 113.474 1.436 18864 2352 1 6 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.141 0.177 18864 2353 1 6 . 1 1 47 47 GLY H H 47 8.562 8.562 8.044 0.518 18864 2354 1 6 . 1 1 48 48 GLY N N 48 106.725 106.725 109.900 -3.175 18864 2355 1 6 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.909 -0.283 18864 2356 1 6 . 1 1 48 48 GLY H H 48 8.328 8.328 8.224 0.104 18864 2357 1 6 . 1 1 49 49 SER N N 49 110.646 110.646 118.635 -7.989 18864 2358 1 6 . 1 1 49 49 SER HA H 49 4.560 4.560 4.153 0.407 18864 2359 1 6 . 1 1 49 49 SER CA C 49 59.559 59.559 62.178 -2.619 18864 2360 1 6 . 1 1 49 49 SER CB C 49 65.469 65.469 63.167 2.302 18864 2361 1 6 . 1 1 49 49 SER H H 49 7.255 7.255 8.661 -1.406 18864 2362 1 6 . 1 1 50 50 ALA N N 50 130.821 130.821 125.258 5.563 18864 2363 1 6 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.110 -0.284 18864 2364 1 6 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.139 1.731 18864 2365 1 6 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.077 1.308 18864 2366 1 6 . 1 1 50 50 ALA H H 50 8.571 8.571 8.296 0.276 18864 2367 1 6 . 1 1 51 51 LYS N N 51 110.700 110.700 117.431 -6.731 18864 2368 1 6 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.088 0.149 18864 2369 1 6 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.711 -1.124 18864 2370 1 6 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.020 0.098 18864 2371 1 6 . 1 1 51 51 LYS H H 51 7.761 7.761 8.276 -0.515 18864 2372 1 6 . 1 1 52 52 ARG N N 52 120.280 120.280 117.898 2.382 18864 2373 1 6 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.457 0.330 18864 2374 1 6 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.855 -1.653 18864 2375 1 6 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.397 -0.893 18864 2376 1 6 . 1 1 52 52 ARG H H 52 7.650 7.650 7.665 -0.015 18864 2377 1 6 . 1 1 53 53 ASP N N 53 117.809 117.809 117.373 0.436 18864 2378 1 6 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.388 0.013 18864 2379 1 6 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.588 0.759 18864 2380 1 6 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.027 -0.405 18864 2381 1 6 . 1 1 53 53 ASP H H 53 8.157 8.157 8.209 -0.052 18864 2382 1 6 . 1 1 54 54 GLY N N 54 104.041 104.041 104.318 -0.277 18864 2383 1 6 . 1 1 54 54 GLY CA C 54 45.628 45.628 45.818 -0.190 18864 2384 1 6 . 1 1 54 54 GLY H H 54 8.279 8.279 8.959 -0.680 18864 2385 1 6 . 1 1 55 55 SER N N 55 113.436 113.436 120.217 -6.781 18864 2386 1 6 . 1 1 55 55 SER HA H 55 4.578 4.578 4.311 0.267 18864 2387 1 6 . 1 1 55 55 SER CA C 55 59.851 59.851 59.134 0.717 18864 2388 1 6 . 1 1 55 55 SER CB C 55 64.102 64.102 62.239 1.863 18864 2389 1 6 . 1 1 55 55 SER H H 55 7.524 7.524 7.760 -0.236 18864 2390 1 6 . 1 1 56 56 LEU N N 56 126.328 126.328 127.402 -1.074 18864 2391 1 6 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.006 0.485 18864 2392 1 6 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.880 -2.742 18864 2393 1 6 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.058 1.202 18864 2394 1 6 . 1 1 56 56 LEU H H 56 8.818 8.818 8.646 0.172 18864 2395 1 6 . 1 1 57 57 GLY N N 57 107.077 107.077 104.400 2.677 18864 2396 1 6 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.757 0.438 18864 2397 1 6 . 1 1 57 57 GLY H H 57 8.072 8.072 7.922 0.150 18864 2398 1 6 . 1 1 58 58 TYR N N 58 115.734 115.734 122.168 -6.434 18864 2399 1 6 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.730 0.461 18864 2400 1 6 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.344 -0.494 18864 2401 1 6 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.768 1.906 18864 2402 1 6 . 1 1 58 58 TYR H H 58 8.348 8.348 8.642 -0.294 18864 2403 1 6 . 1 1 59 59 PHE N N 59 118.174 118.174 119.171 -0.997 18864 2404 1 6 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.957 0.080 18864 2405 1 6 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.105 0.210 18864 2406 1 6 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.628 -0.038 18864 2407 1 6 . 1 1 59 59 PHE H H 59 9.136 9.136 8.314 0.822 18864 2408 1 6 . 1 1 60 60 GLY N N 60 106.839 106.839 108.342 -1.503 18864 2409 1 6 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.611 -0.450 18864 2410 1 6 . 1 1 60 60 GLY H H 60 8.594 8.594 8.495 0.099 18864 2411 1 6 . 1 1 61 61 ARG N N 61 119.161 119.161 119.363 -0.202 18864 2412 1 6 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.544 -0.541 18864 2413 1 6 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.023 0.396 18864 2414 1 6 . 1 1 61 61 ARG CB C 61 30.298 30.298 31.208 -0.910 18864 2415 1 6 . 1 1 61 61 ARG H H 61 8.833 8.833 8.576 0.257 18864 2416 1 6 . 1 1 62 62 GLY N N 62 112.714 112.714 112.176 0.538 18864 2417 1 6 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.142 0.359 18864 2418 1 6 . 1 1 62 62 GLY H H 62 10.418 10.418 9.773 0.645 18864 2419 1 6 . 1 1 63 63 LYS N N 63 120.687 120.687 121.512 -0.825 18864 2420 1 6 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.105 0.281 18864 2421 1 6 . 1 1 63 63 LYS CA C 63 57.120 57.120 58.135 -1.015 18864 2422 1 6 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.450 2.412 18864 2423 1 6 . 1 1 63 63 LYS H H 63 7.706 7.706 8.338 -0.632 18864 2424 1 6 . 1 1 64 64 MET N N 64 117.704 117.704 118.075 -0.371 18864 2425 1 6 . 1 1 64 64 MET HA H 64 4.608 4.608 4.154 0.454 18864 2426 1 6 . 1 1 64 64 MET CA C 64 51.959 51.959 54.222 -2.263 18864 2427 1 6 . 1 1 64 64 MET CB C 64 33.012 33.012 32.511 0.501 18864 2428 1 6 . 1 1 64 64 MET H H 64 9.046 9.046 7.804 1.242 18864 2429 1 6 . 1 1 65 65 VAL N N 65 113.540 113.540 116.775 -3.235 18864 2430 1 6 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.218 -0.005 18864 2431 1 6 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.679 0.661 18864 2432 1 6 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.621 -0.820 18864 2433 1 6 . 1 1 65 65 VAL H H 65 8.043 8.043 8.068 -0.025 18864 2434 1 6 . 1 1 66 66 LYS N N 66 124.592 124.592 126.677 -2.085 18864 2435 1 6 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.185 0.018 18864 2436 1 6 . 1 1 66 66 LYS CA C 66 61.422 61.422 60.822 0.600 18864 2437 1 6 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.622 0.811 18864 2438 1 6 . 1 1 66 66 LYS H H 66 8.877 8.877 9.054 -0.177 18864 2439 1 6 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.299 0.152 18864 2440 1 6 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.812 0.237 18864 2441 1 6 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.318 -0.067 18864 2442 1 6 . 1 1 68 68 PHE N N 68 115.149 115.149 120.029 -4.880 18864 2443 1 6 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.063 -0.376 18864 2444 1 6 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.881 -1.125 18864 2445 1 6 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.994 1.188 18864 2446 1 6 . 1 1 68 68 PHE H H 68 6.997 6.997 8.023 -1.026 18864 2447 1 6 . 1 1 69 69 GLU N N 69 119.933 119.933 119.318 0.615 18864 2448 1 6 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.092 -0.096 18864 2449 1 6 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.993 0.971 18864 2450 1 6 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.626 1.299 18864 2451 1 6 . 1 1 69 69 GLU H H 69 8.562 8.562 8.477 0.085 18864 2452 1 6 . 1 1 70 70 ASP N N 70 116.956 116.956 120.100 -3.144 18864 2453 1 6 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.532 -0.147 18864 2454 1 6 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.586 -0.413 18864 2455 1 6 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.946 -0.758 18864 2456 1 6 . 1 1 70 70 ASP H H 70 9.074 9.074 8.739 0.335 18864 2457 1 6 . 1 1 71 71 ALA N N 71 117.745 117.745 121.501 -3.756 18864 2458 1 6 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.952 0.220 18864 2459 1 6 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.015 -0.700 18864 2460 1 6 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.530 1.972 18864 2461 1 6 . 1 1 71 71 ALA H H 71 6.888 6.888 8.047 -1.159 18864 2462 1 6 . 1 1 72 72 ALA N N 72 120.783 120.783 121.777 -0.994 18864 2463 1 6 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.875 -0.129 18864 2464 1 6 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.537 0.856 18864 2465 1 6 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.473 0.611 18864 2466 1 6 . 1 1 72 72 ALA H H 72 8.860 8.860 7.771 1.089 18864 2467 1 6 . 1 1 73 73 PHE N N 73 110.353 110.353 117.758 -7.405 18864 2468 1 6 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.181 -0.160 18864 2469 1 6 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.922 -0.356 18864 2470 1 6 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.567 -0.240 18864 2471 1 6 . 1 1 73 73 PHE H H 73 8.275 8.275 8.075 0.200 18864 2472 1 6 . 1 1 74 74 ARG N N 74 116.189 116.189 118.198 -2.009 18864 2473 1 6 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.162 0.312 18864 2474 1 6 . 1 1 74 74 ARG CA C 74 56.367 56.367 58.691 -2.324 18864 2475 1 6 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.045 1.655 18864 2476 1 6 . 1 1 74 74 ARG H H 74 7.047 7.047 7.659 -0.612 18864 2477 1 6 . 1 1 75 75 LEU N N 75 119.425 119.425 118.433 0.992 18864 2478 1 6 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.521 -0.242 18864 2479 1 6 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.208 0.793 18864 2480 1 6 . 1 1 75 75 LEU CB C 75 43.145 43.145 41.262 1.883 18864 2481 1 6 . 1 1 75 75 LEU H H 75 7.033 7.033 7.440 -0.407 18864 2482 1 6 . 1 1 76 76 GLN N N 76 121.205 121.205 119.180 2.025 18864 2483 1 6 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.925 0.482 18864 2484 1 6 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.541 -4.082 18864 2485 1 6 . 1 1 76 76 GLN CB C 76 29.620 29.620 27.953 1.667 18864 2486 1 6 . 1 1 76 76 GLN H H 76 9.087 9.087 7.597 1.490 18864 2487 1 6 . 1 1 77 77 VAL N N 77 121.809 121.809 115.624 6.185 18864 2488 1 6 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.861 0.542 18864 2489 1 6 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.326 4.257 18864 2490 1 6 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.758 -3.142 18864 2491 1 6 . 1 1 77 77 VAL H H 77 8.901 8.901 7.826 1.075 18864 2492 1 6 . 1 1 78 78 GLY N N 78 117.559 117.559 107.158 10.401 18864 2493 1 6 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.603 0.530 18864 2494 1 6 . 1 1 78 78 GLY H H 78 9.049 9.049 8.427 0.622 18864 2495 1 6 . 1 1 79 79 GLU N N 79 122.304 122.304 120.743 1.561 18864 2496 1 6 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.533 -0.266 18864 2497 1 6 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.319 0.228 18864 2498 1 6 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.429 0.861 18864 2499 1 6 . 1 1 79 79 GLU H H 79 8.093 8.093 7.680 0.413 18864 2500 1 6 . 1 1 80 80 VAL N N 80 122.253 122.253 119.772 2.481 18864 2501 1 6 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.560 0.486 18864 2502 1 6 . 1 1 80 80 VAL CA C 80 60.322 60.322 60.397 -0.075 18864 2503 1 6 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.713 0.844 18864 2504 1 6 . 1 1 80 80 VAL H H 80 8.133 8.133 8.337 -0.204 18864 2505 1 6 . 1 1 81 81 SER N N 81 125.484 125.484 122.690 2.794 18864 2506 1 6 . 1 1 81 81 SER HA H 81 4.346 4.346 4.487 -0.141 18864 2507 1 6 . 1 1 81 81 SER CA C 81 59.316 59.316 57.871 1.444 18864 2508 1 6 . 1 1 81 81 SER CB C 81 65.988 65.988 63.890 2.098 18864 2509 1 6 . 1 1 81 81 SER H H 81 9.927 9.927 8.986 0.941 18864 2510 1 6 . 1 1 82 82 GLU N N 82 116.381 116.381 121.562 -5.181 18864 2511 1 6 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.551 0.072 18864 2512 1 6 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.687 -0.036 18864 2513 1 6 . 1 1 82 82 GLU CB C 82 28.330 28.330 29.164 -0.834 18864 2514 1 6 . 1 1 82 82 GLU H H 82 7.986 7.986 8.554 -0.568 18864 2515 1 6 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.450 0.283 18864 2516 1 6 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.567 0.115 18864 2517 1 6 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.950 -0.508 18864 2518 1 6 . 1 1 84 84 VAL N N 84 127.594 127.594 126.365 1.229 18864 2519 1 6 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.269 0.092 18864 2520 1 6 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.266 0.985 18864 2521 1 6 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.450 3.160 18864 2522 1 6 . 1 1 84 84 VAL H H 84 9.630 9.630 9.118 0.512 18864 2523 1 6 . 1 1 85 85 LYS N N 85 130.184 130.184 129.973 0.211 18864 2524 1 6 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.259 0.021 18864 2525 1 6 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.921 0.240 18864 2526 1 6 . 1 1 85 85 LYS CB C 85 33.684 33.684 32.830 0.854 18864 2527 1 6 . 1 1 85 85 LYS H H 85 8.827 8.827 8.773 0.054 18864 2528 1 6 . 1 1 86 86 SER N N 86 125.071 125.071 120.780 4.291 18864 2529 1 6 . 1 1 86 86 SER HA H 86 4.925 4.925 4.843 0.082 18864 2530 1 6 . 1 1 86 86 SER CA C 86 56.939 56.939 56.968 -0.029 18864 2531 1 6 . 1 1 86 86 SER CB C 86 67.836 67.836 66.347 1.489 18864 2532 1 6 . 1 1 86 86 SER H H 86 9.594 9.594 8.931 0.663 18864 2533 1 6 . 1 1 87 87 GLU N N 87 118.510 118.510 119.480 -0.970 18864 2534 1 6 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.045 0.075 18864 2535 1 6 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.186 -0.101 18864 2536 1 6 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.241 0.139 18864 2537 1 6 . 1 1 87 87 GLU H H 87 9.615 9.615 9.013 0.602 18864 2538 1 6 . 1 1 88 88 PHE N N 88 118.385 118.385 119.073 -0.688 18864 2539 1 6 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.296 0.243 18864 2540 1 6 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.789 -1.288 18864 2541 1 6 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.843 0.316 18864 2542 1 6 . 1 1 88 88 PHE H H 88 8.817 8.817 7.603 1.214 18864 2543 1 6 . 1 1 89 89 GLY N N 89 107.269 107.269 103.684 3.585 18864 2544 1 6 . 1 1 89 89 GLY CA C 89 45.088 45.088 45.016 0.072 18864 2545 1 6 . 1 1 89 89 GLY H H 89 7.405 7.405 7.758 -0.353 18864 2546 1 6 . 1 1 90 90 TYR N N 90 119.181 119.181 120.487 -1.306 18864 2547 1 6 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.419 -0.339 18864 2548 1 6 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.293 0.043 18864 2549 1 6 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.394 1.435 18864 2550 1 6 . 1 1 90 90 TYR H H 90 9.119 9.119 9.096 0.023 18864 2551 1 6 . 1 1 91 91 HIS N N 91 120.399 120.399 122.625 -2.226 18864 2552 1 6 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.781 -0.224 18864 2553 1 6 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.247 0.199 18864 2554 1 6 . 1 1 91 91 HIS CB C 91 31.297 31.297 32.975 -1.678 18864 2555 1 6 . 1 1 91 91 HIS H H 91 9.879 9.879 9.755 0.124 18864 2556 1 6 . 1 1 92 92 VAL N N 92 122.606 122.606 122.923 -0.317 18864 2557 1 6 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.390 -0.403 18864 2558 1 6 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.682 2.246 18864 2559 1 6 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.388 -0.166 18864 2560 1 6 . 1 1 92 92 VAL H H 92 9.102 9.102 9.204 -0.102 18864 2561 1 6 . 1 1 93 93 ILE N N 93 128.087 128.087 128.037 0.050 18864 2562 1 6 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.053 -0.274 18864 2563 1 6 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.872 1.064 18864 2564 1 6 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.620 1.152 18864 2565 1 6 . 1 1 93 93 ILE H H 93 8.623 8.623 9.578 -0.955 18864 2566 1 6 . 1 1 94 94 LYS N N 94 125.877 125.877 127.673 -1.796 18864 2567 1 6 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.218 0.093 18864 2568 1 6 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.770 0.463 18864 2569 1 6 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.121 0.367 18864 2570 1 6 . 1 1 94 94 LYS H H 94 8.881 8.881 9.155 -0.274 18864 2571 1 6 . 1 1 95 95 ARG N N 95 126.274 126.274 126.563 -0.289 18864 2572 1 6 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.319 0.704 18864 2573 1 6 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.125 -0.111 18864 2574 1 6 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.489 -0.732 18864 2575 1 6 . 1 1 95 95 ARG H H 95 7.955 7.955 8.098 -0.143 18864 2576 1 6 . 1 1 96 96 LEU N N 96 129.551 129.551 127.515 2.036 18864 2577 1 6 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.532 0.055 18864 2578 1 6 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.265 1.256 18864 2579 1 6 . 1 1 96 96 LEU CB C 96 44.384 44.384 46.134 -1.750 18864 2580 1 6 . 1 1 96 96 LEU H H 96 9.017 9.017 8.654 0.363 18864 2581 1 7 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.466 0.004 18864 2582 1 7 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.391 0.855 18864 2583 1 7 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.516 -0.127 18864 2584 1 7 . 1 1 3 3 MET HA H 3 4.476 4.476 4.203 0.273 18864 2585 1 7 . 1 1 3 3 MET CA C 3 56.002 56.002 57.582 -1.580 18864 2586 1 7 . 1 1 3 3 MET CB C 3 32.025 32.025 32.428 -0.404 18864 2587 1 7 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.168 0.265 18864 2588 1 7 . 1 1 5 5 SER HA H 5 4.427 4.427 2.708 1.719 18864 2589 1 7 . 1 1 5 5 SER CA C 5 58.631 58.631 59.116 -0.485 18864 2590 1 7 . 1 1 5 5 SER CB C 5 64.117 64.117 62.272 1.845 18864 2591 1 7 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.016 0.409 18864 2592 1 7 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.252 -1.607 18864 2593 1 7 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.342 1.274 18864 2594 1 7 . 1 1 8 8 ASP N N 8 119.103 119.103 118.257 0.846 18864 2595 1 7 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.491 0.130 18864 2596 1 7 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.873 -0.703 18864 2597 1 7 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.033 0.342 18864 2598 1 7 . 1 1 8 8 ASP H H 8 8.353 8.353 8.531 -0.178 18864 2599 1 7 . 1 1 9 9 LYS N N 9 117.781 117.781 117.922 -0.141 18864 2600 1 7 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.523 0.443 18864 2601 1 7 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.886 -0.519 18864 2602 1 7 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.638 2.442 18864 2603 1 7 . 1 1 9 9 LYS H H 9 7.858 7.858 7.388 0.470 18864 2604 1 7 . 1 1 10 10 ILE N N 10 114.675 114.675 121.079 -6.404 18864 2605 1 7 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.123 0.391 18864 2606 1 7 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.787 1.773 18864 2607 1 7 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.619 4.776 18864 2608 1 7 . 1 1 10 10 ILE H H 10 8.254 8.254 8.362 -0.108 18864 2609 1 7 . 1 1 11 11 LYS N N 11 121.626 121.626 128.499 -6.873 18864 2610 1 7 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.671 0.120 18864 2611 1 7 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.669 -2.758 18864 2612 1 7 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.649 1.954 18864 2613 1 7 . 1 1 11 11 LYS H H 11 7.974 7.974 8.843 -0.869 18864 2614 1 7 . 1 1 12 12 CYS N N 12 118.054 118.054 123.422 -5.368 18864 2615 1 7 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.420 0.218 18864 2616 1 7 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.321 0.337 18864 2617 1 7 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.159 2.466 18864 2618 1 7 . 1 1 12 12 CYS H H 12 7.256 7.256 9.528 -2.272 18864 2619 1 7 . 1 1 13 13 SER N N 13 117.042 117.042 115.741 1.301 18864 2620 1 7 . 1 1 13 13 SER HA H 13 5.625 5.625 5.744 -0.119 18864 2621 1 7 . 1 1 13 13 SER CA C 13 56.017 56.017 56.850 -0.833 18864 2622 1 7 . 1 1 13 13 SER CB C 13 66.920 66.920 65.855 1.065 18864 2623 1 7 . 1 1 13 13 SER H H 13 9.186 9.186 9.004 0.182 18864 2624 1 7 . 1 1 14 14 HIS N N 14 119.162 119.162 120.498 -1.336 18864 2625 1 7 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.159 0.251 18864 2626 1 7 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.408 0.186 18864 2627 1 7 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.323 3.300 18864 2628 1 7 . 1 1 14 14 HIS H H 14 9.902 9.902 9.348 0.554 18864 2629 1 7 . 1 1 15 15 ILE N N 15 121.809 121.809 121.550 0.259 18864 2630 1 7 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.085 -0.648 18864 2631 1 7 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.861 2.015 18864 2632 1 7 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.927 -0.134 18864 2633 1 7 . 1 1 15 15 ILE H H 15 8.913 8.913 9.140 -0.227 18864 2634 1 7 . 1 1 16 16 LEU N N 16 129.008 129.008 129.558 -0.550 18864 2635 1 7 . 1 1 16 16 LEU HA H 16 5.018 5.018 4.965 0.053 18864 2636 1 7 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.005 -0.342 18864 2637 1 7 . 1 1 16 16 LEU CB C 16 45.016 45.016 42.186 2.830 18864 2638 1 7 . 1 1 16 16 LEU H H 16 7.632 7.632 8.358 -0.726 18864 2639 1 7 . 1 1 17 17 VAL N N 17 117.991 117.991 120.534 -2.543 18864 2640 1 7 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.662 0.297 18864 2641 1 7 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.533 -0.692 18864 2642 1 7 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.771 0.018 18864 2643 1 7 . 1 1 17 17 VAL H H 17 9.025 9.025 9.249 -0.224 18864 2644 1 7 . 1 1 18 18 LYS N N 18 119.296 119.296 121.147 -1.851 18864 2645 1 7 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.212 0.189 18864 2646 1 7 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.243 0.130 18864 2647 1 7 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.900 1.410 18864 2648 1 7 . 1 1 18 18 LYS H H 18 8.781 8.781 8.581 0.200 18864 2649 1 7 . 1 1 19 19 LYS N N 19 114.107 114.107 118.185 -4.078 18864 2650 1 7 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.408 0.427 18864 2651 1 7 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.569 0.156 18864 2652 1 7 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.479 1.325 18864 2653 1 7 . 1 1 19 19 LYS H H 19 8.023 8.023 7.904 0.119 18864 2654 1 7 . 1 1 20 20 GLN N N 20 125.662 125.662 122.434 3.228 18864 2655 1 7 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.808 1.046 18864 2656 1 7 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.588 -0.153 18864 2657 1 7 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.234 -0.265 18864 2658 1 7 . 1 1 20 20 GLN H H 20 8.795 8.795 8.561 0.234 18864 2659 1 7 . 1 1 21 21 GLY CA C 21 46.997 46.997 47.065 -0.068 18864 2660 1 7 . 1 1 22 22 GLU N N 22 119.712 119.712 122.474 -2.762 18864 2661 1 7 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.013 0.102 18864 2662 1 7 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.496 -1.374 18864 2663 1 7 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.387 0.329 18864 2664 1 7 . 1 1 22 22 GLU H H 22 6.765 6.765 8.350 -1.585 18864 2665 1 7 . 1 1 23 23 ALA N N 23 124.106 124.106 123.013 1.093 18864 2666 1 7 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.980 -0.212 18864 2667 1 7 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.369 -0.464 18864 2668 1 7 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.557 -0.754 18864 2669 1 7 . 1 1 23 23 ALA H H 23 7.461 7.461 8.170 -0.709 18864 2670 1 7 . 1 1 24 24 LEU N N 24 118.772 118.772 119.184 -0.412 18864 2671 1 7 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.873 0.306 18864 2672 1 7 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.926 -0.089 18864 2673 1 7 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.588 -0.384 18864 2674 1 7 . 1 1 24 24 LEU H H 24 7.989 7.989 8.643 -0.654 18864 2675 1 7 . 1 1 25 25 ALA N N 25 121.590 121.590 122.249 -0.659 18864 2676 1 7 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.992 0.204 18864 2677 1 7 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.491 -0.295 18864 2678 1 7 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.179 -0.282 18864 2679 1 7 . 1 1 25 25 ALA H H 25 7.472 7.472 8.431 -0.959 18864 2680 1 7 . 1 1 26 26 VAL N N 26 118.603 118.603 116.407 2.196 18864 2681 1 7 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.603 -0.333 18864 2682 1 7 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.040 1.267 18864 2683 1 7 . 1 1 26 26 VAL CB C 26 31.412 31.412 31.143 0.269 18864 2684 1 7 . 1 1 26 26 VAL H H 26 7.633 7.633 8.095 -0.462 18864 2685 1 7 . 1 1 27 27 GLN N N 27 117.799 117.799 120.379 -2.580 18864 2686 1 7 . 1 1 27 27 GLN HA H 27 3.956 3.956 4.002 -0.046 18864 2687 1 7 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.340 0.959 18864 2688 1 7 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.652 1.168 18864 2689 1 7 . 1 1 27 27 GLN H H 27 8.000 8.000 8.329 -0.329 18864 2690 1 7 . 1 1 28 28 GLU N N 28 118.775 118.775 117.861 0.914 18864 2691 1 7 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.142 -0.125 18864 2692 1 7 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.597 0.978 18864 2693 1 7 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.308 0.302 18864 2694 1 7 . 1 1 28 28 GLU H H 28 8.107 8.107 8.458 -0.351 18864 2695 1 7 . 1 1 29 29 ARG N N 29 121.360 121.360 121.298 0.062 18864 2696 1 7 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.100 0.026 18864 2697 1 7 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.987 1.087 18864 2698 1 7 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.182 1.199 18864 2699 1 7 . 1 1 29 29 ARG H H 29 8.084 8.084 8.119 -0.035 18864 2700 1 7 . 1 1 30 30 LEU N N 30 120.289 120.289 119.218 1.071 18864 2701 1 7 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.252 0.083 18864 2702 1 7 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.649 0.023 18864 2703 1 7 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.142 0.598 18864 2704 1 7 . 1 1 30 30 LEU H H 30 8.379 8.379 8.591 -0.212 18864 2705 1 7 . 1 1 31 31 LYS N N 31 122.554 122.554 118.953 3.601 18864 2706 1 7 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.052 0.001 18864 2707 1 7 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.189 1.240 18864 2708 1 7 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.638 0.681 18864 2709 1 7 . 1 1 31 31 LYS H H 31 8.280 8.280 7.724 0.556 18864 2710 1 7 . 1 1 32 32 ALA N N 32 119.271 119.271 118.711 0.560 18864 2711 1 7 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.196 0.182 18864 2712 1 7 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.033 -0.457 18864 2713 1 7 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.275 -0.454 18864 2714 1 7 . 1 1 32 32 ALA H H 32 7.557 7.557 7.597 -0.040 18864 2715 1 7 . 1 1 33 33 GLY N N 33 105.104 105.104 104.823 0.281 18864 2716 1 7 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.477 0.268 18864 2717 1 7 . 1 1 33 33 GLY H H 33 7.758 7.758 7.711 0.047 18864 2718 1 7 . 1 1 34 34 GLU N N 34 121.024 121.024 120.912 0.112 18864 2719 1 7 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.200 0.079 18864 2720 1 7 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.581 1.591 18864 2721 1 7 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.458 0.278 18864 2722 1 7 . 1 1 34 34 GLU H H 34 7.871 7.871 7.904 -0.033 18864 2723 1 7 . 1 1 35 35 LYS N N 35 121.214 121.214 123.340 -2.126 18864 2724 1 7 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.228 0.037 18864 2725 1 7 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.562 -0.245 18864 2726 1 7 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.703 0.359 18864 2727 1 7 . 1 1 35 35 LYS H H 35 8.776 8.776 8.442 0.334 18864 2728 1 7 . 1 1 36 36 PHE N N 36 125.726 125.726 127.405 -1.679 18864 2729 1 7 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.215 -0.572 18864 2730 1 7 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.180 0.650 18864 2731 1 7 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.380 0.914 18864 2732 1 7 . 1 1 36 36 PHE H H 36 8.972 8.972 9.014 -0.042 18864 2733 1 7 . 1 1 37 37 GLY N N 37 103.959 103.959 105.875 -1.916 18864 2734 1 7 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.120 0.225 18864 2735 1 7 . 1 1 37 37 GLY H H 37 9.123 9.123 8.957 0.166 18864 2736 1 7 . 1 1 38 38 LYS N N 38 120.432 120.432 122.581 -2.149 18864 2737 1 7 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.021 0.037 18864 2738 1 7 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.239 -0.210 18864 2739 1 7 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.329 0.326 18864 2740 1 7 . 1 1 38 38 LYS H H 38 6.683 6.683 7.317 -0.634 18864 2741 1 7 . 1 1 39 39 LEU N N 39 119.598 119.598 119.330 0.268 18864 2742 1 7 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.959 -0.052 18864 2743 1 7 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.437 0.177 18864 2744 1 7 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.419 1.325 18864 2745 1 7 . 1 1 39 39 LEU H H 39 7.754 7.754 7.937 -0.183 18864 2746 1 7 . 1 1 40 40 ALA N N 40 121.385 121.385 122.895 -1.510 18864 2747 1 7 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.953 -0.181 18864 2748 1 7 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.883 0.992 18864 2749 1 7 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.408 -1.223 18864 2750 1 7 . 1 1 40 40 ALA H H 40 8.437 8.437 8.415 0.022 18864 2751 1 7 . 1 1 41 41 LYS N N 41 116.991 116.991 117.362 -0.371 18864 2752 1 7 . 1 1 41 41 LYS HA H 41 3.922 3.922 3.984 -0.062 18864 2753 1 7 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.102 0.657 18864 2754 1 7 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.419 0.192 18864 2755 1 7 . 1 1 41 41 LYS H H 41 7.681 7.681 8.351 -0.670 18864 2756 1 7 . 1 1 42 42 GLU N N 42 117.121 117.121 117.636 -0.515 18864 2757 1 7 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.126 -0.098 18864 2758 1 7 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.747 0.313 18864 2759 1 7 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.228 1.267 18864 2760 1 7 . 1 1 42 42 GLU H H 42 7.796 7.796 8.037 -0.241 18864 2761 1 7 . 1 1 43 43 LEU N N 43 112.754 112.754 112.680 0.074 18864 2762 1 7 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.627 -0.088 18864 2763 1 7 . 1 1 43 43 LEU CA C 43 55.177 55.177 54.270 0.907 18864 2764 1 7 . 1 1 43 43 LEU CB C 43 45.062 45.062 41.517 3.545 18864 2765 1 7 . 1 1 43 43 LEU H H 43 8.305 8.305 8.165 0.140 18864 2766 1 7 . 1 1 44 44 SER N N 44 110.514 110.514 117.167 -6.653 18864 2767 1 7 . 1 1 44 44 SER HA H 44 4.707 4.707 4.372 0.335 18864 2768 1 7 . 1 1 44 44 SER CA C 44 57.490 57.490 60.056 -2.566 18864 2769 1 7 . 1 1 44 44 SER CB C 44 65.461 65.461 63.562 1.899 18864 2770 1 7 . 1 1 44 44 SER H H 44 8.255 8.255 7.535 0.720 18864 2771 1 7 . 1 1 45 45 ILE N N 45 120.438 120.438 116.813 3.625 18864 2772 1 7 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.308 0.111 18864 2773 1 7 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.636 1.223 18864 2774 1 7 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.544 -1.415 18864 2775 1 7 . 1 1 45 45 ILE H H 45 9.238 9.238 8.734 0.504 18864 2776 1 7 . 1 1 46 46 ASP N N 46 120.068 120.068 122.261 -2.193 18864 2777 1 7 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.725 -0.347 18864 2778 1 7 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.104 -0.352 18864 2779 1 7 . 1 1 46 46 ASP CB C 46 40.416 40.416 41.438 -1.022 18864 2780 1 7 . 1 1 46 46 ASP H H 46 7.488 7.488 7.526 -0.038 18864 2781 1 7 . 1 1 47 47 GLY N N 47 114.910 114.910 114.301 0.609 18864 2782 1 7 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.857 0.461 18864 2783 1 7 . 1 1 47 47 GLY H H 47 8.562 8.562 8.450 0.112 18864 2784 1 7 . 1 1 48 48 GLY N N 48 106.725 106.725 109.190 -2.465 18864 2785 1 7 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.206 -0.580 18864 2786 1 7 . 1 1 48 48 GLY H H 48 8.328 8.328 8.220 0.108 18864 2787 1 7 . 1 1 49 49 SER N N 49 110.646 110.646 118.535 -7.889 18864 2788 1 7 . 1 1 49 49 SER HA H 49 4.560 4.560 4.190 0.370 18864 2789 1 7 . 1 1 49 49 SER CA C 49 59.559 59.559 62.086 -2.527 18864 2790 1 7 . 1 1 49 49 SER CB C 49 65.469 65.469 62.995 2.474 18864 2791 1 7 . 1 1 49 49 SER H H 49 7.255 7.255 7.893 -0.638 18864 2792 1 7 . 1 1 50 50 ALA N N 50 130.821 130.821 124.951 5.870 18864 2793 1 7 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.036 -0.210 18864 2794 1 7 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.831 2.039 18864 2795 1 7 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.109 1.276 18864 2796 1 7 . 1 1 50 50 ALA H H 50 8.571 8.571 7.955 0.616 18864 2797 1 7 . 1 1 51 51 LYS N N 51 110.700 110.700 118.674 -7.974 18864 2798 1 7 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.080 0.157 18864 2799 1 7 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.542 -0.955 18864 2800 1 7 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.451 -0.333 18864 2801 1 7 . 1 1 51 51 LYS H H 51 7.761 7.761 8.430 -0.669 18864 2802 1 7 . 1 1 52 52 ARG N N 52 120.280 120.280 118.060 2.220 18864 2803 1 7 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.446 0.341 18864 2804 1 7 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.214 -1.012 18864 2805 1 7 . 1 1 52 52 ARG CB C 52 29.504 29.504 29.902 -0.398 18864 2806 1 7 . 1 1 52 52 ARG H H 52 7.650 7.650 7.962 -0.312 18864 2807 1 7 . 1 1 53 53 ASP N N 53 117.809 117.809 118.492 -0.683 18864 2808 1 7 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.294 0.107 18864 2809 1 7 . 1 1 53 53 ASP CA C 53 56.347 56.347 54.868 1.479 18864 2810 1 7 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.734 -0.112 18864 2811 1 7 . 1 1 53 53 ASP H H 53 8.157 8.157 7.980 0.177 18864 2812 1 7 . 1 1 54 54 GLY N N 54 104.041 104.041 106.107 -2.066 18864 2813 1 7 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.262 -0.634 18864 2814 1 7 . 1 1 54 54 GLY H H 54 8.279 8.279 9.156 -0.877 18864 2815 1 7 . 1 1 55 55 SER N N 55 113.436 113.436 119.035 -5.599 18864 2816 1 7 . 1 1 55 55 SER HA H 55 4.578 4.578 4.368 0.210 18864 2817 1 7 . 1 1 55 55 SER CA C 55 59.851 59.851 58.310 1.541 18864 2818 1 7 . 1 1 55 55 SER CB C 55 64.102 64.102 61.816 2.286 18864 2819 1 7 . 1 1 55 55 SER H H 55 7.524 7.524 8.568 -1.044 18864 2820 1 7 . 1 1 56 56 LEU N N 56 126.328 126.328 122.186 4.142 18864 2821 1 7 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.909 0.582 18864 2822 1 7 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.890 -2.752 18864 2823 1 7 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.005 1.255 18864 2824 1 7 . 1 1 56 56 LEU H H 56 8.818 8.818 8.321 0.497 18864 2825 1 7 . 1 1 57 57 GLY N N 57 107.077 107.077 103.157 3.920 18864 2826 1 7 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.901 0.294 18864 2827 1 7 . 1 1 57 57 GLY H H 57 8.072 8.072 8.037 0.035 18864 2828 1 7 . 1 1 58 58 TYR N N 58 115.734 115.734 121.144 -5.410 18864 2829 1 7 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.165 0.026 18864 2830 1 7 . 1 1 58 58 TYR CA C 58 57.850 57.850 55.153 2.697 18864 2831 1 7 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.486 2.188 18864 2832 1 7 . 1 1 58 58 TYR H H 58 8.348 8.348 7.496 0.852 18864 2833 1 7 . 1 1 59 59 PHE N N 59 118.174 118.174 117.974 0.200 18864 2834 1 7 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.909 0.128 18864 2835 1 7 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.404 -0.089 18864 2836 1 7 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.770 -0.180 18864 2837 1 7 . 1 1 59 59 PHE H H 59 9.136 9.136 8.098 1.038 18864 2838 1 7 . 1 1 60 60 GLY N N 60 106.839 106.839 108.227 -1.388 18864 2839 1 7 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.621 -0.460 18864 2840 1 7 . 1 1 60 60 GLY H H 60 8.594 8.594 8.570 0.024 18864 2841 1 7 . 1 1 61 61 ARG N N 61 119.161 119.161 119.628 -0.467 18864 2842 1 7 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.653 -0.650 18864 2843 1 7 . 1 1 61 61 ARG CA C 61 57.419 57.419 56.869 0.550 18864 2844 1 7 . 1 1 61 61 ARG CB C 61 30.298 30.298 31.015 -0.717 18864 2845 1 7 . 1 1 61 61 ARG H H 61 8.833 8.833 8.571 0.262 18864 2846 1 7 . 1 1 62 62 GLY N N 62 112.714 112.714 114.534 -1.820 18864 2847 1 7 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.315 0.186 18864 2848 1 7 . 1 1 62 62 GLY H H 62 10.418 10.418 10.121 0.296 18864 2849 1 7 . 1 1 63 63 LYS N N 63 120.687 120.687 121.974 -1.287 18864 2850 1 7 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.139 0.247 18864 2851 1 7 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.838 -0.718 18864 2852 1 7 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.561 2.301 18864 2853 1 7 . 1 1 63 63 LYS H H 63 7.706 7.706 8.204 -0.498 18864 2854 1 7 . 1 1 64 64 MET N N 64 117.704 117.704 118.602 -0.898 18864 2855 1 7 . 1 1 64 64 MET HA H 64 4.608 4.608 4.163 0.445 18864 2856 1 7 . 1 1 64 64 MET CA C 64 51.959 51.959 53.801 -1.842 18864 2857 1 7 . 1 1 64 64 MET CB C 64 33.012 33.012 32.571 0.441 18864 2858 1 7 . 1 1 64 64 MET H H 64 9.046 9.046 8.061 0.985 18864 2859 1 7 . 1 1 65 65 VAL N N 65 113.540 113.540 117.376 -3.836 18864 2860 1 7 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.142 0.071 18864 2861 1 7 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.485 0.855 18864 2862 1 7 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.664 0.137 18864 2863 1 7 . 1 1 65 65 VAL H H 65 8.043 8.043 8.027 0.016 18864 2864 1 7 . 1 1 66 66 LYS N N 66 124.592 124.592 127.487 -2.895 18864 2865 1 7 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.436 -0.233 18864 2866 1 7 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.169 0.253 18864 2867 1 7 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.215 0.218 18864 2868 1 7 . 1 1 66 66 LYS H H 66 8.877 8.877 8.981 -0.104 18864 2869 1 7 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.286 0.165 18864 2870 1 7 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.668 0.381 18864 2871 1 7 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.269 -0.018 18864 2872 1 7 . 1 1 68 68 PHE N N 68 115.149 115.149 120.179 -5.030 18864 2873 1 7 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.949 -0.262 18864 2874 1 7 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.908 -1.152 18864 2875 1 7 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.924 1.258 18864 2876 1 7 . 1 1 68 68 PHE H H 68 6.997 6.997 7.876 -0.879 18864 2877 1 7 . 1 1 69 69 GLU N N 69 119.933 119.933 119.226 0.707 18864 2878 1 7 . 1 1 69 69 GLU HA H 69 3.996 3.996 3.674 0.322 18864 2879 1 7 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.660 1.304 18864 2880 1 7 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.332 1.593 18864 2881 1 7 . 1 1 69 69 GLU H H 69 8.562 8.562 8.287 0.275 18864 2882 1 7 . 1 1 70 70 ASP N N 70 116.956 116.956 120.284 -3.328 18864 2883 1 7 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.566 -0.181 18864 2884 1 7 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.548 -0.375 18864 2885 1 7 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.787 -0.599 18864 2886 1 7 . 1 1 70 70 ASP H H 70 9.074 9.074 8.593 0.481 18864 2887 1 7 . 1 1 71 71 ALA N N 71 117.745 117.745 121.571 -3.826 18864 2888 1 7 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.885 0.287 18864 2889 1 7 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.094 -0.779 18864 2890 1 7 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.377 2.125 18864 2891 1 7 . 1 1 71 71 ALA H H 71 6.888 6.888 8.188 -1.300 18864 2892 1 7 . 1 1 72 72 ALA N N 72 120.783 120.783 122.096 -1.313 18864 2893 1 7 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.824 -0.078 18864 2894 1 7 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.650 0.743 18864 2895 1 7 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.478 0.606 18864 2896 1 7 . 1 1 72 72 ALA H H 72 8.860 8.860 7.879 0.981 18864 2897 1 7 . 1 1 73 73 PHE N N 73 110.353 110.353 116.907 -6.554 18864 2898 1 7 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.266 -0.245 18864 2899 1 7 . 1 1 73 73 PHE CA C 73 61.566 61.566 60.848 0.718 18864 2900 1 7 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.255 0.072 18864 2901 1 7 . 1 1 73 73 PHE H H 73 8.275 8.275 7.955 0.320 18864 2902 1 7 . 1 1 74 74 ARG N N 74 116.189 116.189 119.163 -2.974 18864 2903 1 7 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.066 0.408 18864 2904 1 7 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.261 -2.894 18864 2905 1 7 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.234 1.466 18864 2906 1 7 . 1 1 74 74 ARG H H 74 7.047 7.047 8.068 -1.021 18864 2907 1 7 . 1 1 75 75 LEU N N 75 119.425 119.425 118.038 1.387 18864 2908 1 7 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.407 -0.128 18864 2909 1 7 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.624 0.377 18864 2910 1 7 . 1 1 75 75 LEU CB C 75 43.145 43.145 41.124 2.021 18864 2911 1 7 . 1 1 75 75 LEU H H 75 7.033 7.033 8.078 -1.045 18864 2912 1 7 . 1 1 76 76 GLN N N 76 121.205 121.205 118.762 2.443 18864 2913 1 7 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.978 0.429 18864 2914 1 7 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.527 -4.068 18864 2915 1 7 . 1 1 76 76 GLN CB C 76 29.620 29.620 27.992 1.628 18864 2916 1 7 . 1 1 76 76 GLN H H 76 9.087 9.087 7.559 1.528 18864 2917 1 7 . 1 1 77 77 VAL N N 77 121.809 121.809 116.634 5.175 18864 2918 1 7 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.878 0.525 18864 2919 1 7 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.566 4.017 18864 2920 1 7 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.633 -4.018 18864 2921 1 7 . 1 1 77 77 VAL H H 77 8.901 8.901 7.567 1.334 18864 2922 1 7 . 1 1 78 78 GLY N N 78 117.559 117.559 105.553 12.006 18864 2923 1 7 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.545 0.588 18864 2924 1 7 . 1 1 78 78 GLY H H 78 9.049 9.049 8.528 0.521 18864 2925 1 7 . 1 1 79 79 GLU N N 79 122.304 122.304 120.129 2.175 18864 2926 1 7 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.546 -0.279 18864 2927 1 7 . 1 1 79 79 GLU CA C 79 56.547 56.547 55.024 1.523 18864 2928 1 7 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.744 0.547 18864 2929 1 7 . 1 1 79 79 GLU H H 79 8.093 8.093 7.649 0.444 18864 2930 1 7 . 1 1 80 80 VAL N N 80 122.253 122.253 120.372 1.881 18864 2931 1 7 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.527 0.519 18864 2932 1 7 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.309 -0.987 18864 2933 1 7 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.890 0.667 18864 2934 1 7 . 1 1 80 80 VAL H H 80 8.133 8.133 8.286 -0.153 18864 2935 1 7 . 1 1 81 81 SER N N 81 125.484 125.484 123.859 1.625 18864 2936 1 7 . 1 1 81 81 SER HA H 81 4.346 4.346 4.428 -0.082 18864 2937 1 7 . 1 1 81 81 SER CA C 81 59.316 59.316 58.158 1.158 18864 2938 1 7 . 1 1 81 81 SER CB C 81 65.988 65.988 64.072 1.916 18864 2939 1 7 . 1 1 81 81 SER H H 81 9.927 9.927 8.935 0.992 18864 2940 1 7 . 1 1 82 82 GLU N N 82 116.381 116.381 120.677 -4.296 18864 2941 1 7 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.361 0.262 18864 2942 1 7 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.679 -0.028 18864 2943 1 7 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.971 -0.641 18864 2944 1 7 . 1 1 82 82 GLU H H 82 7.986 7.986 8.575 -0.589 18864 2945 1 7 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.532 0.201 18864 2946 1 7 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.455 0.227 18864 2947 1 7 . 1 1 83 83 PRO CB C 83 31.442 31.442 32.035 -0.593 18864 2948 1 7 . 1 1 84 84 VAL N N 84 127.594 127.594 125.777 1.817 18864 2949 1 7 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.377 -0.016 18864 2950 1 7 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.611 0.639 18864 2951 1 7 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.918 0.692 18864 2952 1 7 . 1 1 84 84 VAL H H 84 9.630 9.630 9.032 0.598 18864 2953 1 7 . 1 1 85 85 LYS N N 85 130.184 130.184 129.462 0.722 18864 2954 1 7 . 1 1 85 85 LYS HA H 85 4.280 4.280 5.118 -0.838 18864 2955 1 7 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.093 1.068 18864 2956 1 7 . 1 1 85 85 LYS CB C 85 33.684 33.684 34.345 -0.661 18864 2957 1 7 . 1 1 85 85 LYS H H 85 8.827 8.827 8.761 0.066 18864 2958 1 7 . 1 1 86 86 SER N N 86 125.071 125.071 122.220 2.851 18864 2959 1 7 . 1 1 86 86 SER HA H 86 4.925 4.925 4.923 0.002 18864 2960 1 7 . 1 1 86 86 SER CA C 86 56.939 56.939 56.808 0.131 18864 2961 1 7 . 1 1 86 86 SER CB C 86 67.836 67.836 66.046 1.790 18864 2962 1 7 . 1 1 86 86 SER H H 86 9.594 9.594 9.009 0.585 18864 2963 1 7 . 1 1 87 87 GLU N N 87 118.510 118.510 119.535 -1.025 18864 2964 1 7 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.086 0.034 18864 2965 1 7 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.083 0.002 18864 2966 1 7 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.253 0.127 18864 2967 1 7 . 1 1 87 87 GLU H H 87 9.615 9.615 8.944 0.671 18864 2968 1 7 . 1 1 88 88 PHE N N 88 118.385 118.385 119.585 -1.200 18864 2969 1 7 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.219 0.320 18864 2970 1 7 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.996 -1.495 18864 2971 1 7 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.726 0.433 18864 2972 1 7 . 1 1 88 88 PHE H H 88 8.817 8.817 8.297 0.520 18864 2973 1 7 . 1 1 89 89 GLY N N 89 107.269 107.269 103.792 3.477 18864 2974 1 7 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.634 0.454 18864 2975 1 7 . 1 1 89 89 GLY H H 89 7.405 7.405 7.377 0.028 18864 2976 1 7 . 1 1 90 90 TYR N N 90 119.181 119.181 121.757 -2.576 18864 2977 1 7 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.793 -0.713 18864 2978 1 7 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.179 0.157 18864 2979 1 7 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.558 1.271 18864 2980 1 7 . 1 1 90 90 TYR H H 90 9.119 9.119 8.182 0.937 18864 2981 1 7 . 1 1 91 91 HIS N N 91 120.399 120.399 121.870 -1.471 18864 2982 1 7 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.646 -0.089 18864 2983 1 7 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.003 0.443 18864 2984 1 7 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.044 -1.747 18864 2985 1 7 . 1 1 91 91 HIS H H 91 9.879 9.879 9.835 0.044 18864 2986 1 7 . 1 1 92 92 VAL N N 92 122.606 122.606 122.486 0.120 18864 2987 1 7 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.449 -0.462 18864 2988 1 7 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.951 1.977 18864 2989 1 7 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.729 -0.507 18864 2990 1 7 . 1 1 92 92 VAL H H 92 9.102 9.102 9.240 -0.138 18864 2991 1 7 . 1 1 93 93 ILE N N 93 128.087 128.087 128.563 -0.476 18864 2992 1 7 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.082 -0.303 18864 2993 1 7 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.772 1.165 18864 2994 1 7 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.499 1.273 18864 2995 1 7 . 1 1 93 93 ILE H H 93 8.623 8.623 9.664 -1.041 18864 2996 1 7 . 1 1 94 94 LYS N N 94 125.877 125.877 128.227 -2.350 18864 2997 1 7 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.896 0.415 18864 2998 1 7 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.663 0.570 18864 2999 1 7 . 1 1 94 94 LYS CB C 94 36.488 36.488 34.558 1.930 18864 3000 1 7 . 1 1 94 94 LYS H H 94 8.881 8.881 8.991 -0.110 18864 3001 1 7 . 1 1 95 95 ARG N N 95 126.274 126.274 127.060 -0.786 18864 3002 1 7 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.216 0.807 18864 3003 1 7 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.556 -0.542 18864 3004 1 7 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.235 -1.478 18864 3005 1 7 . 1 1 95 95 ARG H H 95 7.955 7.955 8.184 -0.229 18864 3006 1 7 . 1 1 96 96 LEU N N 96 129.551 129.551 128.090 1.461 18864 3007 1 7 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.566 0.021 18864 3008 1 7 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.809 0.712 18864 3009 1 7 . 1 1 96 96 LEU CB C 96 44.384 44.384 45.052 -0.668 18864 3010 1 7 . 1 1 96 96 LEU H H 96 9.017 9.017 8.633 0.384 18864 3011 1 8 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.524 -0.054 18864 3012 1 8 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.474 0.772 18864 3013 1 8 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.326 0.062 18864 3014 1 8 . 1 1 3 3 MET HA H 3 4.476 4.476 4.322 0.154 18864 3015 1 8 . 1 1 3 3 MET CA C 3 56.002 56.002 56.600 -0.598 18864 3016 1 8 . 1 1 3 3 MET CB C 3 32.025 32.025 32.580 -0.555 18864 3017 1 8 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.041 0.392 18864 3018 1 8 . 1 1 5 5 SER HA H 5 4.427 4.427 4.578 -0.151 18864 3019 1 8 . 1 1 5 5 SER CA C 5 58.631 58.631 58.326 0.305 18864 3020 1 8 . 1 1 5 5 SER CB C 5 64.117 64.117 64.088 0.028 18864 3021 1 8 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.274 0.151 18864 3022 1 8 . 1 1 7 7 ALA CA C 7 52.645 52.645 51.869 0.776 18864 3023 1 8 . 1 1 7 7 ALA CB C 7 19.616 19.616 16.789 2.827 18864 3024 1 8 . 1 1 8 8 ASP N N 8 119.103 119.103 120.727 -1.624 18864 3025 1 8 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.493 0.128 18864 3026 1 8 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.180 -1.010 18864 3027 1 8 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.031 0.345 18864 3028 1 8 . 1 1 8 8 ASP H H 8 8.353 8.353 8.742 -0.389 18864 3029 1 8 . 1 1 9 9 LYS N N 9 117.781 117.781 118.702 -0.921 18864 3030 1 8 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.557 0.409 18864 3031 1 8 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.260 0.107 18864 3032 1 8 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.067 2.013 18864 3033 1 8 . 1 1 9 9 LYS H H 9 7.858 7.858 7.782 0.076 18864 3034 1 8 . 1 1 10 10 ILE N N 10 114.675 114.675 121.907 -7.232 18864 3035 1 8 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.907 0.607 18864 3036 1 8 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.846 1.714 18864 3037 1 8 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.774 4.621 18864 3038 1 8 . 1 1 10 10 ILE H H 10 8.254 8.254 8.571 -0.317 18864 3039 1 8 . 1 1 11 11 LYS N N 11 121.626 121.626 127.837 -6.211 18864 3040 1 8 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.251 0.540 18864 3041 1 8 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.302 -2.391 18864 3042 1 8 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.676 1.927 18864 3043 1 8 . 1 1 11 11 LYS H H 11 7.974 7.974 8.520 -0.546 18864 3044 1 8 . 1 1 12 12 CYS N N 12 118.054 118.054 123.908 -5.854 18864 3045 1 8 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.291 0.347 18864 3046 1 8 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.485 0.173 18864 3047 1 8 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.576 2.049 18864 3048 1 8 . 1 1 12 12 CYS H H 12 7.256 7.256 9.118 -1.862 18864 3049 1 8 . 1 1 13 13 SER N N 13 117.042 117.042 116.414 0.628 18864 3050 1 8 . 1 1 13 13 SER HA H 13 5.625 5.625 5.818 -0.193 18864 3051 1 8 . 1 1 13 13 SER CA C 13 56.017 56.017 57.353 -1.336 18864 3052 1 8 . 1 1 13 13 SER CB C 13 66.920 66.920 65.913 1.007 18864 3053 1 8 . 1 1 13 13 SER H H 13 9.186 9.186 9.040 0.146 18864 3054 1 8 . 1 1 14 14 HIS N N 14 119.162 119.162 120.908 -1.746 18864 3055 1 8 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.110 0.300 18864 3056 1 8 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.264 0.330 18864 3057 1 8 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.004 3.619 18864 3058 1 8 . 1 1 14 14 HIS H H 14 9.902 9.902 9.316 0.586 18864 3059 1 8 . 1 1 15 15 ILE N N 15 121.809 121.809 122.177 -0.368 18864 3060 1 8 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.119 -0.682 18864 3061 1 8 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.603 2.273 18864 3062 1 8 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.388 0.405 18864 3063 1 8 . 1 1 15 15 ILE H H 15 8.913 8.913 9.094 -0.181 18864 3064 1 8 . 1 1 16 16 LEU N N 16 129.008 129.008 130.136 -1.128 18864 3065 1 8 . 1 1 16 16 LEU HA H 16 5.018 5.018 4.948 0.070 18864 3066 1 8 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.545 -0.882 18864 3067 1 8 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.691 1.325 18864 3068 1 8 . 1 1 16 16 LEU H H 16 7.632 7.632 8.320 -0.688 18864 3069 1 8 . 1 1 17 17 VAL N N 17 117.991 117.991 121.169 -3.178 18864 3070 1 8 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.592 0.367 18864 3071 1 8 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.532 -0.691 18864 3072 1 8 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.897 -0.108 18864 3073 1 8 . 1 1 17 17 VAL H H 17 9.025 9.025 9.216 -0.191 18864 3074 1 8 . 1 1 18 18 LYS N N 18 119.296 119.296 121.586 -2.290 18864 3075 1 8 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.152 0.249 18864 3076 1 8 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.073 0.300 18864 3077 1 8 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.906 1.404 18864 3078 1 8 . 1 1 18 18 LYS H H 18 8.781 8.781 8.510 0.271 18864 3079 1 8 . 1 1 19 19 LYS N N 19 114.107 114.107 118.328 -4.221 18864 3080 1 8 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.480 0.355 18864 3081 1 8 . 1 1 19 19 LYS CA C 19 54.725 54.725 53.998 0.727 18864 3082 1 8 . 1 1 19 19 LYS CB C 19 35.804 35.804 33.996 1.808 18864 3083 1 8 . 1 1 19 19 LYS H H 19 8.023 8.023 8.335 -0.312 18864 3084 1 8 . 1 1 20 20 GLN N N 20 125.662 125.662 122.362 3.300 18864 3085 1 8 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.890 0.964 18864 3086 1 8 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.497 -0.062 18864 3087 1 8 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.485 -0.516 18864 3088 1 8 . 1 1 20 20 GLN H H 20 8.795 8.795 8.686 0.109 18864 3089 1 8 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.918 0.079 18864 3090 1 8 . 1 1 22 22 GLU N N 22 119.712 119.712 122.549 -2.837 18864 3091 1 8 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.020 0.095 18864 3092 1 8 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.529 -1.407 18864 3093 1 8 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.376 0.340 18864 3094 1 8 . 1 1 22 22 GLU H H 22 6.765 6.765 8.369 -1.604 18864 3095 1 8 . 1 1 23 23 ALA N N 23 124.106 124.106 123.305 0.801 18864 3096 1 8 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.965 -0.197 18864 3097 1 8 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.542 -0.637 18864 3098 1 8 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.372 -0.570 18864 3099 1 8 . 1 1 23 23 ALA H H 23 7.461 7.461 7.971 -0.510 18864 3100 1 8 . 1 1 24 24 LEU N N 24 118.772 118.772 119.021 -0.249 18864 3101 1 8 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.998 0.181 18864 3102 1 8 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.768 0.069 18864 3103 1 8 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.769 0.435 18864 3104 1 8 . 1 1 24 24 LEU H H 24 7.989 7.989 8.295 -0.306 18864 3105 1 8 . 1 1 25 25 ALA N N 25 121.590 121.590 122.742 -1.152 18864 3106 1 8 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.985 0.211 18864 3107 1 8 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.605 -0.409 18864 3108 1 8 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.257 -0.360 18864 3109 1 8 . 1 1 25 25 ALA H H 25 7.472 7.472 8.569 -1.097 18864 3110 1 8 . 1 1 26 26 VAL N N 26 118.603 118.603 116.514 2.089 18864 3111 1 8 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.609 -0.339 18864 3112 1 8 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.535 1.772 18864 3113 1 8 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.066 1.346 18864 3114 1 8 . 1 1 26 26 VAL H H 26 7.633 7.633 8.473 -0.840 18864 3115 1 8 . 1 1 27 27 GLN N N 27 117.799 117.799 120.656 -2.857 18864 3116 1 8 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.997 -0.041 18864 3117 1 8 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.483 0.816 18864 3118 1 8 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.468 1.352 18864 3119 1 8 . 1 1 27 27 GLN H H 27 8.000 8.000 8.299 -0.299 18864 3120 1 8 . 1 1 28 28 GLU N N 28 118.775 118.775 118.763 0.012 18864 3121 1 8 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.077 -0.060 18864 3122 1 8 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.895 0.680 18864 3123 1 8 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.251 0.359 18864 3124 1 8 . 1 1 28 28 GLU H H 28 8.107 8.107 8.593 -0.486 18864 3125 1 8 . 1 1 29 29 ARG N N 29 121.360 121.360 120.746 0.614 18864 3126 1 8 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.064 0.062 18864 3127 1 8 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.199 0.875 18864 3128 1 8 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.136 1.245 18864 3129 1 8 . 1 1 29 29 ARG H H 29 8.084 8.084 8.103 -0.019 18864 3130 1 8 . 1 1 30 30 LEU N N 30 120.289 120.289 119.104 1.185 18864 3131 1 8 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.407 -0.072 18864 3132 1 8 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.800 -0.128 18864 3133 1 8 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.169 0.572 18864 3134 1 8 . 1 1 30 30 LEU H H 30 8.379 8.379 8.666 -0.287 18864 3135 1 8 . 1 1 31 31 LYS N N 31 122.554 122.554 119.136 3.418 18864 3136 1 8 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.083 -0.030 18864 3137 1 8 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.395 1.034 18864 3138 1 8 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.434 0.885 18864 3139 1 8 . 1 1 31 31 LYS H H 31 8.280 8.280 7.849 0.431 18864 3140 1 8 . 1 1 32 32 ALA N N 32 119.271 119.271 119.033 0.238 18864 3141 1 8 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.250 0.128 18864 3142 1 8 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.642 -0.066 18864 3143 1 8 . 1 1 32 32 ALA CB C 32 18.821 18.821 18.896 -0.075 18864 3144 1 8 . 1 1 32 32 ALA H H 32 7.557 7.557 7.357 0.200 18864 3145 1 8 . 1 1 33 33 GLY N N 33 105.104 105.104 105.306 -0.202 18864 3146 1 8 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.610 0.135 18864 3147 1 8 . 1 1 33 33 GLY H H 33 7.758 7.758 7.776 -0.018 18864 3148 1 8 . 1 1 34 34 GLU N N 34 121.024 121.024 121.201 -0.177 18864 3149 1 8 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.312 -0.033 18864 3150 1 8 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.829 1.343 18864 3151 1 8 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.573 0.163 18864 3152 1 8 . 1 1 34 34 GLU H H 34 7.871 7.871 7.727 0.144 18864 3153 1 8 . 1 1 35 35 LYS N N 35 121.214 121.214 122.337 -1.123 18864 3154 1 8 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.338 -0.073 18864 3155 1 8 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.283 0.034 18864 3156 1 8 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.104 -0.042 18864 3157 1 8 . 1 1 35 35 LYS H H 35 8.776 8.776 8.561 0.215 18864 3158 1 8 . 1 1 36 36 PHE N N 36 125.726 125.726 125.389 0.337 18864 3159 1 8 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.192 -0.549 18864 3160 1 8 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.319 0.511 18864 3161 1 8 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.012 1.283 18864 3162 1 8 . 1 1 36 36 PHE H H 36 8.972 8.972 8.990 -0.018 18864 3163 1 8 . 1 1 37 37 GLY N N 37 103.959 103.959 106.418 -2.459 18864 3164 1 8 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.923 0.422 18864 3165 1 8 . 1 1 37 37 GLY H H 37 9.123 9.123 8.672 0.451 18864 3166 1 8 . 1 1 38 38 LYS N N 38 120.432 120.432 122.646 -2.214 18864 3167 1 8 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.041 0.017 18864 3168 1 8 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.111 -0.082 18864 3169 1 8 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.333 0.322 18864 3170 1 8 . 1 1 38 38 LYS H H 38 6.683 6.683 8.026 -1.343 18864 3171 1 8 . 1 1 39 39 LEU N N 39 119.598 119.598 119.236 0.362 18864 3172 1 8 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.055 -0.148 18864 3173 1 8 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.716 -0.102 18864 3174 1 8 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.525 1.219 18864 3175 1 8 . 1 1 39 39 LEU H H 39 7.754 7.754 8.183 -0.429 18864 3176 1 8 . 1 1 40 40 ALA N N 40 121.385 121.385 122.805 -1.420 18864 3177 1 8 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.969 -0.197 18864 3178 1 8 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.640 1.235 18864 3179 1 8 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.438 -1.253 18864 3180 1 8 . 1 1 40 40 ALA H H 40 8.437 8.437 8.255 0.182 18864 3181 1 8 . 1 1 41 41 LYS N N 41 116.991 116.991 116.652 0.339 18864 3182 1 8 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.059 -0.137 18864 3183 1 8 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.299 0.460 18864 3184 1 8 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.648 -0.036 18864 3185 1 8 . 1 1 41 41 LYS H H 41 7.681 7.681 8.121 -0.440 18864 3186 1 8 . 1 1 42 42 GLU N N 42 117.121 117.121 117.363 -0.242 18864 3187 1 8 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.133 -0.105 18864 3188 1 8 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.500 0.560 18864 3189 1 8 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.338 1.157 18864 3190 1 8 . 1 1 42 42 GLU H H 42 7.796 7.796 8.106 -0.310 18864 3191 1 8 . 1 1 43 43 LEU N N 43 112.754 112.754 118.293 -5.539 18864 3192 1 8 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.514 0.025 18864 3193 1 8 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.336 -0.159 18864 3194 1 8 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.781 1.281 18864 3195 1 8 . 1 1 43 43 LEU H H 43 8.305 8.305 8.174 0.131 18864 3196 1 8 . 1 1 44 44 SER N N 44 110.514 110.514 115.864 -5.350 18864 3197 1 8 . 1 1 44 44 SER HA H 44 4.707 4.707 4.392 0.315 18864 3198 1 8 . 1 1 44 44 SER CA C 44 57.490 57.490 59.559 -2.069 18864 3199 1 8 . 1 1 44 44 SER CB C 44 65.461 65.461 63.712 1.749 18864 3200 1 8 . 1 1 44 44 SER H H 44 8.255 8.255 7.581 0.674 18864 3201 1 8 . 1 1 45 45 ILE N N 45 120.438 120.438 117.207 3.231 18864 3202 1 8 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.162 0.257 18864 3203 1 8 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.863 0.996 18864 3204 1 8 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.076 -0.947 18864 3205 1 8 . 1 1 45 45 ILE H H 45 9.238 9.238 8.435 0.803 18864 3206 1 8 . 1 1 46 46 ASP N N 46 120.068 120.068 122.213 -2.145 18864 3207 1 8 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.690 -0.312 18864 3208 1 8 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.894 -0.142 18864 3209 1 8 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.463 -0.047 18864 3210 1 8 . 1 1 46 46 ASP H H 46 7.488 7.488 7.726 -0.238 18864 3211 1 8 . 1 1 47 47 GLY N N 47 114.910 114.910 113.374 1.536 18864 3212 1 8 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.070 0.248 18864 3213 1 8 . 1 1 47 47 GLY H H 47 8.562 8.562 8.055 0.507 18864 3214 1 8 . 1 1 48 48 GLY N N 48 106.725 106.725 109.957 -3.232 18864 3215 1 8 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.103 -0.477 18864 3216 1 8 . 1 1 48 48 GLY H H 48 8.328 8.328 8.210 0.118 18864 3217 1 8 . 1 1 49 49 SER N N 49 110.646 110.646 118.325 -7.679 18864 3218 1 8 . 1 1 49 49 SER HA H 49 4.560 4.560 4.298 0.262 18864 3219 1 8 . 1 1 49 49 SER CA C 49 59.559 59.559 61.667 -2.108 18864 3220 1 8 . 1 1 49 49 SER CB C 49 65.469 65.469 63.307 2.162 18864 3221 1 8 . 1 1 49 49 SER H H 49 7.255 7.255 8.657 -1.402 18864 3222 1 8 . 1 1 50 50 ALA N N 50 130.821 130.821 125.512 5.309 18864 3223 1 8 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.110 -0.284 18864 3224 1 8 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.941 1.929 18864 3225 1 8 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.113 1.272 18864 3226 1 8 . 1 1 50 50 ALA H H 50 8.571 8.571 8.408 0.163 18864 3227 1 8 . 1 1 51 51 LYS N N 51 110.700 110.700 118.599 -7.899 18864 3228 1 8 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.011 0.226 18864 3229 1 8 . 1 1 51 51 LYS CA C 51 57.587 57.587 59.341 -1.754 18864 3230 1 8 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.559 -0.441 18864 3231 1 8 . 1 1 51 51 LYS H H 51 7.761 7.761 8.683 -0.922 18864 3232 1 8 . 1 1 52 52 ARG N N 52 120.280 120.280 117.729 2.551 18864 3233 1 8 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.458 0.329 18864 3234 1 8 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.503 -1.301 18864 3235 1 8 . 1 1 52 52 ARG CB C 52 29.504 29.504 29.920 -0.416 18864 3236 1 8 . 1 1 52 52 ARG H H 52 7.650 7.650 7.521 0.129 18864 3237 1 8 . 1 1 53 53 ASP N N 53 117.809 117.809 117.178 0.631 18864 3238 1 8 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.356 0.045 18864 3239 1 8 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.088 1.259 18864 3240 1 8 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.172 0.451 18864 3241 1 8 . 1 1 53 53 ASP H H 53 8.157 8.157 8.420 -0.263 18864 3242 1 8 . 1 1 54 54 GLY N N 54 104.041 104.041 104.464 -0.423 18864 3243 1 8 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.284 -0.656 18864 3244 1 8 . 1 1 54 54 GLY H H 54 8.279 8.279 9.124 -0.845 18864 3245 1 8 . 1 1 55 55 SER N N 55 113.436 113.436 118.664 -5.228 18864 3246 1 8 . 1 1 55 55 SER HA H 55 4.578 4.578 4.469 0.109 18864 3247 1 8 . 1 1 55 55 SER CA C 55 59.851 59.851 58.633 1.218 18864 3248 1 8 . 1 1 55 55 SER CB C 55 64.102 64.102 62.120 1.982 18864 3249 1 8 . 1 1 55 55 SER H H 55 7.524 7.524 7.974 -0.450 18864 3250 1 8 . 1 1 56 56 LEU N N 56 126.328 126.328 125.094 1.234 18864 3251 1 8 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.030 0.461 18864 3252 1 8 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.826 -2.688 18864 3253 1 8 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.168 1.092 18864 3254 1 8 . 1 1 56 56 LEU H H 56 8.818 8.818 8.156 0.662 18864 3255 1 8 . 1 1 57 57 GLY N N 57 107.077 107.077 104.217 2.860 18864 3256 1 8 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.649 0.546 18864 3257 1 8 . 1 1 57 57 GLY H H 57 8.072 8.072 7.844 0.228 18864 3258 1 8 . 1 1 58 58 TYR N N 58 115.734 115.734 121.439 -5.705 18864 3259 1 8 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.653 0.538 18864 3260 1 8 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.151 -0.301 18864 3261 1 8 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.865 1.809 18864 3262 1 8 . 1 1 58 58 TYR H H 58 8.348 8.348 8.386 -0.038 18864 3263 1 8 . 1 1 59 59 PHE N N 59 118.174 118.174 120.051 -1.877 18864 3264 1 8 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.016 0.021 18864 3265 1 8 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.205 0.110 18864 3266 1 8 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.836 -0.246 18864 3267 1 8 . 1 1 59 59 PHE H H 59 9.136 9.136 8.128 1.008 18864 3268 1 8 . 1 1 60 60 GLY N N 60 106.839 106.839 108.356 -1.517 18864 3269 1 8 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.351 -0.190 18864 3270 1 8 . 1 1 60 60 GLY H H 60 8.594 8.594 8.639 -0.045 18864 3271 1 8 . 1 1 61 61 ARG N N 61 119.161 119.161 119.697 -0.536 18864 3272 1 8 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.286 -0.283 18864 3273 1 8 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.639 -0.220 18864 3274 1 8 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.755 -0.457 18864 3275 1 8 . 1 1 61 61 ARG H H 61 8.833 8.833 8.614 0.219 18864 3276 1 8 . 1 1 62 62 GLY N N 62 112.714 112.714 112.570 0.144 18864 3277 1 8 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.154 0.347 18864 3278 1 8 . 1 1 62 62 GLY H H 62 10.418 10.418 9.999 0.419 18864 3279 1 8 . 1 1 63 63 LYS N N 63 120.687 120.687 120.039 0.648 18864 3280 1 8 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.315 0.071 18864 3281 1 8 . 1 1 63 63 LYS CA C 63 57.120 57.120 56.645 0.475 18864 3282 1 8 . 1 1 63 63 LYS CB C 63 34.862 34.862 33.105 1.757 18864 3283 1 8 . 1 1 63 63 LYS H H 63 7.706 7.706 8.087 -0.381 18864 3284 1 8 . 1 1 64 64 MET N N 64 117.704 117.704 117.567 0.137 18864 3285 1 8 . 1 1 64 64 MET HA H 64 4.608 4.608 4.441 0.167 18864 3286 1 8 . 1 1 64 64 MET CA C 64 51.959 51.959 52.564 -0.605 18864 3287 1 8 . 1 1 64 64 MET CB C 64 33.012 33.012 34.591 -1.579 18864 3288 1 8 . 1 1 64 64 MET H H 64 9.046 9.046 7.655 1.391 18864 3289 1 8 . 1 1 65 65 VAL N N 65 113.540 113.540 118.911 -5.371 18864 3290 1 8 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.231 -0.018 18864 3291 1 8 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.048 1.292 18864 3292 1 8 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.511 -0.710 18864 3293 1 8 . 1 1 65 65 VAL H H 65 8.043 8.043 8.148 -0.105 18864 3294 1 8 . 1 1 66 66 LYS N N 66 124.592 124.592 126.335 -1.743 18864 3295 1 8 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.119 0.084 18864 3296 1 8 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.027 0.395 18864 3297 1 8 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.350 0.083 18864 3298 1 8 . 1 1 66 66 LYS H H 66 8.877 8.877 8.980 -0.103 18864 3299 1 8 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.303 0.148 18864 3300 1 8 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.653 0.396 18864 3301 1 8 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.276 -0.025 18864 3302 1 8 . 1 1 68 68 PHE N N 68 115.149 115.149 120.327 -5.178 18864 3303 1 8 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.054 -0.367 18864 3304 1 8 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.863 -1.107 18864 3305 1 8 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.999 1.183 18864 3306 1 8 . 1 1 68 68 PHE H H 68 6.997 6.997 7.656 -0.659 18864 3307 1 8 . 1 1 69 69 GLU N N 69 119.933 119.933 119.223 0.710 18864 3308 1 8 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.277 -0.281 18864 3309 1 8 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.020 0.944 18864 3310 1 8 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.557 1.368 18864 3311 1 8 . 1 1 69 69 GLU H H 69 8.562 8.562 8.753 -0.191 18864 3312 1 8 . 1 1 70 70 ASP N N 70 116.956 116.956 120.552 -3.596 18864 3313 1 8 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.425 -0.040 18864 3314 1 8 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.595 -0.422 18864 3315 1 8 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.739 -0.551 18864 3316 1 8 . 1 1 70 70 ASP H H 70 9.074 9.074 8.564 0.510 18864 3317 1 8 . 1 1 71 71 ALA N N 71 117.745 117.745 121.294 -3.549 18864 3318 1 8 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.074 0.098 18864 3319 1 8 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.119 -0.804 18864 3320 1 8 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.161 2.341 18864 3321 1 8 . 1 1 71 71 ALA H H 71 6.888 6.888 8.164 -1.276 18864 3322 1 8 . 1 1 72 72 ALA N N 72 120.783 120.783 122.231 -1.448 18864 3323 1 8 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.862 -0.116 18864 3324 1 8 . 1 1 72 72 ALA CA C 72 55.393 55.393 55.051 0.342 18864 3325 1 8 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.801 0.283 18864 3326 1 8 . 1 1 72 72 ALA H H 72 8.860 8.860 7.927 0.933 18864 3327 1 8 . 1 1 73 73 PHE N N 73 110.353 110.353 116.387 -6.034 18864 3328 1 8 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.187 -0.166 18864 3329 1 8 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.842 -0.276 18864 3330 1 8 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.924 -0.597 18864 3331 1 8 . 1 1 73 73 PHE H H 73 8.275 8.275 8.556 -0.281 18864 3332 1 8 . 1 1 74 74 ARG N N 74 116.189 116.189 119.443 -3.254 18864 3333 1 8 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.170 0.304 18864 3334 1 8 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.166 -2.799 18864 3335 1 8 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.556 1.144 18864 3336 1 8 . 1 1 74 74 ARG H H 74 7.047 7.047 8.312 -1.265 18864 3337 1 8 . 1 1 75 75 LEU N N 75 119.425 119.425 118.631 0.794 18864 3338 1 8 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.567 -0.288 18864 3339 1 8 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.476 1.525 18864 3340 1 8 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.463 2.682 18864 3341 1 8 . 1 1 75 75 LEU H H 75 7.033 7.033 8.243 -1.210 18864 3342 1 8 . 1 1 76 76 GLN N N 76 121.205 121.205 120.395 0.810 18864 3343 1 8 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.832 0.575 18864 3344 1 8 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.147 -4.688 18864 3345 1 8 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.268 1.352 18864 3346 1 8 . 1 1 76 76 GLN H H 76 9.087 9.087 7.776 1.311 18864 3347 1 8 . 1 1 77 77 VAL N N 77 121.809 121.809 117.214 4.595 18864 3348 1 8 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.728 0.675 18864 3349 1 8 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.888 2.695 18864 3350 1 8 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.326 -2.709 18864 3351 1 8 . 1 1 77 77 VAL H H 77 8.901 8.901 8.114 0.787 18864 3352 1 8 . 1 1 78 78 GLY N N 78 117.559 117.559 106.563 10.996 18864 3353 1 8 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.513 0.620 18864 3354 1 8 . 1 1 78 78 GLY H H 78 9.049 9.049 8.148 0.901 18864 3355 1 8 . 1 1 79 79 GLU N N 79 122.304 122.304 121.162 1.142 18864 3356 1 8 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.239 0.028 18864 3357 1 8 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.513 0.035 18864 3358 1 8 . 1 1 79 79 GLU CB C 79 32.290 32.290 30.778 1.512 18864 3359 1 8 . 1 1 79 79 GLU H H 79 8.093 8.093 8.130 -0.037 18864 3360 1 8 . 1 1 80 80 VAL N N 80 122.253 122.253 123.209 -0.956 18864 3361 1 8 . 1 1 80 80 VAL HA H 80 5.046 5.046 3.969 1.077 18864 3362 1 8 . 1 1 80 80 VAL CA C 80 60.322 60.322 62.499 -2.177 18864 3363 1 8 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.270 1.287 18864 3364 1 8 . 1 1 80 80 VAL H H 80 8.133 8.133 8.437 -0.304 18864 3365 1 8 . 1 1 81 81 SER N N 81 125.484 125.484 123.274 2.210 18864 3366 1 8 . 1 1 81 81 SER HA H 81 4.346 4.346 4.461 -0.115 18864 3367 1 8 . 1 1 81 81 SER CA C 81 59.316 59.316 57.842 1.474 18864 3368 1 8 . 1 1 81 81 SER CB C 81 65.988 65.988 64.131 1.857 18864 3369 1 8 . 1 1 81 81 SER H H 81 9.927 9.927 8.932 0.995 18864 3370 1 8 . 1 1 82 82 GLU N N 82 116.381 116.381 120.758 -4.377 18864 3371 1 8 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.449 0.174 18864 3372 1 8 . 1 1 82 82 GLU CA C 82 55.651 55.651 56.102 -0.451 18864 3373 1 8 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.781 -0.451 18864 3374 1 8 . 1 1 82 82 GLU H H 82 7.986 7.986 8.554 -0.568 18864 3375 1 8 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.483 0.250 18864 3376 1 8 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.507 0.175 18864 3377 1 8 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.836 -0.394 18864 3378 1 8 . 1 1 84 84 VAL N N 84 127.594 127.594 126.711 0.883 18864 3379 1 8 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.335 0.026 18864 3380 1 8 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.431 0.820 18864 3381 1 8 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.794 2.816 18864 3382 1 8 . 1 1 84 84 VAL H H 84 9.630 9.630 9.333 0.297 18864 3383 1 8 . 1 1 85 85 LYS N N 85 130.184 130.184 130.568 -0.384 18864 3384 1 8 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.190 0.090 18864 3385 1 8 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.405 -0.244 18864 3386 1 8 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.554 0.130 18864 3387 1 8 . 1 1 85 85 LYS H H 85 8.827 8.827 8.918 -0.091 18864 3388 1 8 . 1 1 86 86 SER N N 86 125.071 125.071 121.396 3.675 18864 3389 1 8 . 1 1 86 86 SER HA H 86 4.925 4.925 4.797 0.128 18864 3390 1 8 . 1 1 86 86 SER CA C 86 56.939 56.939 56.901 0.037 18864 3391 1 8 . 1 1 86 86 SER CB C 86 67.836 67.836 66.442 1.394 18864 3392 1 8 . 1 1 86 86 SER H H 86 9.594 9.594 8.479 1.115 18864 3393 1 8 . 1 1 87 87 GLU N N 87 118.510 118.510 119.306 -0.796 18864 3394 1 8 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.007 0.113 18864 3395 1 8 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.395 -0.310 18864 3396 1 8 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.117 0.263 18864 3397 1 8 . 1 1 87 87 GLU H H 87 9.615 9.615 8.866 0.749 18864 3398 1 8 . 1 1 88 88 PHE N N 88 118.385 118.385 118.238 0.147 18864 3399 1 8 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.338 0.201 18864 3400 1 8 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.663 -1.162 18864 3401 1 8 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.672 0.487 18864 3402 1 8 . 1 1 88 88 PHE H H 88 8.817 8.817 7.971 0.846 18864 3403 1 8 . 1 1 89 89 GLY N N 89 107.269 107.269 104.064 3.205 18864 3404 1 8 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.699 0.389 18864 3405 1 8 . 1 1 89 89 GLY H H 89 7.405 7.405 7.944 -0.539 18864 3406 1 8 . 1 1 90 90 TYR N N 90 119.181 119.181 121.130 -1.949 18864 3407 1 8 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.587 -0.507 18864 3408 1 8 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.339 -0.003 18864 3409 1 8 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.354 1.475 18864 3410 1 8 . 1 1 90 90 TYR H H 90 9.119 9.119 7.837 1.282 18864 3411 1 8 . 1 1 91 91 HIS N N 91 120.399 120.399 121.644 -1.245 18864 3412 1 8 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.786 -0.229 18864 3413 1 8 . 1 1 91 91 HIS CA C 91 54.446 54.446 53.669 0.777 18864 3414 1 8 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.556 -2.259 18864 3415 1 8 . 1 1 91 91 HIS H H 91 9.879 9.879 9.719 0.160 18864 3416 1 8 . 1 1 92 92 VAL N N 92 122.606 122.606 121.652 0.954 18864 3417 1 8 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.474 -0.487 18864 3418 1 8 . 1 1 92 92 VAL CA C 92 63.928 63.928 62.142 1.786 18864 3419 1 8 . 1 1 92 92 VAL CB C 92 33.222 33.222 32.437 0.785 18864 3420 1 8 . 1 1 92 92 VAL H H 92 9.102 9.102 9.327 -0.225 18864 3421 1 8 . 1 1 93 93 ILE N N 93 128.087 128.087 128.610 -0.523 18864 3422 1 8 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.014 -0.235 18864 3423 1 8 . 1 1 93 93 ILE CA C 93 60.936 60.936 60.065 0.871 18864 3424 1 8 . 1 1 93 93 ILE CB C 93 41.772 41.772 39.867 1.905 18864 3425 1 8 . 1 1 93 93 ILE H H 93 8.623 8.623 9.523 -0.900 18864 3426 1 8 . 1 1 94 94 LYS N N 94 125.877 125.877 128.472 -2.595 18864 3427 1 8 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.882 0.429 18864 3428 1 8 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.667 0.566 18864 3429 1 8 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.051 0.437 18864 3430 1 8 . 1 1 94 94 LYS H H 94 8.881 8.881 9.080 -0.199 18864 3431 1 8 . 1 1 95 95 ARG N N 95 126.274 126.274 124.858 1.416 18864 3432 1 8 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.273 0.750 18864 3433 1 8 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.005 0.009 18864 3434 1 8 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.910 -1.153 18864 3435 1 8 . 1 1 95 95 ARG H H 95 7.955 7.955 8.180 -0.225 18864 3436 1 8 . 1 1 96 96 LEU N N 96 129.551 129.551 127.448 2.103 18864 3437 1 8 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.339 0.248 18864 3438 1 8 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.995 0.526 18864 3439 1 8 . 1 1 96 96 LEU CB C 96 44.384 44.384 43.842 0.542 18864 3440 1 8 . 1 1 96 96 LEU H H 96 9.017 9.017 8.718 0.299 18864 3441 1 9 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.455 0.015 18864 3442 1 9 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.552 0.694 18864 3443 1 9 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.410 -0.022 18864 3444 1 9 . 1 1 3 3 MET HA H 3 4.476 4.476 4.253 0.223 18864 3445 1 9 . 1 1 3 3 MET CA C 3 56.002 56.002 57.441 -1.439 18864 3446 1 9 . 1 1 3 3 MET CB C 3 32.025 32.025 32.477 -0.452 18864 3447 1 9 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.847 0.586 18864 3448 1 9 . 1 1 5 5 SER HA H 5 4.427 4.427 4.472 -0.045 18864 3449 1 9 . 1 1 5 5 SER CA C 5 58.631 58.631 59.001 -0.370 18864 3450 1 9 . 1 1 5 5 SER CB C 5 64.117 64.117 62.915 1.202 18864 3451 1 9 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.566 -0.141 18864 3452 1 9 . 1 1 7 7 ALA CA C 7 52.645 52.645 51.830 0.816 18864 3453 1 9 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.617 0.999 18864 3454 1 9 . 1 1 8 8 ASP N N 8 119.103 119.103 117.445 1.658 18864 3455 1 9 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.464 0.157 18864 3456 1 9 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.729 -0.559 18864 3457 1 9 . 1 1 8 8 ASP CB C 8 41.375 41.375 40.283 1.092 18864 3458 1 9 . 1 1 8 8 ASP H H 8 8.353 8.353 8.480 -0.127 18864 3459 1 9 . 1 1 9 9 LYS N N 9 117.781 117.781 118.814 -1.033 18864 3460 1 9 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.594 0.372 18864 3461 1 9 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.705 -0.337 18864 3462 1 9 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.246 1.834 18864 3463 1 9 . 1 1 9 9 LYS H H 9 7.858 7.858 7.398 0.460 18864 3464 1 9 . 1 1 10 10 ILE N N 10 114.675 114.675 121.059 -6.384 18864 3465 1 9 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.021 0.493 18864 3466 1 9 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.886 -0.326 18864 3467 1 9 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.583 3.812 18864 3468 1 9 . 1 1 10 10 ILE H H 10 8.254 8.254 8.352 -0.098 18864 3469 1 9 . 1 1 11 11 LYS N N 11 121.626 121.626 128.101 -6.475 18864 3470 1 9 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.646 0.145 18864 3471 1 9 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.027 -2.116 18864 3472 1 9 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.926 1.677 18864 3473 1 9 . 1 1 11 11 LYS H H 11 7.974 7.974 8.683 -0.709 18864 3474 1 9 . 1 1 12 12 CYS N N 12 118.054 118.054 123.251 -5.197 18864 3475 1 9 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.152 0.486 18864 3476 1 9 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.111 0.547 18864 3477 1 9 . 1 1 12 12 CYS CB C 12 33.625 33.625 30.927 2.698 18864 3478 1 9 . 1 1 12 12 CYS H H 12 7.256 7.256 9.277 -2.021 18864 3479 1 9 . 1 1 13 13 SER N N 13 117.042 117.042 115.728 1.314 18864 3480 1 9 . 1 1 13 13 SER HA H 13 5.625 5.625 5.838 -0.213 18864 3481 1 9 . 1 1 13 13 SER CA C 13 56.017 56.017 57.251 -1.234 18864 3482 1 9 . 1 1 13 13 SER CB C 13 66.920 66.920 65.861 1.059 18864 3483 1 9 . 1 1 13 13 SER H H 13 9.186 9.186 9.043 0.143 18864 3484 1 9 . 1 1 14 14 HIS N N 14 119.162 119.162 119.907 -0.745 18864 3485 1 9 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.207 0.203 18864 3486 1 9 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.228 0.366 18864 3487 1 9 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.107 3.516 18864 3488 1 9 . 1 1 14 14 HIS H H 14 9.902 9.902 9.326 0.576 18864 3489 1 9 . 1 1 15 15 ILE N N 15 121.809 121.809 121.649 0.160 18864 3490 1 9 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.086 -0.649 18864 3491 1 9 . 1 1 15 15 ILE CA C 15 61.876 61.876 60.018 1.858 18864 3492 1 9 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.215 0.577 18864 3493 1 9 . 1 1 15 15 ILE H H 15 8.913 8.913 9.149 -0.236 18864 3494 1 9 . 1 1 16 16 LEU N N 16 129.008 129.008 130.168 -1.160 18864 3495 1 9 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.080 -0.062 18864 3496 1 9 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.409 -0.746 18864 3497 1 9 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.417 1.599 18864 3498 1 9 . 1 1 16 16 LEU H H 16 7.632 7.632 8.323 -0.691 18864 3499 1 9 . 1 1 17 17 VAL N N 17 117.991 117.991 119.780 -1.789 18864 3500 1 9 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.713 0.246 18864 3501 1 9 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.279 -0.438 18864 3502 1 9 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.419 -0.630 18864 3503 1 9 . 1 1 17 17 VAL H H 17 9.025 9.025 9.269 -0.244 18864 3504 1 9 . 1 1 18 18 LYS N N 18 119.296 119.296 120.804 -1.508 18864 3505 1 9 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.200 0.201 18864 3506 1 9 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.193 0.180 18864 3507 1 9 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.957 1.353 18864 3508 1 9 . 1 1 18 18 LYS H H 18 8.781 8.781 8.462 0.319 18864 3509 1 9 . 1 1 19 19 LYS N N 19 114.107 114.107 118.297 -4.190 18864 3510 1 9 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.547 0.288 18864 3511 1 9 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.629 0.096 18864 3512 1 9 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.605 1.199 18864 3513 1 9 . 1 1 19 19 LYS H H 19 8.023 8.023 7.713 0.310 18864 3514 1 9 . 1 1 20 20 GLN N N 20 125.662 125.662 122.135 3.527 18864 3515 1 9 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.599 1.255 18864 3516 1 9 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.485 -0.050 18864 3517 1 9 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.129 -0.160 18864 3518 1 9 . 1 1 20 20 GLN H H 20 8.795 8.795 8.701 0.094 18864 3519 1 9 . 1 1 21 21 GLY CA C 21 46.997 46.997 47.036 -0.039 18864 3520 1 9 . 1 1 22 22 GLU N N 22 119.712 119.712 122.596 -2.884 18864 3521 1 9 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.970 0.145 18864 3522 1 9 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.236 -1.114 18864 3523 1 9 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.329 0.387 18864 3524 1 9 . 1 1 22 22 GLU H H 22 6.765 6.765 7.383 -0.618 18864 3525 1 9 . 1 1 23 23 ALA N N 23 124.106 124.106 122.945 1.161 18864 3526 1 9 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.965 -0.197 18864 3527 1 9 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.401 -0.496 18864 3528 1 9 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.538 -0.735 18864 3529 1 9 . 1 1 23 23 ALA H H 23 7.461 7.461 8.136 -0.675 18864 3530 1 9 . 1 1 24 24 LEU N N 24 118.772 118.772 119.096 -0.324 18864 3531 1 9 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.884 0.295 18864 3532 1 9 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.913 -0.076 18864 3533 1 9 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.531 -0.327 18864 3534 1 9 . 1 1 24 24 LEU H H 24 7.989 7.989 8.615 -0.626 18864 3535 1 9 . 1 1 25 25 ALA N N 25 121.590 121.590 122.408 -0.818 18864 3536 1 9 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.976 0.220 18864 3537 1 9 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.522 -0.326 18864 3538 1 9 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.143 -0.246 18864 3539 1 9 . 1 1 25 25 ALA H H 25 7.472 7.472 8.571 -1.099 18864 3540 1 9 . 1 1 26 26 VAL N N 26 118.603 118.603 116.903 1.700 18864 3541 1 9 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.647 -0.377 18864 3542 1 9 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.506 1.801 18864 3543 1 9 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.110 1.302 18864 3544 1 9 . 1 1 26 26 VAL H H 26 7.633 7.633 8.061 -0.428 18864 3545 1 9 . 1 1 27 27 GLN N N 27 117.799 117.799 120.516 -2.717 18864 3546 1 9 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.999 -0.043 18864 3547 1 9 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.698 0.601 18864 3548 1 9 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.555 1.265 18864 3549 1 9 . 1 1 27 27 GLN H H 27 8.000 8.000 8.565 -0.565 18864 3550 1 9 . 1 1 28 28 GLU N N 28 118.775 118.775 119.591 -0.816 18864 3551 1 9 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.124 -0.107 18864 3552 1 9 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.880 0.695 18864 3553 1 9 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.195 0.415 18864 3554 1 9 . 1 1 28 28 GLU H H 28 8.107 8.107 8.687 -0.580 18864 3555 1 9 . 1 1 29 29 ARG N N 29 121.360 121.360 121.035 0.325 18864 3556 1 9 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.083 0.043 18864 3557 1 9 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.145 0.929 18864 3558 1 9 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.005 1.376 18864 3559 1 9 . 1 1 29 29 ARG H H 29 8.084 8.084 7.899 0.185 18864 3560 1 9 . 1 1 30 30 LEU N N 30 120.289 120.289 119.360 0.929 18864 3561 1 9 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.210 0.125 18864 3562 1 9 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.929 -0.257 18864 3563 1 9 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.068 0.672 18864 3564 1 9 . 1 1 30 30 LEU H H 30 8.379 8.379 8.631 -0.252 18864 3565 1 9 . 1 1 31 31 LYS N N 31 122.554 122.554 118.793 3.761 18864 3566 1 9 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.048 0.005 18864 3567 1 9 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.451 0.978 18864 3568 1 9 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.228 1.091 18864 3569 1 9 . 1 1 31 31 LYS H H 31 8.280 8.280 7.583 0.697 18864 3570 1 9 . 1 1 32 32 ALA N N 32 119.271 119.271 119.869 -0.598 18864 3571 1 9 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.272 0.106 18864 3572 1 9 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.342 0.234 18864 3573 1 9 . 1 1 32 32 ALA CB C 32 18.821 18.821 18.807 0.014 18864 3574 1 9 . 1 1 32 32 ALA H H 32 7.557 7.557 7.586 -0.029 18864 3575 1 9 . 1 1 33 33 GLY N N 33 105.104 105.104 105.864 -0.760 18864 3576 1 9 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.653 0.092 18864 3577 1 9 . 1 1 33 33 GLY H H 33 7.758 7.758 7.970 -0.212 18864 3578 1 9 . 1 1 34 34 GLU N N 34 121.024 121.024 120.745 0.279 18864 3579 1 9 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.236 0.043 18864 3580 1 9 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.819 1.353 18864 3581 1 9 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.546 0.190 18864 3582 1 9 . 1 1 34 34 GLU H H 34 7.871 7.871 7.661 0.210 18864 3583 1 9 . 1 1 35 35 LYS N N 35 121.214 121.214 122.700 -1.486 18864 3584 1 9 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.243 0.022 18864 3585 1 9 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.825 -0.508 18864 3586 1 9 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.939 0.123 18864 3587 1 9 . 1 1 35 35 LYS H H 35 8.776 8.776 8.507 0.269 18864 3588 1 9 . 1 1 36 36 PHE N N 36 125.726 125.726 126.456 -0.730 18864 3589 1 9 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.216 -0.573 18864 3590 1 9 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.446 0.384 18864 3591 1 9 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.382 0.913 18864 3592 1 9 . 1 1 36 36 PHE H H 36 8.972 8.972 9.033 -0.061 18864 3593 1 9 . 1 1 37 37 GLY N N 37 103.959 103.959 106.626 -2.667 18864 3594 1 9 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.238 0.107 18864 3595 1 9 . 1 1 37 37 GLY H H 37 9.123 9.123 8.970 0.154 18864 3596 1 9 . 1 1 38 38 LYS N N 38 120.432 120.432 121.402 -0.970 18864 3597 1 9 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.018 0.040 18864 3598 1 9 . 1 1 38 38 LYS CA C 38 59.029 59.029 58.939 0.090 18864 3599 1 9 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.186 0.469 18864 3600 1 9 . 1 1 38 38 LYS H H 38 6.683 6.683 7.650 -0.967 18864 3601 1 9 . 1 1 39 39 LEU N N 39 119.598 119.598 119.342 0.256 18864 3602 1 9 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.945 -0.038 18864 3603 1 9 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.410 0.204 18864 3604 1 9 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.328 1.416 18864 3605 1 9 . 1 1 39 39 LEU H H 39 7.754 7.754 8.001 -0.247 18864 3606 1 9 . 1 1 40 40 ALA N N 40 121.385 121.385 122.913 -1.528 18864 3607 1 9 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.973 -0.201 18864 3608 1 9 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.871 1.004 18864 3609 1 9 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.442 -1.257 18864 3610 1 9 . 1 1 40 40 ALA H H 40 8.437 8.437 8.368 0.069 18864 3611 1 9 . 1 1 41 41 LYS N N 41 116.991 116.991 118.844 -1.853 18864 3612 1 9 . 1 1 41 41 LYS HA H 41 3.922 3.922 3.998 -0.076 18864 3613 1 9 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.094 0.665 18864 3614 1 9 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.451 0.160 18864 3615 1 9 . 1 1 41 41 LYS H H 41 7.681 7.681 8.417 -0.736 18864 3616 1 9 . 1 1 42 42 GLU N N 42 117.121 117.121 118.212 -1.091 18864 3617 1 9 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.132 -0.104 18864 3618 1 9 . 1 1 42 42 GLU CA C 42 59.060 59.060 59.066 -0.006 18864 3619 1 9 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.169 1.327 18864 3620 1 9 . 1 1 42 42 GLU H H 42 7.796 7.796 8.102 -0.306 18864 3621 1 9 . 1 1 43 43 LEU N N 43 112.754 112.754 113.019 -0.265 18864 3622 1 9 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.708 -0.169 18864 3623 1 9 . 1 1 43 43 LEU CA C 43 55.177 55.177 54.711 0.466 18864 3624 1 9 . 1 1 43 43 LEU CB C 43 45.062 45.062 42.404 2.658 18864 3625 1 9 . 1 1 43 43 LEU H H 43 8.305 8.305 7.826 0.479 18864 3626 1 9 . 1 1 44 44 SER N N 44 110.514 110.514 117.083 -6.569 18864 3627 1 9 . 1 1 44 44 SER HA H 44 4.707 4.707 4.513 0.194 18864 3628 1 9 . 1 1 44 44 SER CA C 44 57.490 57.490 59.789 -2.299 18864 3629 1 9 . 1 1 44 44 SER CB C 44 65.461 65.461 63.691 1.770 18864 3630 1 9 . 1 1 44 44 SER H H 44 8.255 8.255 7.487 0.768 18864 3631 1 9 . 1 1 45 45 ILE N N 45 120.438 120.438 116.613 3.825 18864 3632 1 9 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.241 0.178 18864 3633 1 9 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.955 0.904 18864 3634 1 9 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.289 -1.160 18864 3635 1 9 . 1 1 45 45 ILE H H 45 9.238 9.238 8.788 0.450 18864 3636 1 9 . 1 1 46 46 ASP N N 46 120.068 120.068 122.205 -2.137 18864 3637 1 9 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.655 -0.277 18864 3638 1 9 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.816 -0.064 18864 3639 1 9 . 1 1 46 46 ASP CB C 46 40.416 40.416 41.110 -0.694 18864 3640 1 9 . 1 1 46 46 ASP H H 46 7.488 7.488 7.515 -0.027 18864 3641 1 9 . 1 1 47 47 GLY N N 47 114.910 114.910 113.933 0.977 18864 3642 1 9 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.030 0.288 18864 3643 1 9 . 1 1 47 47 GLY H H 47 8.562 8.562 8.231 0.331 18864 3644 1 9 . 1 1 48 48 GLY N N 48 106.725 106.725 109.463 -2.738 18864 3645 1 9 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.053 -0.427 18864 3646 1 9 . 1 1 48 48 GLY H H 48 8.328 8.328 8.131 0.197 18864 3647 1 9 . 1 1 49 49 SER N N 49 110.646 110.646 118.578 -7.932 18864 3648 1 9 . 1 1 49 49 SER HA H 49 4.560 4.560 4.195 0.365 18864 3649 1 9 . 1 1 49 49 SER CA C 49 59.559 59.559 62.075 -2.516 18864 3650 1 9 . 1 1 49 49 SER CB C 49 65.469 65.469 63.027 2.442 18864 3651 1 9 . 1 1 49 49 SER H H 49 7.255 7.255 8.214 -0.959 18864 3652 1 9 . 1 1 50 50 ALA N N 50 130.821 130.821 125.398 5.423 18864 3653 1 9 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.081 -0.255 18864 3654 1 9 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.162 1.708 18864 3655 1 9 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.102 1.283 18864 3656 1 9 . 1 1 50 50 ALA H H 50 8.571 8.571 8.142 0.429 18864 3657 1 9 . 1 1 51 51 LYS N N 51 110.700 110.700 118.611 -7.911 18864 3658 1 9 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.067 0.170 18864 3659 1 9 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.954 -1.367 18864 3660 1 9 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.403 -0.285 18864 3661 1 9 . 1 1 51 51 LYS H H 51 7.761 7.761 8.376 -0.615 18864 3662 1 9 . 1 1 52 52 ARG N N 52 120.280 120.280 118.102 2.178 18864 3663 1 9 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.434 0.353 18864 3664 1 9 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.587 -1.385 18864 3665 1 9 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.262 -0.757 18864 3666 1 9 . 1 1 52 52 ARG H H 52 7.650 7.650 8.121 -0.471 18864 3667 1 9 . 1 1 53 53 ASP N N 53 117.809 117.809 118.655 -0.846 18864 3668 1 9 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.450 -0.049 18864 3669 1 9 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.725 0.622 18864 3670 1 9 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.550 -0.928 18864 3671 1 9 . 1 1 53 53 ASP H H 53 8.157 8.157 7.863 0.294 18864 3672 1 9 . 1 1 54 54 GLY N N 54 104.041 104.041 103.865 0.176 18864 3673 1 9 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.090 -0.462 18864 3674 1 9 . 1 1 54 54 GLY H H 54 8.279 8.279 8.984 -0.705 18864 3675 1 9 . 1 1 55 55 SER N N 55 113.436 113.436 118.275 -4.839 18864 3676 1 9 . 1 1 55 55 SER HA H 55 4.578 4.578 4.262 0.316 18864 3677 1 9 . 1 1 55 55 SER CA C 55 59.851 59.851 58.657 1.194 18864 3678 1 9 . 1 1 55 55 SER CB C 55 64.102 64.102 62.013 2.090 18864 3679 1 9 . 1 1 55 55 SER H H 55 7.524 7.524 8.353 -0.829 18864 3680 1 9 . 1 1 56 56 LEU N N 56 126.328 126.328 124.216 2.112 18864 3681 1 9 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.898 0.593 18864 3682 1 9 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.910 -2.772 18864 3683 1 9 . 1 1 56 56 LEU CB C 56 43.260 43.260 41.953 1.307 18864 3684 1 9 . 1 1 56 56 LEU H H 56 8.818 8.818 8.337 0.481 18864 3685 1 9 . 1 1 57 57 GLY N N 57 107.077 107.077 103.867 3.210 18864 3686 1 9 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.503 0.692 18864 3687 1 9 . 1 1 57 57 GLY H H 57 8.072 8.072 7.998 0.073 18864 3688 1 9 . 1 1 58 58 TYR N N 58 115.734 115.734 119.767 -4.033 18864 3689 1 9 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.819 0.372 18864 3690 1 9 . 1 1 58 58 TYR CA C 58 57.850 57.850 56.117 1.733 18864 3691 1 9 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.142 2.533 18864 3692 1 9 . 1 1 58 58 TYR H H 58 8.348 8.348 6.868 1.480 18864 3693 1 9 . 1 1 59 59 PHE N N 59 118.174 118.174 119.706 -1.532 18864 3694 1 9 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.938 0.099 18864 3695 1 9 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.334 -0.019 18864 3696 1 9 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.669 -0.079 18864 3697 1 9 . 1 1 59 59 PHE H H 59 9.136 9.136 8.069 1.067 18864 3698 1 9 . 1 1 60 60 GLY N N 60 106.839 106.839 108.211 -1.372 18864 3699 1 9 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.375 -0.214 18864 3700 1 9 . 1 1 60 60 GLY H H 60 8.594 8.594 8.658 -0.064 18864 3701 1 9 . 1 1 61 61 ARG N N 61 119.161 119.161 119.492 -0.331 18864 3702 1 9 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.273 -0.270 18864 3703 1 9 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.228 0.191 18864 3704 1 9 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.780 -0.482 18864 3705 1 9 . 1 1 61 61 ARG H H 61 8.833 8.833 8.699 0.134 18864 3706 1 9 . 1 1 62 62 GLY N N 62 112.714 112.714 112.024 0.690 18864 3707 1 9 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.337 0.164 18864 3708 1 9 . 1 1 62 62 GLY H H 62 10.418 10.418 10.065 0.353 18864 3709 1 9 . 1 1 63 63 LYS N N 63 120.687 120.687 120.362 0.325 18864 3710 1 9 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.100 0.286 18864 3711 1 9 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.882 -0.762 18864 3712 1 9 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.739 2.123 18864 3713 1 9 . 1 1 63 63 LYS H H 63 7.706 7.706 7.841 -0.135 18864 3714 1 9 . 1 1 64 64 MET N N 64 117.704 117.704 116.533 1.171 18864 3715 1 9 . 1 1 64 64 MET HA H 64 4.608 4.608 4.221 0.387 18864 3716 1 9 . 1 1 64 64 MET CA C 64 51.959 51.959 52.379 -0.420 18864 3717 1 9 . 1 1 64 64 MET CB C 64 33.012 33.012 33.357 -0.345 18864 3718 1 9 . 1 1 64 64 MET H H 64 9.046 9.046 7.687 1.359 18864 3719 1 9 . 1 1 65 65 VAL N N 65 113.540 113.540 119.077 -5.537 18864 3720 1 9 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.964 0.249 18864 3721 1 9 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.121 0.219 18864 3722 1 9 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.470 0.331 18864 3723 1 9 . 1 1 65 65 VAL H H 65 8.043 8.043 8.112 -0.069 18864 3724 1 9 . 1 1 66 66 LYS N N 66 124.592 124.592 126.123 -1.531 18864 3725 1 9 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.318 -0.115 18864 3726 1 9 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.344 0.078 18864 3727 1 9 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.834 0.600 18864 3728 1 9 . 1 1 66 66 LYS H H 66 8.877 8.877 8.920 -0.043 18864 3729 1 9 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.313 0.138 18864 3730 1 9 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.648 0.401 18864 3731 1 9 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.329 -0.078 18864 3732 1 9 . 1 1 68 68 PHE N N 68 115.149 115.149 120.279 -5.130 18864 3733 1 9 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.035 -0.348 18864 3734 1 9 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.885 -1.129 18864 3735 1 9 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.990 1.192 18864 3736 1 9 . 1 1 68 68 PHE H H 68 6.997 6.997 8.127 -1.130 18864 3737 1 9 . 1 1 69 69 GLU N N 69 119.933 119.933 119.309 0.624 18864 3738 1 9 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.034 -0.038 18864 3739 1 9 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.054 0.910 18864 3740 1 9 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.587 1.338 18864 3741 1 9 . 1 1 69 69 GLU H H 69 8.562 8.562 8.410 0.152 18864 3742 1 9 . 1 1 70 70 ASP N N 70 116.956 116.956 120.250 -3.294 18864 3743 1 9 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.501 -0.116 18864 3744 1 9 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.596 -0.423 18864 3745 1 9 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.763 -0.575 18864 3746 1 9 . 1 1 70 70 ASP H H 70 9.074 9.074 8.623 0.451 18864 3747 1 9 . 1 1 71 71 ALA N N 71 117.745 117.745 121.695 -3.950 18864 3748 1 9 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.934 0.238 18864 3749 1 9 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.224 -0.909 18864 3750 1 9 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.447 2.055 18864 3751 1 9 . 1 1 71 71 ALA H H 71 6.888 6.888 8.012 -1.124 18864 3752 1 9 . 1 1 72 72 ALA N N 72 120.783 120.783 121.935 -1.152 18864 3753 1 9 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.802 -0.056 18864 3754 1 9 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.855 0.538 18864 3755 1 9 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.584 0.500 18864 3756 1 9 . 1 1 72 72 ALA H H 72 8.860 8.860 7.949 0.911 18864 3757 1 9 . 1 1 73 73 PHE N N 73 110.353 110.353 116.181 -5.828 18864 3758 1 9 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.130 -0.109 18864 3759 1 9 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.971 -0.405 18864 3760 1 9 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.717 -0.390 18864 3761 1 9 . 1 1 73 73 PHE H H 73 8.275 8.275 8.329 -0.054 18864 3762 1 9 . 1 1 74 74 ARG N N 74 116.189 116.189 118.866 -2.677 18864 3763 1 9 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.096 0.378 18864 3764 1 9 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.286 -2.919 18864 3765 1 9 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.620 1.080 18864 3766 1 9 . 1 1 74 74 ARG H H 74 7.047 7.047 8.235 -1.188 18864 3767 1 9 . 1 1 75 75 LEU N N 75 119.425 119.425 118.542 0.883 18864 3768 1 9 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.558 -0.279 18864 3769 1 9 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.584 1.417 18864 3770 1 9 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.468 2.677 18864 3771 1 9 . 1 1 75 75 LEU H H 75 7.033 7.033 8.052 -1.019 18864 3772 1 9 . 1 1 76 76 GLN N N 76 121.205 121.205 120.595 0.610 18864 3773 1 9 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.918 0.489 18864 3774 1 9 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.114 -4.655 18864 3775 1 9 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.301 1.319 18864 3776 1 9 . 1 1 76 76 GLN H H 76 9.087 9.087 7.765 1.322 18864 3777 1 9 . 1 1 77 77 VAL N N 77 121.809 121.809 117.823 3.986 18864 3778 1 9 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.716 0.687 18864 3779 1 9 . 1 1 77 77 VAL CA C 77 67.583 67.583 65.177 2.406 18864 3780 1 9 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.692 -3.076 18864 3781 1 9 . 1 1 77 77 VAL H H 77 8.901 8.901 8.011 0.890 18864 3782 1 9 . 1 1 78 78 GLY N N 78 117.559 117.559 106.037 11.522 18864 3783 1 9 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.767 0.366 18864 3784 1 9 . 1 1 78 78 GLY H H 78 9.049 9.049 8.356 0.693 18864 3785 1 9 . 1 1 79 79 GLU N N 79 122.304 122.304 120.853 1.451 18864 3786 1 9 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.339 -0.072 18864 3787 1 9 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.500 0.047 18864 3788 1 9 . 1 1 79 79 GLU CB C 79 32.290 32.290 30.630 1.660 18864 3789 1 9 . 1 1 79 79 GLU H H 79 8.093 8.093 7.530 0.563 18864 3790 1 9 . 1 1 80 80 VAL N N 80 122.253 122.253 120.758 1.495 18864 3791 1 9 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.376 0.670 18864 3792 1 9 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.538 -1.216 18864 3793 1 9 . 1 1 80 80 VAL CB C 80 33.557 33.557 31.405 2.151 18864 3794 1 9 . 1 1 80 80 VAL H H 80 8.133 8.133 8.412 -0.279 18864 3795 1 9 . 1 1 81 81 SER N N 81 125.484 125.484 123.509 1.975 18864 3796 1 9 . 1 1 81 81 SER HA H 81 4.346 4.346 4.469 -0.123 18864 3797 1 9 . 1 1 81 81 SER CA C 81 59.316 59.316 57.748 1.568 18864 3798 1 9 . 1 1 81 81 SER CB C 81 65.988 65.988 63.944 2.044 18864 3799 1 9 . 1 1 81 81 SER H H 81 9.927 9.927 8.972 0.955 18864 3800 1 9 . 1 1 82 82 GLU N N 82 116.381 116.381 120.788 -4.407 18864 3801 1 9 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.453 0.170 18864 3802 1 9 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.231 0.420 18864 3803 1 9 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.909 -0.579 18864 3804 1 9 . 1 1 82 82 GLU H H 82 7.986 7.986 8.536 -0.550 18864 3805 1 9 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.520 0.213 18864 3806 1 9 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.569 0.113 18864 3807 1 9 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.936 -0.494 18864 3808 1 9 . 1 1 84 84 VAL N N 84 127.594 127.594 126.316 1.278 18864 3809 1 9 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.360 0.001 18864 3810 1 9 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.618 0.633 18864 3811 1 9 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.803 0.807 18864 3812 1 9 . 1 1 84 84 VAL H H 84 9.630 9.630 9.179 0.451 18864 3813 1 9 . 1 1 85 85 LYS N N 85 130.184 130.184 129.831 0.353 18864 3814 1 9 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.390 -0.110 18864 3815 1 9 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.413 0.748 18864 3816 1 9 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.204 0.480 18864 3817 1 9 . 1 1 85 85 LYS H H 85 8.827 8.827 8.799 0.028 18864 3818 1 9 . 1 1 86 86 SER N N 86 125.071 125.071 122.069 3.002 18864 3819 1 9 . 1 1 86 86 SER HA H 86 4.925 4.925 4.948 -0.023 18864 3820 1 9 . 1 1 86 86 SER CA C 86 56.939 56.939 56.604 0.335 18864 3821 1 9 . 1 1 86 86 SER CB C 86 67.836 67.836 66.848 0.988 18864 3822 1 9 . 1 1 86 86 SER H H 86 9.594 9.594 8.837 0.757 18864 3823 1 9 . 1 1 87 87 GLU N N 87 118.510 118.510 119.524 -1.014 18864 3824 1 9 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.016 0.104 18864 3825 1 9 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.365 -0.280 18864 3826 1 9 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.183 0.197 18864 3827 1 9 . 1 1 87 87 GLU H H 87 9.615 9.615 9.006 0.609 18864 3828 1 9 . 1 1 88 88 PHE N N 88 118.385 118.385 119.681 -1.296 18864 3829 1 9 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.250 0.289 18864 3830 1 9 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.965 -1.464 18864 3831 1 9 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.865 0.294 18864 3832 1 9 . 1 1 88 88 PHE H H 88 8.817 8.817 7.788 1.029 18864 3833 1 9 . 1 1 89 89 GLY N N 89 107.269 107.269 103.565 3.704 18864 3834 1 9 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.948 0.140 18864 3835 1 9 . 1 1 89 89 GLY H H 89 7.405 7.405 7.814 -0.409 18864 3836 1 9 . 1 1 90 90 TYR N N 90 119.181 119.181 121.495 -2.314 18864 3837 1 9 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.759 -0.679 18864 3838 1 9 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.104 0.232 18864 3839 1 9 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.910 0.919 18864 3840 1 9 . 1 1 90 90 TYR H H 90 9.119 9.119 8.345 0.774 18864 3841 1 9 . 1 1 91 91 HIS N N 91 120.399 120.399 121.951 -1.552 18864 3842 1 9 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.730 -0.173 18864 3843 1 9 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.164 0.281 18864 3844 1 9 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.360 -2.063 18864 3845 1 9 . 1 1 91 91 HIS H H 91 9.879 9.879 9.729 0.150 18864 3846 1 9 . 1 1 92 92 VAL N N 92 122.606 122.606 122.628 -0.022 18864 3847 1 9 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.362 -0.375 18864 3848 1 9 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.971 1.957 18864 3849 1 9 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.748 -0.526 18864 3850 1 9 . 1 1 92 92 VAL H H 92 9.102 9.102 9.180 -0.078 18864 3851 1 9 . 1 1 93 93 ILE N N 93 128.087 128.087 127.680 0.407 18864 3852 1 9 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.180 -0.401 18864 3853 1 9 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.811 1.125 18864 3854 1 9 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.549 1.223 18864 3855 1 9 . 1 1 93 93 ILE H H 93 8.623 8.623 9.561 -0.938 18864 3856 1 9 . 1 1 94 94 LYS N N 94 125.877 125.877 127.713 -1.836 18864 3857 1 9 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.125 0.186 18864 3858 1 9 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.451 0.782 18864 3859 1 9 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.624 -0.137 18864 3860 1 9 . 1 1 94 94 LYS H H 94 8.881 8.881 9.031 -0.150 18864 3861 1 9 . 1 1 95 95 ARG N N 95 126.274 126.274 124.015 2.259 18864 3862 1 9 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.150 0.873 18864 3863 1 9 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.615 -0.601 18864 3864 1 9 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.223 -1.466 18864 3865 1 9 . 1 1 95 95 ARG H H 95 7.955 7.955 8.279 -0.324 18864 3866 1 9 . 1 1 96 96 LEU N N 96 129.551 129.551 125.014 4.537 18864 3867 1 9 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.600 -0.013 18864 3868 1 9 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.267 1.254 18864 3869 1 9 . 1 1 96 96 LEU CB C 96 44.384 44.384 45.163 -0.779 18864 3870 1 9 . 1 1 96 96 LEU H H 96 9.017 9.017 8.962 0.055 18864 3871 1 10 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.567 -0.097 18864 3872 1 10 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.761 0.485 18864 3873 1 10 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.167 0.221 18864 3874 1 10 . 1 1 3 3 MET HA H 3 4.476 4.476 4.069 0.407 18864 3875 1 10 . 1 1 3 3 MET CA C 3 56.002 56.002 56.778 -0.776 18864 3876 1 10 . 1 1 3 3 MET CB C 3 32.025 32.025 32.102 -0.077 18864 3877 1 10 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.598 -0.165 18864 3878 1 10 . 1 1 5 5 SER HA H 5 4.427 4.427 4.530 -0.103 18864 3879 1 10 . 1 1 5 5 SER CA C 5 58.631 58.631 57.760 0.871 18864 3880 1 10 . 1 1 5 5 SER CB C 5 64.117 64.117 63.882 0.235 18864 3881 1 10 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.169 0.256 18864 3882 1 10 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.218 -1.573 18864 3883 1 10 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.603 1.013 18864 3884 1 10 . 1 1 8 8 ASP N N 8 119.103 119.103 118.559 0.544 18864 3885 1 10 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.583 0.038 18864 3886 1 10 . 1 1 8 8 ASP CA C 8 55.170 55.170 54.642 0.528 18864 3887 1 10 . 1 1 8 8 ASP CB C 8 41.375 41.375 39.298 2.077 18864 3888 1 10 . 1 1 8 8 ASP H H 8 8.353 8.353 8.658 -0.305 18864 3889 1 10 . 1 1 9 9 LYS N N 9 117.781 117.781 117.250 0.531 18864 3890 1 10 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.777 0.189 18864 3891 1 10 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.215 1.152 18864 3892 1 10 . 1 1 9 9 LYS CB C 9 36.080 36.080 36.875 -0.795 18864 3893 1 10 . 1 1 9 9 LYS H H 9 7.858 7.858 8.017 -0.159 18864 3894 1 10 . 1 1 10 10 ILE N N 10 114.675 114.675 121.827 -7.152 18864 3895 1 10 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.988 0.526 18864 3896 1 10 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.594 -0.034 18864 3897 1 10 . 1 1 10 10 ILE CB C 10 42.395 42.395 39.735 2.660 18864 3898 1 10 . 1 1 10 10 ILE H H 10 8.254 8.254 8.469 -0.215 18864 3899 1 10 . 1 1 11 11 LYS N N 11 121.626 121.626 127.427 -5.801 18864 3900 1 10 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.298 0.492 18864 3901 1 10 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.043 -2.132 18864 3902 1 10 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.512 2.091 18864 3903 1 10 . 1 1 11 11 LYS H H 11 7.974 7.974 8.494 -0.520 18864 3904 1 10 . 1 1 12 12 CYS N N 12 118.054 118.054 123.568 -5.514 18864 3905 1 10 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.255 0.383 18864 3906 1 10 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.346 0.312 18864 3907 1 10 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.051 2.574 18864 3908 1 10 . 1 1 12 12 CYS H H 12 7.256 7.256 9.299 -2.043 18864 3909 1 10 . 1 1 13 13 SER N N 13 117.042 117.042 115.786 1.256 18864 3910 1 10 . 1 1 13 13 SER HA H 13 5.625 5.625 5.914 -0.289 18864 3911 1 10 . 1 1 13 13 SER CA C 13 56.017 56.017 56.938 -0.921 18864 3912 1 10 . 1 1 13 13 SER CB C 13 66.920 66.920 66.534 0.386 18864 3913 1 10 . 1 1 13 13 SER H H 13 9.186 9.186 9.031 0.155 18864 3914 1 10 . 1 1 14 14 HIS N N 14 119.162 119.162 119.245 -0.083 18864 3915 1 10 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.076 0.334 18864 3916 1 10 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.122 0.472 18864 3917 1 10 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.251 3.372 18864 3918 1 10 . 1 1 14 14 HIS H H 14 9.902 9.902 9.476 0.426 18864 3919 1 10 . 1 1 15 15 ILE N N 15 121.809 121.809 121.189 0.620 18864 3920 1 10 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.152 -0.715 18864 3921 1 10 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.797 2.079 18864 3922 1 10 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.311 0.482 18864 3923 1 10 . 1 1 15 15 ILE H H 15 8.913 8.913 9.142 -0.229 18864 3924 1 10 . 1 1 16 16 LEU N N 16 129.008 129.008 130.838 -1.830 18864 3925 1 10 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.060 -0.042 18864 3926 1 10 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.819 -1.156 18864 3927 1 10 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.521 1.495 18864 3928 1 10 . 1 1 16 16 LEU H H 16 7.632 7.632 8.356 -0.724 18864 3929 1 10 . 1 1 17 17 VAL N N 17 117.991 117.991 121.026 -3.035 18864 3930 1 10 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.644 0.315 18864 3931 1 10 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.117 -0.276 18864 3932 1 10 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.256 -0.467 18864 3933 1 10 . 1 1 17 17 VAL H H 17 9.025 9.025 9.215 -0.190 18864 3934 1 10 . 1 1 18 18 LYS N N 18 119.296 119.296 121.973 -2.677 18864 3935 1 10 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.188 0.213 18864 3936 1 10 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.285 0.088 18864 3937 1 10 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.998 1.312 18864 3938 1 10 . 1 1 18 18 LYS H H 18 8.781 8.781 8.418 0.363 18864 3939 1 10 . 1 1 19 19 LYS N N 19 114.107 114.107 117.869 -3.762 18864 3940 1 10 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.597 0.238 18864 3941 1 10 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.590 0.135 18864 3942 1 10 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.641 1.163 18864 3943 1 10 . 1 1 19 19 LYS H H 19 8.023 8.023 7.984 0.039 18864 3944 1 10 . 1 1 20 20 GLN N N 20 125.662 125.662 123.002 2.660 18864 3945 1 10 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.200 1.654 18864 3946 1 10 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.199 0.236 18864 3947 1 10 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.083 -0.114 18864 3948 1 10 . 1 1 20 20 GLN H H 20 8.795 8.795 8.446 0.349 18864 3949 1 10 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.708 0.290 18864 3950 1 10 . 1 1 22 22 GLU N N 22 119.712 119.712 122.327 -2.615 18864 3951 1 10 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.984 0.131 18864 3952 1 10 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.466 -1.344 18864 3953 1 10 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.348 0.368 18864 3954 1 10 . 1 1 22 22 GLU H H 22 6.765 6.765 8.329 -1.564 18864 3955 1 10 . 1 1 23 23 ALA N N 23 124.106 124.106 122.910 1.196 18864 3956 1 10 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.969 -0.201 18864 3957 1 10 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.376 -0.471 18864 3958 1 10 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.309 -0.506 18864 3959 1 10 . 1 1 23 23 ALA H H 23 7.461 7.461 7.795 -0.334 18864 3960 1 10 . 1 1 24 24 LEU N N 24 118.772 118.772 119.785 -1.013 18864 3961 1 10 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.330 -0.151 18864 3962 1 10 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.632 0.205 18864 3963 1 10 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.724 0.480 18864 3964 1 10 . 1 1 24 24 LEU H H 24 7.989 7.989 8.147 -0.158 18864 3965 1 10 . 1 1 25 25 ALA N N 25 121.590 121.590 122.581 -0.991 18864 3966 1 10 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.980 0.216 18864 3967 1 10 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.606 -0.410 18864 3968 1 10 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.234 -0.337 18864 3969 1 10 . 1 1 25 25 ALA H H 25 7.472 7.472 8.471 -0.999 18864 3970 1 10 . 1 1 26 26 VAL N N 26 118.603 118.603 116.291 2.312 18864 3971 1 10 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.597 -0.327 18864 3972 1 10 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.784 1.523 18864 3973 1 10 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.080 1.332 18864 3974 1 10 . 1 1 26 26 VAL H H 26 7.633 7.633 8.304 -0.671 18864 3975 1 10 . 1 1 27 27 GLN N N 27 117.799 117.799 120.333 -2.534 18864 3976 1 10 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.934 0.022 18864 3977 1 10 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.624 0.675 18864 3978 1 10 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.490 1.330 18864 3979 1 10 . 1 1 27 27 GLN H H 27 8.000 8.000 8.216 -0.216 18864 3980 1 10 . 1 1 28 28 GLU N N 28 118.775 118.775 119.476 -0.701 18864 3981 1 10 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.058 -0.041 18864 3982 1 10 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.844 0.731 18864 3983 1 10 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.521 0.089 18864 3984 1 10 . 1 1 28 28 GLU H H 28 8.107 8.107 8.389 -0.282 18864 3985 1 10 . 1 1 29 29 ARG N N 29 121.360 121.360 119.444 1.916 18864 3986 1 10 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.047 0.079 18864 3987 1 10 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.999 1.075 18864 3988 1 10 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.137 1.244 18864 3989 1 10 . 1 1 29 29 ARG H H 29 8.084 8.084 8.324 -0.240 18864 3990 1 10 . 1 1 30 30 LEU N N 30 120.289 120.289 119.459 0.830 18864 3991 1 10 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.223 0.112 18864 3992 1 10 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.568 0.104 18864 3993 1 10 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.002 0.739 18864 3994 1 10 . 1 1 30 30 LEU H H 30 8.379 8.379 8.809 -0.430 18864 3995 1 10 . 1 1 31 31 LYS N N 31 122.554 122.554 118.584 3.970 18864 3996 1 10 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.053 -0.000 18864 3997 1 10 . 1 1 31 31 LYS CA C 31 59.429 59.429 57.995 1.434 18864 3998 1 10 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.564 0.755 18864 3999 1 10 . 1 1 31 31 LYS H H 31 8.280 8.280 7.460 0.820 18864 4000 1 10 . 1 1 32 32 ALA N N 32 119.271 119.271 118.866 0.405 18864 4001 1 10 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.187 0.191 18864 4002 1 10 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.071 -0.495 18864 4003 1 10 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.120 -0.299 18864 4004 1 10 . 1 1 32 32 ALA H H 32 7.557 7.557 7.874 -0.317 18864 4005 1 10 . 1 1 33 33 GLY N N 33 105.104 105.104 105.673 -0.569 18864 4006 1 10 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.573 0.172 18864 4007 1 10 . 1 1 33 33 GLY H H 33 7.758 7.758 7.915 -0.158 18864 4008 1 10 . 1 1 34 34 GLU N N 34 121.024 121.024 120.209 0.815 18864 4009 1 10 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.258 0.021 18864 4010 1 10 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.439 1.733 18864 4011 1 10 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.394 0.342 18864 4012 1 10 . 1 1 34 34 GLU H H 34 7.871 7.871 8.162 -0.291 18864 4013 1 10 . 1 1 35 35 LYS N N 35 121.214 121.214 122.016 -0.802 18864 4014 1 10 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.229 0.036 18864 4015 1 10 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.655 -0.338 18864 4016 1 10 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.859 0.203 18864 4017 1 10 . 1 1 35 35 LYS H H 35 8.776 8.776 8.344 0.432 18864 4018 1 10 . 1 1 36 36 PHE N N 36 125.726 125.726 127.531 -1.805 18864 4019 1 10 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.207 -0.564 18864 4020 1 10 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.846 0.984 18864 4021 1 10 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.078 1.216 18864 4022 1 10 . 1 1 36 36 PHE H H 36 8.972 8.972 8.909 0.063 18864 4023 1 10 . 1 1 37 37 GLY N N 37 103.959 103.959 106.344 -2.385 18864 4024 1 10 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.884 0.461 18864 4025 1 10 . 1 1 37 37 GLY H H 37 9.123 9.123 8.612 0.511 18864 4026 1 10 . 1 1 38 38 LYS N N 38 120.432 120.432 122.814 -2.382 18864 4027 1 10 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.012 0.046 18864 4028 1 10 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.192 -0.163 18864 4029 1 10 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.335 0.320 18864 4030 1 10 . 1 1 38 38 LYS H H 38 6.683 6.683 8.104 -1.421 18864 4031 1 10 . 1 1 39 39 LEU N N 39 119.598 119.598 119.359 0.239 18864 4032 1 10 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.877 0.030 18864 4033 1 10 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.961 -0.346 18864 4034 1 10 . 1 1 39 39 LEU CB C 39 41.744 41.744 41.070 0.674 18864 4035 1 10 . 1 1 39 39 LEU H H 39 7.754 7.754 8.116 -0.362 18864 4036 1 10 . 1 1 40 40 ALA N N 40 121.385 121.385 122.454 -1.069 18864 4037 1 10 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.715 0.057 18864 4038 1 10 . 1 1 40 40 ALA CA C 40 55.875 55.875 55.385 0.490 18864 4039 1 10 . 1 1 40 40 ALA CB C 40 17.185 17.185 17.868 -0.683 18864 4040 1 10 . 1 1 40 40 ALA H H 40 8.437 8.437 8.227 0.210 18864 4041 1 10 . 1 1 41 41 LYS N N 41 116.991 116.991 116.734 0.257 18864 4042 1 10 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.016 -0.094 18864 4043 1 10 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.228 0.531 18864 4044 1 10 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.446 0.165 18864 4045 1 10 . 1 1 41 41 LYS H H 41 7.681 7.681 7.970 -0.289 18864 4046 1 10 . 1 1 42 42 GLU N N 42 117.121 117.121 117.381 -0.260 18864 4047 1 10 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.155 -0.127 18864 4048 1 10 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.478 0.582 18864 4049 1 10 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.166 1.329 18864 4050 1 10 . 1 1 42 42 GLU H H 42 7.796 7.796 8.096 -0.300 18864 4051 1 10 . 1 1 43 43 LEU N N 43 112.754 112.754 115.951 -3.197 18864 4052 1 10 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.460 0.079 18864 4053 1 10 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.474 -0.298 18864 4054 1 10 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.353 1.709 18864 4055 1 10 . 1 1 43 43 LEU H H 43 8.305 8.305 8.418 -0.113 18864 4056 1 10 . 1 1 44 44 SER N N 44 110.514 110.514 116.196 -5.682 18864 4057 1 10 . 1 1 44 44 SER HA H 44 4.707 4.707 4.420 0.287 18864 4058 1 10 . 1 1 44 44 SER CA C 44 57.490 57.490 59.266 -1.776 18864 4059 1 10 . 1 1 44 44 SER CB C 44 65.461 65.461 63.999 1.462 18864 4060 1 10 . 1 1 44 44 SER H H 44 8.255 8.255 7.670 0.585 18864 4061 1 10 . 1 1 45 45 ILE N N 45 120.438 120.438 114.579 5.859 18864 4062 1 10 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.317 0.102 18864 4063 1 10 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.411 1.448 18864 4064 1 10 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.286 -1.157 18864 4065 1 10 . 1 1 45 45 ILE H H 45 9.238 9.238 8.608 0.630 18864 4066 1 10 . 1 1 46 46 ASP N N 46 120.068 120.068 122.472 -2.404 18864 4067 1 10 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.622 -0.244 18864 4068 1 10 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.991 -0.239 18864 4069 1 10 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.472 -0.056 18864 4070 1 10 . 1 1 46 46 ASP H H 46 7.488 7.488 7.698 -0.210 18864 4071 1 10 . 1 1 47 47 GLY N N 47 114.910 114.910 113.347 1.563 18864 4072 1 10 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.044 0.274 18864 4073 1 10 . 1 1 47 47 GLY H H 47 8.562 8.562 8.025 0.537 18864 4074 1 10 . 1 1 48 48 GLY N N 48 106.725 106.725 109.855 -3.130 18864 4075 1 10 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.908 -0.282 18864 4076 1 10 . 1 1 48 48 GLY H H 48 8.328 8.328 8.071 0.257 18864 4077 1 10 . 1 1 49 49 SER N N 49 110.646 110.646 118.260 -7.614 18864 4078 1 10 . 1 1 49 49 SER HA H 49 4.560 4.560 4.300 0.260 18864 4079 1 10 . 1 1 49 49 SER CA C 49 59.559 59.559 61.572 -2.013 18864 4080 1 10 . 1 1 49 49 SER CB C 49 65.469 65.469 63.334 2.135 18864 4081 1 10 . 1 1 49 49 SER H H 49 7.255 7.255 8.835 -1.580 18864 4082 1 10 . 1 1 50 50 ALA N N 50 130.821 130.821 125.298 5.523 18864 4083 1 10 . 1 1 50 50 ALA HA H 50 3.826 3.826 3.991 -0.165 18864 4084 1 10 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.077 1.793 18864 4085 1 10 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.048 1.337 18864 4086 1 10 . 1 1 50 50 ALA H H 50 8.571 8.571 8.483 0.088 18864 4087 1 10 . 1 1 51 51 LYS N N 51 110.700 110.700 116.572 -5.872 18864 4088 1 10 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.106 0.131 18864 4089 1 10 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.593 -1.006 18864 4090 1 10 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.086 0.032 18864 4091 1 10 . 1 1 51 51 LYS H H 51 7.761 7.761 8.250 -0.489 18864 4092 1 10 . 1 1 52 52 ARG N N 52 120.280 120.280 118.574 1.706 18864 4093 1 10 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.494 0.293 18864 4094 1 10 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.395 -1.193 18864 4095 1 10 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.145 -0.641 18864 4096 1 10 . 1 1 52 52 ARG H H 52 7.650 7.650 7.628 0.022 18864 4097 1 10 . 1 1 53 53 ASP N N 53 117.809 117.809 117.890 -0.081 18864 4098 1 10 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.342 0.059 18864 4099 1 10 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.719 0.628 18864 4100 1 10 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.229 -0.607 18864 4101 1 10 . 1 1 53 53 ASP H H 53 8.157 8.157 8.571 -0.414 18864 4102 1 10 . 1 1 54 54 GLY N N 54 104.041 104.041 103.783 0.258 18864 4103 1 10 . 1 1 54 54 GLY CA C 54 45.628 45.628 45.937 -0.309 18864 4104 1 10 . 1 1 54 54 GLY H H 54 8.279 8.279 9.050 -0.771 18864 4105 1 10 . 1 1 55 55 SER N N 55 113.436 113.436 119.094 -5.658 18864 4106 1 10 . 1 1 55 55 SER HA H 55 4.578 4.578 4.576 0.002 18864 4107 1 10 . 1 1 55 55 SER CA C 55 59.851 59.851 58.123 1.728 18864 4108 1 10 . 1 1 55 55 SER CB C 55 64.102 64.102 62.093 2.009 18864 4109 1 10 . 1 1 55 55 SER H H 55 7.524 7.524 8.308 -0.784 18864 4110 1 10 . 1 1 56 56 LEU N N 56 126.328 126.328 124.367 1.961 18864 4111 1 10 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.009 0.482 18864 4112 1 10 . 1 1 56 56 LEU CA C 56 54.138 54.138 57.191 -3.053 18864 4113 1 10 . 1 1 56 56 LEU CB C 56 43.260 43.260 41.888 1.372 18864 4114 1 10 . 1 1 56 56 LEU H H 56 8.818 8.818 8.337 0.481 18864 4115 1 10 . 1 1 57 57 GLY N N 57 107.077 107.077 104.239 2.838 18864 4116 1 10 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.854 0.341 18864 4117 1 10 . 1 1 57 57 GLY H H 57 8.072 8.072 8.163 -0.091 18864 4118 1 10 . 1 1 58 58 TYR N N 58 115.734 115.734 122.015 -6.281 18864 4119 1 10 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.719 0.472 18864 4120 1 10 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.194 -0.344 18864 4121 1 10 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.799 1.875 18864 4122 1 10 . 1 1 58 58 TYR H H 58 8.348 8.348 8.606 -0.258 18864 4123 1 10 . 1 1 59 59 PHE N N 59 118.174 118.174 118.965 -0.791 18864 4124 1 10 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.927 0.110 18864 4125 1 10 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.208 0.107 18864 4126 1 10 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.694 -0.104 18864 4127 1 10 . 1 1 59 59 PHE H H 59 9.136 9.136 8.063 1.073 18864 4128 1 10 . 1 1 60 60 GLY N N 60 106.839 106.839 108.278 -1.439 18864 4129 1 10 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.863 -0.702 18864 4130 1 10 . 1 1 60 60 GLY H H 60 8.594 8.594 8.576 0.018 18864 4131 1 10 . 1 1 61 61 ARG N N 61 119.161 119.161 120.128 -0.967 18864 4132 1 10 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.313 -0.310 18864 4133 1 10 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.202 0.217 18864 4134 1 10 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.988 -0.690 18864 4135 1 10 . 1 1 61 61 ARG H H 61 8.833 8.833 8.655 0.178 18864 4136 1 10 . 1 1 62 62 GLY N N 62 112.714 112.714 111.869 0.845 18864 4137 1 10 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.272 0.229 18864 4138 1 10 . 1 1 62 62 GLY H H 62 10.418 10.418 9.555 0.863 18864 4139 1 10 . 1 1 63 63 LYS N N 63 120.687 120.687 123.006 -2.319 18864 4140 1 10 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.121 0.265 18864 4141 1 10 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.947 -0.827 18864 4142 1 10 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.346 2.516 18864 4143 1 10 . 1 1 63 63 LYS H H 63 7.706 7.706 8.295 -0.589 18864 4144 1 10 . 1 1 64 64 MET N N 64 117.704 117.704 118.173 -0.469 18864 4145 1 10 . 1 1 64 64 MET HA H 64 4.608 4.608 4.184 0.424 18864 4146 1 10 . 1 1 64 64 MET CA C 64 51.959 51.959 53.481 -1.522 18864 4147 1 10 . 1 1 64 64 MET CB C 64 33.012 33.012 32.295 0.717 18864 4148 1 10 . 1 1 64 64 MET H H 64 9.046 9.046 7.869 1.177 18864 4149 1 10 . 1 1 65 65 VAL N N 65 113.540 113.540 119.447 -5.907 18864 4150 1 10 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.129 0.084 18864 4151 1 10 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.856 0.484 18864 4152 1 10 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.935 -0.135 18864 4153 1 10 . 1 1 65 65 VAL H H 65 8.043 8.043 8.227 -0.184 18864 4154 1 10 . 1 1 66 66 LYS N N 66 124.592 124.592 127.639 -3.047 18864 4155 1 10 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.175 0.028 18864 4156 1 10 . 1 1 66 66 LYS CA C 66 61.422 61.422 60.720 0.702 18864 4157 1 10 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.250 1.183 18864 4158 1 10 . 1 1 66 66 LYS H H 66 8.877 8.877 9.039 -0.162 18864 4159 1 10 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.267 0.184 18864 4160 1 10 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.850 0.199 18864 4161 1 10 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.313 -0.062 18864 4162 1 10 . 1 1 68 68 PHE N N 68 115.149 115.149 119.165 -4.016 18864 4163 1 10 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.045 -0.358 18864 4164 1 10 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.836 -1.080 18864 4165 1 10 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.958 1.224 18864 4166 1 10 . 1 1 68 68 PHE H H 68 6.997 6.997 8.218 -1.221 18864 4167 1 10 . 1 1 69 69 GLU N N 69 119.933 119.933 119.348 0.585 18864 4168 1 10 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.075 -0.079 18864 4169 1 10 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.021 0.943 18864 4170 1 10 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.574 1.351 18864 4171 1 10 . 1 1 69 69 GLU H H 69 8.562 8.562 8.322 0.240 18864 4172 1 10 . 1 1 70 70 ASP N N 70 116.956 116.956 120.305 -3.349 18864 4173 1 10 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.504 -0.119 18864 4174 1 10 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.600 -0.427 18864 4175 1 10 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.785 -0.597 18864 4176 1 10 . 1 1 70 70 ASP H H 70 9.074 9.074 8.669 0.405 18864 4177 1 10 . 1 1 71 71 ALA N N 71 117.745 117.745 121.711 -3.966 18864 4178 1 10 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.933 0.239 18864 4179 1 10 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.118 -0.803 18864 4180 1 10 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.406 2.096 18864 4181 1 10 . 1 1 71 71 ALA H H 71 6.888 6.888 8.004 -1.116 18864 4182 1 10 . 1 1 72 72 ALA N N 72 120.783 120.783 121.895 -1.112 18864 4183 1 10 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.826 -0.080 18864 4184 1 10 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.834 0.559 18864 4185 1 10 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.635 0.449 18864 4186 1 10 . 1 1 72 72 ALA H H 72 8.860 8.860 8.035 0.825 18864 4187 1 10 . 1 1 73 73 PHE N N 73 110.353 110.353 115.867 -5.514 18864 4188 1 10 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.238 -0.217 18864 4189 1 10 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.581 -0.015 18864 4190 1 10 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.736 -0.409 18864 4191 1 10 . 1 1 73 73 PHE H H 73 8.275 8.275 8.123 0.152 18864 4192 1 10 . 1 1 74 74 ARG N N 74 116.189 116.189 118.887 -2.698 18864 4193 1 10 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.095 0.379 18864 4194 1 10 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.186 -2.819 18864 4195 1 10 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.478 1.222 18864 4196 1 10 . 1 1 74 74 ARG H H 74 7.047 7.047 8.150 -1.103 18864 4197 1 10 . 1 1 75 75 LEU N N 75 119.425 119.425 117.839 1.586 18864 4198 1 10 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.541 -0.262 18864 4199 1 10 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.852 1.149 18864 4200 1 10 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.782 2.362 18864 4201 1 10 . 1 1 75 75 LEU H H 75 7.033 7.033 7.914 -0.881 18864 4202 1 10 . 1 1 76 76 GLN N N 76 121.205 121.205 120.585 0.620 18864 4203 1 10 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.847 0.560 18864 4204 1 10 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.430 -4.971 18864 4205 1 10 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.324 1.296 18864 4206 1 10 . 1 1 76 76 GLN H H 76 9.087 9.087 7.715 1.372 18864 4207 1 10 . 1 1 77 77 VAL N N 77 121.809 121.809 115.967 5.842 18864 4208 1 10 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.707 0.696 18864 4209 1 10 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.955 3.628 18864 4210 1 10 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.533 -2.917 18864 4211 1 10 . 1 1 77 77 VAL H H 77 8.901 8.901 8.097 0.804 18864 4212 1 10 . 1 1 78 78 GLY N N 78 117.559 117.559 106.702 10.857 18864 4213 1 10 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.663 0.470 18864 4214 1 10 . 1 1 78 78 GLY H H 78 9.049 9.049 8.265 0.784 18864 4215 1 10 . 1 1 79 79 GLU N N 79 122.304 122.304 120.678 1.626 18864 4216 1 10 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.510 -0.243 18864 4217 1 10 . 1 1 79 79 GLU CA C 79 56.547 56.547 55.657 0.890 18864 4218 1 10 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.423 0.867 18864 4219 1 10 . 1 1 79 79 GLU H H 79 8.093 8.093 7.732 0.361 18864 4220 1 10 . 1 1 80 80 VAL N N 80 122.253 122.253 119.387 2.866 18864 4221 1 10 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.327 0.719 18864 4222 1 10 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.611 -1.289 18864 4223 1 10 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.901 0.656 18864 4224 1 10 . 1 1 80 80 VAL H H 80 8.133 8.133 8.300 -0.167 18864 4225 1 10 . 1 1 81 81 SER N N 81 125.484 125.484 122.822 2.662 18864 4226 1 10 . 1 1 81 81 SER HA H 81 4.346 4.346 4.382 -0.036 18864 4227 1 10 . 1 1 81 81 SER CA C 81 59.316 59.316 58.201 1.115 18864 4228 1 10 . 1 1 81 81 SER CB C 81 65.988 65.988 64.097 1.891 18864 4229 1 10 . 1 1 81 81 SER H H 81 9.927 9.927 9.024 0.903 18864 4230 1 10 . 1 1 82 82 GLU N N 82 116.381 116.381 121.522 -5.141 18864 4231 1 10 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.516 0.107 18864 4232 1 10 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.589 0.062 18864 4233 1 10 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.759 -0.429 18864 4234 1 10 . 1 1 82 82 GLU H H 82 7.986 7.986 8.500 -0.514 18864 4235 1 10 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.434 0.299 18864 4236 1 10 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.503 0.179 18864 4237 1 10 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.814 -0.371 18864 4238 1 10 . 1 1 84 84 VAL N N 84 127.594 127.594 125.189 2.405 18864 4239 1 10 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.262 0.099 18864 4240 1 10 . 1 1 84 84 VAL CA C 84 61.251 61.251 61.567 -0.316 18864 4241 1 10 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.819 2.791 18864 4242 1 10 . 1 1 84 84 VAL H H 84 9.630 9.630 9.257 0.373 18864 4243 1 10 . 1 1 85 85 LYS N N 85 130.184 130.184 129.586 0.598 18864 4244 1 10 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.705 -0.425 18864 4245 1 10 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.997 0.164 18864 4246 1 10 . 1 1 85 85 LYS CB C 85 33.684 33.684 32.916 0.768 18864 4247 1 10 . 1 1 85 85 LYS H H 85 8.827 8.827 8.829 -0.002 18864 4248 1 10 . 1 1 86 86 SER N N 86 125.071 125.071 119.888 5.183 18864 4249 1 10 . 1 1 86 86 SER HA H 86 4.925 4.925 4.847 0.078 18864 4250 1 10 . 1 1 86 86 SER CA C 86 56.939 56.939 56.945 -0.006 18864 4251 1 10 . 1 1 86 86 SER CB C 86 67.836 67.836 66.274 1.562 18864 4252 1 10 . 1 1 86 86 SER H H 86 9.594 9.594 8.637 0.957 18864 4253 1 10 . 1 1 87 87 GLU N N 87 118.510 118.510 119.350 -0.840 18864 4254 1 10 . 1 1 87 87 GLU HA H 87 4.120 4.120 3.997 0.123 18864 4255 1 10 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.257 -0.172 18864 4256 1 10 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.084 0.296 18864 4257 1 10 . 1 1 87 87 GLU H H 87 9.615 9.615 8.839 0.776 18864 4258 1 10 . 1 1 88 88 PHE N N 88 118.385 118.385 119.527 -1.142 18864 4259 1 10 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.257 0.282 18864 4260 1 10 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.653 -1.152 18864 4261 1 10 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.686 0.473 18864 4262 1 10 . 1 1 88 88 PHE H H 88 8.817 8.817 7.633 1.184 18864 4263 1 10 . 1 1 89 89 GLY N N 89 107.269 107.269 104.940 2.329 18864 4264 1 10 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.712 0.376 18864 4265 1 10 . 1 1 89 89 GLY H H 89 7.405 7.405 7.638 -0.233 18864 4266 1 10 . 1 1 90 90 TYR N N 90 119.181 119.181 121.634 -2.453 18864 4267 1 10 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.474 -0.394 18864 4268 1 10 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.054 0.282 18864 4269 1 10 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.489 1.340 18864 4270 1 10 . 1 1 90 90 TYR H H 90 9.119 9.119 8.000 1.119 18864 4271 1 10 . 1 1 91 91 HIS N N 91 120.399 120.399 122.269 -1.870 18864 4272 1 10 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.437 0.120 18864 4273 1 10 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.196 0.250 18864 4274 1 10 . 1 1 91 91 HIS CB C 91 31.297 31.297 32.841 -1.544 18864 4275 1 10 . 1 1 91 91 HIS H H 91 9.879 9.879 9.553 0.326 18864 4276 1 10 . 1 1 92 92 VAL N N 92 122.606 122.606 124.145 -1.539 18864 4277 1 10 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.637 -0.650 18864 4278 1 10 . 1 1 92 92 VAL CA C 92 63.928 63.928 62.015 1.913 18864 4279 1 10 . 1 1 92 92 VAL CB C 92 33.222 33.222 32.563 0.659 18864 4280 1 10 . 1 1 92 92 VAL H H 92 9.102 9.102 9.356 -0.254 18864 4281 1 10 . 1 1 93 93 ILE N N 93 128.087 128.087 129.100 -1.013 18864 4282 1 10 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.076 -0.297 18864 4283 1 10 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.972 0.964 18864 4284 1 10 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.106 1.666 18864 4285 1 10 . 1 1 93 93 ILE H H 93 8.623 8.623 9.677 -1.054 18864 4286 1 10 . 1 1 94 94 LYS N N 94 125.877 125.877 127.491 -1.614 18864 4287 1 10 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.184 0.127 18864 4288 1 10 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.504 0.729 18864 4289 1 10 . 1 1 94 94 LYS CB C 94 36.488 36.488 35.839 0.649 18864 4290 1 10 . 1 1 94 94 LYS H H 94 8.881 8.881 8.757 0.124 18864 4291 1 10 . 1 1 95 95 ARG N N 95 126.274 126.274 124.856 1.418 18864 4292 1 10 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.291 0.732 18864 4293 1 10 . 1 1 95 95 ARG CA C 95 56.014 56.014 55.966 0.048 18864 4294 1 10 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.949 -1.192 18864 4295 1 10 . 1 1 95 95 ARG H H 95 7.955 7.955 7.877 0.078 18864 4296 1 10 . 1 1 96 96 LEU N N 96 129.551 129.551 127.013 2.538 18864 4297 1 10 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.449 0.138 18864 4298 1 10 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.740 0.781 18864 4299 1 10 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.812 -0.428 18864 4300 1 10 . 1 1 96 96 LEU H H 96 9.017 9.017 8.628 0.389 18864 4301 1 11 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.522 -0.052 18864 4302 1 11 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.786 0.460 18864 4303 1 11 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.719 -0.331 18864 4304 1 11 . 1 1 3 3 MET HA H 3 4.476 4.476 4.547 -0.071 18864 4305 1 11 . 1 1 3 3 MET CA C 3 56.002 56.002 55.759 0.243 18864 4306 1 11 . 1 1 3 3 MET CB C 3 32.025 32.025 34.107 -2.082 18864 4307 1 11 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.880 0.553 18864 4308 1 11 . 1 1 5 5 SER HA H 5 4.427 4.427 4.392 0.035 18864 4309 1 11 . 1 1 5 5 SER CA C 5 58.631 58.631 58.587 0.044 18864 4310 1 11 . 1 1 5 5 SER CB C 5 64.117 64.117 63.606 0.511 18864 4311 1 11 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.255 0.170 18864 4312 1 11 . 1 1 7 7 ALA CA C 7 52.645 52.645 52.124 0.521 18864 4313 1 11 . 1 1 7 7 ALA CB C 7 19.616 19.616 17.575 2.041 18864 4314 1 11 . 1 1 8 8 ASP N N 8 119.103 119.103 119.598 -0.495 18864 4315 1 11 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.472 0.149 18864 4316 1 11 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.635 -1.465 18864 4317 1 11 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.625 -0.250 18864 4318 1 11 . 1 1 8 8 ASP H H 8 8.353 8.353 8.364 -0.011 18864 4319 1 11 . 1 1 9 9 LYS N N 9 117.781 117.781 116.668 1.113 18864 4320 1 11 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.767 0.199 18864 4321 1 11 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.746 0.621 18864 4322 1 11 . 1 1 9 9 LYS CB C 9 36.080 36.080 35.519 0.561 18864 4323 1 11 . 1 1 9 9 LYS H H 9 7.858 7.858 7.351 0.507 18864 4324 1 11 . 1 1 10 10 ILE N N 10 114.675 114.675 120.815 -6.140 18864 4325 1 11 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.937 0.577 18864 4326 1 11 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.683 1.877 18864 4327 1 11 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.919 4.476 18864 4328 1 11 . 1 1 10 10 ILE H H 10 8.254 8.254 8.332 -0.078 18864 4329 1 11 . 1 1 11 11 LYS N N 11 121.626 121.626 127.850 -6.224 18864 4330 1 11 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.231 0.560 18864 4331 1 11 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.173 -2.262 18864 4332 1 11 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.278 2.325 18864 4333 1 11 . 1 1 11 11 LYS H H 11 7.974 7.974 8.522 -0.548 18864 4334 1 11 . 1 1 12 12 CYS N N 12 118.054 118.054 123.154 -5.100 18864 4335 1 11 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.233 0.405 18864 4336 1 11 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.101 0.557 18864 4337 1 11 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.177 2.449 18864 4338 1 11 . 1 1 12 12 CYS H H 12 7.256 7.256 9.395 -2.139 18864 4339 1 11 . 1 1 13 13 SER N N 13 117.042 117.042 115.911 1.131 18864 4340 1 11 . 1 1 13 13 SER HA H 13 5.625 5.625 5.829 -0.204 18864 4341 1 11 . 1 1 13 13 SER CA C 13 56.017 56.017 57.321 -1.304 18864 4342 1 11 . 1 1 13 13 SER CB C 13 66.920 66.920 65.633 1.287 18864 4343 1 11 . 1 1 13 13 SER H H 13 9.186 9.186 9.115 0.071 18864 4344 1 11 . 1 1 14 14 HIS N N 14 119.162 119.162 121.656 -2.494 18864 4345 1 11 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.193 0.217 18864 4346 1 11 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.825 0.769 18864 4347 1 11 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.181 3.442 18864 4348 1 11 . 1 1 14 14 HIS H H 14 9.902 9.902 9.539 0.363 18864 4349 1 11 . 1 1 15 15 ILE N N 15 121.809 121.809 121.657 0.152 18864 4350 1 11 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.086 -0.649 18864 4351 1 11 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.818 2.058 18864 4352 1 11 . 1 1 15 15 ILE CB C 15 41.793 41.793 40.946 0.847 18864 4353 1 11 . 1 1 15 15 ILE H H 15 8.913 8.913 9.125 -0.212 18864 4354 1 11 . 1 1 16 16 LEU N N 16 129.008 129.008 130.658 -1.650 18864 4355 1 11 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.113 -0.095 18864 4356 1 11 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.410 -0.747 18864 4357 1 11 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.890 1.126 18864 4358 1 11 . 1 1 16 16 LEU H H 16 7.632 7.632 8.328 -0.696 18864 4359 1 11 . 1 1 17 17 VAL N N 17 117.991 117.991 121.095 -3.104 18864 4360 1 11 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.650 0.309 18864 4361 1 11 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.255 -0.415 18864 4362 1 11 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.919 -1.130 18864 4363 1 11 . 1 1 17 17 VAL H H 17 9.025 9.025 9.298 -0.273 18864 4364 1 11 . 1 1 18 18 LYS N N 18 119.296 119.296 121.377 -2.081 18864 4365 1 11 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.261 0.140 18864 4366 1 11 . 1 1 18 18 LYS CA C 18 59.373 59.373 58.414 0.959 18864 4367 1 11 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.866 1.444 18864 4368 1 11 . 1 1 18 18 LYS H H 18 8.781 8.781 8.632 0.149 18864 4369 1 11 . 1 1 19 19 LYS N N 19 114.107 114.107 119.073 -4.966 18864 4370 1 11 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.502 0.333 18864 4371 1 11 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.783 -0.058 18864 4372 1 11 . 1 1 19 19 LYS CB C 19 35.804 35.804 33.903 1.901 18864 4373 1 11 . 1 1 19 19 LYS H H 19 8.023 8.023 8.131 -0.108 18864 4374 1 11 . 1 1 20 20 GLN N N 20 125.662 125.662 122.453 3.209 18864 4375 1 11 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.540 1.314 18864 4376 1 11 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.785 -0.350 18864 4377 1 11 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.191 -0.222 18864 4378 1 11 . 1 1 20 20 GLN H H 20 8.795 8.795 8.673 0.122 18864 4379 1 11 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.989 0.008 18864 4380 1 11 . 1 1 22 22 GLU N N 22 119.712 119.712 122.467 -2.755 18864 4381 1 11 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.015 0.100 18864 4382 1 11 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.511 -1.389 18864 4383 1 11 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.381 0.335 18864 4384 1 11 . 1 1 22 22 GLU H H 22 6.765 6.765 8.336 -1.571 18864 4385 1 11 . 1 1 23 23 ALA N N 23 124.106 124.106 122.973 1.133 18864 4386 1 11 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.998 -0.230 18864 4387 1 11 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.348 -0.443 18864 4388 1 11 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.548 -0.745 18864 4389 1 11 . 1 1 23 23 ALA H H 23 7.461 7.461 8.004 -0.543 18864 4390 1 11 . 1 1 24 24 LEU N N 24 118.772 118.772 119.066 -0.294 18864 4391 1 11 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.871 0.308 18864 4392 1 11 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.838 -0.001 18864 4393 1 11 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.616 -0.412 18864 4394 1 11 . 1 1 24 24 LEU H H 24 7.989 7.989 8.558 -0.569 18864 4395 1 11 . 1 1 25 25 ALA N N 25 121.590 121.590 122.651 -1.061 18864 4396 1 11 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.978 0.218 18864 4397 1 11 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.213 -0.017 18864 4398 1 11 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.387 -0.491 18864 4399 1 11 . 1 1 25 25 ALA H H 25 7.472 7.472 8.489 -1.017 18864 4400 1 11 . 1 1 26 26 VAL N N 26 118.603 118.603 116.685 1.918 18864 4401 1 11 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.661 -0.391 18864 4402 1 11 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.550 1.757 18864 4403 1 11 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.009 1.403 18864 4404 1 11 . 1 1 26 26 VAL H H 26 7.633 7.633 8.118 -0.485 18864 4405 1 11 . 1 1 27 27 GLN N N 27 117.799 117.799 120.511 -2.712 18864 4406 1 11 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.975 -0.019 18864 4407 1 11 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.791 0.508 18864 4408 1 11 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.343 1.477 18864 4409 1 11 . 1 1 27 27 GLN H H 27 8.000 8.000 8.323 -0.323 18864 4410 1 11 . 1 1 28 28 GLU N N 28 118.775 118.775 120.059 -1.284 18864 4411 1 11 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.041 -0.024 18864 4412 1 11 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.228 0.347 18864 4413 1 11 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.539 0.071 18864 4414 1 11 . 1 1 28 28 GLU H H 28 8.107 8.107 8.644 -0.537 18864 4415 1 11 . 1 1 29 29 ARG N N 29 121.360 121.360 120.771 0.589 18864 4416 1 11 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.025 0.101 18864 4417 1 11 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.283 0.791 18864 4418 1 11 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.139 1.242 18864 4419 1 11 . 1 1 29 29 ARG H H 29 8.084 8.084 8.285 -0.201 18864 4420 1 11 . 1 1 30 30 LEU N N 30 120.289 120.289 119.238 1.051 18864 4421 1 11 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.219 0.116 18864 4422 1 11 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.937 -0.265 18864 4423 1 11 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.578 0.162 18864 4424 1 11 . 1 1 30 30 LEU H H 30 8.379 8.379 8.651 -0.272 18864 4425 1 11 . 1 1 31 31 LYS N N 31 122.554 122.554 117.359 5.195 18864 4426 1 11 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.088 -0.035 18864 4427 1 11 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.243 1.186 18864 4428 1 11 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.460 0.859 18864 4429 1 11 . 1 1 31 31 LYS H H 31 8.280 8.280 7.441 0.839 18864 4430 1 11 . 1 1 32 32 ALA N N 32 119.271 119.271 120.029 -0.758 18864 4431 1 11 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.222 0.156 18864 4432 1 11 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.919 -0.343 18864 4433 1 11 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.021 -0.200 18864 4434 1 11 . 1 1 32 32 ALA H H 32 7.557 7.557 7.660 -0.103 18864 4435 1 11 . 1 1 33 33 GLY N N 33 105.104 105.104 105.257 -0.153 18864 4436 1 11 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.533 0.211 18864 4437 1 11 . 1 1 33 33 GLY H H 33 7.758 7.758 7.926 -0.168 18864 4438 1 11 . 1 1 34 34 GLU N N 34 121.024 121.024 120.617 0.407 18864 4439 1 11 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.255 0.024 18864 4440 1 11 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.231 1.941 18864 4441 1 11 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.375 0.361 18864 4442 1 11 . 1 1 34 34 GLU H H 34 7.871 7.871 7.693 0.178 18864 4443 1 11 . 1 1 35 35 LYS N N 35 121.214 121.214 121.444 -0.230 18864 4444 1 11 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.233 0.032 18864 4445 1 11 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.744 -0.427 18864 4446 1 11 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.886 0.176 18864 4447 1 11 . 1 1 35 35 LYS H H 35 8.776 8.776 8.506 0.270 18864 4448 1 11 . 1 1 36 36 PHE N N 36 125.726 125.726 127.570 -1.844 18864 4449 1 11 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.191 -0.548 18864 4450 1 11 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.996 0.834 18864 4451 1 11 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.072 1.223 18864 4452 1 11 . 1 1 36 36 PHE H H 36 8.972 8.972 8.938 0.034 18864 4453 1 11 . 1 1 37 37 GLY N N 37 103.959 103.959 106.415 -2.456 18864 4454 1 11 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.012 0.333 18864 4455 1 11 . 1 1 37 37 GLY H H 37 9.123 9.123 8.634 0.489 18864 4456 1 11 . 1 1 38 38 LYS N N 38 120.432 120.432 122.653 -2.221 18864 4457 1 11 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.056 0.002 18864 4458 1 11 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.054 -0.025 18864 4459 1 11 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.309 0.345 18864 4460 1 11 . 1 1 38 38 LYS H H 38 6.683 6.683 8.101 -1.418 18864 4461 1 11 . 1 1 39 39 LEU N N 39 119.598 119.598 119.517 0.081 18864 4462 1 11 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.991 -0.084 18864 4463 1 11 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.413 0.201 18864 4464 1 11 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.438 1.306 18864 4465 1 11 . 1 1 39 39 LEU H H 39 7.754 7.754 8.020 -0.266 18864 4466 1 11 . 1 1 40 40 ALA N N 40 121.385 121.385 123.041 -1.656 18864 4467 1 11 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.965 -0.193 18864 4468 1 11 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.968 0.907 18864 4469 1 11 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.421 -1.236 18864 4470 1 11 . 1 1 40 40 ALA H H 40 8.437 8.437 8.447 -0.010 18864 4471 1 11 . 1 1 41 41 LYS N N 41 116.991 116.991 118.550 -1.559 18864 4472 1 11 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.071 -0.149 18864 4473 1 11 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.299 1.460 18864 4474 1 11 . 1 1 41 41 LYS CB C 41 32.611 32.611 31.966 0.645 18864 4475 1 11 . 1 1 41 41 LYS H H 41 7.681 7.681 8.371 -0.690 18864 4476 1 11 . 1 1 42 42 GLU N N 42 117.121 117.121 118.778 -1.657 18864 4477 1 11 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.162 -0.134 18864 4478 1 11 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.648 0.412 18864 4479 1 11 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.004 1.491 18864 4480 1 11 . 1 1 42 42 GLU H H 42 7.796 7.796 7.704 0.092 18864 4481 1 11 . 1 1 43 43 LEU N N 43 112.754 112.754 117.844 -5.090 18864 4482 1 11 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.283 0.256 18864 4483 1 11 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.684 -0.507 18864 4484 1 11 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.128 1.934 18864 4485 1 11 . 1 1 43 43 LEU H H 43 8.305 8.305 8.249 0.056 18864 4486 1 11 . 1 1 44 44 SER N N 44 110.514 110.514 113.469 -2.955 18864 4487 1 11 . 1 1 44 44 SER HA H 44 4.707 4.707 4.252 0.455 18864 4488 1 11 . 1 1 44 44 SER CA C 44 57.490 57.490 60.042 -2.552 18864 4489 1 11 . 1 1 44 44 SER CB C 44 65.461 65.461 63.243 2.218 18864 4490 1 11 . 1 1 44 44 SER H H 44 8.255 8.255 7.637 0.618 18864 4491 1 11 . 1 1 45 45 ILE N N 45 120.438 120.438 117.956 2.482 18864 4492 1 11 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.103 0.316 18864 4493 1 11 . 1 1 45 45 ILE CA C 45 61.859 61.859 61.306 0.553 18864 4494 1 11 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.210 -1.081 18864 4495 1 11 . 1 1 45 45 ILE H H 45 9.238 9.238 8.513 0.725 18864 4496 1 11 . 1 1 46 46 ASP N N 46 120.068 120.068 122.149 -2.081 18864 4497 1 11 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.663 -0.285 18864 4498 1 11 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.064 -0.312 18864 4499 1 11 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.623 -0.207 18864 4500 1 11 . 1 1 46 46 ASP H H 46 7.488 7.488 7.670 -0.182 18864 4501 1 11 . 1 1 47 47 GLY N N 47 114.910 114.910 113.558 1.352 18864 4502 1 11 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.004 0.314 18864 4503 1 11 . 1 1 47 47 GLY H H 47 8.562 8.562 8.080 0.482 18864 4504 1 11 . 1 1 48 48 GLY N N 48 106.725 106.725 109.965 -3.240 18864 4505 1 11 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.984 -0.358 18864 4506 1 11 . 1 1 48 48 GLY H H 48 8.328 8.328 8.116 0.212 18864 4507 1 11 . 1 1 49 49 SER N N 49 110.646 110.646 118.243 -7.597 18864 4508 1 11 . 1 1 49 49 SER HA H 49 4.560 4.560 4.283 0.277 18864 4509 1 11 . 1 1 49 49 SER CA C 49 59.559 59.559 61.688 -2.129 18864 4510 1 11 . 1 1 49 49 SER CB C 49 65.469 65.469 63.232 2.237 18864 4511 1 11 . 1 1 49 49 SER H H 49 7.255 7.255 8.854 -1.599 18864 4512 1 11 . 1 1 50 50 ALA N N 50 130.821 130.821 125.805 5.016 18864 4513 1 11 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.007 -0.181 18864 4514 1 11 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.134 1.736 18864 4515 1 11 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.070 1.315 18864 4516 1 11 . 1 1 50 50 ALA H H 50 8.571 8.571 8.365 0.206 18864 4517 1 11 . 1 1 51 51 LYS N N 51 110.700 110.700 117.856 -7.156 18864 4518 1 11 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.091 0.146 18864 4519 1 11 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.528 -0.941 18864 4520 1 11 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.305 -0.187 18864 4521 1 11 . 1 1 51 51 LYS H H 51 7.761 7.761 8.586 -0.825 18864 4522 1 11 . 1 1 52 52 ARG N N 52 120.280 120.280 117.667 2.613 18864 4523 1 11 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.309 0.478 18864 4524 1 11 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.933 -1.731 18864 4525 1 11 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.124 -0.620 18864 4526 1 11 . 1 1 52 52 ARG H H 52 7.650 7.650 7.310 0.340 18864 4527 1 11 . 1 1 53 53 ASP N N 53 117.809 117.809 118.237 -0.428 18864 4528 1 11 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.304 0.097 18864 4529 1 11 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.740 0.607 18864 4530 1 11 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.920 -0.298 18864 4531 1 11 . 1 1 53 53 ASP H H 53 8.157 8.157 8.328 -0.171 18864 4532 1 11 . 1 1 54 54 GLY N N 54 104.041 104.041 103.592 0.449 18864 4533 1 11 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.039 -0.411 18864 4534 1 11 . 1 1 54 54 GLY H H 54 8.279 8.279 9.008 -0.729 18864 4535 1 11 . 1 1 55 55 SER N N 55 113.436 113.436 119.974 -6.538 18864 4536 1 11 . 1 1 55 55 SER HA H 55 4.578 4.578 4.406 0.172 18864 4537 1 11 . 1 1 55 55 SER CA C 55 59.851 59.851 58.624 1.227 18864 4538 1 11 . 1 1 55 55 SER CB C 55 64.102 64.102 61.753 2.349 18864 4539 1 11 . 1 1 55 55 SER H H 55 7.524 7.524 8.332 -0.808 18864 4540 1 11 . 1 1 56 56 LEU N N 56 126.328 126.328 125.139 1.189 18864 4541 1 11 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.966 0.525 18864 4542 1 11 . 1 1 56 56 LEU CA C 56 54.138 54.138 57.328 -3.190 18864 4543 1 11 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.093 1.167 18864 4544 1 11 . 1 1 56 56 LEU H H 56 8.818 8.818 8.374 0.444 18864 4545 1 11 . 1 1 57 57 GLY N N 57 107.077 107.077 103.824 3.253 18864 4546 1 11 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.786 0.409 18864 4547 1 11 . 1 1 57 57 GLY H H 57 8.072 8.072 8.053 0.019 18864 4548 1 11 . 1 1 58 58 TYR N N 58 115.734 115.734 121.974 -6.240 18864 4549 1 11 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.758 0.433 18864 4550 1 11 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.055 -0.205 18864 4551 1 11 . 1 1 58 58 TYR CB C 58 40.674 40.674 39.035 1.639 18864 4552 1 11 . 1 1 58 58 TYR H H 58 8.348 8.348 8.468 -0.120 18864 4553 1 11 . 1 1 59 59 PHE N N 59 118.174 118.174 119.221 -1.047 18864 4554 1 11 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.003 0.034 18864 4555 1 11 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.222 0.093 18864 4556 1 11 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.838 -0.248 18864 4557 1 11 . 1 1 59 59 PHE H H 59 9.136 9.136 8.099 1.037 18864 4558 1 11 . 1 1 60 60 GLY N N 60 106.839 106.839 108.547 -1.708 18864 4559 1 11 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.570 -0.409 18864 4560 1 11 . 1 1 60 60 GLY H H 60 8.594 8.594 8.615 -0.021 18864 4561 1 11 . 1 1 61 61 ARG N N 61 119.161 119.161 119.677 -0.516 18864 4562 1 11 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.326 -0.323 18864 4563 1 11 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.144 0.275 18864 4564 1 11 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.973 -0.675 18864 4565 1 11 . 1 1 61 61 ARG H H 61 8.833 8.833 8.681 0.152 18864 4566 1 11 . 1 1 62 62 GLY N N 62 112.714 112.714 112.917 -0.203 18864 4567 1 11 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.421 0.080 18864 4568 1 11 . 1 1 62 62 GLY H H 62 10.418 10.418 10.156 0.262 18864 4569 1 11 . 1 1 63 63 LYS N N 63 120.687 120.687 122.325 -1.638 18864 4570 1 11 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.130 0.256 18864 4571 1 11 . 1 1 63 63 LYS CA C 63 57.120 57.120 58.105 -0.985 18864 4572 1 11 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.673 2.189 18864 4573 1 11 . 1 1 63 63 LYS H H 63 7.706 7.706 7.954 -0.248 18864 4574 1 11 . 1 1 64 64 MET N N 64 117.704 117.704 118.026 -0.322 18864 4575 1 11 . 1 1 64 64 MET HA H 64 4.608 4.608 4.240 0.368 18864 4576 1 11 . 1 1 64 64 MET CA C 64 51.959 51.959 53.087 -1.128 18864 4577 1 11 . 1 1 64 64 MET CB C 64 33.012 33.012 32.641 0.371 18864 4578 1 11 . 1 1 64 64 MET H H 64 9.046 9.046 7.724 1.322 18864 4579 1 11 . 1 1 65 65 VAL N N 65 113.540 113.540 117.905 -4.365 18864 4580 1 11 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.076 0.137 18864 4581 1 11 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.220 0.120 18864 4582 1 11 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.797 0.004 18864 4583 1 11 . 1 1 65 65 VAL H H 65 8.043 8.043 8.185 -0.142 18864 4584 1 11 . 1 1 66 66 LYS N N 66 124.592 124.592 126.358 -1.766 18864 4585 1 11 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.313 -0.110 18864 4586 1 11 . 1 1 66 66 LYS CA C 66 61.422 61.422 60.980 0.443 18864 4587 1 11 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.557 0.876 18864 4588 1 11 . 1 1 66 66 LYS H H 66 8.877 8.877 8.994 -0.117 18864 4589 1 11 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.242 0.209 18864 4590 1 11 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.068 -0.019 18864 4591 1 11 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.410 -0.159 18864 4592 1 11 . 1 1 68 68 PHE N N 68 115.149 115.149 118.807 -3.658 18864 4593 1 11 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.015 -0.328 18864 4594 1 11 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.816 -1.060 18864 4595 1 11 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.922 1.260 18864 4596 1 11 . 1 1 68 68 PHE H H 68 6.997 6.997 8.143 -1.146 18864 4597 1 11 . 1 1 69 69 GLU N N 69 119.933 119.933 119.325 0.608 18864 4598 1 11 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.218 -0.222 18864 4599 1 11 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.082 0.882 18864 4600 1 11 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.531 1.394 18864 4601 1 11 . 1 1 69 69 GLU H H 69 8.562 8.562 8.459 0.103 18864 4602 1 11 . 1 1 70 70 ASP N N 70 116.956 116.956 120.017 -3.061 18864 4603 1 11 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.442 -0.057 18864 4604 1 11 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.431 -0.258 18864 4605 1 11 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.762 -0.574 18864 4606 1 11 . 1 1 70 70 ASP H H 70 9.074 9.074 8.589 0.485 18864 4607 1 11 . 1 1 71 71 ALA N N 71 117.745 117.745 122.196 -4.451 18864 4608 1 11 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.940 0.232 18864 4609 1 11 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.217 -0.902 18864 4610 1 11 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.370 2.132 18864 4611 1 11 . 1 1 71 71 ALA H H 71 6.888 6.888 7.976 -1.088 18864 4612 1 11 . 1 1 72 72 ALA N N 72 120.783 120.783 121.671 -0.888 18864 4613 1 11 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.844 -0.098 18864 4614 1 11 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.958 0.435 18864 4615 1 11 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.813 0.271 18864 4616 1 11 . 1 1 72 72 ALA H H 72 8.860 8.860 8.061 0.799 18864 4617 1 11 . 1 1 73 73 PHE N N 73 110.353 110.353 116.580 -6.227 18864 4618 1 11 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.156 -0.135 18864 4619 1 11 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.919 -0.353 18864 4620 1 11 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.839 -0.512 18864 4621 1 11 . 1 1 73 73 PHE H H 73 8.275 8.275 8.393 -0.118 18864 4622 1 11 . 1 1 74 74 ARG N N 74 116.189 116.189 119.030 -2.841 18864 4623 1 11 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.092 0.382 18864 4624 1 11 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.395 -3.029 18864 4625 1 11 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.588 1.112 18864 4626 1 11 . 1 1 74 74 ARG H H 74 7.047 7.047 8.126 -1.079 18864 4627 1 11 . 1 1 75 75 LEU N N 75 119.425 119.425 118.399 1.026 18864 4628 1 11 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.591 -0.312 18864 4629 1 11 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.419 1.582 18864 4630 1 11 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.528 2.617 18864 4631 1 11 . 1 1 75 75 LEU H H 75 7.033 7.033 7.750 -0.717 18864 4632 1 11 . 1 1 76 76 GLN N N 76 121.205 121.205 120.528 0.677 18864 4633 1 11 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.858 0.549 18864 4634 1 11 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.106 -4.647 18864 4635 1 11 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.311 1.309 18864 4636 1 11 . 1 1 76 76 GLN H H 76 9.087 9.087 7.702 1.385 18864 4637 1 11 . 1 1 77 77 VAL N N 77 121.809 121.809 118.662 3.147 18864 4638 1 11 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.674 0.729 18864 4639 1 11 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.555 3.028 18864 4640 1 11 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.758 -3.142 18864 4641 1 11 . 1 1 77 77 VAL H H 77 8.901 8.901 7.841 1.060 18864 4642 1 11 . 1 1 78 78 GLY N N 78 117.559 117.559 106.773 10.786 18864 4643 1 11 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.324 0.809 18864 4644 1 11 . 1 1 78 78 GLY H H 78 9.049 9.049 8.043 1.006 18864 4645 1 11 . 1 1 79 79 GLU N N 79 122.304 122.304 120.855 1.449 18864 4646 1 11 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.323 -0.056 18864 4647 1 11 . 1 1 79 79 GLU CA C 79 56.547 56.547 55.507 1.040 18864 4648 1 11 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.256 1.034 18864 4649 1 11 . 1 1 79 79 GLU H H 79 8.093 8.093 7.649 0.444 18864 4650 1 11 . 1 1 80 80 VAL N N 80 122.253 122.253 122.420 -0.167 18864 4651 1 11 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.284 0.762 18864 4652 1 11 . 1 1 80 80 VAL CA C 80 60.322 60.322 62.722 -2.400 18864 4653 1 11 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.093 1.464 18864 4654 1 11 . 1 1 80 80 VAL H H 80 8.133 8.133 8.299 -0.166 18864 4655 1 11 . 1 1 81 81 SER N N 81 125.484 125.484 124.097 1.387 18864 4656 1 11 . 1 1 81 81 SER HA H 81 4.346 4.346 4.385 -0.039 18864 4657 1 11 . 1 1 81 81 SER CA C 81 59.316 59.316 58.079 1.237 18864 4658 1 11 . 1 1 81 81 SER CB C 81 65.988 65.988 64.161 1.827 18864 4659 1 11 . 1 1 81 81 SER H H 81 9.927 9.927 8.737 1.190 18864 4660 1 11 . 1 1 82 82 GLU N N 82 116.381 116.381 121.469 -5.088 18864 4661 1 11 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.362 0.261 18864 4662 1 11 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.608 0.043 18864 4663 1 11 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.749 -0.419 18864 4664 1 11 . 1 1 82 82 GLU H H 82 7.986 7.986 8.604 -0.618 18864 4665 1 11 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.470 0.263 18864 4666 1 11 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.483 0.200 18864 4667 1 11 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.976 -0.534 18864 4668 1 11 . 1 1 84 84 VAL N N 84 127.594 127.594 125.911 1.683 18864 4669 1 11 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.305 0.056 18864 4670 1 11 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.597 0.654 18864 4671 1 11 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.425 3.185 18864 4672 1 11 . 1 1 84 84 VAL H H 84 9.630 9.630 9.186 0.444 18864 4673 1 11 . 1 1 85 85 LYS N N 85 130.184 130.184 130.583 -0.399 18864 4674 1 11 . 1 1 85 85 LYS HA H 85 4.280 4.280 3.803 0.477 18864 4675 1 11 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.424 -0.263 18864 4676 1 11 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.025 0.659 18864 4677 1 11 . 1 1 85 85 LYS H H 85 8.827 8.827 8.860 -0.033 18864 4678 1 11 . 1 1 86 86 SER N N 86 125.071 125.071 121.747 3.324 18864 4679 1 11 . 1 1 86 86 SER HA H 86 4.925 4.925 4.768 0.157 18864 4680 1 11 . 1 1 86 86 SER CA C 86 56.939 56.939 56.923 0.016 18864 4681 1 11 . 1 1 86 86 SER CB C 86 67.836 67.836 66.312 1.524 18864 4682 1 11 . 1 1 86 86 SER H H 86 9.594 9.594 8.485 1.109 18864 4683 1 11 . 1 1 87 87 GLU N N 87 118.510 118.510 119.206 -0.696 18864 4684 1 11 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.038 0.082 18864 4685 1 11 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.232 -0.147 18864 4686 1 11 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.206 0.174 18864 4687 1 11 . 1 1 87 87 GLU H H 87 9.615 9.615 8.902 0.713 18864 4688 1 11 . 1 1 88 88 PHE N N 88 118.385 118.385 119.760 -1.375 18864 4689 1 11 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.304 0.235 18864 4690 1 11 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.726 -1.225 18864 4691 1 11 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.996 0.163 18864 4692 1 11 . 1 1 88 88 PHE H H 88 8.817 8.817 7.799 1.018 18864 4693 1 11 . 1 1 89 89 GLY N N 89 107.269 107.269 104.285 2.984 18864 4694 1 11 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.721 0.367 18864 4695 1 11 . 1 1 89 89 GLY H H 89 7.405 7.405 7.775 -0.370 18864 4696 1 11 . 1 1 90 90 TYR N N 90 119.181 119.181 121.423 -2.242 18864 4697 1 11 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.495 -0.415 18864 4698 1 11 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.578 -0.242 18864 4699 1 11 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.388 1.441 18864 4700 1 11 . 1 1 90 90 TYR H H 90 9.119 9.119 8.456 0.663 18864 4701 1 11 . 1 1 91 91 HIS N N 91 120.399 120.399 122.680 -2.281 18864 4702 1 11 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.751 -0.194 18864 4703 1 11 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.044 0.402 18864 4704 1 11 . 1 1 91 91 HIS CB C 91 31.297 31.297 32.953 -1.657 18864 4705 1 11 . 1 1 91 91 HIS H H 91 9.879 9.879 9.686 0.193 18864 4706 1 11 . 1 1 92 92 VAL N N 92 122.606 122.606 122.838 -0.232 18864 4707 1 11 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.577 -0.590 18864 4708 1 11 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.678 2.250 18864 4709 1 11 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.324 -0.102 18864 4710 1 11 . 1 1 92 92 VAL H H 92 9.102 9.102 9.225 -0.123 18864 4711 1 11 . 1 1 93 93 ILE N N 93 128.087 128.087 128.367 -0.280 18864 4712 1 11 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.122 -0.343 18864 4713 1 11 . 1 1 93 93 ILE CA C 93 60.936 60.936 60.012 0.924 18864 4714 1 11 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.922 0.850 18864 4715 1 11 . 1 1 93 93 ILE H H 93 8.623 8.623 9.590 -0.967 18864 4716 1 11 . 1 1 94 94 LYS N N 94 125.877 125.877 126.584 -0.707 18864 4717 1 11 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.865 0.446 18864 4718 1 11 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.352 0.881 18864 4719 1 11 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.254 0.234 18864 4720 1 11 . 1 1 94 94 LYS H H 94 8.881 8.881 8.890 -0.009 18864 4721 1 11 . 1 1 95 95 ARG N N 95 126.274 126.274 124.133 2.141 18864 4722 1 11 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.113 0.910 18864 4723 1 11 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.216 -0.202 18864 4724 1 11 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.762 -1.005 18864 4725 1 11 . 1 1 95 95 ARG H H 95 7.955 7.955 8.491 -0.536 18864 4726 1 11 . 1 1 96 96 LEU N N 96 129.551 129.551 127.496 2.055 18864 4727 1 11 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.479 0.108 18864 4728 1 11 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.686 0.835 18864 4729 1 11 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.813 -0.429 18864 4730 1 11 . 1 1 96 96 LEU H H 96 9.017 9.017 8.694 0.323 18864 4731 1 12 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.525 -0.055 18864 4732 1 12 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.550 0.696 18864 4733 1 12 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.142 0.246 18864 4734 1 12 . 1 1 3 3 MET HA H 3 4.476 4.476 4.241 0.235 18864 4735 1 12 . 1 1 3 3 MET CA C 3 56.002 56.002 56.989 -0.987 18864 4736 1 12 . 1 1 3 3 MET CB C 3 32.025 32.025 32.803 -0.777 18864 4737 1 12 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.995 0.438 18864 4738 1 12 . 1 1 5 5 SER HA H 5 4.427 4.427 4.000 0.427 18864 4739 1 12 . 1 1 5 5 SER CA C 5 58.631 58.631 59.433 -0.802 18864 4740 1 12 . 1 1 5 5 SER CB C 5 64.117 64.117 62.299 1.818 18864 4741 1 12 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.173 0.252 18864 4742 1 12 . 1 1 7 7 ALA CA C 7 52.645 52.645 53.647 -1.002 18864 4743 1 12 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.567 1.049 18864 4744 1 12 . 1 1 8 8 ASP N N 8 119.103 119.103 118.549 0.554 18864 4745 1 12 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.440 0.181 18864 4746 1 12 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.614 -1.444 18864 4747 1 12 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.437 -0.062 18864 4748 1 12 . 1 1 8 8 ASP H H 8 8.353 8.353 8.220 0.133 18864 4749 1 12 . 1 1 9 9 LYS N N 9 117.781 117.781 118.319 -0.538 18864 4750 1 12 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.505 0.461 18864 4751 1 12 . 1 1 9 9 LYS CA C 9 55.367 55.367 56.299 -0.932 18864 4752 1 12 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.643 2.437 18864 4753 1 12 . 1 1 9 9 LYS H H 9 7.858 7.858 7.362 0.496 18864 4754 1 12 . 1 1 10 10 ILE N N 10 114.675 114.675 119.399 -4.724 18864 4755 1 12 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.131 0.383 18864 4756 1 12 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.630 -0.070 18864 4757 1 12 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.165 4.230 18864 4758 1 12 . 1 1 10 10 ILE H H 10 8.254 8.254 8.267 -0.013 18864 4759 1 12 . 1 1 11 11 LYS N N 11 121.626 121.626 127.809 -6.183 18864 4760 1 12 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.749 0.042 18864 4761 1 12 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.183 -2.272 18864 4762 1 12 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.821 1.782 18864 4763 1 12 . 1 1 11 11 LYS H H 11 7.974 7.974 8.762 -0.788 18864 4764 1 12 . 1 1 12 12 CYS N N 12 118.054 118.054 123.253 -5.199 18864 4765 1 12 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.266 0.372 18864 4766 1 12 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.307 0.351 18864 4767 1 12 . 1 1 12 12 CYS CB C 12 33.625 33.625 30.969 2.656 18864 4768 1 12 . 1 1 12 12 CYS H H 12 7.256 7.256 9.344 -2.088 18864 4769 1 12 . 1 1 13 13 SER N N 13 117.042 117.042 115.985 1.057 18864 4770 1 12 . 1 1 13 13 SER HA H 13 5.625 5.625 5.699 -0.075 18864 4771 1 12 . 1 1 13 13 SER CA C 13 56.017 56.017 57.231 -1.214 18864 4772 1 12 . 1 1 13 13 SER CB C 13 66.920 66.920 66.346 0.574 18864 4773 1 12 . 1 1 13 13 SER H H 13 9.186 9.186 8.932 0.254 18864 4774 1 12 . 1 1 14 14 HIS N N 14 119.162 119.162 121.271 -2.109 18864 4775 1 12 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.115 0.295 18864 4776 1 12 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.939 0.655 18864 4777 1 12 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.040 3.583 18864 4778 1 12 . 1 1 14 14 HIS H H 14 9.902 9.902 9.382 0.520 18864 4779 1 12 . 1 1 15 15 ILE N N 15 121.809 121.809 121.378 0.431 18864 4780 1 12 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.128 -0.691 18864 4781 1 12 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.738 2.138 18864 4782 1 12 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.492 0.300 18864 4783 1 12 . 1 1 15 15 ILE H H 15 8.913 8.913 9.204 -0.291 18864 4784 1 12 . 1 1 16 16 LEU N N 16 129.008 129.008 130.273 -1.265 18864 4785 1 12 . 1 1 16 16 LEU HA H 16 5.018 5.018 4.879 0.139 18864 4786 1 12 . 1 1 16 16 LEU CA C 16 52.663 52.663 54.027 -1.364 18864 4787 1 12 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.547 1.469 18864 4788 1 12 . 1 1 16 16 LEU H H 16 7.632 7.632 8.396 -0.764 18864 4789 1 12 . 1 1 17 17 VAL N N 17 117.991 117.991 122.346 -4.355 18864 4790 1 12 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.656 0.303 18864 4791 1 12 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.012 -0.171 18864 4792 1 12 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.655 0.134 18864 4793 1 12 . 1 1 17 17 VAL H H 17 9.025 9.025 9.085 -0.060 18864 4794 1 12 . 1 1 18 18 LYS N N 18 119.296 119.296 123.251 -3.955 18864 4795 1 12 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.156 0.245 18864 4796 1 12 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.448 -0.075 18864 4797 1 12 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.883 1.427 18864 4798 1 12 . 1 1 18 18 LYS H H 18 8.781 8.781 8.802 -0.021 18864 4799 1 12 . 1 1 19 19 LYS N N 19 114.107 114.107 117.958 -3.851 18864 4800 1 12 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.431 0.404 18864 4801 1 12 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.443 0.282 18864 4802 1 12 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.529 1.275 18864 4803 1 12 . 1 1 19 19 LYS H H 19 8.023 8.023 7.786 0.237 18864 4804 1 12 . 1 1 20 20 GLN N N 20 125.662 125.662 123.051 2.611 18864 4805 1 12 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.671 1.183 18864 4806 1 12 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.373 0.062 18864 4807 1 12 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.224 -0.255 18864 4808 1 12 . 1 1 20 20 GLN H H 20 8.795 8.795 8.689 0.106 18864 4809 1 12 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.954 0.043 18864 4810 1 12 . 1 1 22 22 GLU N N 22 119.712 119.712 122.540 -2.828 18864 4811 1 12 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.954 0.161 18864 4812 1 12 . 1 1 22 22 GLU CA C 22 58.122 58.122 58.938 -0.816 18864 4813 1 12 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.437 0.279 18864 4814 1 12 . 1 1 22 22 GLU H H 22 6.765 6.765 7.636 -0.871 18864 4815 1 12 . 1 1 23 23 ALA N N 23 124.106 124.106 123.601 0.505 18864 4816 1 12 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.946 -0.178 18864 4817 1 12 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.463 -0.558 18864 4818 1 12 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.375 -0.572 18864 4819 1 12 . 1 1 23 23 ALA H H 23 7.461 7.461 8.010 -0.549 18864 4820 1 12 . 1 1 24 24 LEU N N 24 118.772 118.772 119.027 -0.255 18864 4821 1 12 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.941 0.238 18864 4822 1 12 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.996 -0.159 18864 4823 1 12 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.797 0.407 18864 4824 1 12 . 1 1 24 24 LEU H H 24 7.989 7.989 8.574 -0.585 18864 4825 1 12 . 1 1 25 25 ALA N N 25 121.590 121.590 122.630 -1.040 18864 4826 1 12 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.944 0.252 18864 4827 1 12 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.297 -0.101 18864 4828 1 12 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.384 -0.487 18864 4829 1 12 . 1 1 25 25 ALA H H 25 7.472 7.472 8.469 -0.997 18864 4830 1 12 . 1 1 26 26 VAL N N 26 118.603 118.603 116.376 2.227 18864 4831 1 12 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.660 -0.390 18864 4832 1 12 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.524 1.783 18864 4833 1 12 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.043 1.369 18864 4834 1 12 . 1 1 26 26 VAL H H 26 7.633 7.633 8.208 -0.575 18864 4835 1 12 . 1 1 27 27 GLN N N 27 117.799 117.799 120.245 -2.446 18864 4836 1 12 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.980 -0.024 18864 4837 1 12 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.652 0.647 18864 4838 1 12 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.431 1.389 18864 4839 1 12 . 1 1 27 27 GLN H H 27 8.000 8.000 8.390 -0.390 18864 4840 1 12 . 1 1 28 28 GLU N N 28 118.775 118.775 120.033 -1.258 18864 4841 1 12 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.053 -0.036 18864 4842 1 12 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.232 0.343 18864 4843 1 12 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.481 0.129 18864 4844 1 12 . 1 1 28 28 GLU H H 28 8.107 8.107 8.713 -0.606 18864 4845 1 12 . 1 1 29 29 ARG N N 29 121.360 121.360 120.159 1.201 18864 4846 1 12 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.040 0.086 18864 4847 1 12 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.214 0.860 18864 4848 1 12 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.313 1.068 18864 4849 1 12 . 1 1 29 29 ARG H H 29 8.084 8.084 8.087 -0.003 18864 4850 1 12 . 1 1 30 30 LEU N N 30 120.289 120.289 120.842 -0.553 18864 4851 1 12 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.251 0.084 18864 4852 1 12 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.726 -0.054 18864 4853 1 12 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.163 0.577 18864 4854 1 12 . 1 1 30 30 LEU H H 30 8.379 8.379 8.854 -0.475 18864 4855 1 12 . 1 1 31 31 LYS N N 31 122.554 122.554 118.697 3.857 18864 4856 1 12 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.098 -0.045 18864 4857 1 12 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.045 1.383 18864 4858 1 12 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.315 1.004 18864 4859 1 12 . 1 1 31 31 LYS H H 31 8.280 8.280 7.561 0.719 18864 4860 1 12 . 1 1 32 32 ALA N N 32 119.271 119.271 120.238 -0.967 18864 4861 1 12 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.319 0.059 18864 4862 1 12 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.480 0.096 18864 4863 1 12 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.169 -0.348 18864 4864 1 12 . 1 1 32 32 ALA H H 32 7.557 7.557 8.295 -0.738 18864 4865 1 12 . 1 1 33 33 GLY N N 33 105.104 105.104 106.248 -1.144 18864 4866 1 12 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.681 0.064 18864 4867 1 12 . 1 1 33 33 GLY H H 33 7.758 7.758 8.312 -0.554 18864 4868 1 12 . 1 1 34 34 GLU N N 34 121.024 121.024 120.779 0.245 18864 4869 1 12 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.212 0.067 18864 4870 1 12 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.889 1.283 18864 4871 1 12 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.412 0.324 18864 4872 1 12 . 1 1 34 34 GLU H H 34 7.871 7.871 8.204 -0.333 18864 4873 1 12 . 1 1 35 35 LYS N N 35 121.214 121.214 121.094 0.120 18864 4874 1 12 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.350 -0.085 18864 4875 1 12 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.394 -0.076 18864 4876 1 12 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.959 0.103 18864 4877 1 12 . 1 1 35 35 LYS H H 35 8.776 8.776 8.492 0.284 18864 4878 1 12 . 1 1 36 36 PHE N N 36 125.726 125.726 125.115 0.611 18864 4879 1 12 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.184 -0.541 18864 4880 1 12 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.153 0.677 18864 4881 1 12 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.007 1.288 18864 4882 1 12 . 1 1 36 36 PHE H H 36 8.972 8.972 8.983 -0.011 18864 4883 1 12 . 1 1 37 37 GLY N N 37 103.959 103.959 106.362 -2.403 18864 4884 1 12 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.914 0.431 18864 4885 1 12 . 1 1 37 37 GLY H H 37 9.123 9.123 8.639 0.484 18864 4886 1 12 . 1 1 38 38 LYS N N 38 120.432 120.432 122.946 -2.514 18864 4887 1 12 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.131 -0.073 18864 4888 1 12 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.148 -0.119 18864 4889 1 12 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.280 0.375 18864 4890 1 12 . 1 1 38 38 LYS H H 38 6.683 6.683 7.955 -1.272 18864 4891 1 12 . 1 1 39 39 LEU N N 39 119.598 119.598 119.088 0.510 18864 4892 1 12 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.059 -0.152 18864 4893 1 12 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.795 -0.181 18864 4894 1 12 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.632 1.112 18864 4895 1 12 . 1 1 39 39 LEU H H 39 7.754 7.754 8.076 -0.322 18864 4896 1 12 . 1 1 40 40 ALA N N 40 121.385 121.385 122.347 -0.962 18864 4897 1 12 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.738 0.034 18864 4898 1 12 . 1 1 40 40 ALA CA C 40 55.875 55.875 55.427 0.448 18864 4899 1 12 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.019 -0.834 18864 4900 1 12 . 1 1 40 40 ALA H H 40 8.437 8.437 8.416 0.021 18864 4901 1 12 . 1 1 41 41 LYS N N 41 116.991 116.991 117.348 -0.357 18864 4902 1 12 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.016 -0.094 18864 4903 1 12 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.349 0.410 18864 4904 1 12 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.524 0.087 18864 4905 1 12 . 1 1 41 41 LYS H H 41 7.681 7.681 8.211 -0.530 18864 4906 1 12 . 1 1 42 42 GLU N N 42 117.121 117.121 117.020 0.101 18864 4907 1 12 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.138 -0.110 18864 4908 1 12 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.464 0.596 18864 4909 1 12 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.355 1.140 18864 4910 1 12 . 1 1 42 42 GLU H H 42 7.796 7.796 7.954 -0.158 18864 4911 1 12 . 1 1 43 43 LEU N N 43 112.754 112.754 117.044 -4.290 18864 4912 1 12 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.627 -0.088 18864 4913 1 12 . 1 1 43 43 LEU CA C 43 55.177 55.177 54.794 0.383 18864 4914 1 12 . 1 1 43 43 LEU CB C 43 45.062 45.062 44.437 0.625 18864 4915 1 12 . 1 1 43 43 LEU H H 43 8.305 8.305 8.289 0.016 18864 4916 1 12 . 1 1 44 44 SER N N 44 110.514 110.514 116.588 -6.074 18864 4917 1 12 . 1 1 44 44 SER HA H 44 4.707 4.707 4.475 0.232 18864 4918 1 12 . 1 1 44 44 SER CA C 44 57.490 57.490 59.244 -1.754 18864 4919 1 12 . 1 1 44 44 SER CB C 44 65.461 65.461 63.816 1.645 18864 4920 1 12 . 1 1 44 44 SER H H 44 8.255 8.255 7.784 0.471 18864 4921 1 12 . 1 1 45 45 ILE N N 45 120.438 120.438 114.750 5.688 18864 4922 1 12 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.386 0.033 18864 4923 1 12 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.190 1.669 18864 4924 1 12 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.661 -1.532 18864 4925 1 12 . 1 1 45 45 ILE H H 45 9.238 9.238 8.225 1.013 18864 4926 1 12 . 1 1 46 46 ASP N N 46 120.068 120.068 122.494 -2.426 18864 4927 1 12 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.675 -0.297 18864 4928 1 12 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.048 -0.297 18864 4929 1 12 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.736 -0.320 18864 4930 1 12 . 1 1 46 46 ASP H H 46 7.488 7.488 7.717 -0.229 18864 4931 1 12 . 1 1 47 47 GLY N N 47 114.910 114.910 114.543 0.367 18864 4932 1 12 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.218 0.100 18864 4933 1 12 . 1 1 47 47 GLY H H 47 8.562 8.562 8.118 0.444 18864 4934 1 12 . 1 1 48 48 GLY N N 48 106.725 106.725 109.713 -2.988 18864 4935 1 12 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.332 -0.706 18864 4936 1 12 . 1 1 48 48 GLY H H 48 8.328 8.328 8.231 0.097 18864 4937 1 12 . 1 1 49 49 SER N N 49 110.646 110.646 118.035 -7.389 18864 4938 1 12 . 1 1 49 49 SER HA H 49 4.560 4.560 4.338 0.222 18864 4939 1 12 . 1 1 49 49 SER CA C 49 59.559 59.559 60.714 -1.155 18864 4940 1 12 . 1 1 49 49 SER CB C 49 65.469 65.469 62.921 2.548 18864 4941 1 12 . 1 1 49 49 SER H H 49 7.255 7.255 8.032 -0.777 18864 4942 1 12 . 1 1 50 50 ALA N N 50 130.821 130.821 126.894 3.927 18864 4943 1 12 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.118 -0.292 18864 4944 1 12 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.801 2.069 18864 4945 1 12 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.271 1.114 18864 4946 1 12 . 1 1 50 50 ALA H H 50 8.571 8.571 8.706 -0.135 18864 4947 1 12 . 1 1 51 51 LYS N N 51 110.700 110.700 116.758 -6.058 18864 4948 1 12 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.046 0.191 18864 4949 1 12 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.952 -1.365 18864 4950 1 12 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.483 -0.365 18864 4951 1 12 . 1 1 51 51 LYS H H 51 7.761 7.761 8.440 -0.679 18864 4952 1 12 . 1 1 52 52 ARG N N 52 120.280 120.280 116.756 3.524 18864 4953 1 12 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.400 0.387 18864 4954 1 12 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.721 -1.519 18864 4955 1 12 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.311 -0.808 18864 4956 1 12 . 1 1 52 52 ARG H H 52 7.650 7.650 7.698 -0.048 18864 4957 1 12 . 1 1 53 53 ASP N N 53 117.809 117.809 118.490 -0.681 18864 4958 1 12 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.359 0.042 18864 4959 1 12 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.565 0.783 18864 4960 1 12 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.965 -0.343 18864 4961 1 12 . 1 1 53 53 ASP H H 53 8.157 8.157 8.488 -0.331 18864 4962 1 12 . 1 1 54 54 GLY N N 54 104.041 104.041 103.419 0.622 18864 4963 1 12 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.061 -0.433 18864 4964 1 12 . 1 1 54 54 GLY H H 54 8.279 8.279 9.014 -0.735 18864 4965 1 12 . 1 1 55 55 SER N N 55 113.436 113.436 119.524 -6.088 18864 4966 1 12 . 1 1 55 55 SER HA H 55 4.578 4.578 4.406 0.172 18864 4967 1 12 . 1 1 55 55 SER CA C 55 59.851 59.851 58.563 1.288 18864 4968 1 12 . 1 1 55 55 SER CB C 55 64.102 64.102 61.795 2.307 18864 4969 1 12 . 1 1 55 55 SER H H 55 7.524 7.524 8.390 -0.866 18864 4970 1 12 . 1 1 56 56 LEU N N 56 126.328 126.328 123.595 2.733 18864 4971 1 12 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.960 0.531 18864 4972 1 12 . 1 1 56 56 LEU CA C 56 54.138 54.138 57.154 -3.015 18864 4973 1 12 . 1 1 56 56 LEU CB C 56 43.260 43.260 41.896 1.364 18864 4974 1 12 . 1 1 56 56 LEU H H 56 8.818 8.818 8.784 0.034 18864 4975 1 12 . 1 1 57 57 GLY N N 57 107.077 107.077 103.974 3.103 18864 4976 1 12 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.701 0.494 18864 4977 1 12 . 1 1 57 57 GLY H H 57 8.072 8.072 7.999 0.073 18864 4978 1 12 . 1 1 58 58 TYR N N 58 115.734 115.734 120.234 -4.500 18864 4979 1 12 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.028 0.163 18864 4980 1 12 . 1 1 58 58 TYR CA C 58 57.850 57.850 55.552 2.298 18864 4981 1 12 . 1 1 58 58 TYR CB C 58 40.674 40.674 37.967 2.708 18864 4982 1 12 . 1 1 58 58 TYR H H 58 8.348 8.348 7.588 0.760 18864 4983 1 12 . 1 1 59 59 PHE N N 59 118.174 118.174 119.720 -1.546 18864 4984 1 12 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.041 -0.004 18864 4985 1 12 . 1 1 59 59 PHE CA C 59 56.315 56.315 55.941 0.374 18864 4986 1 12 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.864 -0.274 18864 4987 1 12 . 1 1 59 59 PHE H H 59 9.136 9.136 8.214 0.922 18864 4988 1 12 . 1 1 60 60 GLY N N 60 106.839 106.839 108.209 -1.370 18864 4989 1 12 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.487 -0.326 18864 4990 1 12 . 1 1 60 60 GLY H H 60 8.594 8.594 8.459 0.135 18864 4991 1 12 . 1 1 61 61 ARG N N 61 119.161 119.161 119.568 -0.407 18864 4992 1 12 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.480 -0.477 18864 4993 1 12 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.521 -0.102 18864 4994 1 12 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.841 -0.543 18864 4995 1 12 . 1 1 61 61 ARG H H 61 8.833 8.833 8.663 0.170 18864 4996 1 12 . 1 1 62 62 GLY N N 62 112.714 112.714 113.162 -0.448 18864 4997 1 12 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.491 0.010 18864 4998 1 12 . 1 1 62 62 GLY H H 62 10.418 10.418 10.145 0.273 18864 4999 1 12 . 1 1 63 63 LYS N N 63 120.687 120.687 120.335 0.352 18864 5000 1 12 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.120 0.266 18864 5001 1 12 . 1 1 63 63 LYS CA C 63 57.120 57.120 58.174 -1.054 18864 5002 1 12 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.749 2.113 18864 5003 1 12 . 1 1 63 63 LYS H H 63 7.706 7.706 7.958 -0.252 18864 5004 1 12 . 1 1 64 64 MET N N 64 117.704 117.704 117.175 0.529 18864 5005 1 12 . 1 1 64 64 MET HA H 64 4.608 4.608 4.367 0.241 18864 5006 1 12 . 1 1 64 64 MET CA C 64 51.959 51.959 52.659 -0.700 18864 5007 1 12 . 1 1 64 64 MET CB C 64 33.012 33.012 33.245 -0.233 18864 5008 1 12 . 1 1 64 64 MET H H 64 9.046 9.046 7.730 1.316 18864 5009 1 12 . 1 1 65 65 VAL N N 65 113.540 113.540 117.228 -3.688 18864 5010 1 12 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.162 0.051 18864 5011 1 12 . 1 1 65 65 VAL CA C 65 62.340 62.340 60.800 1.540 18864 5012 1 12 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.684 0.117 18864 5013 1 12 . 1 1 65 65 VAL H H 65 8.043 8.043 7.974 0.069 18864 5014 1 12 . 1 1 66 66 LYS N N 66 124.592 124.592 124.227 0.365 18864 5015 1 12 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.075 0.128 18864 5016 1 12 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.762 -0.340 18864 5017 1 12 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.275 0.158 18864 5018 1 12 . 1 1 66 66 LYS H H 66 8.877 8.877 8.890 -0.013 18864 5019 1 12 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.182 0.269 18864 5020 1 12 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.069 -0.020 18864 5021 1 12 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.383 -0.132 18864 5022 1 12 . 1 1 68 68 PHE N N 68 115.149 115.149 118.968 -3.819 18864 5023 1 12 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.995 -0.308 18864 5024 1 12 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.800 -1.044 18864 5025 1 12 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.910 1.272 18864 5026 1 12 . 1 1 68 68 PHE H H 68 6.997 6.997 7.815 -0.818 18864 5027 1 12 . 1 1 69 69 GLU N N 69 119.933 119.933 119.210 0.723 18864 5028 1 12 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.067 -0.071 18864 5029 1 12 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.894 1.070 18864 5030 1 12 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.573 1.352 18864 5031 1 12 . 1 1 69 69 GLU H H 69 8.562 8.562 8.381 0.181 18864 5032 1 12 . 1 1 70 70 ASP N N 70 116.956 116.956 120.476 -3.520 18864 5033 1 12 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.447 -0.062 18864 5034 1 12 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.561 -0.388 18864 5035 1 12 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.753 -0.565 18864 5036 1 12 . 1 1 70 70 ASP H H 70 9.074 9.074 8.562 0.512 18864 5037 1 12 . 1 1 71 71 ALA N N 71 117.745 117.745 121.565 -3.820 18864 5038 1 12 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.923 0.249 18864 5039 1 12 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.099 -0.784 18864 5040 1 12 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.438 2.064 18864 5041 1 12 . 1 1 71 71 ALA H H 71 6.888 6.888 7.928 -1.040 18864 5042 1 12 . 1 1 72 72 ALA N N 72 120.783 120.783 121.895 -1.112 18864 5043 1 12 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.825 -0.079 18864 5044 1 12 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.878 0.515 18864 5045 1 12 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.644 0.440 18864 5046 1 12 . 1 1 72 72 ALA H H 72 8.860 8.860 7.921 0.939 18864 5047 1 12 . 1 1 73 73 PHE N N 73 110.353 110.353 115.651 -5.298 18864 5048 1 12 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.252 -0.231 18864 5049 1 12 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.541 0.025 18864 5050 1 12 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.709 -0.382 18864 5051 1 12 . 1 1 73 73 PHE H H 73 8.275 8.275 8.167 0.108 18864 5052 1 12 . 1 1 74 74 ARG N N 74 116.189 116.189 119.328 -3.139 18864 5053 1 12 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.070 0.404 18864 5054 1 12 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.433 -3.066 18864 5055 1 12 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.391 1.309 18864 5056 1 12 . 1 1 74 74 ARG H H 74 7.047 7.047 7.840 -0.793 18864 5057 1 12 . 1 1 75 75 LEU N N 75 119.425 119.425 117.420 2.005 18864 5058 1 12 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.527 -0.248 18864 5059 1 12 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.085 0.916 18864 5060 1 12 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.838 2.307 18864 5061 1 12 . 1 1 75 75 LEU H H 75 7.033 7.033 7.949 -0.916 18864 5062 1 12 . 1 1 76 76 GLN N N 76 121.205 121.205 120.672 0.533 18864 5063 1 12 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.901 0.506 18864 5064 1 12 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.224 -4.765 18864 5065 1 12 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.301 1.319 18864 5066 1 12 . 1 1 76 76 GLN H H 76 9.087 9.087 7.721 1.366 18864 5067 1 12 . 1 1 77 77 VAL N N 77 121.809 121.809 117.349 4.460 18864 5068 1 12 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.767 0.636 18864 5069 1 12 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.630 2.953 18864 5070 1 12 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.237 -2.621 18864 5071 1 12 . 1 1 77 77 VAL H H 77 8.901 8.901 8.190 0.711 18864 5072 1 12 . 1 1 78 78 GLY N N 78 117.559 117.559 106.629 10.930 18864 5073 1 12 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.615 0.518 18864 5074 1 12 . 1 1 78 78 GLY H H 78 9.049 9.049 8.217 0.832 18864 5075 1 12 . 1 1 79 79 GLU N N 79 122.304 122.304 120.163 2.141 18864 5076 1 12 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.526 -0.259 18864 5077 1 12 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.091 0.456 18864 5078 1 12 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.530 0.760 18864 5079 1 12 . 1 1 79 79 GLU H H 79 8.093 8.093 7.749 0.344 18864 5080 1 12 . 1 1 80 80 VAL N N 80 122.253 122.253 119.166 3.087 18864 5081 1 12 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.314 0.732 18864 5082 1 12 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.059 -0.737 18864 5083 1 12 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.146 1.411 18864 5084 1 12 . 1 1 80 80 VAL H H 80 8.133 8.133 8.396 -0.263 18864 5085 1 12 . 1 1 81 81 SER N N 81 125.484 125.484 123.085 2.399 18864 5086 1 12 . 1 1 81 81 SER HA H 81 4.346 4.346 4.401 -0.055 18864 5087 1 12 . 1 1 81 81 SER CA C 81 59.316 59.316 58.147 1.169 18864 5088 1 12 . 1 1 81 81 SER CB C 81 65.988 65.988 63.559 2.429 18864 5089 1 12 . 1 1 81 81 SER H H 81 9.927 9.927 8.994 0.933 18864 5090 1 12 . 1 1 82 82 GLU N N 82 116.381 116.381 121.465 -5.084 18864 5091 1 12 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.368 0.255 18864 5092 1 12 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.752 -0.101 18864 5093 1 12 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.717 -0.387 18864 5094 1 12 . 1 1 82 82 GLU H H 82 7.986 7.986 8.600 -0.614 18864 5095 1 12 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.335 0.398 18864 5096 1 12 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.647 0.035 18864 5097 1 12 . 1 1 83 83 PRO CB C 83 31.442 31.442 32.016 -0.574 18864 5098 1 12 . 1 1 84 84 VAL N N 84 127.594 127.594 124.373 3.221 18864 5099 1 12 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.449 -0.088 18864 5100 1 12 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.807 0.444 18864 5101 1 12 . 1 1 84 84 VAL CB C 84 35.610 35.610 35.158 0.452 18864 5102 1 12 . 1 1 84 84 VAL H H 84 9.630 9.630 8.943 0.687 18864 5103 1 12 . 1 1 85 85 LYS N N 85 130.184 130.184 129.147 1.037 18864 5104 1 12 . 1 1 85 85 LYS HA H 85 4.280 4.280 5.115 -0.835 18864 5105 1 12 . 1 1 85 85 LYS CA C 85 56.161 56.161 54.688 1.473 18864 5106 1 12 . 1 1 85 85 LYS CB C 85 33.684 33.684 34.136 -0.452 18864 5107 1 12 . 1 1 85 85 LYS H H 85 8.827 8.827 8.675 0.152 18864 5108 1 12 . 1 1 86 86 SER N N 86 125.071 125.071 122.195 2.876 18864 5109 1 12 . 1 1 86 86 SER HA H 86 4.925 4.925 4.659 0.266 18864 5110 1 12 . 1 1 86 86 SER CA C 86 56.939 56.939 56.334 0.605 18864 5111 1 12 . 1 1 86 86 SER CB C 86 67.836 67.836 65.815 2.021 18864 5112 1 12 . 1 1 86 86 SER H H 86 9.594 9.594 9.010 0.584 18864 5113 1 12 . 1 1 87 87 GLU N N 87 118.510 118.510 119.388 -0.878 18864 5114 1 12 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.113 0.007 18864 5115 1 12 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.627 -0.542 18864 5116 1 12 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.442 -0.062 18864 5117 1 12 . 1 1 87 87 GLU H H 87 9.615 9.615 8.572 1.043 18864 5118 1 12 . 1 1 88 88 PHE N N 88 118.385 118.385 117.038 1.347 18864 5119 1 12 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.366 0.173 18864 5120 1 12 . 1 1 88 88 PHE CA C 88 58.501 58.501 57.993 0.508 18864 5121 1 12 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.503 0.656 18864 5122 1 12 . 1 1 88 88 PHE H H 88 8.817 8.817 7.405 1.412 18864 5123 1 12 . 1 1 89 89 GLY N N 89 107.269 107.269 103.980 3.289 18864 5124 1 12 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.961 0.127 18864 5125 1 12 . 1 1 89 89 GLY H H 89 7.405 7.405 7.811 -0.406 18864 5126 1 12 . 1 1 90 90 TYR N N 90 119.181 119.181 121.710 -2.529 18864 5127 1 12 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.773 -0.693 18864 5128 1 12 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.379 -0.043 18864 5129 1 12 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.807 1.022 18864 5130 1 12 . 1 1 90 90 TYR H H 90 9.119 9.119 7.851 1.268 18864 5131 1 12 . 1 1 91 91 HIS N N 91 120.399 120.399 121.133 -0.734 18864 5132 1 12 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.610 -0.053 18864 5133 1 12 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.120 0.326 18864 5134 1 12 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.909 -2.612 18864 5135 1 12 . 1 1 91 91 HIS H H 91 9.879 9.879 9.734 0.145 18864 5136 1 12 . 1 1 92 92 VAL N N 92 122.606 122.606 121.664 0.942 18864 5137 1 12 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.384 -0.397 18864 5138 1 12 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.721 2.207 18864 5139 1 12 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.945 -0.723 18864 5140 1 12 . 1 1 92 92 VAL H H 92 9.102 9.102 9.207 -0.105 18864 5141 1 12 . 1 1 93 93 ILE N N 93 128.087 128.087 127.586 0.501 18864 5142 1 12 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.210 -0.431 18864 5143 1 12 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.826 1.110 18864 5144 1 12 . 1 1 93 93 ILE CB C 93 41.772 41.772 41.065 0.707 18864 5145 1 12 . 1 1 93 93 ILE H H 93 8.623 8.623 9.584 -0.961 18864 5146 1 12 . 1 1 94 94 LYS N N 94 125.877 125.877 126.815 -0.938 18864 5147 1 12 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.127 0.184 18864 5148 1 12 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.197 1.036 18864 5149 1 12 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.869 -0.381 18864 5150 1 12 . 1 1 94 94 LYS H H 94 8.881 8.881 8.829 0.052 18864 5151 1 12 . 1 1 95 95 ARG N N 95 126.274 126.274 124.079 2.195 18864 5152 1 12 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.347 0.676 18864 5153 1 12 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.699 -0.685 18864 5154 1 12 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.029 -1.272 18864 5155 1 12 . 1 1 95 95 ARG H H 95 7.955 7.955 7.947 0.008 18864 5156 1 12 . 1 1 96 96 LEU N N 96 129.551 129.551 128.144 1.407 18864 5157 1 12 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.505 0.082 18864 5158 1 12 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.664 0.857 18864 5159 1 12 . 1 1 96 96 LEU CB C 96 44.384 44.384 45.229 -0.845 18864 5160 1 12 . 1 1 96 96 LEU H H 96 9.017 9.017 8.127 0.890 18864 5161 1 13 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.528 -0.058 18864 5162 1 13 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.277 0.969 18864 5163 1 13 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.283 0.105 18864 5164 1 13 . 1 1 3 3 MET HA H 3 4.476 4.476 4.249 0.227 18864 5165 1 13 . 1 1 3 3 MET CA C 3 56.002 56.002 56.820 -0.818 18864 5166 1 13 . 1 1 3 3 MET CB C 3 32.025 32.025 31.624 0.401 18864 5167 1 13 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.664 0.769 18864 5168 1 13 . 1 1 5 5 SER HA H 5 4.427 4.427 2.375 2.052 18864 5169 1 13 . 1 1 5 5 SER CA C 5 58.631 58.631 58.899 -0.268 18864 5170 1 13 . 1 1 5 5 SER CB C 5 64.117 64.117 63.062 1.055 18864 5171 1 13 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.101 0.324 18864 5172 1 13 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.648 -2.003 18864 5173 1 13 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.454 1.161 18864 5174 1 13 . 1 1 8 8 ASP N N 8 119.103 119.103 114.851 4.252 18864 5175 1 13 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.495 0.126 18864 5176 1 13 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.017 0.153 18864 5177 1 13 . 1 1 8 8 ASP CB C 8 41.375 41.375 40.232 1.143 18864 5178 1 13 . 1 1 8 8 ASP H H 8 8.353 8.353 8.562 -0.209 18864 5179 1 13 . 1 1 9 9 LYS N N 9 117.781 117.781 118.002 -0.221 18864 5180 1 13 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.619 0.347 18864 5181 1 13 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.685 0.682 18864 5182 1 13 . 1 1 9 9 LYS CB C 9 36.080 36.080 35.792 0.288 18864 5183 1 13 . 1 1 9 9 LYS H H 9 7.858 7.858 7.299 0.559 18864 5184 1 13 . 1 1 10 10 ILE N N 10 114.675 114.675 121.587 -6.912 18864 5185 1 13 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.001 0.513 18864 5186 1 13 . 1 1 10 10 ILE CA C 10 59.560 59.560 60.004 -0.444 18864 5187 1 13 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.556 3.840 18864 5188 1 13 . 1 1 10 10 ILE H H 10 8.254 8.254 8.614 -0.360 18864 5189 1 13 . 1 1 11 11 LYS N N 11 121.626 121.626 128.113 -6.487 18864 5190 1 13 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.506 0.285 18864 5191 1 13 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.255 -2.344 18864 5192 1 13 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.864 1.739 18864 5193 1 13 . 1 1 11 11 LYS H H 11 7.974 7.974 8.661 -0.687 18864 5194 1 13 . 1 1 12 12 CYS N N 12 118.054 118.054 123.582 -5.528 18864 5195 1 13 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.242 0.396 18864 5196 1 13 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.664 -0.006 18864 5197 1 13 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.659 1.966 18864 5198 1 13 . 1 1 12 12 CYS H H 12 7.256 7.256 9.182 -1.926 18864 5199 1 13 . 1 1 13 13 SER N N 13 117.042 117.042 117.096 -0.054 18864 5200 1 13 . 1 1 13 13 SER HA H 13 5.625 5.625 5.437 0.188 18864 5201 1 13 . 1 1 13 13 SER CA C 13 56.017 56.017 57.167 -1.150 18864 5202 1 13 . 1 1 13 13 SER CB C 13 66.920 66.920 64.800 2.120 18864 5203 1 13 . 1 1 13 13 SER H H 13 9.186 9.186 8.967 0.219 18864 5204 1 13 . 1 1 14 14 HIS N N 14 119.162 119.162 122.958 -3.796 18864 5205 1 13 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.305 0.105 18864 5206 1 13 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.088 0.506 18864 5207 1 13 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.084 3.539 18864 5208 1 13 . 1 1 14 14 HIS H H 14 9.902 9.902 9.651 0.251 18864 5209 1 13 . 1 1 15 15 ILE N N 15 121.809 121.809 123.396 -1.587 18864 5210 1 13 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.008 -0.571 18864 5211 1 13 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.815 2.061 18864 5212 1 13 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.694 0.099 18864 5213 1 13 . 1 1 15 15 ILE H H 15 8.913 8.913 9.323 -0.410 18864 5214 1 13 . 1 1 16 16 LEU N N 16 129.008 129.008 129.951 -0.943 18864 5215 1 13 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.018 0.000 18864 5216 1 13 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.624 -0.961 18864 5217 1 13 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.455 1.561 18864 5218 1 13 . 1 1 16 16 LEU H H 16 7.632 7.632 8.083 -0.451 18864 5219 1 13 . 1 1 17 17 VAL N N 17 117.991 117.991 120.071 -2.080 18864 5220 1 13 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.630 0.329 18864 5221 1 13 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.520 -0.679 18864 5222 1 13 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.152 -0.363 18864 5223 1 13 . 1 1 17 17 VAL H H 17 9.025 9.025 9.215 -0.190 18864 5224 1 13 . 1 1 18 18 LYS N N 18 119.296 119.296 120.923 -1.627 18864 5225 1 13 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.167 0.234 18864 5226 1 13 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.249 0.124 18864 5227 1 13 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.924 1.386 18864 5228 1 13 . 1 1 18 18 LYS H H 18 8.781 8.781 8.449 0.332 18864 5229 1 13 . 1 1 19 19 LYS N N 19 114.107 114.107 117.658 -3.551 18864 5230 1 13 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.476 0.359 18864 5231 1 13 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.537 0.188 18864 5232 1 13 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.694 1.110 18864 5233 1 13 . 1 1 19 19 LYS H H 19 8.023 8.023 8.054 -0.031 18864 5234 1 13 . 1 1 20 20 GLN N N 20 125.662 125.662 123.097 2.565 18864 5235 1 13 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.453 1.401 18864 5236 1 13 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.394 0.041 18864 5237 1 13 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.051 -0.082 18864 5238 1 13 . 1 1 20 20 GLN H H 20 8.795 8.795 8.580 0.215 18864 5239 1 13 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.681 0.316 18864 5240 1 13 . 1 1 22 22 GLU N N 22 119.712 119.712 122.457 -2.745 18864 5241 1 13 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.001 0.114 18864 5242 1 13 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.495 -1.373 18864 5243 1 13 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.372 0.344 18864 5244 1 13 . 1 1 22 22 GLU H H 22 6.765 6.765 8.333 -1.568 18864 5245 1 13 . 1 1 23 23 ALA N N 23 124.106 124.106 122.615 1.491 18864 5246 1 13 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.999 -0.231 18864 5247 1 13 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.282 -0.377 18864 5248 1 13 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.516 -0.713 18864 5249 1 13 . 1 1 23 23 ALA H H 23 7.461 7.461 7.973 -0.512 18864 5250 1 13 . 1 1 24 24 LEU N N 24 118.772 118.772 119.491 -0.719 18864 5251 1 13 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.912 0.267 18864 5252 1 13 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.749 0.088 18864 5253 1 13 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.576 -0.372 18864 5254 1 13 . 1 1 24 24 LEU H H 24 7.989 7.989 8.292 -0.303 18864 5255 1 13 . 1 1 25 25 ALA N N 25 121.590 121.590 122.294 -0.704 18864 5256 1 13 . 1 1 25 25 ALA HA H 25 4.196 4.196 4.033 0.163 18864 5257 1 13 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.100 0.096 18864 5258 1 13 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.474 -0.577 18864 5259 1 13 . 1 1 25 25 ALA H H 25 7.472 7.472 8.451 -0.979 18864 5260 1 13 . 1 1 26 26 VAL N N 26 118.603 118.603 115.450 3.153 18864 5261 1 13 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.527 -0.257 18864 5262 1 13 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.304 1.003 18864 5263 1 13 . 1 1 26 26 VAL CB C 26 31.412 31.412 31.181 0.231 18864 5264 1 13 . 1 1 26 26 VAL H H 26 7.633 7.633 7.949 -0.316 18864 5265 1 13 . 1 1 27 27 GLN N N 27 117.799 117.799 120.729 -2.930 18864 5266 1 13 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.907 0.049 18864 5267 1 13 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.799 0.500 18864 5268 1 13 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.711 1.109 18864 5269 1 13 . 1 1 27 27 GLN H H 27 8.000 8.000 8.325 -0.325 18864 5270 1 13 . 1 1 28 28 GLU N N 28 118.775 118.775 119.143 -0.368 18864 5271 1 13 . 1 1 28 28 GLU HA H 28 4.017 4.017 3.981 0.036 18864 5272 1 13 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.038 0.537 18864 5273 1 13 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.558 0.052 18864 5274 1 13 . 1 1 28 28 GLU H H 28 8.107 8.107 8.561 -0.454 18864 5275 1 13 . 1 1 29 29 ARG N N 29 121.360 121.360 120.430 0.930 18864 5276 1 13 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.082 0.044 18864 5277 1 13 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.638 1.436 18864 5278 1 13 . 1 1 29 29 ARG CB C 29 31.381 31.381 29.632 1.749 18864 5279 1 13 . 1 1 29 29 ARG H H 29 8.084 8.084 8.022 0.062 18864 5280 1 13 . 1 1 30 30 LEU N N 30 120.289 120.289 119.517 0.772 18864 5281 1 13 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.426 -0.091 18864 5282 1 13 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.978 -0.306 18864 5283 1 13 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.300 0.440 18864 5284 1 13 . 1 1 30 30 LEU H H 30 8.379 8.379 8.779 -0.400 18864 5285 1 13 . 1 1 31 31 LYS N N 31 122.554 122.554 118.335 4.219 18864 5286 1 13 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.160 -0.107 18864 5287 1 13 . 1 1 31 31 LYS CA C 31 59.429 59.429 57.760 1.669 18864 5288 1 13 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.084 1.235 18864 5289 1 13 . 1 1 31 31 LYS H H 31 8.280 8.280 7.784 0.496 18864 5290 1 13 . 1 1 32 32 ALA N N 32 119.271 119.271 120.611 -1.340 18864 5291 1 13 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.332 0.046 18864 5292 1 13 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.261 0.315 18864 5293 1 13 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.029 -0.208 18864 5294 1 13 . 1 1 32 32 ALA H H 32 7.557 7.557 7.909 -0.352 18864 5295 1 13 . 1 1 33 33 GLY N N 33 105.104 105.104 106.408 -1.304 18864 5296 1 13 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.850 -0.105 18864 5297 1 13 . 1 1 33 33 GLY H H 33 7.758 7.758 8.094 -0.336 18864 5298 1 13 . 1 1 34 34 GLU N N 34 121.024 121.024 120.680 0.344 18864 5299 1 13 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.453 -0.174 18864 5300 1 13 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.455 2.717 18864 5301 1 13 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.928 -0.192 18864 5302 1 13 . 1 1 34 34 GLU H H 34 7.871 7.871 7.588 0.283 18864 5303 1 13 . 1 1 35 35 LYS N N 35 121.214 121.214 120.835 0.379 18864 5304 1 13 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.310 -0.045 18864 5305 1 13 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.790 -0.473 18864 5306 1 13 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.164 -0.102 18864 5307 1 13 . 1 1 35 35 LYS H H 35 8.776 8.776 8.613 0.163 18864 5308 1 13 . 1 1 36 36 PHE N N 36 125.726 125.726 125.431 0.295 18864 5309 1 13 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.194 -0.551 18864 5310 1 13 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.157 0.673 18864 5311 1 13 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.078 1.217 18864 5312 1 13 . 1 1 36 36 PHE H H 36 8.972 8.972 8.946 0.026 18864 5313 1 13 . 1 1 37 37 GLY N N 37 103.959 103.959 105.494 -1.535 18864 5314 1 13 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.148 0.197 18864 5315 1 13 . 1 1 37 37 GLY H H 37 9.123 9.123 8.847 0.276 18864 5316 1 13 . 1 1 38 38 LYS N N 38 120.432 120.432 121.655 -1.223 18864 5317 1 13 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.038 0.020 18864 5318 1 13 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.057 -0.028 18864 5319 1 13 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.212 0.443 18864 5320 1 13 . 1 1 38 38 LYS H H 38 6.683 6.683 7.709 -1.026 18864 5321 1 13 . 1 1 39 39 LEU N N 39 119.598 119.598 119.180 0.418 18864 5322 1 13 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.089 -0.182 18864 5323 1 13 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.668 -0.054 18864 5324 1 13 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.539 1.205 18864 5325 1 13 . 1 1 39 39 LEU H H 39 7.754 7.754 8.011 -0.257 18864 5326 1 13 . 1 1 40 40 ALA N N 40 121.385 121.385 123.152 -1.767 18864 5327 1 13 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.998 -0.226 18864 5328 1 13 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.932 0.943 18864 5329 1 13 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.471 -1.286 18864 5330 1 13 . 1 1 40 40 ALA H H 40 8.437 8.437 8.453 -0.016 18864 5331 1 13 . 1 1 41 41 LYS N N 41 116.991 116.991 119.126 -2.135 18864 5332 1 13 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.023 -0.101 18864 5333 1 13 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.160 0.598 18864 5334 1 13 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.503 0.108 18864 5335 1 13 . 1 1 41 41 LYS H H 41 7.681 7.681 8.538 -0.857 18864 5336 1 13 . 1 1 42 42 GLU N N 42 117.121 117.121 118.208 -1.087 18864 5337 1 13 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.108 -0.080 18864 5338 1 13 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.980 0.080 18864 5339 1 13 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.300 1.195 18864 5340 1 13 . 1 1 42 42 GLU H H 42 7.796 7.796 8.035 -0.239 18864 5341 1 13 . 1 1 43 43 LEU N N 43 112.754 112.754 113.436 -0.682 18864 5342 1 13 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.648 -0.109 18864 5343 1 13 . 1 1 43 43 LEU CA C 43 55.177 55.177 54.856 0.321 18864 5344 1 13 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.148 1.914 18864 5345 1 13 . 1 1 43 43 LEU H H 43 8.305 8.305 7.960 0.345 18864 5346 1 13 . 1 1 44 44 SER N N 44 110.514 110.514 116.765 -6.251 18864 5347 1 13 . 1 1 44 44 SER HA H 44 4.707 4.707 4.537 0.170 18864 5348 1 13 . 1 1 44 44 SER CA C 44 57.490 57.490 59.783 -2.293 18864 5349 1 13 . 1 1 44 44 SER CB C 44 65.461 65.461 63.761 1.700 18864 5350 1 13 . 1 1 44 44 SER H H 44 8.255 8.255 7.464 0.791 18864 5351 1 13 . 1 1 45 45 ILE N N 45 120.438 120.438 116.340 4.098 18864 5352 1 13 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.183 0.236 18864 5353 1 13 . 1 1 45 45 ILE CA C 45 61.859 61.859 61.270 0.589 18864 5354 1 13 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.297 -1.167 18864 5355 1 13 . 1 1 45 45 ILE H H 45 9.238 9.238 8.624 0.614 18864 5356 1 13 . 1 1 46 46 ASP N N 46 120.068 120.068 121.678 -1.610 18864 5357 1 13 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.684 -0.306 18864 5358 1 13 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.043 -0.291 18864 5359 1 13 . 1 1 46 46 ASP CB C 46 40.416 40.416 41.783 -1.367 18864 5360 1 13 . 1 1 46 46 ASP H H 46 7.488 7.488 7.474 0.014 18864 5361 1 13 . 1 1 47 47 GLY N N 47 114.910 114.910 114.639 0.271 18864 5362 1 13 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.843 0.475 18864 5363 1 13 . 1 1 47 47 GLY H H 47 8.562 8.562 8.716 -0.153 18864 5364 1 13 . 1 1 48 48 GLY N N 48 106.725 106.725 109.300 -2.575 18864 5365 1 13 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.243 -0.618 18864 5366 1 13 . 1 1 48 48 GLY H H 48 8.328 8.328 9.210 -0.882 18864 5367 1 13 . 1 1 49 49 SER N N 49 110.646 110.646 118.136 -7.490 18864 5368 1 13 . 1 1 49 49 SER HA H 49 4.560 4.560 4.306 0.254 18864 5369 1 13 . 1 1 49 49 SER CA C 49 59.559 59.559 61.982 -2.423 18864 5370 1 13 . 1 1 49 49 SER CB C 49 65.469 65.469 63.064 2.405 18864 5371 1 13 . 1 1 49 49 SER H H 49 7.255 7.255 8.096 -0.841 18864 5372 1 13 . 1 1 50 50 ALA N N 50 130.821 130.821 126.005 4.816 18864 5373 1 13 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.176 -0.350 18864 5374 1 13 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.040 1.830 18864 5375 1 13 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.483 0.902 18864 5376 1 13 . 1 1 50 50 ALA H H 50 8.571 8.571 7.510 1.061 18864 5377 1 13 . 1 1 51 51 LYS N N 51 110.700 110.700 117.673 -6.973 18864 5378 1 13 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.123 0.114 18864 5379 1 13 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.690 -1.103 18864 5380 1 13 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.403 -0.285 18864 5381 1 13 . 1 1 51 51 LYS H H 51 7.761 7.761 8.604 -0.843 18864 5382 1 13 . 1 1 52 52 ARG N N 52 120.280 120.280 117.027 3.253 18864 5383 1 13 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.495 0.292 18864 5384 1 13 . 1 1 52 52 ARG CA C 52 54.202 54.202 54.081 0.121 18864 5385 1 13 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.036 -0.532 18864 5386 1 13 . 1 1 52 52 ARG H H 52 7.650 7.650 8.605 -0.955 18864 5387 1 13 . 1 1 53 53 ASP N N 53 117.809 117.809 116.163 1.646 18864 5388 1 13 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.386 0.015 18864 5389 1 13 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.192 1.155 18864 5390 1 13 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.681 -0.059 18864 5391 1 13 . 1 1 53 53 ASP H H 53 8.157 8.157 7.588 0.569 18864 5392 1 13 . 1 1 54 54 GLY N N 54 104.041 104.041 106.087 -2.046 18864 5393 1 13 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.389 -0.762 18864 5394 1 13 . 1 1 54 54 GLY H H 54 8.279 8.279 9.067 -0.788 18864 5395 1 13 . 1 1 55 55 SER N N 55 113.436 113.436 120.905 -7.469 18864 5396 1 13 . 1 1 55 55 SER HA H 55 4.578 4.578 4.281 0.297 18864 5397 1 13 . 1 1 55 55 SER CA C 55 59.851 59.851 58.887 0.964 18864 5398 1 13 . 1 1 55 55 SER CB C 55 64.102 64.102 61.996 2.106 18864 5399 1 13 . 1 1 55 55 SER H H 55 7.524 7.524 8.118 -0.594 18864 5400 1 13 . 1 1 56 56 LEU N N 56 126.328 126.328 124.901 1.427 18864 5401 1 13 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.969 0.522 18864 5402 1 13 . 1 1 56 56 LEU CA C 56 54.138 54.138 57.052 -2.914 18864 5403 1 13 . 1 1 56 56 LEU CB C 56 43.260 43.260 41.947 1.313 18864 5404 1 13 . 1 1 56 56 LEU H H 56 8.818 8.818 8.498 0.320 18864 5405 1 13 . 1 1 57 57 GLY N N 57 107.077 107.077 103.753 3.324 18864 5406 1 13 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.468 0.727 18864 5407 1 13 . 1 1 57 57 GLY H H 57 8.072 8.072 7.868 0.204 18864 5408 1 13 . 1 1 58 58 TYR N N 58 115.734 115.734 121.662 -5.928 18864 5409 1 13 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.764 0.427 18864 5410 1 13 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.106 -0.256 18864 5411 1 13 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.633 2.041 18864 5412 1 13 . 1 1 58 58 TYR H H 58 8.348 8.348 8.363 -0.015 18864 5413 1 13 . 1 1 59 59 PHE N N 59 118.174 118.174 118.687 -0.513 18864 5414 1 13 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.973 0.064 18864 5415 1 13 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.167 0.148 18864 5416 1 13 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.564 0.026 18864 5417 1 13 . 1 1 59 59 PHE H H 59 9.136 9.136 8.382 0.754 18864 5418 1 13 . 1 1 60 60 GLY N N 60 106.839 106.839 108.531 -1.692 18864 5419 1 13 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.459 -0.298 18864 5420 1 13 . 1 1 60 60 GLY H H 60 8.594 8.594 8.530 0.064 18864 5421 1 13 . 1 1 61 61 ARG N N 61 119.161 119.161 118.799 0.362 18864 5422 1 13 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.433 -0.430 18864 5423 1 13 . 1 1 61 61 ARG CA C 61 57.419 57.419 56.798 0.621 18864 5424 1 13 . 1 1 61 61 ARG CB C 61 30.298 30.298 31.191 -0.893 18864 5425 1 13 . 1 1 61 61 ARG H H 61 8.833 8.833 8.536 0.297 18864 5426 1 13 . 1 1 62 62 GLY N N 62 112.714 112.714 113.531 -0.817 18864 5427 1 13 . 1 1 62 62 GLY CA C 62 45.501 45.501 46.401 -0.900 18864 5428 1 13 . 1 1 62 62 GLY H H 62 10.418 10.418 10.061 0.357 18864 5429 1 13 . 1 1 63 63 LYS N N 63 120.687 120.687 120.466 0.221 18864 5430 1 13 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.182 0.204 18864 5431 1 13 . 1 1 63 63 LYS CA C 63 57.120 57.120 58.037 -0.917 18864 5432 1 13 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.839 2.023 18864 5433 1 13 . 1 1 63 63 LYS H H 63 7.706 7.706 8.111 -0.405 18864 5434 1 13 . 1 1 64 64 MET N N 64 117.704 117.704 116.822 0.882 18864 5435 1 13 . 1 1 64 64 MET HA H 64 4.608 4.608 4.482 0.126 18864 5436 1 13 . 1 1 64 64 MET CA C 64 51.959 51.959 53.678 -1.719 18864 5437 1 13 . 1 1 64 64 MET CB C 64 33.012 33.012 35.269 -2.257 18864 5438 1 13 . 1 1 64 64 MET H H 64 9.046 9.046 8.828 0.218 18864 5439 1 13 . 1 1 65 65 VAL N N 65 113.540 113.540 118.191 -4.651 18864 5440 1 13 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.935 0.278 18864 5441 1 13 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.214 0.126 18864 5442 1 13 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.837 -0.035 18864 5443 1 13 . 1 1 65 65 VAL H H 65 8.043 8.043 7.982 0.061 18864 5444 1 13 . 1 1 66 66 LYS N N 66 124.592 124.592 127.941 -3.349 18864 5445 1 13 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.107 0.096 18864 5446 1 13 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.267 0.155 18864 5447 1 13 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.286 0.147 18864 5448 1 13 . 1 1 66 66 LYS H H 66 8.877 8.877 8.926 -0.049 18864 5449 1 13 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.176 0.275 18864 5450 1 13 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.094 -0.045 18864 5451 1 13 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.317 -0.066 18864 5452 1 13 . 1 1 68 68 PHE N N 68 115.149 115.149 118.930 -3.781 18864 5453 1 13 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.973 -0.286 18864 5454 1 13 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.726 -0.970 18864 5455 1 13 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.929 1.253 18864 5456 1 13 . 1 1 68 68 PHE H H 68 6.997 6.997 7.948 -0.951 18864 5457 1 13 . 1 1 69 69 GLU N N 69 119.933 119.933 119.094 0.839 18864 5458 1 13 . 1 1 69 69 GLU HA H 69 3.996 3.996 3.970 0.026 18864 5459 1 13 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.738 1.226 18864 5460 1 13 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.602 1.323 18864 5461 1 13 . 1 1 69 69 GLU H H 69 8.562 8.562 8.251 0.311 18864 5462 1 13 . 1 1 70 70 ASP N N 70 116.956 116.956 120.180 -3.224 18864 5463 1 13 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.579 -0.194 18864 5464 1 13 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.436 -0.263 18864 5465 1 13 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.839 -0.651 18864 5466 1 13 . 1 1 70 70 ASP H H 70 9.074 9.074 8.749 0.325 18864 5467 1 13 . 1 1 71 71 ALA N N 71 117.745 117.745 121.054 -3.309 18864 5468 1 13 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.123 0.049 18864 5469 1 13 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.783 -0.468 18864 5470 1 13 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.314 2.188 18864 5471 1 13 . 1 1 71 71 ALA H H 71 6.888 6.888 7.823 -0.935 18864 5472 1 13 . 1 1 72 72 ALA N N 72 120.783 120.783 121.538 -0.755 18864 5473 1 13 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.836 -0.090 18864 5474 1 13 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.511 0.882 18864 5475 1 13 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.442 0.642 18864 5476 1 13 . 1 1 72 72 ALA H H 72 8.860 8.860 7.721 1.139 18864 5477 1 13 . 1 1 73 73 PHE N N 73 110.353 110.353 116.411 -6.058 18864 5478 1 13 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.196 -0.175 18864 5479 1 13 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.459 0.107 18864 5480 1 13 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.512 -0.185 18864 5481 1 13 . 1 1 73 73 PHE H H 73 8.275 8.275 8.249 0.026 18864 5482 1 13 . 1 1 74 74 ARG N N 74 116.189 116.189 118.434 -2.245 18864 5483 1 13 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.166 0.308 18864 5484 1 13 . 1 1 74 74 ARG CA C 74 56.367 56.367 57.895 -1.528 18864 5485 1 13 . 1 1 74 74 ARG CB C 74 31.700 31.700 29.853 1.847 18864 5486 1 13 . 1 1 74 74 ARG H H 74 7.047 7.047 7.692 -0.645 18864 5487 1 13 . 1 1 75 75 LEU N N 75 119.425 119.425 119.110 0.315 18864 5488 1 13 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.567 -0.288 18864 5489 1 13 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.523 1.478 18864 5490 1 13 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.774 2.371 18864 5491 1 13 . 1 1 75 75 LEU H H 75 7.033 7.033 7.511 -0.477 18864 5492 1 13 . 1 1 76 76 GLN N N 76 121.205 121.205 120.441 0.764 18864 5493 1 13 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.818 0.589 18864 5494 1 13 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.310 -4.851 18864 5495 1 13 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.273 1.347 18864 5496 1 13 . 1 1 76 76 GLN H H 76 9.087 9.087 7.811 1.276 18864 5497 1 13 . 1 1 77 77 VAL N N 77 121.809 121.809 116.805 5.004 18864 5498 1 13 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.711 0.692 18864 5499 1 13 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.543 3.039 18864 5500 1 13 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.816 -3.200 18864 5501 1 13 . 1 1 77 77 VAL H H 77 8.901 8.901 8.027 0.875 18864 5502 1 13 . 1 1 78 78 GLY N N 78 117.559 117.559 105.688 11.871 18864 5503 1 13 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.551 0.582 18864 5504 1 13 . 1 1 78 78 GLY H H 78 9.049 9.049 8.254 0.795 18864 5505 1 13 . 1 1 79 79 GLU N N 79 122.304 122.304 121.219 1.085 18864 5506 1 13 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.416 -0.149 18864 5507 1 13 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.404 0.143 18864 5508 1 13 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.591 0.699 18864 5509 1 13 . 1 1 79 79 GLU H H 79 8.093 8.093 7.875 0.218 18864 5510 1 13 . 1 1 80 80 VAL N N 80 122.253 122.253 119.130 3.123 18864 5511 1 13 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.284 0.762 18864 5512 1 13 . 1 1 80 80 VAL CA C 80 60.322 60.322 60.935 -0.613 18864 5513 1 13 . 1 1 80 80 VAL CB C 80 33.557 33.557 33.317 0.240 18864 5514 1 13 . 1 1 80 80 VAL H H 80 8.133 8.133 8.282 -0.149 18864 5515 1 13 . 1 1 81 81 SER N N 81 125.484 125.484 123.566 1.918 18864 5516 1 13 . 1 1 81 81 SER HA H 81 4.346 4.346 4.364 -0.018 18864 5517 1 13 . 1 1 81 81 SER CA C 81 59.316 59.316 58.585 0.731 18864 5518 1 13 . 1 1 81 81 SER CB C 81 65.988 65.988 64.061 1.927 18864 5519 1 13 . 1 1 81 81 SER H H 81 9.927 9.927 8.969 0.958 18864 5520 1 13 . 1 1 82 82 GLU N N 82 116.381 116.381 121.724 -5.343 18864 5521 1 13 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.434 0.189 18864 5522 1 13 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.165 0.486 18864 5523 1 13 . 1 1 82 82 GLU CB C 82 28.330 28.330 29.165 -0.835 18864 5524 1 13 . 1 1 82 82 GLU H H 82 7.986 7.986 8.519 -0.533 18864 5525 1 13 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.474 0.259 18864 5526 1 13 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.886 -0.204 18864 5527 1 13 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.914 -0.472 18864 5528 1 13 . 1 1 84 84 VAL N N 84 127.594 127.594 126.447 1.147 18864 5529 1 13 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.301 0.060 18864 5530 1 13 . 1 1 84 84 VAL CA C 84 61.251 61.251 61.361 -0.110 18864 5531 1 13 . 1 1 84 84 VAL CB C 84 35.610 35.610 33.411 2.199 18864 5532 1 13 . 1 1 84 84 VAL H H 84 9.630 9.630 9.265 0.365 18864 5533 1 13 . 1 1 85 85 LYS N N 85 130.184 130.184 130.506 -0.322 18864 5534 1 13 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.196 0.084 18864 5535 1 13 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.108 0.053 18864 5536 1 13 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.069 0.615 18864 5537 1 13 . 1 1 85 85 LYS H H 85 8.827 8.827 8.766 0.061 18864 5538 1 13 . 1 1 86 86 SER N N 86 125.071 125.071 121.956 3.115 18864 5539 1 13 . 1 1 86 86 SER HA H 86 4.925 4.925 4.665 0.260 18864 5540 1 13 . 1 1 86 86 SER CA C 86 56.939 56.939 56.617 0.322 18864 5541 1 13 . 1 1 86 86 SER CB C 86 67.836 67.836 66.094 1.742 18864 5542 1 13 . 1 1 86 86 SER H H 86 9.594 9.594 8.848 0.746 18864 5543 1 13 . 1 1 87 87 GLU N N 87 118.510 118.510 119.849 -1.339 18864 5544 1 13 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.126 -0.006 18864 5545 1 13 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.814 -0.729 18864 5546 1 13 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.474 -0.094 18864 5547 1 13 . 1 1 87 87 GLU H H 87 9.615 9.615 8.705 0.910 18864 5548 1 13 . 1 1 88 88 PHE N N 88 118.385 118.385 116.837 1.548 18864 5549 1 13 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.374 0.165 18864 5550 1 13 . 1 1 88 88 PHE CA C 88 58.501 58.501 57.926 0.575 18864 5551 1 13 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.511 0.648 18864 5552 1 13 . 1 1 88 88 PHE H H 88 8.817 8.817 7.473 1.343 18864 5553 1 13 . 1 1 89 89 GLY N N 89 107.269 107.269 104.234 3.035 18864 5554 1 13 . 1 1 89 89 GLY CA C 89 45.088 45.088 45.028 0.060 18864 5555 1 13 . 1 1 89 89 GLY H H 89 7.405 7.405 7.868 -0.463 18864 5556 1 13 . 1 1 90 90 TYR N N 90 119.181 119.181 121.813 -2.632 18864 5557 1 13 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.499 -0.419 18864 5558 1 13 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.407 -0.071 18864 5559 1 13 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.817 1.012 18864 5560 1 13 . 1 1 90 90 TYR H H 90 9.119 9.119 8.030 1.089 18864 5561 1 13 . 1 1 91 91 HIS N N 91 120.399 120.399 122.002 -1.603 18864 5562 1 13 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.763 -0.206 18864 5563 1 13 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.264 0.182 18864 5564 1 13 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.680 -2.383 18864 5565 1 13 . 1 1 91 91 HIS H H 91 9.879 9.879 9.652 0.227 18864 5566 1 13 . 1 1 92 92 VAL N N 92 122.606 122.606 123.028 -0.422 18864 5567 1 13 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.789 -0.802 18864 5568 1 13 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.520 2.408 18864 5569 1 13 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.841 -0.619 18864 5570 1 13 . 1 1 92 92 VAL H H 92 9.102 9.102 9.312 -0.210 18864 5571 1 13 . 1 1 93 93 ILE N N 93 128.087 128.087 128.300 -0.213 18864 5572 1 13 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.161 -0.382 18864 5573 1 13 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.953 0.983 18864 5574 1 13 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.584 1.188 18864 5575 1 13 . 1 1 93 93 ILE H H 93 8.623 8.623 9.719 -1.096 18864 5576 1 13 . 1 1 94 94 LYS N N 94 125.877 125.877 127.640 -1.763 18864 5577 1 13 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.208 0.103 18864 5578 1 13 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.793 0.440 18864 5579 1 13 . 1 1 94 94 LYS CB C 94 36.488 36.488 35.884 0.604 18864 5580 1 13 . 1 1 94 94 LYS H H 94 8.881 8.881 8.948 -0.067 18864 5581 1 13 . 1 1 95 95 ARG N N 95 126.274 126.274 124.576 1.698 18864 5582 1 13 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.209 0.814 18864 5583 1 13 . 1 1 95 95 ARG CA C 95 56.014 56.014 55.847 0.167 18864 5584 1 13 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.980 -1.224 18864 5585 1 13 . 1 1 95 95 ARG H H 95 7.955 7.955 8.252 -0.297 18864 5586 1 13 . 1 1 96 96 LEU N N 96 129.551 129.551 127.436 2.115 18864 5587 1 13 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.446 0.141 18864 5588 1 13 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.547 0.974 18864 5589 1 13 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.455 -0.071 18864 5590 1 13 . 1 1 96 96 LEU H H 96 9.017 9.017 8.571 0.446 18864 5591 1 14 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.537 -0.067 18864 5592 1 14 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.684 0.561 18864 5593 1 14 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.388 0.000 18864 5594 1 14 . 1 1 3 3 MET HA H 3 4.476 4.476 4.158 0.318 18864 5595 1 14 . 1 1 3 3 MET CA C 3 56.002 56.002 57.319 -1.317 18864 5596 1 14 . 1 1 3 3 MET CB C 3 32.025 32.025 32.498 -0.473 18864 5597 1 14 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.858 0.575 18864 5598 1 14 . 1 1 5 5 SER HA H 5 4.427 4.427 4.712 -0.285 18864 5599 1 14 . 1 1 5 5 SER CA C 5 58.631 58.631 58.003 0.628 18864 5600 1 14 . 1 1 5 5 SER CB C 5 64.117 64.117 64.052 0.065 18864 5601 1 14 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.206 0.219 18864 5602 1 14 . 1 1 7 7 ALA CA C 7 52.645 52.645 53.744 -1.099 18864 5603 1 14 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.203 1.413 18864 5604 1 14 . 1 1 8 8 ASP N N 8 119.103 119.103 117.419 1.684 18864 5605 1 14 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.478 0.143 18864 5606 1 14 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.145 -0.975 18864 5607 1 14 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.008 0.367 18864 5608 1 14 . 1 1 8 8 ASP H H 8 8.353 8.353 8.281 0.072 18864 5609 1 14 . 1 1 9 9 LYS N N 9 117.781 117.781 116.162 1.619 18864 5610 1 14 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.825 0.141 18864 5611 1 14 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.543 0.824 18864 5612 1 14 . 1 1 9 9 LYS CB C 9 36.080 36.080 36.492 -0.412 18864 5613 1 14 . 1 1 9 9 LYS H H 9 7.858 7.858 7.850 0.008 18864 5614 1 14 . 1 1 10 10 ILE N N 10 114.675 114.675 121.198 -6.523 18864 5615 1 14 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.062 0.452 18864 5616 1 14 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.896 -0.336 18864 5617 1 14 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.777 3.618 18864 5618 1 14 . 1 1 10 10 ILE H H 10 8.254 8.254 8.379 -0.124 18864 5619 1 14 . 1 1 11 11 LYS N N 11 121.626 121.626 128.155 -6.529 18864 5620 1 14 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.599 0.192 18864 5621 1 14 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.367 -2.456 18864 5622 1 14 . 1 1 11 11 LYS CB C 11 33.603 33.603 32.125 1.478 18864 5623 1 14 . 1 1 11 11 LYS H H 11 7.974 7.974 8.763 -0.789 18864 5624 1 14 . 1 1 12 12 CYS N N 12 118.054 118.054 123.101 -5.047 18864 5625 1 14 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.206 0.432 18864 5626 1 14 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.380 0.279 18864 5627 1 14 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.581 2.044 18864 5628 1 14 . 1 1 12 12 CYS H H 12 7.256 7.256 9.217 -1.961 18864 5629 1 14 . 1 1 13 13 SER N N 13 117.042 117.042 116.558 0.484 18864 5630 1 14 . 1 1 13 13 SER HA H 13 5.625 5.625 5.776 -0.151 18864 5631 1 14 . 1 1 13 13 SER CA C 13 56.017 56.017 57.385 -1.368 18864 5632 1 14 . 1 1 13 13 SER CB C 13 66.920 66.920 65.637 1.283 18864 5633 1 14 . 1 1 13 13 SER H H 13 9.186 9.186 9.039 0.147 18864 5634 1 14 . 1 1 14 14 HIS N N 14 119.162 119.162 121.693 -2.531 18864 5635 1 14 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.137 0.273 18864 5636 1 14 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.165 0.429 18864 5637 1 14 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.178 3.445 18864 5638 1 14 . 1 1 14 14 HIS H H 14 9.902 9.902 9.428 0.474 18864 5639 1 14 . 1 1 15 15 ILE N N 15 121.809 121.809 121.687 0.122 18864 5640 1 14 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.185 -0.748 18864 5641 1 14 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.817 2.059 18864 5642 1 14 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.445 0.348 18864 5643 1 14 . 1 1 15 15 ILE H H 15 8.913 8.913 9.041 -0.128 18864 5644 1 14 . 1 1 16 16 LEU N N 16 129.008 129.008 128.410 0.598 18864 5645 1 14 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.280 -0.262 18864 5646 1 14 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.847 -1.184 18864 5647 1 14 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.515 1.501 18864 5648 1 14 . 1 1 16 16 LEU H H 16 7.632 7.632 8.420 -0.788 18864 5649 1 14 . 1 1 17 17 VAL N N 17 117.991 117.991 118.498 -0.507 18864 5650 1 14 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.640 0.319 18864 5651 1 14 . 1 1 17 17 VAL CA C 17 58.841 58.841 58.666 0.175 18864 5652 1 14 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.629 0.160 18864 5653 1 14 . 1 1 17 17 VAL H H 17 9.025 9.025 9.082 -0.057 18864 5654 1 14 . 1 1 18 18 LYS N N 18 119.296 119.296 121.400 -2.104 18864 5655 1 14 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.126 0.275 18864 5656 1 14 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.265 0.108 18864 5657 1 14 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.913 1.397 18864 5658 1 14 . 1 1 18 18 LYS H H 18 8.781 8.781 8.386 0.395 18864 5659 1 14 . 1 1 19 19 LYS N N 19 114.107 114.107 117.952 -3.845 18864 5660 1 14 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.570 0.265 18864 5661 1 14 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.688 0.037 18864 5662 1 14 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.742 1.062 18864 5663 1 14 . 1 1 19 19 LYS H H 19 8.023 8.023 7.890 0.133 18864 5664 1 14 . 1 1 20 20 GLN N N 20 125.662 125.662 123.707 1.955 18864 5665 1 14 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.408 1.446 18864 5666 1 14 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.277 0.158 18864 5667 1 14 . 1 1 20 20 GLN CB C 20 27.969 27.969 27.888 0.081 18864 5668 1 14 . 1 1 20 20 GLN H H 20 8.795 8.795 8.694 0.101 18864 5669 1 14 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.747 0.250 18864 5670 1 14 . 1 1 22 22 GLU N N 22 119.712 119.712 122.350 -2.638 18864 5671 1 14 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.001 0.114 18864 5672 1 14 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.446 -1.324 18864 5673 1 14 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.357 0.359 18864 5674 1 14 . 1 1 22 22 GLU H H 22 6.765 6.765 8.357 -1.592 18864 5675 1 14 . 1 1 23 23 ALA N N 23 124.106 124.106 123.336 0.770 18864 5676 1 14 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.944 -0.176 18864 5677 1 14 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.459 -0.554 18864 5678 1 14 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.332 -0.529 18864 5679 1 14 . 1 1 23 23 ALA H H 23 7.461 7.461 7.944 -0.483 18864 5680 1 14 . 1 1 24 24 LEU N N 24 118.772 118.772 119.710 -0.938 18864 5681 1 14 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.444 -0.265 18864 5682 1 14 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.370 0.467 18864 5683 1 14 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.555 0.649 18864 5684 1 14 . 1 1 24 24 LEU H H 24 7.989 7.989 8.403 -0.414 18864 5685 1 14 . 1 1 25 25 ALA N N 25 121.590 121.590 122.302 -0.712 18864 5686 1 14 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.989 0.207 18864 5687 1 14 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.464 -0.268 18864 5688 1 14 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.313 -0.416 18864 5689 1 14 . 1 1 25 25 ALA H H 25 7.472 7.472 8.320 -0.848 18864 5690 1 14 . 1 1 26 26 VAL N N 26 118.603 118.603 116.237 2.366 18864 5691 1 14 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.527 -0.257 18864 5692 1 14 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.186 1.121 18864 5693 1 14 . 1 1 26 26 VAL CB C 26 31.412 31.412 31.155 0.257 18864 5694 1 14 . 1 1 26 26 VAL H H 26 7.633 7.633 8.314 -0.681 18864 5695 1 14 . 1 1 27 27 GLN N N 27 117.799 117.799 120.292 -2.493 18864 5696 1 14 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.931 0.025 18864 5697 1 14 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.602 0.696 18864 5698 1 14 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.374 1.446 18864 5699 1 14 . 1 1 27 27 GLN H H 27 8.000 8.000 8.406 -0.406 18864 5700 1 14 . 1 1 28 28 GLU N N 28 118.775 118.775 119.273 -0.498 18864 5701 1 14 . 1 1 28 28 GLU HA H 28 4.017 4.017 3.985 0.032 18864 5702 1 14 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.109 0.466 18864 5703 1 14 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.365 0.245 18864 5704 1 14 . 1 1 28 28 GLU H H 28 8.107 8.107 8.390 -0.283 18864 5705 1 14 . 1 1 29 29 ARG N N 29 121.360 121.360 120.445 0.915 18864 5706 1 14 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.005 0.121 18864 5707 1 14 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.346 0.728 18864 5708 1 14 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.029 1.352 18864 5709 1 14 . 1 1 29 29 ARG H H 29 8.084 8.084 7.930 0.154 18864 5710 1 14 . 1 1 30 30 LEU N N 30 120.289 120.289 119.710 0.579 18864 5711 1 14 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.224 0.111 18864 5712 1 14 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.682 -0.010 18864 5713 1 14 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.125 0.615 18864 5714 1 14 . 1 1 30 30 LEU H H 30 8.379 8.379 8.523 -0.144 18864 5715 1 14 . 1 1 31 31 LYS N N 31 122.554 122.554 117.717 4.837 18864 5716 1 14 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.095 -0.042 18864 5717 1 14 . 1 1 31 31 LYS CA C 31 59.429 59.429 57.951 1.478 18864 5718 1 14 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.482 0.837 18864 5719 1 14 . 1 1 31 31 LYS H H 31 8.280 8.280 8.190 0.090 18864 5720 1 14 . 1 1 32 32 ALA N N 32 119.271 119.271 119.129 0.142 18864 5721 1 14 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.234 0.144 18864 5722 1 14 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.963 -0.387 18864 5723 1 14 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.463 -0.642 18864 5724 1 14 . 1 1 32 32 ALA H H 32 7.557 7.557 7.547 0.010 18864 5725 1 14 . 1 1 33 33 GLY N N 33 105.104 105.104 105.344 -0.240 18864 5726 1 14 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.554 0.191 18864 5727 1 14 . 1 1 33 33 GLY H H 33 7.758 7.758 8.082 -0.324 18864 5728 1 14 . 1 1 34 34 GLU N N 34 121.024 121.024 120.978 0.046 18864 5729 1 14 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.243 0.036 18864 5730 1 14 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.563 1.609 18864 5731 1 14 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.444 0.292 18864 5732 1 14 . 1 1 34 34 GLU H H 34 7.871 7.871 7.733 0.138 18864 5733 1 14 . 1 1 35 35 LYS N N 35 121.214 121.214 121.764 -0.550 18864 5734 1 14 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.244 0.021 18864 5735 1 14 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.738 -0.421 18864 5736 1 14 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.075 -0.013 18864 5737 1 14 . 1 1 35 35 LYS H H 35 8.776 8.776 8.488 0.288 18864 5738 1 14 . 1 1 36 36 PHE N N 36 125.726 125.726 127.038 -1.312 18864 5739 1 14 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.197 -0.554 18864 5740 1 14 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.947 0.884 18864 5741 1 14 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.046 1.249 18864 5742 1 14 . 1 1 36 36 PHE H H 36 8.972 8.972 8.949 0.023 18864 5743 1 14 . 1 1 37 37 GLY N N 37 103.959 103.959 106.451 -2.492 18864 5744 1 14 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.873 0.472 18864 5745 1 14 . 1 1 37 37 GLY H H 37 9.123 9.123 8.666 0.457 18864 5746 1 14 . 1 1 38 38 LYS N N 38 120.432 120.432 122.924 -2.492 18864 5747 1 14 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.012 0.046 18864 5748 1 14 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.379 -0.350 18864 5749 1 14 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.391 0.264 18864 5750 1 14 . 1 1 38 38 LYS H H 38 6.683 6.683 8.045 -1.362 18864 5751 1 14 . 1 1 39 39 LEU N N 39 119.598 119.598 119.296 0.302 18864 5752 1 14 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.965 -0.058 18864 5753 1 14 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.669 -0.055 18864 5754 1 14 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.554 1.190 18864 5755 1 14 . 1 1 39 39 LEU H H 39 7.754 7.754 7.909 -0.155 18864 5756 1 14 . 1 1 40 40 ALA N N 40 121.385 121.385 123.127 -1.742 18864 5757 1 14 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.999 -0.227 18864 5758 1 14 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.970 0.905 18864 5759 1 14 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.443 -1.258 18864 5760 1 14 . 1 1 40 40 ALA H H 40 8.437 8.437 8.339 0.098 18864 5761 1 14 . 1 1 41 41 LYS N N 41 116.991 116.991 118.850 -1.859 18864 5762 1 14 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.067 -0.145 18864 5763 1 14 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.586 1.173 18864 5764 1 14 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.135 0.476 18864 5765 1 14 . 1 1 41 41 LYS H H 41 7.681 7.681 8.465 -0.784 18864 5766 1 14 . 1 1 42 42 GLU N N 42 117.121 117.121 118.015 -0.894 18864 5767 1 14 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.099 -0.071 18864 5768 1 14 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.812 0.248 18864 5769 1 14 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.401 1.093 18864 5770 1 14 . 1 1 42 42 GLU H H 42 7.796 7.796 8.105 -0.309 18864 5771 1 14 . 1 1 43 43 LEU N N 43 112.754 112.754 116.873 -4.119 18864 5772 1 14 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.602 -0.063 18864 5773 1 14 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.085 0.092 18864 5774 1 14 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.575 1.487 18864 5775 1 14 . 1 1 43 43 LEU H H 43 8.305 8.305 8.040 0.265 18864 5776 1 14 . 1 1 44 44 SER N N 44 110.514 110.514 116.241 -5.727 18864 5777 1 14 . 1 1 44 44 SER HA H 44 4.707 4.707 4.310 0.397 18864 5778 1 14 . 1 1 44 44 SER CA C 44 57.490 57.490 60.077 -2.587 18864 5779 1 14 . 1 1 44 44 SER CB C 44 65.461 65.461 63.647 1.814 18864 5780 1 14 . 1 1 44 44 SER H H 44 8.255 8.255 7.438 0.817 18864 5781 1 14 . 1 1 45 45 ILE N N 45 120.438 120.438 116.812 3.626 18864 5782 1 14 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.133 0.286 18864 5783 1 14 . 1 1 45 45 ILE CA C 45 61.859 61.859 61.383 0.477 18864 5784 1 14 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.236 -1.107 18864 5785 1 14 . 1 1 45 45 ILE H H 45 9.238 9.238 8.624 0.614 18864 5786 1 14 . 1 1 46 46 ASP N N 46 120.068 120.068 121.982 -1.914 18864 5787 1 14 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.696 -0.318 18864 5788 1 14 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.887 -0.135 18864 5789 1 14 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.852 -0.436 18864 5790 1 14 . 1 1 46 46 ASP H H 46 7.488 7.488 7.595 -0.107 18864 5791 1 14 . 1 1 47 47 GLY N N 47 114.910 114.910 113.172 1.738 18864 5792 1 14 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.811 0.507 18864 5793 1 14 . 1 1 47 47 GLY H H 47 8.562 8.562 8.086 0.476 18864 5794 1 14 . 1 1 48 48 GLY N N 48 106.725 106.725 109.841 -3.116 18864 5795 1 14 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.904 -0.278 18864 5796 1 14 . 1 1 48 48 GLY H H 48 8.328 8.328 8.125 0.203 18864 5797 1 14 . 1 1 49 49 SER N N 49 110.646 110.646 118.175 -7.529 18864 5798 1 14 . 1 1 49 49 SER HA H 49 4.560 4.560 4.192 0.368 18864 5799 1 14 . 1 1 49 49 SER CA C 49 59.559 59.559 61.551 -1.992 18864 5800 1 14 . 1 1 49 49 SER CB C 49 65.469 65.469 63.183 2.286 18864 5801 1 14 . 1 1 49 49 SER H H 49 7.255 7.255 8.331 -1.076 18864 5802 1 14 . 1 1 50 50 ALA N N 50 130.821 130.821 124.986 5.835 18864 5803 1 14 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.056 -0.230 18864 5804 1 14 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.694 2.176 18864 5805 1 14 . 1 1 50 50 ALA CB C 50 19.385 19.385 17.986 1.399 18864 5806 1 14 . 1 1 50 50 ALA H H 50 8.571 8.571 7.814 0.757 18864 5807 1 14 . 1 1 51 51 LYS N N 51 110.700 110.700 117.952 -7.252 18864 5808 1 14 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.057 0.180 18864 5809 1 14 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.509 -0.922 18864 5810 1 14 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.291 -0.173 18864 5811 1 14 . 1 1 51 51 LYS H H 51 7.761 7.761 7.950 -0.189 18864 5812 1 14 . 1 1 52 52 ARG N N 52 120.280 120.280 118.028 2.252 18864 5813 1 14 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.492 0.295 18864 5814 1 14 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.246 -1.044 18864 5815 1 14 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.204 -0.700 18864 5816 1 14 . 1 1 52 52 ARG H H 52 7.650 7.650 7.560 0.090 18864 5817 1 14 . 1 1 53 53 ASP N N 53 117.809 117.809 118.215 -0.406 18864 5818 1 14 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.336 0.065 18864 5819 1 14 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.895 0.452 18864 5820 1 14 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.424 -0.802 18864 5821 1 14 . 1 1 53 53 ASP H H 53 8.157 8.157 8.520 -0.363 18864 5822 1 14 . 1 1 54 54 GLY N N 54 104.041 104.041 104.165 -0.124 18864 5823 1 14 . 1 1 54 54 GLY CA C 54 45.628 45.628 45.926 -0.298 18864 5824 1 14 . 1 1 54 54 GLY H H 54 8.279 8.279 9.027 -0.748 18864 5825 1 14 . 1 1 55 55 SER N N 55 113.436 113.436 119.434 -5.998 18864 5826 1 14 . 1 1 55 55 SER HA H 55 4.578 4.578 4.345 0.233 18864 5827 1 14 . 1 1 55 55 SER CA C 55 59.851 59.851 58.662 1.189 18864 5828 1 14 . 1 1 55 55 SER CB C 55 64.102 64.102 62.105 1.997 18864 5829 1 14 . 1 1 55 55 SER H H 55 7.524 7.524 8.168 -0.644 18864 5830 1 14 . 1 1 56 56 LEU N N 56 126.328 126.328 124.656 1.672 18864 5831 1 14 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.953 0.538 18864 5832 1 14 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.954 -2.816 18864 5833 1 14 . 1 1 56 56 LEU CB C 56 43.260 43.260 41.939 1.321 18864 5834 1 14 . 1 1 56 56 LEU H H 56 8.818 8.818 8.306 0.512 18864 5835 1 14 . 1 1 57 57 GLY N N 57 107.077 107.077 103.692 3.385 18864 5836 1 14 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.197 0.998 18864 5837 1 14 . 1 1 57 57 GLY H H 57 8.072 8.072 7.995 0.077 18864 5838 1 14 . 1 1 58 58 TYR N N 58 115.734 115.734 119.783 -4.049 18864 5839 1 14 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.016 0.175 18864 5840 1 14 . 1 1 58 58 TYR CA C 58 57.850 57.850 56.271 1.579 18864 5841 1 14 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.388 2.286 18864 5842 1 14 . 1 1 58 58 TYR H H 58 8.348 8.348 7.303 1.045 18864 5843 1 14 . 1 1 59 59 PHE N N 59 118.174 118.174 118.615 -0.441 18864 5844 1 14 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.947 0.090 18864 5845 1 14 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.293 0.022 18864 5846 1 14 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.726 -0.136 18864 5847 1 14 . 1 1 59 59 PHE H H 59 9.136 9.136 8.168 0.968 18864 5848 1 14 . 1 1 60 60 GLY N N 60 106.839 106.839 107.604 -0.765 18864 5849 1 14 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.162 -0.001 18864 5850 1 14 . 1 1 60 60 GLY H H 60 8.594 8.594 8.653 -0.059 18864 5851 1 14 . 1 1 61 61 ARG N N 61 119.161 119.161 120.277 -1.116 18864 5852 1 14 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.199 -0.196 18864 5853 1 14 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.711 -0.292 18864 5854 1 14 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.404 -0.106 18864 5855 1 14 . 1 1 61 61 ARG H H 61 8.833 8.833 8.736 0.097 18864 5856 1 14 . 1 1 62 62 GLY N N 62 112.714 112.714 114.139 -1.425 18864 5857 1 14 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.627 -0.126 18864 5858 1 14 . 1 1 62 62 GLY H H 62 10.418 10.418 9.975 0.443 18864 5859 1 14 . 1 1 63 63 LYS N N 63 120.687 120.687 120.725 -0.038 18864 5860 1 14 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.185 0.201 18864 5861 1 14 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.655 -0.535 18864 5862 1 14 . 1 1 63 63 LYS CB C 63 34.862 34.862 33.372 1.490 18864 5863 1 14 . 1 1 63 63 LYS H H 63 7.706 7.706 8.049 -0.343 18864 5864 1 14 . 1 1 64 64 MET N N 64 117.704 117.704 117.603 0.101 18864 5865 1 14 . 1 1 64 64 MET HA H 64 4.608 4.608 4.493 0.115 18864 5866 1 14 . 1 1 64 64 MET CA C 64 51.959 51.959 53.829 -1.870 18864 5867 1 14 . 1 1 64 64 MET CB C 64 33.012 33.012 36.039 -3.027 18864 5868 1 14 . 1 1 64 64 MET H H 64 9.046 9.046 8.921 0.125 18864 5869 1 14 . 1 1 65 65 VAL N N 65 113.540 113.540 119.814 -6.274 18864 5870 1 14 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.997 0.216 18864 5871 1 14 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.856 -0.516 18864 5872 1 14 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.511 0.289 18864 5873 1 14 . 1 1 65 65 VAL H H 65 8.043 8.043 8.270 -0.227 18864 5874 1 14 . 1 1 66 66 LYS N N 66 124.592 124.592 126.940 -2.348 18864 5875 1 14 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.170 0.033 18864 5876 1 14 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.745 -0.323 18864 5877 1 14 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.258 0.176 18864 5878 1 14 . 1 1 66 66 LYS H H 66 8.877 8.877 8.990 -0.113 18864 5879 1 14 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.236 0.215 18864 5880 1 14 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.302 -0.253 18864 5881 1 14 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.310 -0.059 18864 5882 1 14 . 1 1 68 68 PHE N N 68 115.149 115.149 118.815 -3.666 18864 5883 1 14 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.972 -0.285 18864 5884 1 14 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.633 -0.877 18864 5885 1 14 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.893 1.289 18864 5886 1 14 . 1 1 68 68 PHE H H 68 6.997 6.997 7.757 -0.760 18864 5887 1 14 . 1 1 69 69 GLU N N 69 119.933 119.933 118.978 0.955 18864 5888 1 14 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.072 -0.076 18864 5889 1 14 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.103 0.861 18864 5890 1 14 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.732 1.193 18864 5891 1 14 . 1 1 69 69 GLU H H 69 8.562 8.562 8.393 0.169 18864 5892 1 14 . 1 1 70 70 ASP N N 70 116.956 116.956 120.312 -3.356 18864 5893 1 14 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.552 -0.167 18864 5894 1 14 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.339 -0.166 18864 5895 1 14 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.789 -0.601 18864 5896 1 14 . 1 1 70 70 ASP H H 70 9.074 9.074 8.657 0.417 18864 5897 1 14 . 1 1 71 71 ALA N N 71 117.745 117.745 121.049 -3.304 18864 5898 1 14 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.111 0.061 18864 5899 1 14 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.744 -0.429 18864 5900 1 14 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.274 2.228 18864 5901 1 14 . 1 1 71 71 ALA H H 71 6.888 6.888 7.946 -1.058 18864 5902 1 14 . 1 1 72 72 ALA N N 72 120.783 120.783 121.533 -0.750 18864 5903 1 14 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.863 -0.117 18864 5904 1 14 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.520 0.873 18864 5905 1 14 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.608 0.476 18864 5906 1 14 . 1 1 72 72 ALA H H 72 8.860 8.860 7.888 0.972 18864 5907 1 14 . 1 1 73 73 PHE N N 73 110.353 110.353 117.355 -7.002 18864 5908 1 14 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.173 -0.152 18864 5909 1 14 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.837 -0.271 18864 5910 1 14 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.511 -0.184 18864 5911 1 14 . 1 1 73 73 PHE H H 73 8.275 8.275 8.363 -0.088 18864 5912 1 14 . 1 1 74 74 ARG N N 74 116.189 116.189 117.832 -1.643 18864 5913 1 14 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.073 0.401 18864 5914 1 14 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.103 -2.736 18864 5915 1 14 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.004 1.696 18864 5916 1 14 . 1 1 74 74 ARG H H 74 7.047 7.047 7.843 -0.796 18864 5917 1 14 . 1 1 75 75 LEU N N 75 119.425 119.425 118.049 1.376 18864 5918 1 14 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.426 -0.147 18864 5919 1 14 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.514 0.487 18864 5920 1 14 . 1 1 75 75 LEU CB C 75 43.145 43.145 41.035 2.111 18864 5921 1 14 . 1 1 75 75 LEU H H 75 7.033 7.033 7.600 -0.567 18864 5922 1 14 . 1 1 76 76 GLN N N 76 121.205 121.205 120.104 1.101 18864 5923 1 14 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.812 0.595 18864 5924 1 14 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.222 -4.763 18864 5925 1 14 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.380 1.240 18864 5926 1 14 . 1 1 76 76 GLN H H 76 9.087 9.087 7.764 1.323 18864 5927 1 14 . 1 1 77 77 VAL N N 77 121.809 121.809 118.124 3.685 18864 5928 1 14 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.806 0.597 18864 5929 1 14 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.780 2.803 18864 5930 1 14 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.018 -3.402 18864 5931 1 14 . 1 1 77 77 VAL H H 77 8.901 8.901 7.722 1.179 18864 5932 1 14 . 1 1 78 78 GLY N N 78 117.559 117.559 107.751 9.808 18864 5933 1 14 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.409 0.724 18864 5934 1 14 . 1 1 78 78 GLY H H 78 9.049 9.049 8.069 0.980 18864 5935 1 14 . 1 1 79 79 GLU N N 79 122.304 122.304 118.855 3.449 18864 5936 1 14 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.805 -0.538 18864 5937 1 14 . 1 1 79 79 GLU CA C 79 56.547 56.547 54.275 2.272 18864 5938 1 14 . 1 1 79 79 GLU CB C 79 32.290 32.290 34.021 -1.731 18864 5939 1 14 . 1 1 79 79 GLU H H 79 8.093 8.093 7.558 0.535 18864 5940 1 14 . 1 1 80 80 VAL N N 80 122.253 122.253 121.170 1.083 18864 5941 1 14 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.444 0.602 18864 5942 1 14 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.863 -1.541 18864 5943 1 14 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.908 0.649 18864 5944 1 14 . 1 1 80 80 VAL H H 80 8.133 8.133 8.474 -0.341 18864 5945 1 14 . 1 1 81 81 SER N N 81 125.484 125.484 123.995 1.489 18864 5946 1 14 . 1 1 81 81 SER HA H 81 4.346 4.346 4.503 -0.157 18864 5947 1 14 . 1 1 81 81 SER CA C 81 59.316 59.316 57.756 1.560 18864 5948 1 14 . 1 1 81 81 SER CB C 81 65.988 65.988 63.895 2.093 18864 5949 1 14 . 1 1 81 81 SER H H 81 9.927 9.927 8.872 1.055 18864 5950 1 14 . 1 1 82 82 GLU N N 82 116.381 116.381 120.017 -3.636 18864 5951 1 14 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.461 0.162 18864 5952 1 14 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.607 1.044 18864 5953 1 14 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.417 -0.087 18864 5954 1 14 . 1 1 82 82 GLU H H 82 7.986 7.986 8.551 -0.565 18864 5955 1 14 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.665 0.068 18864 5956 1 14 . 1 1 83 83 PRO CA C 83 63.682 63.682 62.919 0.763 18864 5957 1 14 . 1 1 83 83 PRO CB C 83 31.442 31.442 32.210 -0.768 18864 5958 1 14 . 1 1 84 84 VAL N N 84 127.594 127.594 125.035 2.559 18864 5959 1 14 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.359 0.002 18864 5960 1 14 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.959 0.292 18864 5961 1 14 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.946 0.664 18864 5962 1 14 . 1 1 84 84 VAL H H 84 9.630 9.630 9.174 0.456 18864 5963 1 14 . 1 1 85 85 LYS N N 85 130.184 130.184 129.167 1.017 18864 5964 1 14 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.819 -0.539 18864 5965 1 14 . 1 1 85 85 LYS CA C 85 56.161 56.161 54.424 1.737 18864 5966 1 14 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.922 -0.238 18864 5967 1 14 . 1 1 85 85 LYS H H 85 8.827 8.827 8.616 0.211 18864 5968 1 14 . 1 1 86 86 SER N N 86 125.071 125.071 121.526 3.545 18864 5969 1 14 . 1 1 86 86 SER HA H 86 4.925 4.925 4.957 -0.032 18864 5970 1 14 . 1 1 86 86 SER CA C 86 56.939 56.939 56.721 0.218 18864 5971 1 14 . 1 1 86 86 SER CB C 86 67.836 67.836 66.663 1.173 18864 5972 1 14 . 1 1 86 86 SER H H 86 9.594 9.594 8.873 0.721 18864 5973 1 14 . 1 1 87 87 GLU N N 87 118.510 118.510 119.010 -0.500 18864 5974 1 14 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.037 0.083 18864 5975 1 14 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.262 -0.177 18864 5976 1 14 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.218 0.162 18864 5977 1 14 . 1 1 87 87 GLU H H 87 9.615 9.615 8.900 0.715 18864 5978 1 14 . 1 1 88 88 PHE N N 88 118.385 118.385 119.302 -0.917 18864 5979 1 14 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.242 0.297 18864 5980 1 14 . 1 1 88 88 PHE CA C 88 58.501 58.501 60.068 -1.567 18864 5981 1 14 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.737 0.422 18864 5982 1 14 . 1 1 88 88 PHE H H 88 8.817 8.817 7.865 0.952 18864 5983 1 14 . 1 1 89 89 GLY N N 89 107.269 107.269 103.557 3.712 18864 5984 1 14 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.732 0.356 18864 5985 1 14 . 1 1 89 89 GLY H H 89 7.405 7.405 7.444 -0.039 18864 5986 1 14 . 1 1 90 90 TYR N N 90 119.181 119.181 122.240 -3.059 18864 5987 1 14 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.806 -0.726 18864 5988 1 14 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.368 -0.032 18864 5989 1 14 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.835 0.994 18864 5990 1 14 . 1 1 90 90 TYR H H 90 9.119 9.119 7.857 1.262 18864 5991 1 14 . 1 1 91 91 HIS N N 91 120.399 120.399 122.367 -1.968 18864 5992 1 14 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.536 0.021 18864 5993 1 14 . 1 1 91 91 HIS CA C 91 54.446 54.446 53.945 0.501 18864 5994 1 14 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.152 -1.855 18864 5995 1 14 . 1 1 91 91 HIS H H 91 9.879 9.879 9.845 0.034 18864 5996 1 14 . 1 1 92 92 VAL N N 92 122.606 122.606 121.745 0.861 18864 5997 1 14 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.419 -0.432 18864 5998 1 14 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.632 2.296 18864 5999 1 14 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.626 -0.404 18864 6000 1 14 . 1 1 92 92 VAL H H 92 9.102 9.102 9.074 0.028 18864 6001 1 14 . 1 1 93 93 ILE N N 93 128.087 128.087 128.008 0.079 18864 6002 1 14 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.057 -0.278 18864 6003 1 14 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.999 0.937 18864 6004 1 14 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.508 1.264 18864 6005 1 14 . 1 1 93 93 ILE H H 93 8.623 8.623 9.309 -0.686 18864 6006 1 14 . 1 1 94 94 LYS N N 94 125.877 125.877 127.337 -1.460 18864 6007 1 14 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.154 0.157 18864 6008 1 14 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.378 0.855 18864 6009 1 14 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.537 -0.049 18864 6010 1 14 . 1 1 94 94 LYS H H 94 8.881 8.881 8.925 -0.044 18864 6011 1 14 . 1 1 95 95 ARG N N 95 126.274 126.274 124.163 2.111 18864 6012 1 14 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.200 0.823 18864 6013 1 14 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.138 -0.124 18864 6014 1 14 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.011 -1.254 18864 6015 1 14 . 1 1 95 95 ARG H H 95 7.955 7.955 7.903 0.052 18864 6016 1 14 . 1 1 96 96 LEU N N 96 129.551 129.551 127.101 2.450 18864 6017 1 14 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.498 0.089 18864 6018 1 14 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.749 0.772 18864 6019 1 14 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.847 -0.463 18864 6020 1 14 . 1 1 96 96 LEU H H 96 9.017 9.017 8.663 0.354 18864 6021 1 15 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.485 -0.015 18864 6022 1 15 . 1 1 2 2 PRO CA C 2 63.246 63.246 63.041 0.205 18864 6023 1 15 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.627 -0.239 18864 6024 1 15 . 1 1 3 3 MET HA H 3 4.476 4.476 4.596 -0.120 18864 6025 1 15 . 1 1 3 3 MET CA C 3 56.002 56.002 55.332 0.670 18864 6026 1 15 . 1 1 3 3 MET CB C 3 32.025 32.025 34.990 -2.965 18864 6027 1 15 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.166 0.267 18864 6028 1 15 . 1 1 5 5 SER HA H 5 4.427 4.427 4.347 0.080 18864 6029 1 15 . 1 1 5 5 SER CA C 5 58.631 58.631 58.159 0.472 18864 6030 1 15 . 1 1 5 5 SER CB C 5 64.117 64.117 64.427 -0.310 18864 6031 1 15 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.203 0.222 18864 6032 1 15 . 1 1 7 7 ALA CA C 7 52.645 52.645 53.786 -1.141 18864 6033 1 15 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.580 1.036 18864 6034 1 15 . 1 1 8 8 ASP N N 8 119.103 119.103 116.870 2.233 18864 6035 1 15 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.599 0.022 18864 6036 1 15 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.807 -0.637 18864 6037 1 15 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.119 0.256 18864 6038 1 15 . 1 1 8 8 ASP H H 8 8.353 8.353 8.387 -0.034 18864 6039 1 15 . 1 1 9 9 LYS N N 9 117.781 117.781 118.263 -0.482 18864 6040 1 15 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.429 0.537 18864 6041 1 15 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.892 0.475 18864 6042 1 15 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.274 2.806 18864 6043 1 15 . 1 1 9 9 LYS H H 9 7.858 7.858 7.441 0.417 18864 6044 1 15 . 1 1 10 10 ILE N N 10 114.675 114.675 121.069 -6.394 18864 6045 1 15 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.917 0.597 18864 6046 1 15 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.608 1.952 18864 6047 1 15 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.490 4.905 18864 6048 1 15 . 1 1 10 10 ILE H H 10 8.254 8.254 8.483 -0.229 18864 6049 1 15 . 1 1 11 11 LYS N N 11 121.626 121.626 127.832 -6.206 18864 6050 1 15 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.329 0.462 18864 6051 1 15 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.041 -2.130 18864 6052 1 15 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.837 1.766 18864 6053 1 15 . 1 1 11 11 LYS H H 11 7.974 7.974 8.536 -0.562 18864 6054 1 15 . 1 1 12 12 CYS N N 12 118.054 118.054 123.845 -5.791 18864 6055 1 15 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.394 0.244 18864 6056 1 15 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.346 0.312 18864 6057 1 15 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.359 2.266 18864 6058 1 15 . 1 1 12 12 CYS H H 12 7.256 7.256 9.228 -1.972 18864 6059 1 15 . 1 1 13 13 SER N N 13 117.042 117.042 116.669 0.373 18864 6060 1 15 . 1 1 13 13 SER HA H 13 5.625 5.625 5.560 0.065 18864 6061 1 15 . 1 1 13 13 SER CA C 13 56.017 56.017 57.460 -1.443 18864 6062 1 15 . 1 1 13 13 SER CB C 13 66.920 66.920 65.658 1.262 18864 6063 1 15 . 1 1 13 13 SER H H 13 9.186 9.186 9.028 0.158 18864 6064 1 15 . 1 1 14 14 HIS N N 14 119.162 119.162 120.708 -1.546 18864 6065 1 15 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.245 0.165 18864 6066 1 15 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.028 0.566 18864 6067 1 15 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.194 3.429 18864 6068 1 15 . 1 1 14 14 HIS H H 14 9.902 9.902 9.703 0.199 18864 6069 1 15 . 1 1 15 15 ILE N N 15 121.809 121.809 120.449 1.360 18864 6070 1 15 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.098 -0.661 18864 6071 1 15 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.906 1.970 18864 6072 1 15 . 1 1 15 15 ILE CB C 15 41.793 41.793 40.918 0.875 18864 6073 1 15 . 1 1 15 15 ILE H H 15 8.913 8.913 9.134 -0.221 18864 6074 1 15 . 1 1 16 16 LEU N N 16 129.008 129.008 129.663 -0.655 18864 6075 1 15 . 1 1 16 16 LEU HA H 16 5.018 5.018 4.953 0.065 18864 6076 1 15 . 1 1 16 16 LEU CA C 16 52.663 52.663 52.667 -0.004 18864 6077 1 15 . 1 1 16 16 LEU CB C 16 45.016 45.016 42.603 2.413 18864 6078 1 15 . 1 1 16 16 LEU H H 16 7.632 7.632 9.047 -1.415 18864 6079 1 15 . 1 1 17 17 VAL N N 17 117.991 117.991 120.686 -2.695 18864 6080 1 15 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.578 0.381 18864 6081 1 15 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.891 -1.050 18864 6082 1 15 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.738 0.051 18864 6083 1 15 . 1 1 17 17 VAL H H 17 9.025 9.025 9.204 -0.179 18864 6084 1 15 . 1 1 18 18 LYS N N 18 119.296 119.296 121.860 -2.564 18864 6085 1 15 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.227 0.174 18864 6086 1 15 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.068 0.305 18864 6087 1 15 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.926 1.384 18864 6088 1 15 . 1 1 18 18 LYS H H 18 8.781 8.781 8.393 0.388 18864 6089 1 15 . 1 1 19 19 LYS N N 19 114.107 114.107 118.472 -4.365 18864 6090 1 15 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.382 0.453 18864 6091 1 15 . 1 1 19 19 LYS CA C 19 54.725 54.725 53.656 1.069 18864 6092 1 15 . 1 1 19 19 LYS CB C 19 35.804 35.804 33.744 2.060 18864 6093 1 15 . 1 1 19 19 LYS H H 19 8.023 8.023 8.382 -0.359 18864 6094 1 15 . 1 1 20 20 GLN N N 20 125.662 125.662 122.606 3.056 18864 6095 1 15 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.491 1.363 18864 6096 1 15 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.201 0.234 18864 6097 1 15 . 1 1 20 20 GLN CB C 20 27.969 27.969 27.716 0.253 18864 6098 1 15 . 1 1 20 20 GLN H H 20 8.795 8.795 8.379 0.416 18864 6099 1 15 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.691 0.306 18864 6100 1 15 . 1 1 22 22 GLU N N 22 119.712 119.712 122.479 -2.767 18864 6101 1 15 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.995 0.120 18864 6102 1 15 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.547 -1.425 18864 6103 1 15 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.362 0.354 18864 6104 1 15 . 1 1 22 22 GLU H H 22 6.765 6.765 8.291 -1.526 18864 6105 1 15 . 1 1 23 23 ALA N N 23 124.106 124.106 122.861 1.245 18864 6106 1 15 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.972 -0.204 18864 6107 1 15 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.336 -0.431 18864 6108 1 15 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.556 -0.753 18864 6109 1 15 . 1 1 23 23 ALA H H 23 7.461 7.461 7.965 -0.504 18864 6110 1 15 . 1 1 24 24 LEU N N 24 118.772 118.772 119.139 -0.367 18864 6111 1 15 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.870 0.309 18864 6112 1 15 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.912 -0.075 18864 6113 1 15 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.618 -0.414 18864 6114 1 15 . 1 1 24 24 LEU H H 24 7.989 7.989 8.482 -0.493 18864 6115 1 15 . 1 1 25 25 ALA N N 25 121.590 121.590 122.309 -0.719 18864 6116 1 15 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.964 0.232 18864 6117 1 15 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.282 -0.086 18864 6118 1 15 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.285 -0.388 18864 6119 1 15 . 1 1 25 25 ALA H H 25 7.472 7.472 8.425 -0.953 18864 6120 1 15 . 1 1 26 26 VAL N N 26 118.603 118.603 115.636 2.967 18864 6121 1 15 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.554 -0.284 18864 6122 1 15 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.828 1.479 18864 6123 1 15 . 1 1 26 26 VAL CB C 26 31.412 31.412 31.009 0.403 18864 6124 1 15 . 1 1 26 26 VAL H H 26 7.633 7.633 8.238 -0.605 18864 6125 1 15 . 1 1 27 27 GLN N N 27 117.799 117.799 121.056 -3.257 18864 6126 1 15 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.930 0.026 18864 6127 1 15 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.663 0.636 18864 6128 1 15 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.796 1.024 18864 6129 1 15 . 1 1 27 27 GLN H H 27 8.000 8.000 8.249 -0.249 18864 6130 1 15 . 1 1 28 28 GLU N N 28 118.775 118.775 119.121 -0.346 18864 6131 1 15 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.004 0.013 18864 6132 1 15 . 1 1 28 28 GLU CA C 28 59.575 59.575 59.004 0.571 18864 6133 1 15 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.578 0.032 18864 6134 1 15 . 1 1 28 28 GLU H H 28 8.107 8.107 8.581 -0.474 18864 6135 1 15 . 1 1 29 29 ARG N N 29 121.360 121.360 120.281 1.079 18864 6136 1 15 . 1 1 29 29 ARG HA H 29 4.126 4.126 3.998 0.128 18864 6137 1 15 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.236 0.838 18864 6138 1 15 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.180 1.201 18864 6139 1 15 . 1 1 29 29 ARG H H 29 8.084 8.084 8.223 -0.139 18864 6140 1 15 . 1 1 30 30 LEU N N 30 120.289 120.289 119.997 0.292 18864 6141 1 15 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.212 0.123 18864 6142 1 15 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.829 -0.157 18864 6143 1 15 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.219 0.521 18864 6144 1 15 . 1 1 30 30 LEU H H 30 8.379 8.379 8.641 -0.262 18864 6145 1 15 . 1 1 31 31 LYS N N 31 122.554 122.554 119.207 3.347 18864 6146 1 15 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.066 -0.013 18864 6147 1 15 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.817 0.612 18864 6148 1 15 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.869 0.450 18864 6149 1 15 . 1 1 31 31 LYS H H 31 8.280 8.280 7.741 0.539 18864 6150 1 15 . 1 1 32 32 ALA N N 32 119.271 119.271 120.309 -1.038 18864 6151 1 15 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.274 0.104 18864 6152 1 15 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.211 0.365 18864 6153 1 15 . 1 1 32 32 ALA CB C 32 18.821 18.821 18.751 0.070 18864 6154 1 15 . 1 1 32 32 ALA H H 32 7.557 7.557 7.738 -0.181 18864 6155 1 15 . 1 1 33 33 GLY N N 33 105.104 105.104 106.269 -1.165 18864 6156 1 15 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.848 -0.103 18864 6157 1 15 . 1 1 33 33 GLY H H 33 7.758 7.758 7.937 -0.179 18864 6158 1 15 . 1 1 34 34 GLU N N 34 121.024 121.024 120.599 0.425 18864 6159 1 15 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.412 -0.133 18864 6160 1 15 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.537 2.635 18864 6161 1 15 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.913 -0.177 18864 6162 1 15 . 1 1 34 34 GLU H H 34 7.871 7.871 7.622 0.249 18864 6163 1 15 . 1 1 35 35 LYS N N 35 121.214 121.214 122.970 -1.756 18864 6164 1 15 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.282 -0.017 18864 6165 1 15 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.885 -0.568 18864 6166 1 15 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.073 -0.011 18864 6167 1 15 . 1 1 35 35 LYS H H 35 8.776 8.776 8.763 0.013 18864 6168 1 15 . 1 1 36 36 PHE N N 36 125.726 125.726 124.913 0.813 18864 6169 1 15 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.225 -0.582 18864 6170 1 15 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.280 0.550 18864 6171 1 15 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.055 1.240 18864 6172 1 15 . 1 1 36 36 PHE H H 36 8.972 8.972 8.891 0.081 18864 6173 1 15 . 1 1 37 37 GLY N N 37 103.959 103.959 106.421 -2.462 18864 6174 1 15 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.894 0.451 18864 6175 1 15 . 1 1 37 37 GLY H H 37 9.123 9.123 8.649 0.474 18864 6176 1 15 . 1 1 38 38 LYS N N 38 120.432 120.432 122.838 -2.406 18864 6177 1 15 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.032 0.026 18864 6178 1 15 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.363 -0.334 18864 6179 1 15 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.380 0.275 18864 6180 1 15 . 1 1 38 38 LYS H H 38 6.683 6.683 8.053 -1.370 18864 6181 1 15 . 1 1 39 39 LEU N N 39 119.598 119.598 119.180 0.418 18864 6182 1 15 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.069 -0.162 18864 6183 1 15 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.611 0.003 18864 6184 1 15 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.466 1.278 18864 6185 1 15 . 1 1 39 39 LEU H H 39 7.754 7.754 8.311 -0.557 18864 6186 1 15 . 1 1 40 40 ALA N N 40 121.385 121.385 122.466 -1.081 18864 6187 1 15 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.889 -0.117 18864 6188 1 15 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.965 0.910 18864 6189 1 15 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.284 -1.099 18864 6190 1 15 . 1 1 40 40 ALA H H 40 8.437 8.437 8.271 0.166 18864 6191 1 15 . 1 1 41 41 LYS N N 41 116.991 116.991 117.311 -0.320 18864 6192 1 15 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.128 -0.206 18864 6193 1 15 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.226 1.533 18864 6194 1 15 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.405 0.206 18864 6195 1 15 . 1 1 41 41 LYS H H 41 7.681 7.681 8.147 -0.466 18864 6196 1 15 . 1 1 42 42 GLU N N 42 117.121 117.121 117.617 -0.496 18864 6197 1 15 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.142 -0.114 18864 6198 1 15 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.325 0.735 18864 6199 1 15 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.268 1.227 18864 6200 1 15 . 1 1 42 42 GLU H H 42 7.796 7.796 8.028 -0.232 18864 6201 1 15 . 1 1 43 43 LEU N N 43 112.754 112.754 118.221 -5.467 18864 6202 1 15 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.393 0.146 18864 6203 1 15 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.247 -0.070 18864 6204 1 15 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.768 1.294 18864 6205 1 15 . 1 1 43 43 LEU H H 43 8.305 8.305 8.193 0.112 18864 6206 1 15 . 1 1 44 44 SER N N 44 110.514 110.514 114.686 -4.172 18864 6207 1 15 . 1 1 44 44 SER HA H 44 4.707 4.707 4.217 0.490 18864 6208 1 15 . 1 1 44 44 SER CA C 44 57.490 57.490 59.704 -2.214 18864 6209 1 15 . 1 1 44 44 SER CB C 44 65.461 65.461 63.626 1.835 18864 6210 1 15 . 1 1 44 44 SER H H 44 8.255 8.255 7.623 0.632 18864 6211 1 15 . 1 1 45 45 ILE N N 45 120.438 120.438 118.627 1.811 18864 6212 1 15 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.288 0.131 18864 6213 1 15 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.322 1.537 18864 6214 1 15 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.129 -1.000 18864 6215 1 15 . 1 1 45 45 ILE H H 45 9.238 9.238 8.690 0.548 18864 6216 1 15 . 1 1 46 46 ASP N N 46 120.068 120.068 123.039 -2.971 18864 6217 1 15 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.637 -0.259 18864 6218 1 15 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.130 -0.378 18864 6219 1 15 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.503 -0.087 18864 6220 1 15 . 1 1 46 46 ASP H H 46 7.488 7.488 7.402 0.086 18864 6221 1 15 . 1 1 47 47 GLY N N 47 114.910 114.910 114.077 0.833 18864 6222 1 15 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.163 0.155 18864 6223 1 15 . 1 1 47 47 GLY H H 47 8.562 8.562 8.080 0.482 18864 6224 1 15 . 1 1 48 48 GLY N N 48 106.725 106.725 110.316 -3.591 18864 6225 1 15 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.223 -0.597 18864 6226 1 15 . 1 1 48 48 GLY H H 48 8.328 8.328 8.276 0.052 18864 6227 1 15 . 1 1 49 49 SER N N 49 110.646 110.646 118.276 -7.630 18864 6228 1 15 . 1 1 49 49 SER HA H 49 4.560 4.560 4.235 0.325 18864 6229 1 15 . 1 1 49 49 SER CA C 49 59.559 59.559 61.477 -1.918 18864 6230 1 15 . 1 1 49 49 SER CB C 49 65.469 65.469 63.488 1.981 18864 6231 1 15 . 1 1 49 49 SER H H 49 7.255 7.255 8.677 -1.422 18864 6232 1 15 . 1 1 50 50 ALA N N 50 130.821 130.821 126.188 4.633 18864 6233 1 15 . 1 1 50 50 ALA HA H 50 3.826 3.826 3.998 -0.172 18864 6234 1 15 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.016 1.854 18864 6235 1 15 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.192 1.193 18864 6236 1 15 . 1 1 50 50 ALA H H 50 8.571 8.571 8.736 -0.165 18864 6237 1 15 . 1 1 51 51 LYS N N 51 110.700 110.700 116.780 -6.080 18864 6238 1 15 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.102 0.135 18864 6239 1 15 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.315 -0.728 18864 6240 1 15 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.275 -0.157 18864 6241 1 15 . 1 1 51 51 LYS H H 51 7.761 7.761 8.556 -0.795 18864 6242 1 15 . 1 1 52 52 ARG N N 52 120.280 120.280 117.281 2.999 18864 6243 1 15 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.498 0.289 18864 6244 1 15 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.377 -1.175 18864 6245 1 15 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.348 -0.844 18864 6246 1 15 . 1 1 52 52 ARG H H 52 7.650 7.650 7.585 0.065 18864 6247 1 15 . 1 1 53 53 ASP N N 53 117.809 117.809 118.493 -0.684 18864 6248 1 15 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.383 0.018 18864 6249 1 15 . 1 1 53 53 ASP CA C 53 56.347 56.347 56.073 0.274 18864 6250 1 15 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.425 -0.803 18864 6251 1 15 . 1 1 53 53 ASP H H 53 8.157 8.157 8.622 -0.465 18864 6252 1 15 . 1 1 54 54 GLY N N 54 104.041 104.041 103.430 0.611 18864 6253 1 15 . 1 1 54 54 GLY CA C 54 45.628 45.628 45.875 -0.247 18864 6254 1 15 . 1 1 54 54 GLY H H 54 8.279 8.279 9.003 -0.724 18864 6255 1 15 . 1 1 55 55 SER N N 55 113.436 113.436 118.334 -4.898 18864 6256 1 15 . 1 1 55 55 SER HA H 55 4.578 4.578 4.380 0.198 18864 6257 1 15 . 1 1 55 55 SER CA C 55 59.851 59.851 59.783 0.068 18864 6258 1 15 . 1 1 55 55 SER CB C 55 64.102 64.102 63.390 0.712 18864 6259 1 15 . 1 1 55 55 SER H H 55 7.524 7.524 8.064 -0.540 18864 6260 1 15 . 1 1 56 56 LEU N N 56 126.328 126.328 125.822 0.506 18864 6261 1 15 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.382 0.109 18864 6262 1 15 . 1 1 56 56 LEU CA C 56 54.138 54.138 54.737 -0.599 18864 6263 1 15 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.628 0.632 18864 6264 1 15 . 1 1 56 56 LEU H H 56 8.818 8.818 8.785 0.033 18864 6265 1 15 . 1 1 57 57 GLY N N 57 107.077 107.077 106.714 0.363 18864 6266 1 15 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.965 0.230 18864 6267 1 15 . 1 1 57 57 GLY H H 57 8.072 8.072 7.842 0.230 18864 6268 1 15 . 1 1 58 58 TYR N N 58 115.734 115.734 121.637 -5.903 18864 6269 1 15 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.758 0.433 18864 6270 1 15 . 1 1 58 58 TYR CA C 58 57.850 57.850 58.328 -0.478 18864 6271 1 15 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.895 1.779 18864 6272 1 15 . 1 1 58 58 TYR H H 58 8.348 8.348 8.516 -0.168 18864 6273 1 15 . 1 1 59 59 PHE N N 59 118.174 118.174 118.959 -0.785 18864 6274 1 15 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.000 0.037 18864 6275 1 15 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.236 0.079 18864 6276 1 15 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.742 -0.152 18864 6277 1 15 . 1 1 59 59 PHE H H 59 9.136 9.136 8.250 0.886 18864 6278 1 15 . 1 1 60 60 GLY N N 60 106.839 106.839 108.222 -1.383 18864 6279 1 15 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.320 -0.159 18864 6280 1 15 . 1 1 60 60 GLY H H 60 8.594 8.594 8.553 0.041 18864 6281 1 15 . 1 1 61 61 ARG N N 61 119.161 119.161 119.804 -0.643 18864 6282 1 15 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.187 -0.184 18864 6283 1 15 . 1 1 61 61 ARG CA C 61 57.419 57.419 58.312 -0.893 18864 6284 1 15 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.317 -0.019 18864 6285 1 15 . 1 1 61 61 ARG H H 61 8.833 8.833 8.783 0.050 18864 6286 1 15 . 1 1 62 62 GLY N N 62 112.714 112.714 114.787 -2.073 18864 6287 1 15 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.197 0.304 18864 6288 1 15 . 1 1 62 62 GLY H H 62 10.418 10.418 10.173 0.245 18864 6289 1 15 . 1 1 63 63 LYS N N 63 120.687 120.687 120.195 0.492 18864 6290 1 15 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.241 0.145 18864 6291 1 15 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.696 -0.576 18864 6292 1 15 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.904 1.958 18864 6293 1 15 . 1 1 63 63 LYS H H 63 7.706 7.706 7.989 -0.282 18864 6294 1 15 . 1 1 64 64 MET N N 64 117.704 117.704 117.496 0.208 18864 6295 1 15 . 1 1 64 64 MET HA H 64 4.608 4.608 4.403 0.205 18864 6296 1 15 . 1 1 64 64 MET CA C 64 51.959 51.959 52.702 -0.743 18864 6297 1 15 . 1 1 64 64 MET CB C 64 33.012 33.012 33.668 -0.656 18864 6298 1 15 . 1 1 64 64 MET H H 64 9.046 9.046 7.959 1.087 18864 6299 1 15 . 1 1 65 65 VAL N N 65 113.540 113.540 117.740 -4.200 18864 6300 1 15 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.046 0.167 18864 6301 1 15 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.536 0.804 18864 6302 1 15 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.874 -0.073 18864 6303 1 15 . 1 1 65 65 VAL H H 65 8.043 8.043 8.124 -0.081 18864 6304 1 15 . 1 1 66 66 LYS N N 66 124.592 124.592 127.084 -2.492 18864 6305 1 15 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.113 0.090 18864 6306 1 15 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.832 -0.410 18864 6307 1 15 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.422 0.011 18864 6308 1 15 . 1 1 66 66 LYS H H 66 8.877 8.877 8.972 -0.095 18864 6309 1 15 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.217 0.234 18864 6310 1 15 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.189 -0.140 18864 6311 1 15 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.440 -0.189 18864 6312 1 15 . 1 1 68 68 PHE N N 68 115.149 115.149 118.884 -3.735 18864 6313 1 15 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.997 -0.310 18864 6314 1 15 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.862 -1.106 18864 6315 1 15 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.930 1.252 18864 6316 1 15 . 1 1 68 68 PHE H H 68 6.997 6.997 7.986 -0.989 18864 6317 1 15 . 1 1 69 69 GLU N N 69 119.933 119.933 119.612 0.321 18864 6318 1 15 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.112 -0.116 18864 6319 1 15 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.192 0.772 18864 6320 1 15 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.624 1.301 18864 6321 1 15 . 1 1 69 69 GLU H H 69 8.562 8.562 8.507 0.055 18864 6322 1 15 . 1 1 70 70 ASP N N 70 116.956 116.956 120.643 -3.687 18864 6323 1 15 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.524 -0.139 18864 6324 1 15 . 1 1 70 70 ASP CA C 70 57.173 57.173 58.069 -0.896 18864 6325 1 15 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.535 -0.346 18864 6326 1 15 . 1 1 70 70 ASP H H 70 9.074 9.074 8.773 0.301 18864 6327 1 15 . 1 1 71 71 ALA N N 71 117.745 117.745 122.185 -4.440 18864 6328 1 15 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.950 0.222 18864 6329 1 15 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.008 -0.693 18864 6330 1 15 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.394 2.108 18864 6331 1 15 . 1 1 71 71 ALA H H 71 6.888 6.888 7.955 -1.067 18864 6332 1 15 . 1 1 72 72 ALA N N 72 120.783 120.783 121.819 -1.036 18864 6333 1 15 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.856 -0.110 18864 6334 1 15 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.576 0.817 18864 6335 1 15 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.581 0.503 18864 6336 1 15 . 1 1 72 72 ALA H H 72 8.860 8.860 8.080 0.780 18864 6337 1 15 . 1 1 73 73 PHE N N 73 110.353 110.353 117.049 -6.696 18864 6338 1 15 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.166 -0.145 18864 6339 1 15 . 1 1 73 73 PHE CA C 73 61.566 61.566 62.169 -0.603 18864 6340 1 15 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.782 -0.455 18864 6341 1 15 . 1 1 73 73 PHE H H 73 8.275 8.275 8.329 -0.054 18864 6342 1 15 . 1 1 74 74 ARG N N 74 116.189 116.189 119.509 -3.320 18864 6343 1 15 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.116 0.358 18864 6344 1 15 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.196 -2.829 18864 6345 1 15 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.198 1.502 18864 6346 1 15 . 1 1 74 74 ARG H H 74 7.047 7.047 7.594 -0.547 18864 6347 1 15 . 1 1 75 75 LEU N N 75 119.425 119.425 118.132 1.293 18864 6348 1 15 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.449 -0.170 18864 6349 1 15 . 1 1 75 75 LEU CA C 75 55.001 55.001 54.340 0.661 18864 6350 1 15 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.615 2.530 18864 6351 1 15 . 1 1 75 75 LEU H H 75 7.033 7.033 7.507 -0.474 18864 6352 1 15 . 1 1 76 76 GLN N N 76 121.205 121.205 119.396 1.809 18864 6353 1 15 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.976 0.431 18864 6354 1 15 . 1 1 76 76 GLN CA C 76 54.459 54.459 57.910 -3.450 18864 6355 1 15 . 1 1 76 76 GLN CB C 76 29.620 29.620 27.988 1.632 18864 6356 1 15 . 1 1 76 76 GLN H H 76 9.087 9.087 7.686 1.401 18864 6357 1 15 . 1 1 77 77 VAL N N 77 121.809 121.809 116.161 5.648 18864 6358 1 15 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.806 0.597 18864 6359 1 15 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.001 4.582 18864 6360 1 15 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.813 -3.197 18864 6361 1 15 . 1 1 77 77 VAL H H 77 8.901 8.901 7.523 1.378 18864 6362 1 15 . 1 1 78 78 GLY N N 78 117.559 117.559 108.098 9.461 18864 6363 1 15 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.807 0.326 18864 6364 1 15 . 1 1 78 78 GLY H H 78 9.049 9.049 8.057 0.992 18864 6365 1 15 . 1 1 79 79 GLU N N 79 122.304 122.304 118.982 3.322 18864 6366 1 15 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.644 -0.377 18864 6367 1 15 . 1 1 79 79 GLU CA C 79 56.547 56.547 53.836 2.711 18864 6368 1 15 . 1 1 79 79 GLU CB C 79 32.290 32.290 32.541 -0.251 18864 6369 1 15 . 1 1 79 79 GLU H H 79 8.093 8.093 7.599 0.494 18864 6370 1 15 . 1 1 80 80 VAL N N 80 122.253 122.253 122.456 -0.203 18864 6371 1 15 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.358 0.688 18864 6372 1 15 . 1 1 80 80 VAL CA C 80 60.322 60.322 62.242 -1.921 18864 6373 1 15 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.376 1.181 18864 6374 1 15 . 1 1 80 80 VAL H H 80 8.133 8.133 8.338 -0.205 18864 6375 1 15 . 1 1 81 81 SER N N 81 125.484 125.484 123.319 2.165 18864 6376 1 15 . 1 1 81 81 SER HA H 81 4.346 4.346 4.468 -0.122 18864 6377 1 15 . 1 1 81 81 SER CA C 81 59.316 59.316 58.472 0.844 18864 6378 1 15 . 1 1 81 81 SER CB C 81 65.988 65.988 64.541 1.447 18864 6379 1 15 . 1 1 81 81 SER H H 81 9.927 9.927 8.830 1.097 18864 6380 1 15 . 1 1 82 82 GLU N N 82 116.381 116.381 121.344 -4.963 18864 6381 1 15 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.509 0.114 18864 6382 1 15 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.844 0.807 18864 6383 1 15 . 1 1 82 82 GLU CB C 82 28.330 28.330 29.421 -1.091 18864 6384 1 15 . 1 1 82 82 GLU H H 82 7.986 7.986 8.561 -0.575 18864 6385 1 15 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.507 0.226 18864 6386 1 15 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.604 0.078 18864 6387 1 15 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.911 -0.469 18864 6388 1 15 . 1 1 84 84 VAL N N 84 127.594 127.594 126.441 1.153 18864 6389 1 15 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.301 0.060 18864 6390 1 15 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.784 0.467 18864 6391 1 15 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.583 3.027 18864 6392 1 15 . 1 1 84 84 VAL H H 84 9.630 9.630 9.172 0.458 18864 6393 1 15 . 1 1 85 85 LYS N N 85 130.184 130.184 130.655 -0.471 18864 6394 1 15 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.687 -0.407 18864 6395 1 15 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.695 0.466 18864 6396 1 15 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.293 0.391 18864 6397 1 15 . 1 1 85 85 LYS H H 85 8.827 8.827 8.762 0.065 18864 6398 1 15 . 1 1 86 86 SER N N 86 125.071 125.071 121.181 3.890 18864 6399 1 15 . 1 1 86 86 SER HA H 86 4.925 4.925 4.890 0.035 18864 6400 1 15 . 1 1 86 86 SER CA C 86 56.939 56.939 56.793 0.146 18864 6401 1 15 . 1 1 86 86 SER CB C 86 67.836 67.836 66.572 1.264 18864 6402 1 15 . 1 1 86 86 SER H H 86 9.594 9.594 8.760 0.834 18864 6403 1 15 . 1 1 87 87 GLU N N 87 118.510 118.510 119.795 -1.285 18864 6404 1 15 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.039 0.081 18864 6405 1 15 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.465 -0.380 18864 6406 1 15 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.306 0.074 18864 6407 1 15 . 1 1 87 87 GLU H H 87 9.615 9.615 9.049 0.566 18864 6408 1 15 . 1 1 88 88 PHE N N 88 118.385 118.385 118.917 -0.532 18864 6409 1 15 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.274 0.265 18864 6410 1 15 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.804 -1.304 18864 6411 1 15 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.973 0.186 18864 6412 1 15 . 1 1 88 88 PHE H H 88 8.817 8.817 7.986 0.831 18864 6413 1 15 . 1 1 89 89 GLY N N 89 107.269 107.269 105.308 1.961 18864 6414 1 15 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.786 0.302 18864 6415 1 15 . 1 1 89 89 GLY H H 89 7.405 7.405 7.887 -0.482 18864 6416 1 15 . 1 1 90 90 TYR N N 90 119.181 119.181 122.094 -2.913 18864 6417 1 15 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.554 -0.474 18864 6418 1 15 . 1 1 90 90 TYR CA C 90 57.336 57.336 56.950 0.385 18864 6419 1 15 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.801 1.028 18864 6420 1 15 . 1 1 90 90 TYR H H 90 9.119 9.119 8.072 1.047 18864 6421 1 15 . 1 1 91 91 HIS N N 91 120.399 120.399 121.865 -1.466 18864 6422 1 15 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.644 -0.087 18864 6423 1 15 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.153 0.293 18864 6424 1 15 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.330 -2.033 18864 6425 1 15 . 1 1 91 91 HIS H H 91 9.879 9.879 9.503 0.376 18864 6426 1 15 . 1 1 92 92 VAL N N 92 122.606 122.606 122.912 -0.306 18864 6427 1 15 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.483 -0.496 18864 6428 1 15 . 1 1 92 92 VAL CA C 92 63.928 63.928 62.027 1.901 18864 6429 1 15 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.591 -0.369 18864 6430 1 15 . 1 1 92 92 VAL H H 92 9.102 9.102 9.170 -0.068 18864 6431 1 15 . 1 1 93 93 ILE N N 93 128.087 128.087 128.586 -0.499 18864 6432 1 15 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.189 -0.410 18864 6433 1 15 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.807 1.129 18864 6434 1 15 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.883 0.889 18864 6435 1 15 . 1 1 93 93 ILE H H 93 8.623 8.623 9.734 -1.111 18864 6436 1 15 . 1 1 94 94 LYS N N 94 125.877 125.877 127.759 -1.882 18864 6437 1 15 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.767 0.544 18864 6438 1 15 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.462 0.771 18864 6439 1 15 . 1 1 94 94 LYS CB C 94 36.488 36.488 35.259 1.229 18864 6440 1 15 . 1 1 94 94 LYS H H 94 8.881 8.881 9.171 -0.291 18864 6441 1 15 . 1 1 95 95 ARG N N 95 126.274 126.274 127.114 -0.840 18864 6442 1 15 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.308 0.715 18864 6443 1 15 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.464 -0.450 18864 6444 1 15 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.028 -1.271 18864 6445 1 15 . 1 1 95 95 ARG H H 95 7.955 7.955 8.284 -0.329 18864 6446 1 15 . 1 1 96 96 LEU N N 96 129.551 129.551 128.583 0.968 18864 6447 1 15 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.408 0.179 18864 6448 1 15 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.917 0.604 18864 6449 1 15 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.422 -0.038 18864 6450 1 15 . 1 1 96 96 LEU H H 96 9.017 9.017 8.685 0.332 18864 6451 1 16 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.549 -0.079 18864 6452 1 16 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.652 0.594 18864 6453 1 16 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.558 -0.170 18864 6454 1 16 . 1 1 3 3 MET HA H 3 4.476 4.476 4.289 0.187 18864 6455 1 16 . 1 1 3 3 MET CA C 3 56.002 56.002 55.246 0.756 18864 6456 1 16 . 1 1 3 3 MET CB C 3 32.025 32.025 32.231 -0.206 18864 6457 1 16 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.286 0.147 18864 6458 1 16 . 1 1 5 5 SER HA H 5 4.427 4.427 4.416 0.011 18864 6459 1 16 . 1 1 5 5 SER CA C 5 58.631 58.631 57.822 0.809 18864 6460 1 16 . 1 1 5 5 SER CB C 5 64.117 64.117 63.915 0.202 18864 6461 1 16 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.317 0.108 18864 6462 1 16 . 1 1 7 7 ALA CA C 7 52.645 52.645 52.695 -0.050 18864 6463 1 16 . 1 1 7 7 ALA CB C 7 19.616 19.616 16.934 2.682 18864 6464 1 16 . 1 1 8 8 ASP N N 8 119.103 119.103 117.606 1.497 18864 6465 1 16 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.584 0.037 18864 6466 1 16 . 1 1 8 8 ASP CA C 8 55.170 55.170 54.022 1.148 18864 6467 1 16 . 1 1 8 8 ASP CB C 8 41.375 41.375 40.455 0.920 18864 6468 1 16 . 1 1 8 8 ASP H H 8 8.353 8.353 8.035 0.318 18864 6469 1 16 . 1 1 9 9 LYS N N 9 117.781 117.781 117.496 0.285 18864 6470 1 16 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.542 0.424 18864 6471 1 16 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.044 1.323 18864 6472 1 16 . 1 1 9 9 LYS CB C 9 36.080 36.080 36.236 -0.156 18864 6473 1 16 . 1 1 9 9 LYS H H 9 7.858 7.858 7.125 0.733 18864 6474 1 16 . 1 1 10 10 ILE N N 10 114.675 114.675 120.793 -6.118 18864 6475 1 16 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.085 0.429 18864 6476 1 16 . 1 1 10 10 ILE CA C 10 59.560 59.560 58.132 1.428 18864 6477 1 16 . 1 1 10 10 ILE CB C 10 42.395 42.395 36.671 5.724 18864 6478 1 16 . 1 1 10 10 ILE H H 10 8.254 8.254 8.388 -0.134 18864 6479 1 16 . 1 1 11 11 LYS N N 11 121.626 121.626 128.853 -7.227 18864 6480 1 16 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.721 0.070 18864 6481 1 16 . 1 1 11 11 LYS CA C 11 53.911 53.911 55.980 -2.068 18864 6482 1 16 . 1 1 11 11 LYS CB C 11 33.603 33.603 32.252 1.351 18864 6483 1 16 . 1 1 11 11 LYS H H 11 7.974 7.974 8.436 -0.462 18864 6484 1 16 . 1 1 12 12 CYS N N 12 118.054 118.054 123.134 -5.080 18864 6485 1 16 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.392 0.246 18864 6486 1 16 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.050 0.609 18864 6487 1 16 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.050 2.575 18864 6488 1 16 . 1 1 12 12 CYS H H 12 7.256 7.256 9.248 -1.992 18864 6489 1 16 . 1 1 13 13 SER N N 13 117.042 117.042 115.429 1.613 18864 6490 1 16 . 1 1 13 13 SER HA H 13 5.625 5.625 5.819 -0.194 18864 6491 1 16 . 1 1 13 13 SER CA C 13 56.017 56.017 56.917 -0.900 18864 6492 1 16 . 1 1 13 13 SER CB C 13 66.920 66.920 65.923 0.997 18864 6493 1 16 . 1 1 13 13 SER H H 13 9.186 9.186 9.068 0.118 18864 6494 1 16 . 1 1 14 14 HIS N N 14 119.162 119.162 120.030 -0.868 18864 6495 1 16 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.189 0.221 18864 6496 1 16 . 1 1 14 14 HIS CA C 14 54.594 54.594 53.933 0.661 18864 6497 1 16 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.251 3.372 18864 6498 1 16 . 1 1 14 14 HIS H H 14 9.902 9.902 9.604 0.298 18864 6499 1 16 . 1 1 15 15 ILE N N 15 121.809 121.809 121.810 -0.001 18864 6500 1 16 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.096 -0.659 18864 6501 1 16 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.818 2.058 18864 6502 1 16 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.284 0.509 18864 6503 1 16 . 1 1 15 15 ILE H H 15 8.913 8.913 9.163 -0.250 18864 6504 1 16 . 1 1 16 16 LEU N N 16 129.008 129.008 130.065 -1.057 18864 6505 1 16 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.082 -0.064 18864 6506 1 16 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.578 -0.915 18864 6507 1 16 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.509 1.507 18864 6508 1 16 . 1 1 16 16 LEU H H 16 7.632 7.632 8.358 -0.726 18864 6509 1 16 . 1 1 17 17 VAL N N 17 117.991 117.991 121.768 -3.777 18864 6510 1 16 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.666 0.293 18864 6511 1 16 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.242 -0.401 18864 6512 1 16 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.316 -0.527 18864 6513 1 16 . 1 1 17 17 VAL H H 17 9.025 9.025 9.230 -0.205 18864 6514 1 16 . 1 1 18 18 LYS N N 18 119.296 119.296 121.428 -2.132 18864 6515 1 16 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.197 0.204 18864 6516 1 16 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.348 0.025 18864 6517 1 16 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.904 1.406 18864 6518 1 16 . 1 1 18 18 LYS H H 18 8.781 8.781 8.380 0.401 18864 6519 1 16 . 1 1 19 19 LYS N N 19 114.107 114.107 118.085 -3.978 18864 6520 1 16 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.385 0.450 18864 6521 1 16 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.497 0.228 18864 6522 1 16 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.390 1.414 18864 6523 1 16 . 1 1 19 19 LYS H H 19 8.023 8.023 8.324 -0.301 18864 6524 1 16 . 1 1 20 20 GLN N N 20 125.662 125.662 121.965 3.697 18864 6525 1 16 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.765 1.089 18864 6526 1 16 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.536 -0.101 18864 6527 1 16 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.223 -0.254 18864 6528 1 16 . 1 1 20 20 GLN H H 20 8.795 8.795 8.554 0.241 18864 6529 1 16 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.949 0.048 18864 6530 1 16 . 1 1 22 22 GLU N N 22 119.712 119.712 122.521 -2.809 18864 6531 1 16 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.024 0.091 18864 6532 1 16 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.516 -1.394 18864 6533 1 16 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.377 0.339 18864 6534 1 16 . 1 1 22 22 GLU H H 22 6.765 6.765 8.354 -1.589 18864 6535 1 16 . 1 1 23 23 ALA N N 23 124.106 124.106 123.401 0.705 18864 6536 1 16 . 1 1 23 23 ALA HA H 23 3.768 3.768 4.010 -0.242 18864 6537 1 16 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.504 -0.599 18864 6538 1 16 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.392 -0.589 18864 6539 1 16 . 1 1 23 23 ALA H H 23 7.461 7.461 8.197 -0.736 18864 6540 1 16 . 1 1 24 24 LEU N N 24 118.772 118.772 119.749 -0.977 18864 6541 1 16 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.368 -0.189 18864 6542 1 16 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.432 0.405 18864 6543 1 16 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.559 0.645 18864 6544 1 16 . 1 1 24 24 LEU H H 24 7.989 7.989 8.494 -0.505 18864 6545 1 16 . 1 1 25 25 ALA N N 25 121.590 121.590 122.742 -1.152 18864 6546 1 16 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.990 0.206 18864 6547 1 16 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.592 -0.396 18864 6548 1 16 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.209 -0.312 18864 6549 1 16 . 1 1 25 25 ALA H H 25 7.472 7.472 8.562 -1.090 18864 6550 1 16 . 1 1 26 26 VAL N N 26 118.603 118.603 117.006 1.597 18864 6551 1 16 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.627 -0.357 18864 6552 1 16 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.522 1.784 18864 6553 1 16 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.173 1.239 18864 6554 1 16 . 1 1 26 26 VAL H H 26 7.633 7.633 8.456 -0.823 18864 6555 1 16 . 1 1 27 27 GLN N N 27 117.799 117.799 120.455 -2.656 18864 6556 1 16 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.983 -0.027 18864 6557 1 16 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.453 0.846 18864 6558 1 16 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.406 1.414 18864 6559 1 16 . 1 1 27 27 GLN H H 27 8.000 8.000 8.438 -0.438 18864 6560 1 16 . 1 1 28 28 GLU N N 28 118.775 118.775 118.486 0.289 18864 6561 1 16 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.097 -0.080 18864 6562 1 16 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.718 0.857 18864 6563 1 16 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.413 0.197 18864 6564 1 16 . 1 1 28 28 GLU H H 28 8.107 8.107 8.384 -0.277 18864 6565 1 16 . 1 1 29 29 ARG N N 29 121.360 121.360 119.873 1.487 18864 6566 1 16 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.023 0.103 18864 6567 1 16 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.130 0.944 18864 6568 1 16 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.173 1.208 18864 6569 1 16 . 1 1 29 29 ARG H H 29 8.084 8.084 8.260 -0.176 18864 6570 1 16 . 1 1 30 30 LEU N N 30 120.289 120.289 119.787 0.502 18864 6571 1 16 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.203 0.132 18864 6572 1 16 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.057 -0.385 18864 6573 1 16 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.098 0.642 18864 6574 1 16 . 1 1 30 30 LEU H H 30 8.379 8.379 8.848 -0.469 18864 6575 1 16 . 1 1 31 31 LYS N N 31 122.554 122.554 118.440 4.114 18864 6576 1 16 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.139 -0.086 18864 6577 1 16 . 1 1 31 31 LYS CA C 31 59.429 59.429 57.906 1.523 18864 6578 1 16 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.176 1.143 18864 6579 1 16 . 1 1 31 31 LYS H H 31 8.280 8.280 7.593 0.687 18864 6580 1 16 . 1 1 32 32 ALA N N 32 119.271 119.271 120.714 -1.443 18864 6581 1 16 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.304 0.074 18864 6582 1 16 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.363 0.213 18864 6583 1 16 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.008 -0.187 18864 6584 1 16 . 1 1 32 32 ALA H H 32 7.557 7.557 8.080 -0.523 18864 6585 1 16 . 1 1 33 33 GLY N N 33 105.104 105.104 106.048 -0.944 18864 6586 1 16 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.802 -0.057 18864 6587 1 16 . 1 1 33 33 GLY H H 33 7.758 7.758 7.866 -0.108 18864 6588 1 16 . 1 1 34 34 GLU N N 34 121.024 121.024 119.724 1.300 18864 6589 1 16 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.353 -0.074 18864 6590 1 16 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.845 2.327 18864 6591 1 16 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.610 0.126 18864 6592 1 16 . 1 1 34 34 GLU H H 34 7.871 7.871 7.978 -0.107 18864 6593 1 16 . 1 1 35 35 LYS N N 35 121.214 121.214 123.139 -1.925 18864 6594 1 16 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.310 -0.045 18864 6595 1 16 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.346 -0.029 18864 6596 1 16 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.317 -0.255 18864 6597 1 16 . 1 1 35 35 LYS H H 35 8.776 8.776 8.611 0.165 18864 6598 1 16 . 1 1 36 36 PHE N N 36 125.726 125.726 127.072 -1.346 18864 6599 1 16 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.204 -0.561 18864 6600 1 16 . 1 1 36 36 PHE CA C 36 62.830 62.830 61.950 0.880 18864 6601 1 16 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.068 1.227 18864 6602 1 16 . 1 1 36 36 PHE H H 36 8.972 8.972 8.970 0.002 18864 6603 1 16 . 1 1 37 37 GLY N N 37 103.959 103.959 105.545 -1.586 18864 6604 1 16 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.984 0.361 18864 6605 1 16 . 1 1 37 37 GLY H H 37 9.123 9.123 8.815 0.308 18864 6606 1 16 . 1 1 38 38 LYS N N 38 120.432 120.432 121.526 -1.094 18864 6607 1 16 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.024 0.034 18864 6608 1 16 . 1 1 38 38 LYS CA C 38 59.029 59.029 58.792 0.237 18864 6609 1 16 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.089 0.566 18864 6610 1 16 . 1 1 38 38 LYS H H 38 6.683 6.683 7.715 -1.032 18864 6611 1 16 . 1 1 39 39 LEU N N 39 119.598 119.598 119.043 0.555 18864 6612 1 16 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.020 -0.113 18864 6613 1 16 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.822 -0.208 18864 6614 1 16 . 1 1 39 39 LEU CB C 39 41.744 41.744 41.175 0.569 18864 6615 1 16 . 1 1 39 39 LEU H H 39 7.754 7.754 8.182 -0.428 18864 6616 1 16 . 1 1 40 40 ALA N N 40 121.385 121.385 122.936 -1.551 18864 6617 1 16 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.852 -0.080 18864 6618 1 16 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.925 0.950 18864 6619 1 16 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.300 -1.115 18864 6620 1 16 . 1 1 40 40 ALA H H 40 8.437 8.437 8.489 -0.052 18864 6621 1 16 . 1 1 41 41 LYS N N 41 116.991 116.991 117.021 -0.030 18864 6622 1 16 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.034 -0.112 18864 6623 1 16 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.463 0.296 18864 6624 1 16 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.433 0.178 18864 6625 1 16 . 1 1 41 41 LYS H H 41 7.681 7.681 7.948 -0.267 18864 6626 1 16 . 1 1 42 42 GLU N N 42 117.121 117.121 117.988 -0.867 18864 6627 1 16 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.123 -0.095 18864 6628 1 16 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.391 0.669 18864 6629 1 16 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.135 1.360 18864 6630 1 16 . 1 1 42 42 GLU H H 42 7.796 7.796 7.758 0.038 18864 6631 1 16 . 1 1 43 43 LEU N N 43 112.754 112.754 117.898 -5.144 18864 6632 1 16 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.186 0.352 18864 6633 1 16 . 1 1 43 43 LEU CA C 43 55.177 55.177 56.230 -1.053 18864 6634 1 16 . 1 1 43 43 LEU CB C 43 45.062 45.062 42.915 2.147 18864 6635 1 16 . 1 1 43 43 LEU H H 43 8.305 8.305 8.207 0.098 18864 6636 1 16 . 1 1 44 44 SER N N 44 110.514 110.514 112.531 -2.017 18864 6637 1 16 . 1 1 44 44 SER HA H 44 4.707 4.707 4.487 0.220 18864 6638 1 16 . 1 1 44 44 SER CA C 44 57.490 57.490 59.363 -1.873 18864 6639 1 16 . 1 1 44 44 SER CB C 44 65.461 65.461 63.648 1.812 18864 6640 1 16 . 1 1 44 44 SER H H 44 8.255 8.255 7.419 0.836 18864 6641 1 16 . 1 1 45 45 ILE N N 45 120.438 120.438 116.545 3.893 18864 6642 1 16 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.167 0.252 18864 6643 1 16 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.983 0.876 18864 6644 1 16 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.040 -0.911 18864 6645 1 16 . 1 1 45 45 ILE H H 45 9.238 9.238 8.548 0.690 18864 6646 1 16 . 1 1 46 46 ASP N N 46 120.068 120.068 122.089 -2.021 18864 6647 1 16 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.671 -0.293 18864 6648 1 16 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.767 -0.015 18864 6649 1 16 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.769 -0.353 18864 6650 1 16 . 1 1 46 46 ASP H H 46 7.488 7.488 7.643 -0.155 18864 6651 1 16 . 1 1 47 47 GLY N N 47 114.910 114.910 113.500 1.410 18864 6652 1 16 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.946 0.372 18864 6653 1 16 . 1 1 47 47 GLY H H 47 8.562 8.562 8.135 0.427 18864 6654 1 16 . 1 1 48 48 GLY N N 48 106.725 106.725 109.787 -3.062 18864 6655 1 16 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.925 -0.299 18864 6656 1 16 . 1 1 48 48 GLY H H 48 8.328 8.328 8.087 0.241 18864 6657 1 16 . 1 1 49 49 SER N N 49 110.646 110.646 118.089 -7.443 18864 6658 1 16 . 1 1 49 49 SER HA H 49 4.560 4.560 4.219 0.341 18864 6659 1 16 . 1 1 49 49 SER CA C 49 59.559 59.559 61.883 -2.324 18864 6660 1 16 . 1 1 49 49 SER CB C 49 65.469 65.469 63.045 2.424 18864 6661 1 16 . 1 1 49 49 SER H H 49 7.255 7.255 8.670 -1.415 18864 6662 1 16 . 1 1 50 50 ALA N N 50 130.821 130.821 125.246 5.575 18864 6663 1 16 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.017 -0.191 18864 6664 1 16 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.002 1.869 18864 6665 1 16 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.100 1.285 18864 6666 1 16 . 1 1 50 50 ALA H H 50 8.571 8.571 8.054 0.517 18864 6667 1 16 . 1 1 51 51 LYS N N 51 110.700 110.700 116.225 -5.525 18864 6668 1 16 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.202 0.035 18864 6669 1 16 . 1 1 51 51 LYS CA C 51 57.587 57.587 57.509 0.078 18864 6670 1 16 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.199 -0.081 18864 6671 1 16 . 1 1 51 51 LYS H H 51 7.761 7.761 8.243 -0.482 18864 6672 1 16 . 1 1 52 52 ARG N N 52 120.280 120.280 117.418 2.862 18864 6673 1 16 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.592 0.195 18864 6674 1 16 . 1 1 52 52 ARG CA C 52 54.202 54.202 54.211 -0.009 18864 6675 1 16 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.180 -0.676 18864 6676 1 16 . 1 1 52 52 ARG H H 52 7.650 7.650 7.696 -0.046 18864 6677 1 16 . 1 1 53 53 ASP N N 53 117.809 117.809 119.058 -1.249 18864 6678 1 16 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.444 -0.043 18864 6679 1 16 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.761 0.586 18864 6680 1 16 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.424 -0.802 18864 6681 1 16 . 1 1 53 53 ASP H H 53 8.157 8.157 8.308 -0.151 18864 6682 1 16 . 1 1 54 54 GLY N N 54 104.041 104.041 104.436 -0.395 18864 6683 1 16 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.384 -0.756 18864 6684 1 16 . 1 1 54 54 GLY H H 54 8.279 8.279 9.116 -0.837 18864 6685 1 16 . 1 1 55 55 SER N N 55 113.436 113.436 117.601 -4.165 18864 6686 1 16 . 1 1 55 55 SER HA H 55 4.578 4.578 4.479 0.099 18864 6687 1 16 . 1 1 55 55 SER CA C 55 59.851 59.851 58.386 1.465 18864 6688 1 16 . 1 1 55 55 SER CB C 55 64.102 64.102 62.057 2.045 18864 6689 1 16 . 1 1 55 55 SER H H 55 7.524 7.524 8.355 -0.831 18864 6690 1 16 . 1 1 56 56 LEU N N 56 126.328 126.328 125.604 0.724 18864 6691 1 16 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.992 0.499 18864 6692 1 16 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.304 -2.166 18864 6693 1 16 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.137 1.123 18864 6694 1 16 . 1 1 56 56 LEU H H 56 8.818 8.818 8.246 0.572 18864 6695 1 16 . 1 1 57 57 GLY N N 57 107.077 107.077 103.883 3.194 18864 6696 1 16 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.442 0.753 18864 6697 1 16 . 1 1 57 57 GLY H H 57 8.072 8.072 7.889 0.183 18864 6698 1 16 . 1 1 58 58 TYR N N 58 115.734 115.734 120.359 -4.625 18864 6699 1 16 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.948 0.243 18864 6700 1 16 . 1 1 58 58 TYR CA C 58 57.850 57.850 56.199 1.651 18864 6701 1 16 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.256 2.418 18864 6702 1 16 . 1 1 58 58 TYR H H 58 8.348 8.348 7.602 0.746 18864 6703 1 16 . 1 1 59 59 PHE N N 59 118.174 118.174 118.912 -0.738 18864 6704 1 16 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.008 0.029 18864 6705 1 16 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.272 0.043 18864 6706 1 16 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.699 -0.109 18864 6707 1 16 . 1 1 59 59 PHE H H 59 9.136 9.136 8.186 0.950 18864 6708 1 16 . 1 1 60 60 GLY N N 60 106.839 106.839 108.499 -1.660 18864 6709 1 16 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.438 -0.277 18864 6710 1 16 . 1 1 60 60 GLY H H 60 8.594 8.594 8.535 0.059 18864 6711 1 16 . 1 1 61 61 ARG N N 61 119.161 119.161 120.067 -0.906 18864 6712 1 16 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.327 -0.324 18864 6713 1 16 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.552 -0.133 18864 6714 1 16 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.366 -0.068 18864 6715 1 16 . 1 1 61 61 ARG H H 61 8.833 8.833 8.787 0.046 18864 6716 1 16 . 1 1 62 62 GLY N N 62 112.714 112.714 113.591 -0.877 18864 6717 1 16 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.633 -0.132 18864 6718 1 16 . 1 1 62 62 GLY H H 62 10.418 10.418 9.945 0.473 18864 6719 1 16 . 1 1 63 63 LYS N N 63 120.687 120.687 120.718 -0.031 18864 6720 1 16 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.173 0.213 18864 6721 1 16 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.782 -0.662 18864 6722 1 16 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.720 2.142 18864 6723 1 16 . 1 1 63 63 LYS H H 63 7.706 7.706 7.900 -0.194 18864 6724 1 16 . 1 1 64 64 MET N N 64 117.704 117.704 117.135 0.569 18864 6725 1 16 . 1 1 64 64 MET HA H 64 4.608 4.608 4.472 0.136 18864 6726 1 16 . 1 1 64 64 MET CA C 64 51.959 51.959 52.457 -0.498 18864 6727 1 16 . 1 1 64 64 MET CB C 64 33.012 33.012 34.431 -1.419 18864 6728 1 16 . 1 1 64 64 MET H H 64 9.046 9.046 7.714 1.332 18864 6729 1 16 . 1 1 65 65 VAL N N 65 113.540 113.540 117.483 -3.943 18864 6730 1 16 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.988 0.225 18864 6731 1 16 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.592 -0.251 18864 6732 1 16 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.025 -0.224 18864 6733 1 16 . 1 1 65 65 VAL H H 65 8.043 8.043 8.170 -0.127 18864 6734 1 16 . 1 1 66 66 LYS N N 66 124.592 124.592 126.113 -1.521 18864 6735 1 16 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.110 0.093 18864 6736 1 16 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.086 0.336 18864 6737 1 16 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.606 0.827 18864 6738 1 16 . 1 1 66 66 LYS H H 66 8.877 8.877 8.859 0.018 18864 6739 1 16 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.260 0.191 18864 6740 1 16 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.007 0.042 18864 6741 1 16 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.380 -0.129 18864 6742 1 16 . 1 1 68 68 PHE N N 68 115.149 115.149 118.924 -3.775 18864 6743 1 16 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.031 -0.344 18864 6744 1 16 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.901 -1.145 18864 6745 1 16 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.990 1.192 18864 6746 1 16 . 1 1 68 68 PHE H H 68 6.997 6.997 8.111 -1.114 18864 6747 1 16 . 1 1 69 69 GLU N N 69 119.933 119.933 119.319 0.614 18864 6748 1 16 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.116 -0.120 18864 6749 1 16 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.962 1.002 18864 6750 1 16 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.587 1.337 18864 6751 1 16 . 1 1 69 69 GLU H H 69 8.562 8.562 8.355 0.207 18864 6752 1 16 . 1 1 70 70 ASP N N 70 116.956 116.956 120.402 -3.446 18864 6753 1 16 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.466 -0.081 18864 6754 1 16 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.464 -0.291 18864 6755 1 16 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.764 -0.576 18864 6756 1 16 . 1 1 70 70 ASP H H 70 9.074 9.074 8.559 0.515 18864 6757 1 16 . 1 1 71 71 ALA N N 71 117.745 117.745 121.033 -3.288 18864 6758 1 16 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.144 0.028 18864 6759 1 16 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.825 -0.510 18864 6760 1 16 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.317 2.185 18864 6761 1 16 . 1 1 71 71 ALA H H 71 6.888 6.888 7.911 -1.023 18864 6762 1 16 . 1 1 72 72 ALA N N 72 120.783 120.783 122.037 -1.254 18864 6763 1 16 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.796 -0.050 18864 6764 1 16 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.812 0.581 18864 6765 1 16 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.617 0.466 18864 6766 1 16 . 1 1 72 72 ALA H H 72 8.860 8.860 8.126 0.734 18864 6767 1 16 . 1 1 73 73 PHE N N 73 110.353 110.353 116.831 -6.478 18864 6768 1 16 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.120 -0.099 18864 6769 1 16 . 1 1 73 73 PHE CA C 73 61.566 61.566 62.167 -0.601 18864 6770 1 16 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.761 -0.434 18864 6771 1 16 . 1 1 73 73 PHE H H 73 8.275 8.275 8.573 -0.298 18864 6772 1 16 . 1 1 74 74 ARG N N 74 116.189 116.189 119.417 -3.228 18864 6773 1 16 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.095 0.379 18864 6774 1 16 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.180 -2.813 18864 6775 1 16 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.287 1.413 18864 6776 1 16 . 1 1 74 74 ARG H H 74 7.047 7.047 7.696 -0.649 18864 6777 1 16 . 1 1 75 75 LEU N N 75 119.425 119.425 118.048 1.377 18864 6778 1 16 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.434 -0.155 18864 6779 1 16 . 1 1 75 75 LEU CA C 75 55.001 55.001 55.686 -0.685 18864 6780 1 16 . 1 1 75 75 LEU CB C 75 43.145 43.145 41.695 1.450 18864 6781 1 16 . 1 1 75 75 LEU H H 75 7.033 7.033 7.813 -0.780 18864 6782 1 16 . 1 1 76 76 GLN N N 76 121.205 121.205 120.141 1.064 18864 6783 1 16 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.867 0.540 18864 6784 1 16 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.259 -4.800 18864 6785 1 16 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.169 1.451 18864 6786 1 16 . 1 1 76 76 GLN H H 76 9.087 9.087 7.754 1.333 18864 6787 1 16 . 1 1 77 77 VAL N N 77 121.809 121.809 118.951 2.858 18864 6788 1 16 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.737 0.666 18864 6789 1 16 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.325 3.258 18864 6790 1 16 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.318 -3.702 18864 6791 1 16 . 1 1 77 77 VAL H H 77 8.901 8.901 7.401 1.500 18864 6792 1 16 . 1 1 78 78 GLY N N 78 117.559 117.559 106.556 11.003 18864 6793 1 16 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.442 0.691 18864 6794 1 16 . 1 1 78 78 GLY H H 78 9.049 9.049 8.217 0.832 18864 6795 1 16 . 1 1 79 79 GLU N N 79 122.304 122.304 119.183 3.121 18864 6796 1 16 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.730 -0.463 18864 6797 1 16 . 1 1 79 79 GLU CA C 79 56.547 56.547 54.092 2.455 18864 6798 1 16 . 1 1 79 79 GLU CB C 79 32.290 32.290 33.761 -1.471 18864 6799 1 16 . 1 1 79 79 GLU H H 79 8.093 8.093 8.180 -0.087 18864 6800 1 16 . 1 1 80 80 VAL N N 80 122.253 122.253 120.297 1.956 18864 6801 1 16 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.580 0.466 18864 6802 1 16 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.408 -1.087 18864 6803 1 16 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.383 1.174 18864 6804 1 16 . 1 1 80 80 VAL H H 80 8.133 8.133 8.426 -0.293 18864 6805 1 16 . 1 1 81 81 SER N N 81 125.484 125.484 123.794 1.690 18864 6806 1 16 . 1 1 81 81 SER HA H 81 4.346 4.346 4.374 -0.028 18864 6807 1 16 . 1 1 81 81 SER CA C 81 59.316 59.316 58.551 0.765 18864 6808 1 16 . 1 1 81 81 SER CB C 81 65.988 65.988 64.166 1.822 18864 6809 1 16 . 1 1 81 81 SER H H 81 9.927 9.927 8.829 1.098 18864 6810 1 16 . 1 1 82 82 GLU N N 82 116.381 116.381 120.843 -4.462 18864 6811 1 16 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.365 0.258 18864 6812 1 16 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.865 0.786 18864 6813 1 16 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.358 -0.028 18864 6814 1 16 . 1 1 82 82 GLU H H 82 7.986 7.986 8.453 -0.467 18864 6815 1 16 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.495 0.238 18864 6816 1 16 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.534 0.148 18864 6817 1 16 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.994 -0.552 18864 6818 1 16 . 1 1 84 84 VAL N N 84 127.594 127.594 125.001 2.593 18864 6819 1 16 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.400 -0.039 18864 6820 1 16 . 1 1 84 84 VAL CA C 84 61.251 61.251 61.566 -0.314 18864 6821 1 16 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.944 2.666 18864 6822 1 16 . 1 1 84 84 VAL H H 84 9.630 9.630 9.327 0.303 18864 6823 1 16 . 1 1 85 85 LYS N N 85 130.184 130.184 130.785 -0.601 18864 6824 1 16 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.594 -0.314 18864 6825 1 16 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.106 0.055 18864 6826 1 16 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.541 0.143 18864 6827 1 16 . 1 1 85 85 LYS H H 85 8.827 8.827 8.903 -0.076 18864 6828 1 16 . 1 1 86 86 SER N N 86 125.071 125.071 122.272 2.799 18864 6829 1 16 . 1 1 86 86 SER HA H 86 4.925 4.925 4.854 0.071 18864 6830 1 16 . 1 1 86 86 SER CA C 86 56.939 56.939 56.910 0.029 18864 6831 1 16 . 1 1 86 86 SER CB C 86 67.836 67.836 66.222 1.615 18864 6832 1 16 . 1 1 86 86 SER H H 86 9.594 9.594 8.983 0.611 18864 6833 1 16 . 1 1 87 87 GLU N N 87 118.510 118.510 119.845 -1.335 18864 6834 1 16 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.012 0.108 18864 6835 1 16 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.463 -0.378 18864 6836 1 16 . 1 1 87 87 GLU CB C 87 29.380 29.380 28.966 0.414 18864 6837 1 16 . 1 1 87 87 GLU H H 87 9.615 9.615 8.992 0.623 18864 6838 1 16 . 1 1 88 88 PHE N N 88 118.385 118.385 119.599 -1.214 18864 6839 1 16 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.291 0.248 18864 6840 1 16 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.706 -1.205 18864 6841 1 16 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.854 0.305 18864 6842 1 16 . 1 1 88 88 PHE H H 88 8.817 8.817 7.762 1.055 18864 6843 1 16 . 1 1 89 89 GLY N N 89 107.269 107.269 103.949 3.320 18864 6844 1 16 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.755 0.333 18864 6845 1 16 . 1 1 89 89 GLY H H 89 7.405 7.405 7.511 -0.106 18864 6846 1 16 . 1 1 90 90 TYR N N 90 119.181 119.181 121.161 -1.980 18864 6847 1 16 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.566 -0.486 18864 6848 1 16 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.215 0.121 18864 6849 1 16 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.780 1.049 18864 6850 1 16 . 1 1 90 90 TYR H H 90 9.119 9.119 8.242 0.877 18864 6851 1 16 . 1 1 91 91 HIS N N 91 120.399 120.399 121.153 -0.754 18864 6852 1 16 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.676 -0.118 18864 6853 1 16 . 1 1 91 91 HIS CA C 91 54.446 54.446 53.916 0.530 18864 6854 1 16 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.596 -2.299 18864 6855 1 16 . 1 1 91 91 HIS H H 91 9.879 9.879 9.805 0.074 18864 6856 1 16 . 1 1 92 92 VAL N N 92 122.606 122.606 122.468 0.138 18864 6857 1 16 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.613 -0.626 18864 6858 1 16 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.547 2.381 18864 6859 1 16 . 1 1 92 92 VAL CB C 92 33.222 33.222 34.431 -1.209 18864 6860 1 16 . 1 1 92 92 VAL H H 92 9.102 9.102 9.275 -0.173 18864 6861 1 16 . 1 1 93 93 ILE N N 93 128.087 128.087 128.434 -0.347 18864 6862 1 16 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.161 -0.382 18864 6863 1 16 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.908 1.028 18864 6864 1 16 . 1 1 93 93 ILE CB C 93 41.772 41.772 39.864 1.908 18864 6865 1 16 . 1 1 93 93 ILE H H 93 8.623 8.623 9.650 -1.027 18864 6866 1 16 . 1 1 94 94 LYS N N 94 125.877 125.877 128.309 -2.432 18864 6867 1 16 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.923 0.388 18864 6868 1 16 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.470 0.763 18864 6869 1 16 . 1 1 94 94 LYS CB C 94 36.488 36.488 34.952 1.536 18864 6870 1 16 . 1 1 94 94 LYS H H 94 8.881 8.881 9.211 -0.330 18864 6871 1 16 . 1 1 95 95 ARG N N 95 126.274 126.274 125.994 0.280 18864 6872 1 16 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.182 0.841 18864 6873 1 16 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.340 -0.326 18864 6874 1 16 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.137 -1.379 18864 6875 1 16 . 1 1 95 95 ARG H H 95 7.955 7.955 7.979 -0.024 18864 6876 1 16 . 1 1 96 96 LEU N N 96 129.551 129.551 128.002 1.549 18864 6877 1 16 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.447 0.140 18864 6878 1 16 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.543 0.978 18864 6879 1 16 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.619 -0.235 18864 6880 1 16 . 1 1 96 96 LEU H H 96 9.017 9.017 8.700 0.317 18864 6881 1 17 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.488 -0.018 18864 6882 1 17 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.791 0.455 18864 6883 1 17 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.175 0.213 18864 6884 1 17 . 1 1 3 3 MET HA H 3 4.476 4.476 4.101 0.375 18864 6885 1 17 . 1 1 3 3 MET CA C 3 56.002 56.002 57.159 -1.157 18864 6886 1 17 . 1 1 3 3 MET CB C 3 32.025 32.025 32.302 -0.277 18864 6887 1 17 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.903 0.530 18864 6888 1 17 . 1 1 5 5 SER HA H 5 4.427 4.427 4.598 -0.171 18864 6889 1 17 . 1 1 5 5 SER CA C 5 58.631 58.631 57.131 1.500 18864 6890 1 17 . 1 1 5 5 SER CB C 5 64.117 64.117 63.679 0.438 18864 6891 1 17 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.012 0.413 18864 6892 1 17 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.186 -1.541 18864 6893 1 17 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.166 1.450 18864 6894 1 17 . 1 1 8 8 ASP N N 8 119.103 119.103 117.369 1.734 18864 6895 1 17 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.513 0.108 18864 6896 1 17 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.973 -0.803 18864 6897 1 17 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.209 0.166 18864 6898 1 17 . 1 1 8 8 ASP H H 8 8.353 8.353 8.375 -0.022 18864 6899 1 17 . 1 1 9 9 LYS N N 9 117.781 117.781 118.573 -0.792 18864 6900 1 17 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.535 0.431 18864 6901 1 17 . 1 1 9 9 LYS CA C 9 55.367 55.367 56.401 -1.034 18864 6902 1 17 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.627 2.453 18864 6903 1 17 . 1 1 9 9 LYS H H 9 7.858 7.858 8.063 -0.205 18864 6904 1 17 . 1 1 10 10 ILE N N 10 114.675 114.675 120.529 -5.854 18864 6905 1 17 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.979 0.535 18864 6906 1 17 . 1 1 10 10 ILE CA C 10 59.560 59.560 57.333 2.227 18864 6907 1 17 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.181 5.213 18864 6908 1 17 . 1 1 10 10 ILE H H 10 8.254 8.254 8.287 -0.033 18864 6909 1 17 . 1 1 11 11 LYS N N 11 121.626 121.626 127.960 -6.334 18864 6910 1 17 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.678 0.113 18864 6911 1 17 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.434 -2.523 18864 6912 1 17 . 1 1 11 11 LYS CB C 11 33.603 33.603 32.374 1.229 18864 6913 1 17 . 1 1 11 11 LYS H H 11 7.974 7.974 8.668 -0.694 18864 6914 1 17 . 1 1 12 12 CYS N N 12 118.054 118.054 123.995 -5.941 18864 6915 1 17 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.246 0.392 18864 6916 1 17 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.592 0.066 18864 6917 1 17 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.633 1.992 18864 6918 1 17 . 1 1 12 12 CYS H H 12 7.256 7.256 9.219 -1.963 18864 6919 1 17 . 1 1 13 13 SER N N 13 117.042 117.042 115.893 1.149 18864 6920 1 17 . 1 1 13 13 SER HA H 13 5.625 5.625 5.625 -0.000 18864 6921 1 17 . 1 1 13 13 SER CA C 13 56.017 56.017 57.235 -1.218 18864 6922 1 17 . 1 1 13 13 SER CB C 13 66.920 66.920 65.843 1.077 18864 6923 1 17 . 1 1 13 13 SER H H 13 9.186 9.186 8.968 0.218 18864 6924 1 17 . 1 1 14 14 HIS N N 14 119.162 119.162 121.454 -2.292 18864 6925 1 17 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.183 0.227 18864 6926 1 17 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.122 0.472 18864 6927 1 17 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.155 3.468 18864 6928 1 17 . 1 1 14 14 HIS H H 14 9.902 9.902 9.496 0.406 18864 6929 1 17 . 1 1 15 15 ILE N N 15 121.809 121.809 121.150 0.659 18864 6930 1 17 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.018 -0.581 18864 6931 1 17 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.914 1.962 18864 6932 1 17 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.320 0.473 18864 6933 1 17 . 1 1 15 15 ILE H H 15 8.913 8.913 8.996 -0.083 18864 6934 1 17 . 1 1 16 16 LEU N N 16 129.008 129.008 130.413 -1.405 18864 6935 1 17 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.005 0.013 18864 6936 1 17 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.504 -0.841 18864 6937 1 17 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.677 1.339 18864 6938 1 17 . 1 1 16 16 LEU H H 16 7.632 7.632 8.432 -0.800 18864 6939 1 17 . 1 1 17 17 VAL N N 17 117.991 117.991 122.837 -4.846 18864 6940 1 17 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.618 0.341 18864 6941 1 17 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.122 -0.281 18864 6942 1 17 . 1 1 17 17 VAL CB C 17 34.789 34.789 34.887 -0.098 18864 6943 1 17 . 1 1 17 17 VAL H H 17 9.025 9.025 9.107 -0.082 18864 6944 1 17 . 1 1 18 18 LYS N N 18 119.296 119.296 121.194 -1.898 18864 6945 1 17 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.123 0.278 18864 6946 1 17 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.132 0.241 18864 6947 1 17 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.916 1.394 18864 6948 1 17 . 1 1 18 18 LYS H H 18 8.781 8.781 9.160 -0.379 18864 6949 1 17 . 1 1 19 19 LYS N N 19 114.107 114.107 118.115 -4.008 18864 6950 1 17 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.387 0.448 18864 6951 1 17 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.418 0.307 18864 6952 1 17 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.788 1.016 18864 6953 1 17 . 1 1 19 19 LYS H H 19 8.023 8.023 7.770 0.253 18864 6954 1 17 . 1 1 20 20 GLN N N 20 125.662 125.662 122.972 2.690 18864 6955 1 17 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.828 1.026 18864 6956 1 17 . 1 1 20 20 GLN CA C 20 59.435 59.435 58.894 0.541 18864 6957 1 17 . 1 1 20 20 GLN CB C 20 27.969 27.969 27.878 0.091 18864 6958 1 17 . 1 1 20 20 GLN H H 20 8.795 8.795 8.677 0.118 18864 6959 1 17 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.697 0.300 18864 6960 1 17 . 1 1 22 22 GLU N N 22 119.712 119.712 122.641 -2.929 18864 6961 1 17 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.952 0.163 18864 6962 1 17 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.071 -0.949 18864 6963 1 17 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.406 0.310 18864 6964 1 17 . 1 1 22 22 GLU H H 22 6.765 6.765 7.526 -0.761 18864 6965 1 17 . 1 1 23 23 ALA N N 23 124.106 124.106 123.466 0.640 18864 6966 1 17 . 1 1 23 23 ALA HA H 23 3.768 3.768 4.073 -0.305 18864 6967 1 17 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.367 -0.462 18864 6968 1 17 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.247 -0.444 18864 6969 1 17 . 1 1 23 23 ALA H H 23 7.461 7.461 8.086 -0.625 18864 6970 1 17 . 1 1 24 24 LEU N N 24 118.772 118.772 119.833 -1.061 18864 6971 1 17 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.460 -0.281 18864 6972 1 17 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.480 0.357 18864 6973 1 17 . 1 1 24 24 LEU CB C 24 41.204 41.204 40.678 0.526 18864 6974 1 17 . 1 1 24 24 LEU H H 24 7.989 7.989 8.382 -0.393 18864 6975 1 17 . 1 1 25 25 ALA N N 25 121.590 121.590 122.259 -0.669 18864 6976 1 17 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.981 0.215 18864 6977 1 17 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.455 -0.259 18864 6978 1 17 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.266 -0.369 18864 6979 1 17 . 1 1 25 25 ALA H H 25 7.472 7.472 8.491 -1.019 18864 6980 1 17 . 1 1 26 26 VAL N N 26 118.603 118.603 115.366 3.237 18864 6981 1 17 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.467 -0.197 18864 6982 1 17 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.066 1.241 18864 6983 1 17 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.943 0.469 18864 6984 1 17 . 1 1 26 26 VAL H H 26 7.633 7.633 8.410 -0.777 18864 6985 1 17 . 1 1 27 27 GLN N N 27 117.799 117.799 120.286 -2.487 18864 6986 1 17 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.920 0.036 18864 6987 1 17 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.742 0.557 18864 6988 1 17 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.655 1.165 18864 6989 1 17 . 1 1 27 27 GLN H H 27 8.000 8.000 8.378 -0.378 18864 6990 1 17 . 1 1 28 28 GLU N N 28 118.775 118.775 118.722 0.053 18864 6991 1 17 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.089 -0.072 18864 6992 1 17 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.819 0.756 18864 6993 1 17 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.288 0.322 18864 6994 1 17 . 1 1 28 28 GLU H H 28 8.107 8.107 8.186 -0.079 18864 6995 1 17 . 1 1 29 29 ARG N N 29 121.360 121.360 119.885 1.475 18864 6996 1 17 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.096 0.030 18864 6997 1 17 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.947 1.127 18864 6998 1 17 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.328 1.053 18864 6999 1 17 . 1 1 29 29 ARG H H 29 8.084 8.084 8.086 -0.002 18864 7000 1 17 . 1 1 30 30 LEU N N 30 120.289 120.289 121.935 -1.646 18864 7001 1 17 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.200 0.135 18864 7002 1 17 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.648 0.024 18864 7003 1 17 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.172 0.568 18864 7004 1 17 . 1 1 30 30 LEU H H 30 8.379 8.379 8.760 -0.381 18864 7005 1 17 . 1 1 31 31 LYS N N 31 122.554 122.554 119.350 3.204 18864 7006 1 17 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.102 -0.049 18864 7007 1 17 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.565 0.864 18864 7008 1 17 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.922 0.397 18864 7009 1 17 . 1 1 31 31 LYS H H 31 8.280 8.280 8.179 0.101 18864 7010 1 17 . 1 1 32 32 ALA N N 32 119.271 119.271 120.425 -1.154 18864 7011 1 17 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.306 0.072 18864 7012 1 17 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.358 0.217 18864 7013 1 17 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.073 -0.252 18864 7014 1 17 . 1 1 32 32 ALA H H 32 7.557 7.557 7.874 -0.317 18864 7015 1 17 . 1 1 33 33 GLY N N 33 105.104 105.104 106.235 -1.131 18864 7016 1 17 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.745 0.000 18864 7017 1 17 . 1 1 33 33 GLY H H 33 7.758 7.758 8.229 -0.471 18864 7018 1 17 . 1 1 34 34 GLU N N 34 121.024 121.024 120.610 0.414 18864 7019 1 17 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.384 -0.105 18864 7020 1 17 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.261 1.911 18864 7021 1 17 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.697 0.039 18864 7022 1 17 . 1 1 34 34 GLU H H 34 7.871 7.871 7.679 0.192 18864 7023 1 17 . 1 1 35 35 LYS N N 35 121.214 121.214 120.525 0.689 18864 7024 1 17 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.381 -0.116 18864 7025 1 17 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.058 0.259 18864 7026 1 17 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.865 0.197 18864 7027 1 17 . 1 1 35 35 LYS H H 35 8.776 8.776 8.520 0.256 18864 7028 1 17 . 1 1 36 36 PHE N N 36 125.726 125.726 125.467 0.259 18864 7029 1 17 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.175 -0.532 18864 7030 1 17 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.277 0.553 18864 7031 1 17 . 1 1 36 36 PHE CB C 36 40.295 40.295 38.993 1.302 18864 7032 1 17 . 1 1 36 36 PHE H H 36 8.972 8.972 9.013 -0.041 18864 7033 1 17 . 1 1 37 37 GLY N N 37 103.959 103.959 106.586 -2.627 18864 7034 1 17 . 1 1 37 37 GLY CA C 37 47.345 47.345 46.944 0.401 18864 7035 1 17 . 1 1 37 37 GLY H H 37 9.123 9.123 8.641 0.482 18864 7036 1 17 . 1 1 38 38 LYS N N 38 120.432 120.432 122.707 -2.275 18864 7037 1 17 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.028 0.030 18864 7038 1 17 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.133 -0.104 18864 7039 1 17 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.338 0.317 18864 7040 1 17 . 1 1 38 38 LYS H H 38 6.683 6.683 8.084 -1.401 18864 7041 1 17 . 1 1 39 39 LEU N N 39 119.598 119.598 119.018 0.580 18864 7042 1 17 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.034 -0.127 18864 7043 1 17 . 1 1 39 39 LEU CA C 39 57.614 57.614 58.032 -0.418 18864 7044 1 17 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.631 1.113 18864 7045 1 17 . 1 1 39 39 LEU H H 39 7.754 7.754 8.202 -0.448 18864 7046 1 17 . 1 1 40 40 ALA N N 40 121.385 121.385 122.705 -1.320 18864 7047 1 17 . 1 1 40 40 ALA HA H 40 3.772 3.772 4.082 -0.310 18864 7048 1 17 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.978 0.897 18864 7049 1 17 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.756 -1.571 18864 7050 1 17 . 1 1 40 40 ALA H H 40 8.437 8.437 8.360 0.077 18864 7051 1 17 . 1 1 41 41 LYS N N 41 116.991 116.991 117.033 -0.042 18864 7052 1 17 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.298 -0.376 18864 7053 1 17 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.531 1.228 18864 7054 1 17 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.145 0.466 18864 7055 1 17 . 1 1 41 41 LYS H H 41 7.681 7.681 8.427 -0.746 18864 7056 1 17 . 1 1 42 42 GLU N N 42 117.121 117.121 119.301 -2.180 18864 7057 1 17 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.136 -0.108 18864 7058 1 17 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.443 0.618 18864 7059 1 17 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.159 1.336 18864 7060 1 17 . 1 1 42 42 GLU H H 42 7.796 7.796 7.920 -0.124 18864 7061 1 17 . 1 1 43 43 LEU N N 43 112.754 112.754 118.096 -5.342 18864 7062 1 17 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.348 0.191 18864 7063 1 17 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.523 -0.346 18864 7064 1 17 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.357 1.705 18864 7065 1 17 . 1 1 43 43 LEU H H 43 8.305 8.305 8.060 0.245 18864 7066 1 17 . 1 1 44 44 SER N N 44 110.514 110.514 114.366 -3.852 18864 7067 1 17 . 1 1 44 44 SER HA H 44 4.707 4.707 4.391 0.316 18864 7068 1 17 . 1 1 44 44 SER CA C 44 57.490 57.490 59.974 -2.484 18864 7069 1 17 . 1 1 44 44 SER CB C 44 65.461 65.461 63.065 2.396 18864 7070 1 17 . 1 1 44 44 SER H H 44 8.255 8.255 7.635 0.620 18864 7071 1 17 . 1 1 45 45 ILE N N 45 120.438 120.438 118.935 1.503 18864 7072 1 17 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.175 0.244 18864 7073 1 17 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.634 1.225 18864 7074 1 17 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.243 -1.114 18864 7075 1 17 . 1 1 45 45 ILE H H 45 9.238 9.238 8.063 1.175 18864 7076 1 17 . 1 1 46 46 ASP N N 46 120.068 120.068 120.661 -0.593 18864 7077 1 17 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.636 -0.258 18864 7078 1 17 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.829 -1.077 18864 7079 1 17 . 1 1 46 46 ASP CB C 46 40.416 40.416 41.599 -1.183 18864 7080 1 17 . 1 1 46 46 ASP H H 46 7.488 7.488 7.461 0.027 18864 7081 1 17 . 1 1 47 47 GLY N N 47 114.910 114.910 107.312 7.598 18864 7082 1 17 . 1 1 47 47 GLY CA C 47 47.318 47.318 45.246 2.071 18864 7083 1 17 . 1 1 47 47 GLY H H 47 8.562 8.562 8.703 -0.141 18864 7084 1 17 . 1 1 48 48 GLY N N 48 106.725 106.725 109.142 -2.417 18864 7085 1 17 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.691 -1.065 18864 7086 1 17 . 1 1 48 48 GLY H H 48 8.328 8.328 8.624 -0.296 18864 7087 1 17 . 1 1 49 49 SER N N 49 110.646 110.646 118.231 -7.585 18864 7088 1 17 . 1 1 49 49 SER HA H 49 4.560 4.560 4.081 0.479 18864 7089 1 17 . 1 1 49 49 SER CA C 49 59.559 59.559 61.403 -1.844 18864 7090 1 17 . 1 1 49 49 SER CB C 49 65.469 65.469 61.990 3.479 18864 7091 1 17 . 1 1 49 49 SER H H 49 7.255 7.255 7.884 -0.629 18864 7092 1 17 . 1 1 50 50 ALA N N 50 130.821 130.821 123.974 6.847 18864 7093 1 17 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.114 -0.288 18864 7094 1 17 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.069 1.800 18864 7095 1 17 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.648 0.737 18864 7096 1 17 . 1 1 50 50 ALA H H 50 8.571 8.571 8.387 0.184 18864 7097 1 17 . 1 1 51 51 LYS N N 51 110.700 110.700 114.683 -3.983 18864 7098 1 17 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.199 0.038 18864 7099 1 17 . 1 1 51 51 LYS CA C 51 57.587 57.587 57.416 0.171 18864 7100 1 17 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.271 -0.153 18864 7101 1 17 . 1 1 51 51 LYS H H 51 7.761 7.761 7.416 0.345 18864 7102 1 17 . 1 1 52 52 ARG N N 52 120.280 120.280 118.269 2.011 18864 7103 1 17 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.529 0.258 18864 7104 1 17 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.284 -1.082 18864 7105 1 17 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.065 -0.561 18864 7106 1 17 . 1 1 52 52 ARG H H 52 7.650 7.650 7.822 -0.172 18864 7107 1 17 . 1 1 53 53 ASP N N 53 117.809 117.809 118.468 -0.659 18864 7108 1 17 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.332 0.069 18864 7109 1 17 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.686 0.661 18864 7110 1 17 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.241 -0.619 18864 7111 1 17 . 1 1 53 53 ASP H H 53 8.157 8.157 8.015 0.142 18864 7112 1 17 . 1 1 54 54 GLY N N 54 104.041 104.041 104.245 -0.204 18864 7113 1 17 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.079 -0.451 18864 7114 1 17 . 1 1 54 54 GLY H H 54 8.279 8.279 9.068 -0.789 18864 7115 1 17 . 1 1 55 55 SER N N 55 113.436 113.436 118.515 -5.079 18864 7116 1 17 . 1 1 55 55 SER HA H 55 4.578 4.578 4.434 0.144 18864 7117 1 17 . 1 1 55 55 SER CA C 55 59.851 59.851 58.243 1.607 18864 7118 1 17 . 1 1 55 55 SER CB C 55 64.102 64.102 62.126 1.976 18864 7119 1 17 . 1 1 55 55 SER H H 55 7.524 7.524 8.373 -0.849 18864 7120 1 17 . 1 1 56 56 LEU N N 56 126.328 126.328 125.456 0.872 18864 7121 1 17 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.987 0.504 18864 7122 1 17 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.723 -2.585 18864 7123 1 17 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.007 1.253 18864 7124 1 17 . 1 1 56 56 LEU H H 56 8.818 8.818 8.316 0.502 18864 7125 1 17 . 1 1 57 57 GLY N N 57 107.077 107.077 103.876 3.201 18864 7126 1 17 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.498 0.696 18864 7127 1 17 . 1 1 57 57 GLY H H 57 8.072 8.072 7.883 0.189 18864 7128 1 17 . 1 1 58 58 TYR N N 58 115.734 115.734 119.598 -3.864 18864 7129 1 17 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.096 0.095 18864 7130 1 17 . 1 1 58 58 TYR CA C 58 57.850 57.850 56.101 1.749 18864 7131 1 17 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.976 1.698 18864 7132 1 17 . 1 1 58 58 TYR H H 58 8.348 8.348 7.240 1.108 18864 7133 1 17 . 1 1 59 59 PHE N N 59 118.174 118.174 117.673 0.501 18864 7134 1 17 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.962 0.075 18864 7135 1 17 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.439 -0.124 18864 7136 1 17 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.660 -0.070 18864 7137 1 17 . 1 1 59 59 PHE H H 59 9.136 9.136 8.137 0.999 18864 7138 1 17 . 1 1 60 60 GLY N N 60 106.839 106.839 107.599 -0.760 18864 7139 1 17 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.178 -0.017 18864 7140 1 17 . 1 1 60 60 GLY H H 60 8.594 8.594 8.676 -0.082 18864 7141 1 17 . 1 1 61 61 ARG N N 61 119.161 119.161 119.944 -0.783 18864 7142 1 17 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.286 -0.283 18864 7143 1 17 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.945 -0.526 18864 7144 1 17 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.317 -0.019 18864 7145 1 17 . 1 1 61 61 ARG H H 61 8.833 8.833 8.714 0.119 18864 7146 1 17 . 1 1 62 62 GLY N N 62 112.714 112.714 114.559 -1.845 18864 7147 1 17 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.194 0.307 18864 7148 1 17 . 1 1 62 62 GLY H H 62 10.418 10.418 10.083 0.335 18864 7149 1 17 . 1 1 63 63 LYS N N 63 120.687 120.687 120.604 0.083 18864 7150 1 17 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.105 0.281 18864 7151 1 17 . 1 1 63 63 LYS CA C 63 57.120 57.120 58.300 -1.180 18864 7152 1 17 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.796 2.066 18864 7153 1 17 . 1 1 63 63 LYS H H 63 7.706 7.706 7.824 -0.118 18864 7154 1 17 . 1 1 64 64 MET N N 64 117.704 117.704 116.515 1.189 18864 7155 1 17 . 1 1 64 64 MET HA H 64 4.608 4.608 4.276 0.332 18864 7156 1 17 . 1 1 64 64 MET CA C 64 51.959 51.959 53.186 -1.227 18864 7157 1 17 . 1 1 64 64 MET CB C 64 33.012 33.012 33.278 -0.266 18864 7158 1 17 . 1 1 64 64 MET H H 64 9.046 9.046 7.832 1.214 18864 7159 1 17 . 1 1 65 65 VAL N N 65 113.540 113.540 116.595 -3.055 18864 7160 1 17 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.250 -0.037 18864 7161 1 17 . 1 1 65 65 VAL CA C 65 62.340 62.340 61.851 0.489 18864 7162 1 17 . 1 1 65 65 VAL CB C 65 32.801 32.801 33.004 -0.203 18864 7163 1 17 . 1 1 65 65 VAL H H 65 8.043 8.043 7.916 0.127 18864 7164 1 17 . 1 1 66 66 LYS N N 66 124.592 124.592 126.314 -1.722 18864 7165 1 17 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.459 -0.256 18864 7166 1 17 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.145 0.277 18864 7167 1 17 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.864 0.569 18864 7168 1 17 . 1 1 66 66 LYS H H 66 8.877 8.877 8.999 -0.122 18864 7169 1 17 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.214 0.237 18864 7170 1 17 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.130 -0.081 18864 7171 1 17 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.439 -0.188 18864 7172 1 17 . 1 1 68 68 PHE N N 68 115.149 115.149 118.815 -3.666 18864 7173 1 17 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.002 -0.315 18864 7174 1 17 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.754 -0.998 18864 7175 1 17 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.834 1.348 18864 7176 1 17 . 1 1 68 68 PHE H H 68 6.997 6.997 7.687 -0.690 18864 7177 1 17 . 1 1 69 69 GLU N N 69 119.933 119.933 119.312 0.621 18864 7178 1 17 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.272 -0.276 18864 7179 1 17 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.100 0.864 18864 7180 1 17 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.593 1.332 18864 7181 1 17 . 1 1 69 69 GLU H H 69 8.562 8.562 8.658 -0.096 18864 7182 1 17 . 1 1 70 70 ASP N N 70 116.956 116.956 120.293 -3.337 18864 7183 1 17 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.433 -0.048 18864 7184 1 17 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.484 -0.311 18864 7185 1 17 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.747 -0.559 18864 7186 1 17 . 1 1 70 70 ASP H H 70 9.074 9.074 8.613 0.461 18864 7187 1 17 . 1 1 71 71 ALA N N 71 117.745 117.745 121.645 -3.900 18864 7188 1 17 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.970 0.202 18864 7189 1 17 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.080 -0.764 18864 7190 1 17 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.521 1.981 18864 7191 1 17 . 1 1 71 71 ALA H H 71 6.888 6.888 7.862 -0.974 18864 7192 1 17 . 1 1 72 72 ALA N N 72 120.783 120.783 121.914 -1.131 18864 7193 1 17 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.802 -0.056 18864 7194 1 17 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.891 0.502 18864 7195 1 17 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.662 0.422 18864 7196 1 17 . 1 1 72 72 ALA H H 72 8.860 8.860 8.115 0.745 18864 7197 1 17 . 1 1 73 73 PHE N N 73 110.353 110.353 115.669 -5.316 18864 7198 1 17 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.142 -0.121 18864 7199 1 17 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.920 -0.354 18864 7200 1 17 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.824 -0.497 18864 7201 1 17 . 1 1 73 73 PHE H H 73 8.275 8.275 8.323 -0.048 18864 7202 1 17 . 1 1 74 74 ARG N N 74 116.189 116.189 119.462 -3.273 18864 7203 1 17 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.144 0.330 18864 7204 1 17 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.191 -2.824 18864 7205 1 17 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.422 1.278 18864 7206 1 17 . 1 1 74 74 ARG H H 74 7.047 7.047 7.759 -0.712 18864 7207 1 17 . 1 1 75 75 LEU N N 75 119.425 119.425 118.813 0.612 18864 7208 1 17 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.503 -0.224 18864 7209 1 17 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.787 1.214 18864 7210 1 17 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.537 2.608 18864 7211 1 17 . 1 1 75 75 LEU H H 75 7.033 7.033 7.910 -0.877 18864 7212 1 17 . 1 1 76 76 GLN N N 76 121.205 121.205 119.388 1.817 18864 7213 1 17 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.912 0.495 18864 7214 1 17 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.839 -4.380 18864 7215 1 17 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.167 1.453 18864 7216 1 17 . 1 1 76 76 GLN H H 76 9.087 9.087 7.547 1.540 18864 7217 1 17 . 1 1 77 77 VAL N N 77 121.809 121.809 116.010 5.799 18864 7218 1 17 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.816 0.587 18864 7219 1 17 . 1 1 77 77 VAL CA C 77 67.583 67.583 63.980 3.603 18864 7220 1 17 . 1 1 77 77 VAL CB C 77 28.616 28.616 32.422 -3.806 18864 7221 1 17 . 1 1 77 77 VAL H H 77 8.901 8.901 7.587 1.315 18864 7222 1 17 . 1 1 78 78 GLY N N 78 117.559 117.559 105.094 12.465 18864 7223 1 17 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.580 0.553 18864 7224 1 17 . 1 1 78 78 GLY H H 78 9.049 9.049 8.191 0.858 18864 7225 1 17 . 1 1 79 79 GLU N N 79 122.304 122.304 120.735 1.569 18864 7226 1 17 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.415 -0.148 18864 7227 1 17 . 1 1 79 79 GLU CA C 79 56.547 56.547 55.924 0.623 18864 7228 1 17 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.003 1.288 18864 7229 1 17 . 1 1 79 79 GLU H H 79 8.093 8.093 8.054 0.039 18864 7230 1 17 . 1 1 80 80 VAL N N 80 122.253 122.253 124.866 -2.613 18864 7231 1 17 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.093 0.953 18864 7232 1 17 . 1 1 80 80 VAL CA C 80 60.322 60.322 63.170 -2.848 18864 7233 1 17 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.260 1.297 18864 7234 1 17 . 1 1 80 80 VAL H H 80 8.133 8.133 8.540 -0.407 18864 7235 1 17 . 1 1 81 81 SER N N 81 125.484 125.484 124.180 1.304 18864 7236 1 17 . 1 1 81 81 SER HA H 81 4.346 4.346 4.453 -0.107 18864 7237 1 17 . 1 1 81 81 SER CA C 81 59.316 59.316 57.943 1.373 18864 7238 1 17 . 1 1 81 81 SER CB C 81 65.988 65.988 63.973 2.015 18864 7239 1 17 . 1 1 81 81 SER H H 81 9.927 9.927 8.727 1.200 18864 7240 1 17 . 1 1 82 82 GLU N N 82 116.381 116.381 121.163 -4.782 18864 7241 1 17 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.511 0.112 18864 7242 1 17 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.952 0.699 18864 7243 1 17 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.992 -0.662 18864 7244 1 17 . 1 1 82 82 GLU H H 82 7.986 7.986 8.531 -0.545 18864 7245 1 17 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.452 0.281 18864 7246 1 17 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.677 0.005 18864 7247 1 17 . 1 1 83 83 PRO CB C 83 31.442 31.442 32.009 -0.567 18864 7248 1 17 . 1 1 84 84 VAL N N 84 127.594 127.594 124.944 2.650 18864 7249 1 17 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.339 0.022 18864 7250 1 17 . 1 1 84 84 VAL CA C 84 61.251 61.251 61.492 -0.241 18864 7251 1 17 . 1 1 84 84 VAL CB C 84 35.610 35.610 33.005 2.605 18864 7252 1 17 . 1 1 84 84 VAL H H 84 9.630 9.630 9.189 0.441 18864 7253 1 17 . 1 1 85 85 LYS N N 85 130.184 130.184 130.529 -0.345 18864 7254 1 17 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.003 0.277 18864 7255 1 17 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.218 -0.057 18864 7256 1 17 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.151 0.533 18864 7257 1 17 . 1 1 85 85 LYS H H 85 8.827 8.827 8.827 0.000 18864 7258 1 17 . 1 1 86 86 SER N N 86 125.071 125.071 121.638 3.433 18864 7259 1 17 . 1 1 86 86 SER HA H 86 4.925 4.925 4.769 0.156 18864 7260 1 17 . 1 1 86 86 SER CA C 86 56.939 56.939 56.807 0.132 18864 7261 1 17 . 1 1 86 86 SER CB C 86 67.836 67.836 66.504 1.332 18864 7262 1 17 . 1 1 86 86 SER H H 86 9.594 9.594 8.632 0.962 18864 7263 1 17 . 1 1 87 87 GLU N N 87 118.510 118.510 120.810 -2.300 18864 7264 1 17 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.085 0.035 18864 7265 1 17 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.935 -0.850 18864 7266 1 17 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.467 -0.087 18864 7267 1 17 . 1 1 87 87 GLU H H 87 9.615 9.615 9.039 0.576 18864 7268 1 17 . 1 1 88 88 PHE N N 88 118.385 118.385 115.847 2.538 18864 7269 1 17 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.367 0.172 18864 7270 1 17 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.628 -1.127 18864 7271 1 17 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.758 0.401 18864 7272 1 17 . 1 1 88 88 PHE H H 88 8.817 8.817 8.283 0.534 18864 7273 1 17 . 1 1 89 89 GLY N N 89 107.269 107.269 104.042 3.227 18864 7274 1 17 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.802 0.286 18864 7275 1 17 . 1 1 89 89 GLY H H 89 7.405 7.405 8.133 -0.728 18864 7276 1 17 . 1 1 90 90 TYR N N 90 119.181 119.181 121.547 -2.366 18864 7277 1 17 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.675 -0.595 18864 7278 1 17 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.160 0.176 18864 7279 1 17 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.621 1.208 18864 7280 1 17 . 1 1 90 90 TYR H H 90 9.119 9.119 7.886 1.233 18864 7281 1 17 . 1 1 91 91 HIS N N 91 120.399 120.399 121.434 -1.035 18864 7282 1 17 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.751 -0.194 18864 7283 1 17 . 1 1 91 91 HIS CA C 91 54.446 54.446 53.774 0.672 18864 7284 1 17 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.818 -2.521 18864 7285 1 17 . 1 1 91 91 HIS H H 91 9.879 9.879 9.519 0.360 18864 7286 1 17 . 1 1 92 92 VAL N N 92 122.606 122.606 121.304 1.302 18864 7287 1 17 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.404 -0.417 18864 7288 1 17 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.695 2.233 18864 7289 1 17 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.612 -0.390 18864 7290 1 17 . 1 1 92 92 VAL H H 92 9.102 9.102 9.103 -0.001 18864 7291 1 17 . 1 1 93 93 ILE N N 93 128.087 128.087 127.526 0.561 18864 7292 1 17 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.204 -0.425 18864 7293 1 17 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.890 1.046 18864 7294 1 17 . 1 1 93 93 ILE CB C 93 41.772 41.772 41.167 0.605 18864 7295 1 17 . 1 1 93 93 ILE H H 93 8.623 8.623 9.628 -1.005 18864 7296 1 17 . 1 1 94 94 LYS N N 94 125.877 125.877 126.443 -0.566 18864 7297 1 17 . 1 1 94 94 LYS HA H 94 5.311 5.311 4.771 0.540 18864 7298 1 17 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.688 0.545 18864 7299 1 17 . 1 1 94 94 LYS CB C 94 36.488 36.488 37.032 -0.545 18864 7300 1 17 . 1 1 94 94 LYS H H 94 8.881 8.881 8.688 0.193 18864 7301 1 17 . 1 1 95 95 ARG N N 95 126.274 126.274 123.760 2.514 18864 7302 1 17 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.274 0.749 18864 7303 1 17 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.600 -0.586 18864 7304 1 17 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.991 -1.234 18864 7305 1 17 . 1 1 95 95 ARG H H 95 7.955 7.955 8.474 -0.519 18864 7306 1 17 . 1 1 96 96 LEU N N 96 129.551 129.551 128.521 1.030 18864 7307 1 17 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.499 0.088 18864 7308 1 17 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.700 0.821 18864 7309 1 17 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.886 -0.502 18864 7310 1 17 . 1 1 96 96 LEU H H 96 9.017 9.017 8.831 0.186 18864 7311 1 18 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.439 0.031 18864 7312 1 18 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.614 0.632 18864 7313 1 18 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.319 0.069 18864 7314 1 18 . 1 1 3 3 MET HA H 3 4.476 4.476 4.390 0.086 18864 7315 1 18 . 1 1 3 3 MET CA C 3 56.002 56.002 56.942 -0.940 18864 7316 1 18 . 1 1 3 3 MET CB C 3 32.025 32.025 32.787 -0.762 18864 7317 1 18 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.001 0.432 18864 7318 1 18 . 1 1 5 5 SER HA H 5 4.427 4.427 4.588 -0.161 18864 7319 1 18 . 1 1 5 5 SER CA C 5 58.631 58.631 58.004 0.627 18864 7320 1 18 . 1 1 5 5 SER CB C 5 64.117 64.117 64.244 -0.127 18864 7321 1 18 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.249 0.176 18864 7322 1 18 . 1 1 7 7 ALA CA C 7 52.645 52.645 52.410 0.235 18864 7323 1 18 . 1 1 7 7 ALA CB C 7 19.616 19.616 16.941 2.675 18864 7324 1 18 . 1 1 8 8 ASP N N 8 119.103 119.103 120.266 -1.163 18864 7325 1 18 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.494 0.127 18864 7326 1 18 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.336 -1.166 18864 7327 1 18 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.050 0.325 18864 7328 1 18 . 1 1 8 8 ASP H H 8 8.353 8.353 8.645 -0.292 18864 7329 1 18 . 1 1 9 9 LYS N N 9 117.781 117.781 117.468 0.313 18864 7330 1 18 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.698 0.268 18864 7331 1 18 . 1 1 9 9 LYS CA C 9 55.367 55.367 54.239 1.128 18864 7332 1 18 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.292 1.788 18864 7333 1 18 . 1 1 9 9 LYS H H 9 7.858 7.858 7.308 0.550 18864 7334 1 18 . 1 1 10 10 ILE N N 10 114.675 114.675 121.472 -6.797 18864 7335 1 18 . 1 1 10 10 ILE HA H 10 4.514 4.514 3.974 0.540 18864 7336 1 18 . 1 1 10 10 ILE CA C 10 59.560 59.560 58.067 1.493 18864 7337 1 18 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.194 4.201 18864 7338 1 18 . 1 1 10 10 ILE H H 10 8.254 8.254 8.434 -0.180 18864 7339 1 18 . 1 1 11 11 LYS N N 11 121.626 121.626 127.771 -6.145 18864 7340 1 18 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.508 0.283 18864 7341 1 18 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.507 -2.596 18864 7342 1 18 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.876 1.727 18864 7343 1 18 . 1 1 11 11 LYS H H 11 7.974 7.974 8.638 -0.664 18864 7344 1 18 . 1 1 12 12 CYS N N 12 118.054 118.054 123.887 -5.833 18864 7345 1 18 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.278 0.360 18864 7346 1 18 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.717 -0.058 18864 7347 1 18 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.602 2.023 18864 7348 1 18 . 1 1 12 12 CYS H H 12 7.256 7.256 9.149 -1.893 18864 7349 1 18 . 1 1 13 13 SER N N 13 117.042 117.042 116.592 0.450 18864 7350 1 18 . 1 1 13 13 SER HA H 13 5.625 5.625 5.632 -0.007 18864 7351 1 18 . 1 1 13 13 SER CA C 13 56.017 56.017 57.066 -1.049 18864 7352 1 18 . 1 1 13 13 SER CB C 13 66.920 66.920 65.517 1.403 18864 7353 1 18 . 1 1 13 13 SER H H 13 9.186 9.186 8.936 0.250 18864 7354 1 18 . 1 1 14 14 HIS N N 14 119.162 119.162 120.637 -1.475 18864 7355 1 18 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.193 0.217 18864 7356 1 18 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.064 0.530 18864 7357 1 18 . 1 1 14 14 HIS CB C 14 37.623 37.623 33.993 3.630 18864 7358 1 18 . 1 1 14 14 HIS H H 14 9.902 9.902 9.367 0.535 18864 7359 1 18 . 1 1 15 15 ILE N N 15 121.809 121.809 121.496 0.313 18864 7360 1 18 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.091 -0.654 18864 7361 1 18 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.803 2.074 18864 7362 1 18 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.382 0.411 18864 7363 1 18 . 1 1 15 15 ILE H H 15 8.913 8.913 9.175 -0.262 18864 7364 1 18 . 1 1 16 16 LEU N N 16 129.008 129.008 130.054 -1.046 18864 7365 1 18 . 1 1 16 16 LEU HA H 16 5.018 5.018 4.810 0.208 18864 7366 1 18 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.754 -1.091 18864 7367 1 18 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.697 1.319 18864 7368 1 18 . 1 1 16 16 LEU H H 16 7.632 7.632 8.312 -0.680 18864 7369 1 18 . 1 1 17 17 VAL N N 17 117.991 117.991 120.854 -2.863 18864 7370 1 18 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.602 0.357 18864 7371 1 18 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.371 -0.530 18864 7372 1 18 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.290 -0.501 18864 7373 1 18 . 1 1 17 17 VAL H H 17 9.025 9.025 9.257 -0.232 18864 7374 1 18 . 1 1 18 18 LYS N N 18 119.296 119.296 119.122 0.174 18864 7375 1 18 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.364 0.037 18864 7376 1 18 . 1 1 18 18 LYS CA C 18 59.373 59.373 57.473 1.900 18864 7377 1 18 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.880 1.430 18864 7378 1 18 . 1 1 18 18 LYS H H 18 8.781 8.781 8.659 0.122 18864 7379 1 18 . 1 1 19 19 LYS N N 19 114.107 114.107 119.090 -4.983 18864 7380 1 18 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.453 0.382 18864 7381 1 18 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.329 0.396 18864 7382 1 18 . 1 1 19 19 LYS CB C 19 35.804 35.804 35.208 0.596 18864 7383 1 18 . 1 1 19 19 LYS H H 19 8.023 8.023 7.857 0.166 18864 7384 1 18 . 1 1 20 20 GLN N N 20 125.662 125.662 121.640 4.022 18864 7385 1 18 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.828 1.026 18864 7386 1 18 . 1 1 20 20 GLN CA C 20 59.435 59.435 60.295 -0.860 18864 7387 1 18 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.118 -0.149 18864 7388 1 18 . 1 1 20 20 GLN H H 20 8.795 8.795 8.577 0.218 18864 7389 1 18 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.956 0.041 18864 7390 1 18 . 1 1 22 22 GLU N N 22 119.712 119.712 122.149 -2.437 18864 7391 1 18 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.937 0.178 18864 7392 1 18 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.098 -0.976 18864 7393 1 18 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.209 0.507 18864 7394 1 18 . 1 1 22 22 GLU H H 22 6.765 6.765 7.912 -1.147 18864 7395 1 18 . 1 1 23 23 ALA N N 23 124.106 124.106 123.091 1.015 18864 7396 1 18 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.973 -0.205 18864 7397 1 18 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.384 -0.479 18864 7398 1 18 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.498 -0.695 18864 7399 1 18 . 1 1 23 23 ALA H H 23 7.461 7.461 7.861 -0.400 18864 7400 1 18 . 1 1 24 24 LEU N N 24 118.772 118.772 119.225 -0.453 18864 7401 1 18 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.184 -0.005 18864 7402 1 18 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.452 0.385 18864 7403 1 18 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.389 -0.185 18864 7404 1 18 . 1 1 24 24 LEU H H 24 7.989 7.989 8.654 -0.665 18864 7405 1 18 . 1 1 25 25 ALA N N 25 121.590 121.590 122.655 -1.065 18864 7406 1 18 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.986 0.210 18864 7407 1 18 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.198 -0.002 18864 7408 1 18 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.412 -0.515 18864 7409 1 18 . 1 1 25 25 ALA H H 25 7.472 7.472 8.370 -0.898 18864 7410 1 18 . 1 1 26 26 VAL N N 26 118.603 118.603 116.133 2.470 18864 7411 1 18 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.517 -0.247 18864 7412 1 18 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.243 1.065 18864 7413 1 18 . 1 1 26 26 VAL CB C 26 31.412 31.412 31.073 0.339 18864 7414 1 18 . 1 1 26 26 VAL H H 26 7.633 7.633 8.080 -0.447 18864 7415 1 18 . 1 1 27 27 GLN N N 27 117.799 117.799 119.867 -2.068 18864 7416 1 18 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.904 0.052 18864 7417 1 18 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.642 0.657 18864 7418 1 18 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.650 1.170 18864 7419 1 18 . 1 1 27 27 GLN H H 27 8.000 8.000 8.226 -0.226 18864 7420 1 18 . 1 1 28 28 GLU N N 28 118.775 118.775 119.302 -0.527 18864 7421 1 18 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.022 -0.005 18864 7422 1 18 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.939 0.636 18864 7423 1 18 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.557 0.053 18864 7424 1 18 . 1 1 28 28 GLU H H 28 8.107 8.107 8.707 -0.600 18864 7425 1 18 . 1 1 29 29 ARG N N 29 121.360 121.360 120.107 1.253 18864 7426 1 18 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.024 0.102 18864 7427 1 18 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.215 0.859 18864 7428 1 18 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.190 1.191 18864 7429 1 18 . 1 1 29 29 ARG H H 29 8.084 8.084 8.254 -0.170 18864 7430 1 18 . 1 1 30 30 LEU N N 30 120.289 120.289 120.939 -0.650 18864 7431 1 18 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.179 0.156 18864 7432 1 18 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.890 -0.218 18864 7433 1 18 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.135 0.605 18864 7434 1 18 . 1 1 30 30 LEU H H 30 8.379 8.379 8.647 -0.268 18864 7435 1 18 . 1 1 31 31 LYS N N 31 122.554 122.554 117.439 5.115 18864 7436 1 18 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.065 -0.012 18864 7437 1 18 . 1 1 31 31 LYS CA C 31 59.429 59.429 57.892 1.537 18864 7438 1 18 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.360 0.959 18864 7439 1 18 . 1 1 31 31 LYS H H 31 8.280 8.280 7.504 0.776 18864 7440 1 18 . 1 1 32 32 ALA N N 32 119.271 119.271 119.320 -0.049 18864 7441 1 18 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.201 0.177 18864 7442 1 18 . 1 1 32 32 ALA CA C 32 52.576 52.576 53.055 -0.479 18864 7443 1 18 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.383 -0.562 18864 7444 1 18 . 1 1 32 32 ALA H H 32 7.557 7.557 7.845 -0.288 18864 7445 1 18 . 1 1 33 33 GLY N N 33 105.104 105.104 105.465 -0.361 18864 7446 1 18 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.494 0.251 18864 7447 1 18 . 1 1 33 33 GLY H H 33 7.758 7.758 7.836 -0.078 18864 7448 1 18 . 1 1 34 34 GLU N N 34 121.024 121.024 120.421 0.603 18864 7449 1 18 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.425 -0.146 18864 7450 1 18 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.866 2.306 18864 7451 1 18 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.668 0.069 18864 7452 1 18 . 1 1 34 34 GLU H H 34 7.871 7.871 7.968 -0.097 18864 7453 1 18 . 1 1 35 35 LYS N N 35 121.214 121.214 120.608 0.606 18864 7454 1 18 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.376 -0.111 18864 7455 1 18 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.191 0.126 18864 7456 1 18 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.922 0.140 18864 7457 1 18 . 1 1 35 35 LYS H H 35 8.776 8.776 8.514 0.262 18864 7458 1 18 . 1 1 36 36 PHE N N 36 125.726 125.726 124.358 1.368 18864 7459 1 18 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.184 -0.541 18864 7460 1 18 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.419 0.411 18864 7461 1 18 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.302 0.993 18864 7462 1 18 . 1 1 36 36 PHE H H 36 8.972 8.972 9.038 -0.066 18864 7463 1 18 . 1 1 37 37 GLY N N 37 103.959 103.959 106.477 -2.518 18864 7464 1 18 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.018 0.327 18864 7465 1 18 . 1 1 37 37 GLY H H 37 9.123 9.123 8.896 0.227 18864 7466 1 18 . 1 1 38 38 LYS N N 38 120.432 120.432 122.667 -2.235 18864 7467 1 18 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.043 0.015 18864 7468 1 18 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.096 -0.067 18864 7469 1 18 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.334 0.321 18864 7470 1 18 . 1 1 38 38 LYS H H 38 6.683 6.683 8.027 -1.344 18864 7471 1 18 . 1 1 39 39 LEU N N 39 119.598 119.598 119.266 0.332 18864 7472 1 18 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.059 -0.152 18864 7473 1 18 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.697 -0.083 18864 7474 1 18 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.466 1.278 18864 7475 1 18 . 1 1 39 39 LEU H H 39 7.754 7.754 8.069 -0.315 18864 7476 1 18 . 1 1 40 40 ALA N N 40 121.385 121.385 122.849 -1.464 18864 7477 1 18 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.996 -0.224 18864 7478 1 18 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.894 0.981 18864 7479 1 18 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.367 -1.182 18864 7480 1 18 . 1 1 40 40 ALA H H 40 8.437 8.437 8.465 -0.028 18864 7481 1 18 . 1 1 41 41 LYS N N 41 116.991 116.991 117.810 -0.819 18864 7482 1 18 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.043 -0.121 18864 7483 1 18 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.929 0.830 18864 7484 1 18 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.304 0.307 18864 7485 1 18 . 1 1 41 41 LYS H H 41 7.681 7.681 8.356 -0.675 18864 7486 1 18 . 1 1 42 42 GLU N N 42 117.121 117.121 117.487 -0.366 18864 7487 1 18 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.143 -0.115 18864 7488 1 18 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.484 0.576 18864 7489 1 18 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.256 1.239 18864 7490 1 18 . 1 1 42 42 GLU H H 42 7.796 7.796 8.049 -0.253 18864 7491 1 18 . 1 1 43 43 LEU N N 43 112.754 112.754 118.018 -5.264 18864 7492 1 18 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.515 0.024 18864 7493 1 18 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.256 -0.079 18864 7494 1 18 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.429 1.633 18864 7495 1 18 . 1 1 43 43 LEU H H 43 8.305 8.305 8.261 0.044 18864 7496 1 18 . 1 1 44 44 SER N N 44 110.514 110.514 114.908 -4.394 18864 7497 1 18 . 1 1 44 44 SER HA H 44 4.707 4.707 4.436 0.271 18864 7498 1 18 . 1 1 44 44 SER CA C 44 57.490 57.490 59.800 -2.310 18864 7499 1 18 . 1 1 44 44 SER CB C 44 65.461 65.461 63.604 1.857 18864 7500 1 18 . 1 1 44 44 SER H H 44 8.255 8.255 7.541 0.714 18864 7501 1 18 . 1 1 45 45 ILE N N 45 120.438 120.438 116.529 3.909 18864 7502 1 18 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.198 0.221 18864 7503 1 18 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.793 1.066 18864 7504 1 18 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.157 -1.028 18864 7505 1 18 . 1 1 45 45 ILE H H 45 9.238 9.238 8.258 0.980 18864 7506 1 18 . 1 1 46 46 ASP N N 46 120.068 120.068 121.922 -1.854 18864 7507 1 18 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.689 -0.311 18864 7508 1 18 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.953 -0.201 18864 7509 1 18 . 1 1 46 46 ASP CB C 46 40.416 40.416 41.077 -0.661 18864 7510 1 18 . 1 1 46 46 ASP H H 46 7.488 7.488 7.644 -0.156 18864 7511 1 18 . 1 1 47 47 GLY N N 47 114.910 114.910 113.516 1.394 18864 7512 1 18 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.834 0.484 18864 7513 1 18 . 1 1 47 47 GLY H H 47 8.562 8.562 8.258 0.304 18864 7514 1 18 . 1 1 48 48 GLY N N 48 106.725 106.725 109.808 -3.083 18864 7515 1 18 . 1 1 48 48 GLY CA C 48 46.626 46.626 46.961 -0.335 18864 7516 1 18 . 1 1 48 48 GLY H H 48 8.328 8.328 8.085 0.243 18864 7517 1 18 . 1 1 49 49 SER N N 49 110.646 110.646 118.332 -7.686 18864 7518 1 18 . 1 1 49 49 SER HA H 49 4.560 4.560 4.241 0.319 18864 7519 1 18 . 1 1 49 49 SER CA C 49 59.559 59.559 61.950 -2.390 18864 7520 1 18 . 1 1 49 49 SER CB C 49 65.469 65.469 63.149 2.320 18864 7521 1 18 . 1 1 49 49 SER H H 49 7.255 7.255 8.532 -1.277 18864 7522 1 18 . 1 1 50 50 ALA N N 50 130.821 130.821 125.086 5.735 18864 7523 1 18 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.045 -0.219 18864 7524 1 18 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.873 1.997 18864 7525 1 18 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.041 1.343 18864 7526 1 18 . 1 1 50 50 ALA H H 50 8.571 8.571 7.936 0.635 18864 7527 1 18 . 1 1 51 51 LYS N N 51 110.700 110.700 119.434 -8.734 18864 7528 1 18 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.091 0.146 18864 7529 1 18 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.401 -0.814 18864 7530 1 18 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.288 -0.169 18864 7531 1 18 . 1 1 51 51 LYS H H 51 7.761 7.761 8.289 -0.528 18864 7532 1 18 . 1 1 52 52 ARG N N 52 120.280 120.280 118.138 2.142 18864 7533 1 18 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.578 0.209 18864 7534 1 18 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.323 -1.121 18864 7535 1 18 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.139 -0.635 18864 7536 1 18 . 1 1 52 52 ARG H H 52 7.650 7.650 7.530 0.119 18864 7537 1 18 . 1 1 53 53 ASP N N 53 117.809 117.809 116.206 1.603 18864 7538 1 18 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.289 0.112 18864 7539 1 18 . 1 1 53 53 ASP CA C 53 56.347 56.347 54.763 1.584 18864 7540 1 18 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.337 0.284 18864 7541 1 18 . 1 1 53 53 ASP H H 53 8.157 8.157 8.403 -0.246 18864 7542 1 18 . 1 1 54 54 GLY N N 54 104.041 104.041 105.918 -1.877 18864 7543 1 18 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.389 -0.761 18864 7544 1 18 . 1 1 54 54 GLY H H 54 8.279 8.279 9.182 -0.903 18864 7545 1 18 . 1 1 55 55 SER N N 55 113.436 113.436 118.837 -5.401 18864 7546 1 18 . 1 1 55 55 SER HA H 55 4.578 4.578 4.271 0.307 18864 7547 1 18 . 1 1 55 55 SER CA C 55 59.851 59.851 58.622 1.229 18864 7548 1 18 . 1 1 55 55 SER CB C 55 64.102 64.102 62.192 1.910 18864 7549 1 18 . 1 1 55 55 SER H H 55 7.524 7.524 8.048 -0.524 18864 7550 1 18 . 1 1 56 56 LEU N N 56 126.328 126.328 123.318 3.010 18864 7551 1 18 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.032 0.459 18864 7552 1 18 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.753 -2.615 18864 7553 1 18 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.224 1.036 18864 7554 1 18 . 1 1 56 56 LEU H H 56 8.818 8.818 8.617 0.201 18864 7555 1 18 . 1 1 57 57 GLY N N 57 107.077 107.077 103.843 3.234 18864 7556 1 18 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.538 0.657 18864 7557 1 18 . 1 1 57 57 GLY H H 57 8.072 8.072 8.077 -0.005 18864 7558 1 18 . 1 1 58 58 TYR N N 58 115.734 115.734 120.794 -5.060 18864 7559 1 18 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.802 0.389 18864 7560 1 18 . 1 1 58 58 TYR CA C 58 57.850 57.850 54.812 3.038 18864 7561 1 18 . 1 1 58 58 TYR CB C 58 40.674 40.674 36.254 4.420 18864 7562 1 18 . 1 1 58 58 TYR H H 58 8.348 8.348 7.702 0.646 18864 7563 1 18 . 1 1 59 59 PHE N N 59 118.174 118.174 120.768 -2.594 18864 7564 1 18 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.110 -0.073 18864 7565 1 18 . 1 1 59 59 PHE CA C 59 56.315 56.315 55.862 0.453 18864 7566 1 18 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.475 0.115 18864 7567 1 18 . 1 1 59 59 PHE H H 59 9.136 9.136 8.130 1.006 18864 7568 1 18 . 1 1 60 60 GLY N N 60 106.839 106.839 108.323 -1.484 18864 7569 1 18 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.721 -0.560 18864 7570 1 18 . 1 1 60 60 GLY H H 60 8.594 8.594 8.555 0.039 18864 7571 1 18 . 1 1 61 61 ARG N N 61 119.161 119.161 118.212 0.949 18864 7572 1 18 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.574 -0.571 18864 7573 1 18 . 1 1 61 61 ARG CA C 61 57.419 57.419 56.549 0.870 18864 7574 1 18 . 1 1 61 61 ARG CB C 61 30.298 30.298 31.609 -1.311 18864 7575 1 18 . 1 1 61 61 ARG H H 61 8.833 8.833 8.476 0.357 18864 7576 1 18 . 1 1 62 62 GLY N N 62 112.714 112.714 111.139 1.575 18864 7577 1 18 . 1 1 62 62 GLY CA C 62 45.501 45.501 46.806 -1.305 18864 7578 1 18 . 1 1 62 62 GLY H H 62 10.418 10.418 10.214 0.204 18864 7579 1 18 . 1 1 63 63 LYS N N 63 120.687 120.687 119.242 1.445 18864 7580 1 18 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.154 0.232 18864 7581 1 18 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.785 -0.665 18864 7582 1 18 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.478 2.384 18864 7583 1 18 . 1 1 63 63 LYS H H 63 7.706 7.706 8.531 -0.825 18864 7584 1 18 . 1 1 64 64 MET N N 64 117.704 117.704 116.451 1.253 18864 7585 1 18 . 1 1 64 64 MET HA H 64 4.608 4.608 4.436 0.172 18864 7586 1 18 . 1 1 64 64 MET CA C 64 51.959 51.959 53.153 -1.194 18864 7587 1 18 . 1 1 64 64 MET CB C 64 33.012 33.012 34.794 -1.782 18864 7588 1 18 . 1 1 64 64 MET H H 64 9.046 9.046 7.544 1.502 18864 7589 1 18 . 1 1 65 65 VAL N N 65 113.540 113.540 119.331 -5.791 18864 7590 1 18 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.060 0.153 18864 7591 1 18 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.715 -0.375 18864 7592 1 18 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.918 -0.117 18864 7593 1 18 . 1 1 65 65 VAL H H 65 8.043 8.043 8.031 0.012 18864 7594 1 18 . 1 1 66 66 LYS N N 66 124.592 124.592 124.617 -0.025 18864 7595 1 18 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.376 -0.173 18864 7596 1 18 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.293 0.129 18864 7597 1 18 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.297 0.136 18864 7598 1 18 . 1 1 66 66 LYS H H 66 8.877 8.877 8.938 -0.061 18864 7599 1 18 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.230 0.221 18864 7600 1 18 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.042 0.007 18864 7601 1 18 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.433 -0.182 18864 7602 1 18 . 1 1 68 68 PHE N N 68 115.149 115.149 118.920 -3.771 18864 7603 1 18 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.018 -0.331 18864 7604 1 18 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.838 -1.082 18864 7605 1 18 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.957 1.225 18864 7606 1 18 . 1 1 68 68 PHE H H 68 6.997 6.997 7.910 -0.913 18864 7607 1 18 . 1 1 69 69 GLU N N 69 119.933 119.933 119.262 0.671 18864 7608 1 18 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.151 -0.155 18864 7609 1 18 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.083 0.881 18864 7610 1 18 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.576 1.349 18864 7611 1 18 . 1 1 69 69 GLU H H 69 8.562 8.562 8.253 0.309 18864 7612 1 18 . 1 1 70 70 ASP N N 70 116.956 116.956 120.138 -3.182 18864 7613 1 18 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.494 -0.109 18864 7614 1 18 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.531 -0.358 18864 7615 1 18 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.724 -0.536 18864 7616 1 18 . 1 1 70 70 ASP H H 70 9.074 9.074 8.424 0.650 18864 7617 1 18 . 1 1 71 71 ALA N N 71 117.745 117.745 122.160 -4.415 18864 7618 1 18 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.887 0.285 18864 7619 1 18 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.440 -1.125 18864 7620 1 18 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.305 2.197 18864 7621 1 18 . 1 1 71 71 ALA H H 71 6.888 6.888 8.003 -1.115 18864 7622 1 18 . 1 1 72 72 ALA N N 72 120.783 120.783 121.736 -0.953 18864 7623 1 18 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.810 -0.064 18864 7624 1 18 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.884 0.509 18864 7625 1 18 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.619 0.465 18864 7626 1 18 . 1 1 72 72 ALA H H 72 8.860 8.860 7.832 1.028 18864 7627 1 18 . 1 1 73 73 PHE N N 73 110.353 110.353 116.610 -6.257 18864 7628 1 18 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.189 -0.168 18864 7629 1 18 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.757 -0.191 18864 7630 1 18 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.771 -0.444 18864 7631 1 18 . 1 1 73 73 PHE H H 73 8.275 8.275 8.420 -0.145 18864 7632 1 18 . 1 1 74 74 ARG N N 74 116.189 116.189 119.207 -3.018 18864 7633 1 18 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.096 0.378 18864 7634 1 18 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.386 -3.019 18864 7635 1 18 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.657 1.043 18864 7636 1 18 . 1 1 74 74 ARG H H 74 7.047 7.047 8.562 -1.515 18864 7637 1 18 . 1 1 75 75 LEU N N 75 119.425 119.425 118.895 0.530 18864 7638 1 18 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.577 -0.298 18864 7639 1 18 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.464 1.537 18864 7640 1 18 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.451 2.694 18864 7641 1 18 . 1 1 75 75 LEU H H 75 7.033 7.033 8.072 -1.039 18864 7642 1 18 . 1 1 76 76 GLN N N 76 121.205 121.205 120.667 0.538 18864 7643 1 18 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.897 0.510 18864 7644 1 18 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.067 -4.608 18864 7645 1 18 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.369 1.251 18864 7646 1 18 . 1 1 76 76 GLN H H 76 9.087 9.087 7.805 1.282 18864 7647 1 18 . 1 1 77 77 VAL N N 77 121.809 121.809 117.345 4.464 18864 7648 1 18 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.773 0.630 18864 7649 1 18 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.572 3.011 18864 7650 1 18 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.250 -2.634 18864 7651 1 18 . 1 1 77 77 VAL H H 77 8.901 8.901 8.167 0.734 18864 7652 1 18 . 1 1 78 78 GLY N N 78 117.559 117.559 106.288 11.271 18864 7653 1 18 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.734 0.399 18864 7654 1 18 . 1 1 78 78 GLY H H 78 9.049 9.049 8.110 0.939 18864 7655 1 18 . 1 1 79 79 GLU N N 79 122.304 122.304 120.280 2.024 18864 7656 1 18 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.458 -0.191 18864 7657 1 18 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.214 0.333 18864 7658 1 18 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.379 0.911 18864 7659 1 18 . 1 1 79 79 GLU H H 79 8.093 8.093 8.164 -0.071 18864 7660 1 18 . 1 1 80 80 VAL N N 80 122.253 122.253 120.244 2.009 18864 7661 1 18 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.193 0.853 18864 7662 1 18 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.852 -1.530 18864 7663 1 18 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.552 1.005 18864 7664 1 18 . 1 1 80 80 VAL H H 80 8.133 8.133 8.380 -0.247 18864 7665 1 18 . 1 1 81 81 SER N N 81 125.484 125.484 123.838 1.646 18864 7666 1 18 . 1 1 81 81 SER HA H 81 4.346 4.346 4.450 -0.104 18864 7667 1 18 . 1 1 81 81 SER CA C 81 59.316 59.316 58.091 1.225 18864 7668 1 18 . 1 1 81 81 SER CB C 81 65.988 65.988 63.840 2.148 18864 7669 1 18 . 1 1 81 81 SER H H 81 9.927 9.927 8.987 0.940 18864 7670 1 18 . 1 1 82 82 GLU N N 82 116.381 116.381 121.115 -4.734 18864 7671 1 18 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.533 0.090 18864 7672 1 18 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.834 -0.182 18864 7673 1 18 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.924 -0.594 18864 7674 1 18 . 1 1 82 82 GLU H H 82 7.986 7.986 8.569 -0.583 18864 7675 1 18 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.447 0.286 18864 7676 1 18 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.683 -0.001 18864 7677 1 18 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.842 -0.400 18864 7678 1 18 . 1 1 84 84 VAL N N 84 127.594 127.594 126.035 1.559 18864 7679 1 18 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.380 -0.019 18864 7680 1 18 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.950 0.301 18864 7681 1 18 . 1 1 84 84 VAL CB C 84 35.610 35.610 32.781 2.829 18864 7682 1 18 . 1 1 84 84 VAL H H 84 9.630 9.630 9.407 0.223 18864 7683 1 18 . 1 1 85 85 LYS N N 85 130.184 130.184 130.691 -0.507 18864 7684 1 18 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.198 0.082 18864 7685 1 18 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.562 -0.401 18864 7686 1 18 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.328 0.356 18864 7687 1 18 . 1 1 85 85 LYS H H 85 8.827 8.827 8.904 -0.077 18864 7688 1 18 . 1 1 86 86 SER N N 86 125.071 125.071 122.313 2.758 18864 7689 1 18 . 1 1 86 86 SER HA H 86 4.925 4.925 4.836 0.089 18864 7690 1 18 . 1 1 86 86 SER CA C 86 56.939 56.939 56.647 0.292 18864 7691 1 18 . 1 1 86 86 SER CB C 86 67.836 67.836 66.516 1.320 18864 7692 1 18 . 1 1 86 86 SER H H 86 9.594 9.594 8.792 0.802 18864 7693 1 18 . 1 1 87 87 GLU N N 87 118.510 118.510 119.587 -1.077 18864 7694 1 18 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.035 0.085 18864 7695 1 18 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.231 -0.146 18864 7696 1 18 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.241 0.139 18864 7697 1 18 . 1 1 87 87 GLU H H 87 9.615 9.615 8.991 0.624 18864 7698 1 18 . 1 1 88 88 PHE N N 88 118.385 118.385 119.484 -1.099 18864 7699 1 18 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.277 0.262 18864 7700 1 18 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.917 -1.417 18864 7701 1 18 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.827 0.332 18864 7702 1 18 . 1 1 88 88 PHE H H 88 8.817 8.817 7.637 1.180 18864 7703 1 18 . 1 1 89 89 GLY N N 89 107.269 107.269 103.498 3.771 18864 7704 1 18 . 1 1 89 89 GLY CA C 89 45.088 45.088 45.060 0.028 18864 7705 1 18 . 1 1 89 89 GLY H H 89 7.405 7.405 7.746 -0.341 18864 7706 1 18 . 1 1 90 90 TYR N N 90 119.181 119.181 120.392 -1.211 18864 7707 1 18 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.604 -0.524 18864 7708 1 18 . 1 1 90 90 TYR CA C 90 57.336 57.336 56.894 0.442 18864 7709 1 18 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.889 0.940 18864 7710 1 18 . 1 1 90 90 TYR H H 90 9.119 9.119 8.470 0.649 18864 7711 1 18 . 1 1 91 91 HIS N N 91 120.399 120.399 121.069 -0.670 18864 7712 1 18 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.613 -0.056 18864 7713 1 18 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.018 0.428 18864 7714 1 18 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.657 -2.360 18864 7715 1 18 . 1 1 91 91 HIS H H 91 9.879 9.879 9.712 0.167 18864 7716 1 18 . 1 1 92 92 VAL N N 92 122.606 122.606 121.623 0.983 18864 7717 1 18 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.377 -0.390 18864 7718 1 18 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.800 2.128 18864 7719 1 18 . 1 1 92 92 VAL CB C 92 33.222 33.222 34.008 -0.786 18864 7720 1 18 . 1 1 92 92 VAL H H 92 9.102 9.102 9.248 -0.146 18864 7721 1 18 . 1 1 93 93 ILE N N 93 128.087 128.087 127.744 0.343 18864 7722 1 18 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.262 -0.483 18864 7723 1 18 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.762 1.174 18864 7724 1 18 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.681 1.091 18864 7725 1 18 . 1 1 93 93 ILE H H 93 8.623 8.623 9.502 -0.879 18864 7726 1 18 . 1 1 94 94 LYS N N 94 125.877 125.877 128.031 -2.154 18864 7727 1 18 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.086 0.225 18864 7728 1 18 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.750 0.483 18864 7729 1 18 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.351 0.137 18864 7730 1 18 . 1 1 94 94 LYS H H 94 8.881 8.881 9.027 -0.146 18864 7731 1 18 . 1 1 95 95 ARG N N 95 126.274 126.274 124.289 1.985 18864 7732 1 18 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.145 0.878 18864 7733 1 18 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.722 -0.708 18864 7734 1 18 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.145 -1.389 18864 7735 1 18 . 1 1 95 95 ARG H H 95 7.955 7.955 7.917 0.038 18864 7736 1 18 . 1 1 96 96 LEU N N 96 129.551 129.551 126.649 2.902 18864 7737 1 18 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.460 0.127 18864 7738 1 18 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.454 1.067 18864 7739 1 18 . 1 1 96 96 LEU CB C 96 44.384 44.384 45.125 -0.741 18864 7740 1 18 . 1 1 96 96 LEU H H 96 9.017 9.017 8.707 0.310 18864 7741 1 19 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.425 0.045 18864 7742 1 19 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.725 0.521 18864 7743 1 19 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.395 -0.007 18864 7744 1 19 . 1 1 3 3 MET HA H 3 4.476 4.476 4.415 0.061 18864 7745 1 19 . 1 1 3 3 MET CA C 3 56.002 56.002 54.898 1.104 18864 7746 1 19 . 1 1 3 3 MET CB C 3 32.025 32.025 34.610 -2.585 18864 7747 1 19 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.501 -0.068 18864 7748 1 19 . 1 1 5 5 SER HA H 5 4.427 4.427 4.407 0.020 18864 7749 1 19 . 1 1 5 5 SER CA C 5 58.631 58.631 58.264 0.367 18864 7750 1 19 . 1 1 5 5 SER CB C 5 64.117 64.117 62.818 1.299 18864 7751 1 19 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.036 0.389 18864 7752 1 19 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.130 -1.485 18864 7753 1 19 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.280 1.336 18864 7754 1 19 . 1 1 8 8 ASP N N 8 119.103 119.103 118.325 0.778 18864 7755 1 19 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.463 0.158 18864 7756 1 19 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.473 -1.303 18864 7757 1 19 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.380 -0.005 18864 7758 1 19 . 1 1 8 8 ASP H H 8 8.353 8.353 8.538 -0.185 18864 7759 1 19 . 1 1 9 9 LYS N N 9 117.781 117.781 117.856 -0.075 18864 7760 1 19 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.427 0.539 18864 7761 1 19 . 1 1 9 9 LYS CA C 9 55.367 55.367 56.612 -1.245 18864 7762 1 19 . 1 1 9 9 LYS CB C 9 36.080 36.080 33.265 2.815 18864 7763 1 19 . 1 1 9 9 LYS H H 9 7.858 7.858 7.632 0.226 18864 7764 1 19 . 1 1 10 10 ILE N N 10 114.675 114.675 121.530 -6.855 18864 7765 1 19 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.129 0.385 18864 7766 1 19 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.837 -0.277 18864 7767 1 19 . 1 1 10 10 ILE CB C 10 42.395 42.395 39.146 3.249 18864 7768 1 19 . 1 1 10 10 ILE H H 10 8.254 8.254 8.456 -0.202 18864 7769 1 19 . 1 1 11 11 LYS N N 11 121.626 121.626 127.928 -6.302 18864 7770 1 19 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.832 -0.041 18864 7771 1 19 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.197 -2.286 18864 7772 1 19 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.984 1.619 18864 7773 1 19 . 1 1 11 11 LYS H H 11 7.974 7.974 8.739 -0.765 18864 7774 1 19 . 1 1 12 12 CYS N N 12 118.054 118.054 123.478 -5.424 18864 7775 1 19 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.367 0.271 18864 7776 1 19 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.251 0.407 18864 7777 1 19 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.200 2.425 18864 7778 1 19 . 1 1 12 12 CYS H H 12 7.256 7.256 9.541 -2.285 18864 7779 1 19 . 1 1 13 13 SER N N 13 117.042 117.042 115.602 1.440 18864 7780 1 19 . 1 1 13 13 SER HA H 13 5.625 5.625 5.780 -0.155 18864 7781 1 19 . 1 1 13 13 SER CA C 13 56.017 56.017 57.052 -1.035 18864 7782 1 19 . 1 1 13 13 SER CB C 13 66.920 66.920 66.364 0.556 18864 7783 1 19 . 1 1 13 13 SER H H 13 9.186 9.186 9.014 0.172 18864 7784 1 19 . 1 1 14 14 HIS N N 14 119.162 119.162 119.919 -0.757 18864 7785 1 19 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.240 0.170 18864 7786 1 19 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.095 0.499 18864 7787 1 19 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.307 3.316 18864 7788 1 19 . 1 1 14 14 HIS H H 14 9.902 9.902 9.273 0.629 18864 7789 1 19 . 1 1 15 15 ILE N N 15 121.809 121.809 121.002 0.807 18864 7790 1 19 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.176 -0.739 18864 7791 1 19 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.926 1.950 18864 7792 1 19 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.082 0.711 18864 7793 1 19 . 1 1 15 15 ILE H H 15 8.913 8.913 9.228 -0.315 18864 7794 1 19 . 1 1 16 16 LEU N N 16 129.008 129.008 129.982 -0.974 18864 7795 1 19 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.088 -0.070 18864 7796 1 19 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.483 -0.820 18864 7797 1 19 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.817 1.199 18864 7798 1 19 . 1 1 16 16 LEU H H 16 7.632 7.632 8.426 -0.794 18864 7799 1 19 . 1 1 17 17 VAL N N 17 117.991 117.991 120.861 -2.870 18864 7800 1 19 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.618 0.341 18864 7801 1 19 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.051 -0.210 18864 7802 1 19 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.594 -0.805 18864 7803 1 19 . 1 1 17 17 VAL H H 17 9.025 9.025 9.294 -0.269 18864 7804 1 19 . 1 1 18 18 LYS N N 18 119.296 119.296 120.219 -0.923 18864 7805 1 19 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.328 0.073 18864 7806 1 19 . 1 1 18 18 LYS CA C 18 59.373 59.373 57.894 1.479 18864 7807 1 19 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.546 1.764 18864 7808 1 19 . 1 1 18 18 LYS H H 18 8.781 8.781 8.506 0.275 18864 7809 1 19 . 1 1 19 19 LYS N N 19 114.107 114.107 120.849 -6.742 18864 7810 1 19 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.492 0.344 18864 7811 1 19 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.852 -0.128 18864 7812 1 19 . 1 1 19 19 LYS CB C 19 35.804 35.804 33.825 1.978 18864 7813 1 19 . 1 1 19 19 LYS H H 19 8.023 8.023 7.487 0.536 18864 7814 1 19 . 1 1 20 20 GLN N N 20 125.662 125.662 123.192 2.470 18864 7815 1 19 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.632 1.222 18864 7816 1 19 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.546 -0.111 18864 7817 1 19 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.142 -0.173 18864 7818 1 19 . 1 1 20 20 GLN H H 20 8.795 8.795 8.735 0.060 18864 7819 1 19 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.996 0.001 18864 7820 1 19 . 1 1 22 22 GLU N N 22 119.712 119.712 122.421 -2.709 18864 7821 1 19 . 1 1 22 22 GLU HA H 22 4.115 4.115 4.014 0.101 18864 7822 1 19 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.488 -1.366 18864 7823 1 19 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.388 0.328 18864 7824 1 19 . 1 1 22 22 GLU H H 22 6.765 6.765 8.344 -1.579 18864 7825 1 19 . 1 1 23 23 ALA N N 23 124.106 124.106 122.856 1.250 18864 7826 1 19 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.986 -0.218 18864 7827 1 19 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.340 -0.435 18864 7828 1 19 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.523 -0.720 18864 7829 1 19 . 1 1 23 23 ALA H H 23 7.461 7.461 7.944 -0.483 18864 7830 1 19 . 1 1 24 24 LEU N N 24 118.772 118.772 119.182 -0.410 18864 7831 1 19 . 1 1 24 24 LEU HA H 24 4.179 4.179 3.874 0.305 18864 7832 1 19 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.882 -0.045 18864 7833 1 19 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.616 -0.412 18864 7834 1 19 . 1 1 24 24 LEU H H 24 7.989 7.989 8.579 -0.590 18864 7835 1 19 . 1 1 25 25 ALA N N 25 121.590 121.590 122.185 -0.595 18864 7836 1 19 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.958 0.238 18864 7837 1 19 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.321 -0.124 18864 7838 1 19 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.305 -0.408 18864 7839 1 19 . 1 1 25 25 ALA H H 25 7.472 7.472 8.421 -0.949 18864 7840 1 19 . 1 1 26 26 VAL N N 26 118.603 118.603 116.360 2.243 18864 7841 1 19 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.582 -0.312 18864 7842 1 19 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.685 1.622 18864 7843 1 19 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.264 1.148 18864 7844 1 19 . 1 1 26 26 VAL H H 26 7.633 7.633 8.088 -0.455 18864 7845 1 19 . 1 1 27 27 GLN N N 27 117.799 117.799 121.296 -3.497 18864 7846 1 19 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.981 -0.025 18864 7847 1 19 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.276 1.023 18864 7848 1 19 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.316 1.504 18864 7849 1 19 . 1 1 27 27 GLN H H 27 8.000 8.000 8.322 -0.322 18864 7850 1 19 . 1 1 28 28 GLU N N 28 118.775 118.775 119.081 -0.306 18864 7851 1 19 . 1 1 28 28 GLU HA H 28 4.017 4.017 3.999 0.018 18864 7852 1 19 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.815 0.760 18864 7853 1 19 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.662 -0.052 18864 7854 1 19 . 1 1 28 28 GLU H H 28 8.107 8.107 8.320 -0.213 18864 7855 1 19 . 1 1 29 29 ARG N N 29 121.360 121.360 120.012 1.348 18864 7856 1 19 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.125 0.001 18864 7857 1 19 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.384 1.690 18864 7858 1 19 . 1 1 29 29 ARG CB C 29 31.381 31.381 29.826 1.555 18864 7859 1 19 . 1 1 29 29 ARG H H 29 8.084 8.084 8.193 -0.109 18864 7860 1 19 . 1 1 30 30 LEU N N 30 120.289 120.289 120.683 -0.394 18864 7861 1 19 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.204 0.131 18864 7862 1 19 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.044 -0.372 18864 7863 1 19 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.111 0.629 18864 7864 1 19 . 1 1 30 30 LEU H H 30 8.379 8.379 8.886 -0.507 18864 7865 1 19 . 1 1 31 31 LYS N N 31 122.554 122.554 118.634 3.920 18864 7866 1 19 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.131 -0.078 18864 7867 1 19 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.040 1.389 18864 7868 1 19 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.235 1.084 18864 7869 1 19 . 1 1 31 31 LYS H H 31 8.280 8.280 7.636 0.644 18864 7870 1 19 . 1 1 32 32 ALA N N 32 119.271 119.271 120.382 -1.111 18864 7871 1 19 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.310 0.068 18864 7872 1 19 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.275 0.301 18864 7873 1 19 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.024 -0.203 18864 7874 1 19 . 1 1 32 32 ALA H H 32 7.557 7.557 7.754 -0.197 18864 7875 1 19 . 1 1 33 33 GLY N N 33 105.104 105.104 106.353 -1.249 18864 7876 1 19 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.850 -0.105 18864 7877 1 19 . 1 1 33 33 GLY H H 33 7.758 7.758 8.193 -0.435 18864 7878 1 19 . 1 1 34 34 GLU N N 34 121.024 121.024 120.487 0.537 18864 7879 1 19 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.416 -0.137 18864 7880 1 19 . 1 1 34 34 GLU CA C 34 58.172 58.172 55.529 2.643 18864 7881 1 19 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.845 -0.109 18864 7882 1 19 . 1 1 34 34 GLU H H 34 7.871 7.871 7.651 0.220 18864 7883 1 19 . 1 1 35 35 LYS N N 35 121.214 121.214 122.072 -0.858 18864 7884 1 19 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.309 -0.044 18864 7885 1 19 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.761 -0.444 18864 7886 1 19 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.120 -0.058 18864 7887 1 19 . 1 1 35 35 LYS H H 35 8.776 8.776 8.608 0.168 18864 7888 1 19 . 1 1 36 36 PHE N N 36 125.726 125.726 126.000 -0.274 18864 7889 1 19 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.233 -0.590 18864 7890 1 19 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.097 0.733 18864 7891 1 19 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.367 0.928 18864 7892 1 19 . 1 1 36 36 PHE H H 36 8.972 8.972 9.072 -0.100 18864 7893 1 19 . 1 1 37 37 GLY N N 37 103.959 103.959 106.191 -2.232 18864 7894 1 19 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.281 0.064 18864 7895 1 19 . 1 1 37 37 GLY H H 37 9.123 9.123 9.015 0.108 18864 7896 1 19 . 1 1 38 38 LYS N N 38 120.432 120.432 122.452 -2.020 18864 7897 1 19 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.037 0.021 18864 7898 1 19 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.124 -0.095 18864 7899 1 19 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.317 0.338 18864 7900 1 19 . 1 1 38 38 LYS H H 38 6.683 6.683 7.293 -0.610 18864 7901 1 19 . 1 1 39 39 LEU N N 39 119.598 119.598 119.417 0.181 18864 7902 1 19 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.957 -0.050 18864 7903 1 19 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.427 0.187 18864 7904 1 19 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.489 1.256 18864 7905 1 19 . 1 1 39 39 LEU H H 39 7.754 7.754 7.896 -0.142 18864 7906 1 19 . 1 1 40 40 ALA N N 40 121.385 121.385 122.630 -1.245 18864 7907 1 19 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.933 -0.161 18864 7908 1 19 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.813 1.062 18864 7909 1 19 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.451 -1.266 18864 7910 1 19 . 1 1 40 40 ALA H H 40 8.437 8.437 8.378 0.059 18864 7911 1 19 . 1 1 41 41 LYS N N 41 116.991 116.991 116.700 0.291 18864 7912 1 19 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.017 -0.095 18864 7913 1 19 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.213 0.546 18864 7914 1 19 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.466 0.145 18864 7915 1 19 . 1 1 41 41 LYS H H 41 7.681 7.681 8.391 -0.710 18864 7916 1 19 . 1 1 42 42 GLU N N 42 117.121 117.121 118.434 -1.313 18864 7917 1 19 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.187 -0.159 18864 7918 1 19 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.484 0.576 18864 7919 1 19 . 1 1 42 42 GLU CB C 42 31.495 31.495 29.940 1.555 18864 7920 1 19 . 1 1 42 42 GLU H H 42 7.796 7.796 7.893 -0.097 18864 7921 1 19 . 1 1 43 43 LEU N N 43 112.754 112.754 118.345 -5.591 18864 7922 1 19 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.145 0.394 18864 7923 1 19 . 1 1 43 43 LEU CA C 43 55.177 55.177 56.798 -1.621 18864 7924 1 19 . 1 1 43 43 LEU CB C 43 45.062 45.062 42.535 2.527 18864 7925 1 19 . 1 1 43 43 LEU H H 43 8.305 8.305 7.754 0.551 18864 7926 1 19 . 1 1 44 44 SER N N 44 110.514 110.514 112.503 -1.989 18864 7927 1 19 . 1 1 44 44 SER HA H 44 4.707 4.707 4.482 0.225 18864 7928 1 19 . 1 1 44 44 SER CA C 44 57.490 57.490 59.678 -2.188 18864 7929 1 19 . 1 1 44 44 SER CB C 44 65.461 65.461 63.767 1.694 18864 7930 1 19 . 1 1 44 44 SER H H 44 8.255 8.255 7.346 0.909 18864 7931 1 19 . 1 1 45 45 ILE N N 45 120.438 120.438 115.345 5.093 18864 7932 1 19 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.294 0.125 18864 7933 1 19 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.653 1.206 18864 7934 1 19 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.314 -1.185 18864 7935 1 19 . 1 1 45 45 ILE H H 45 9.238 9.238 8.783 0.455 18864 7936 1 19 . 1 1 46 46 ASP N N 46 120.068 120.068 122.876 -2.808 18864 7937 1 19 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.704 -0.326 18864 7938 1 19 . 1 1 46 46 ASP CA C 46 52.752 52.752 52.949 -0.197 18864 7939 1 19 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.662 -0.246 18864 7940 1 19 . 1 1 46 46 ASP H H 46 7.488 7.488 7.572 -0.084 18864 7941 1 19 . 1 1 47 47 GLY N N 47 114.910 114.910 113.748 1.162 18864 7942 1 19 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.051 0.267 18864 7943 1 19 . 1 1 47 47 GLY H H 47 8.562 8.562 8.082 0.480 18864 7944 1 19 . 1 1 48 48 GLY N N 48 106.725 106.725 110.075 -3.350 18864 7945 1 19 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.197 -0.571 18864 7946 1 19 . 1 1 48 48 GLY H H 48 8.328 8.328 8.296 0.032 18864 7947 1 19 . 1 1 49 49 SER N N 49 110.646 110.646 119.300 -8.654 18864 7948 1 19 . 1 1 49 49 SER HA H 49 4.560 4.560 4.341 0.219 18864 7949 1 19 . 1 1 49 49 SER CA C 49 59.559 59.559 61.956 -2.397 18864 7950 1 19 . 1 1 49 49 SER CB C 49 65.469 65.469 63.247 2.222 18864 7951 1 19 . 1 1 49 49 SER H H 49 7.255 7.255 8.628 -1.373 18864 7952 1 19 . 1 1 50 50 ALA N N 50 130.821 130.821 126.140 4.681 18864 7953 1 19 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.061 -0.235 18864 7954 1 19 . 1 1 50 50 ALA CA C 50 56.870 56.870 55.015 1.855 18864 7955 1 19 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.228 1.157 18864 7956 1 19 . 1 1 50 50 ALA H H 50 8.571 8.571 8.508 0.063 18864 7957 1 19 . 1 1 51 51 LYS N N 51 110.700 110.700 117.885 -7.185 18864 7958 1 19 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.066 0.171 18864 7959 1 19 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.420 -0.833 18864 7960 1 19 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.330 -0.212 18864 7961 1 19 . 1 1 51 51 LYS H H 51 7.761 7.761 8.761 -1.000 18864 7962 1 19 . 1 1 52 52 ARG N N 52 120.280 120.280 117.407 2.873 18864 7963 1 19 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.374 0.413 18864 7964 1 19 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.601 -1.399 18864 7965 1 19 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.069 -0.565 18864 7966 1 19 . 1 1 52 52 ARG H H 52 7.650 7.650 7.467 0.183 18864 7967 1 19 . 1 1 53 53 ASP N N 53 117.809 117.809 118.951 -1.142 18864 7968 1 19 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.312 0.089 18864 7969 1 19 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.070 1.277 18864 7970 1 19 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.870 -0.248 18864 7971 1 19 . 1 1 53 53 ASP H H 53 8.157 8.157 8.243 -0.086 18864 7972 1 19 . 1 1 54 54 GLY N N 54 104.041 104.041 105.999 -1.958 18864 7973 1 19 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.118 -0.491 18864 7974 1 19 . 1 1 54 54 GLY H H 54 8.279 8.279 9.140 -0.861 18864 7975 1 19 . 1 1 55 55 SER N N 55 113.436 113.436 118.625 -5.189 18864 7976 1 19 . 1 1 55 55 SER HA H 55 4.578 4.578 4.352 0.226 18864 7977 1 19 . 1 1 55 55 SER CA C 55 59.851 59.851 58.907 0.944 18864 7978 1 19 . 1 1 55 55 SER CB C 55 64.102 64.102 62.385 1.717 18864 7979 1 19 . 1 1 55 55 SER H H 55 7.524 7.524 8.347 -0.823 18864 7980 1 19 . 1 1 56 56 LEU N N 56 126.328 126.328 123.583 2.745 18864 7981 1 19 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.964 0.527 18864 7982 1 19 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.546 -2.408 18864 7983 1 19 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.069 1.191 18864 7984 1 19 . 1 1 56 56 LEU H H 56 8.818 8.818 8.470 0.348 18864 7985 1 19 . 1 1 57 57 GLY N N 57 107.077 107.077 103.620 3.457 18864 7986 1 19 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.578 0.617 18864 7987 1 19 . 1 1 57 57 GLY H H 57 8.072 8.072 8.004 0.068 18864 7988 1 19 . 1 1 58 58 TYR N N 58 115.734 115.734 120.156 -4.422 18864 7989 1 19 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.270 -0.079 18864 7990 1 19 . 1 1 58 58 TYR CA C 58 57.850 57.850 54.554 3.296 18864 7991 1 19 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.675 2.000 18864 7992 1 19 . 1 1 58 58 TYR H H 58 8.348 8.348 7.505 0.843 18864 7993 1 19 . 1 1 59 59 PHE N N 59 118.174 118.174 117.815 0.359 18864 7994 1 19 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.034 0.003 18864 7995 1 19 . 1 1 59 59 PHE CA C 59 56.315 56.315 55.895 0.420 18864 7996 1 19 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.615 -0.025 18864 7997 1 19 . 1 1 59 59 PHE H H 59 9.136 9.136 8.121 1.015 18864 7998 1 19 . 1 1 60 60 GLY N N 60 106.839 106.839 108.052 -1.213 18864 7999 1 19 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.804 -0.643 18864 8000 1 19 . 1 1 60 60 GLY H H 60 8.594 8.594 8.544 0.050 18864 8001 1 19 . 1 1 61 61 ARG N N 61 119.161 119.161 120.423 -1.262 18864 8002 1 19 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.285 -0.282 18864 8003 1 19 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.607 -0.188 18864 8004 1 19 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.462 -0.164 18864 8005 1 19 . 1 1 61 61 ARG H H 61 8.833 8.833 8.610 0.223 18864 8006 1 19 . 1 1 62 62 GLY N N 62 112.714 112.714 113.536 -0.822 18864 8007 1 19 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.852 -0.351 18864 8008 1 19 . 1 1 62 62 GLY H H 62 10.418 10.418 10.410 0.008 18864 8009 1 19 . 1 1 63 63 LYS N N 63 120.687 120.687 123.318 -2.631 18864 8010 1 19 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.187 0.199 18864 8011 1 19 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.935 -0.816 18864 8012 1 19 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.603 2.259 18864 8013 1 19 . 1 1 63 63 LYS H H 63 7.706 7.706 7.744 -0.038 18864 8014 1 19 . 1 1 64 64 MET N N 64 117.704 117.704 117.571 0.133 18864 8015 1 19 . 1 1 64 64 MET HA H 64 4.608 4.608 4.175 0.433 18864 8016 1 19 . 1 1 64 64 MET CA C 64 51.959 51.959 52.759 -0.800 18864 8017 1 19 . 1 1 64 64 MET CB C 64 33.012 33.012 32.365 0.647 18864 8018 1 19 . 1 1 64 64 MET H H 64 9.046 9.046 7.991 1.055 18864 8019 1 19 . 1 1 65 65 VAL N N 65 113.540 113.540 116.896 -3.356 18864 8020 1 19 . 1 1 65 65 VAL HA H 65 4.213 4.213 3.988 0.225 18864 8021 1 19 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.801 -0.461 18864 8022 1 19 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.617 0.184 18864 8023 1 19 . 1 1 65 65 VAL H H 65 8.043 8.043 7.929 0.114 18864 8024 1 19 . 1 1 66 66 LYS N N 66 124.592 124.592 127.187 -2.595 18864 8025 1 19 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.301 -0.098 18864 8026 1 19 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.351 0.071 18864 8027 1 19 . 1 1 66 66 LYS CB C 66 30.433 30.433 29.924 0.509 18864 8028 1 19 . 1 1 66 66 LYS H H 66 8.877 8.877 8.907 -0.030 18864 8029 1 19 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.200 0.251 18864 8030 1 19 . 1 1 67 67 PRO CA C 67 66.049 66.049 66.009 0.040 18864 8031 1 19 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.429 -0.178 18864 8032 1 19 . 1 1 68 68 PHE N N 68 115.149 115.149 118.960 -3.811 18864 8033 1 19 . 1 1 68 68 PHE HA H 68 3.687 3.687 3.913 -0.227 18864 8034 1 19 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.701 -0.945 18864 8035 1 19 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.819 1.363 18864 8036 1 19 . 1 1 68 68 PHE H H 68 6.997 6.997 7.847 -0.850 18864 8037 1 19 . 1 1 69 69 GLU N N 69 119.933 119.933 119.028 0.905 18864 8038 1 19 . 1 1 69 69 GLU HA H 69 3.996 3.996 3.511 0.485 18864 8039 1 19 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.420 1.544 18864 8040 1 19 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.082 1.843 18864 8041 1 19 . 1 1 69 69 GLU H H 69 8.562 8.562 8.202 0.360 18864 8042 1 19 . 1 1 70 70 ASP N N 70 116.956 116.956 120.352 -3.396 18864 8043 1 19 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.466 -0.081 18864 8044 1 19 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.343 -0.170 18864 8045 1 19 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.709 -0.521 18864 8046 1 19 . 1 1 70 70 ASP H H 70 9.074 9.074 8.370 0.704 18864 8047 1 19 . 1 1 71 71 ALA N N 71 117.745 117.745 121.283 -3.538 18864 8048 1 19 . 1 1 71 71 ALA HA H 71 4.172 4.172 3.967 0.205 18864 8049 1 19 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.863 -0.548 18864 8050 1 19 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.566 1.936 18864 8051 1 19 . 1 1 71 71 ALA H H 71 6.888 6.888 7.816 -0.928 18864 8052 1 19 . 1 1 72 72 ALA N N 72 120.783 120.783 121.484 -0.701 18864 8053 1 19 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.793 -0.047 18864 8054 1 19 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.606 0.787 18864 8055 1 19 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.504 0.580 18864 8056 1 19 . 1 1 72 72 ALA H H 72 8.860 8.860 7.854 1.006 18864 8057 1 19 . 1 1 73 73 PHE N N 73 110.353 110.353 115.148 -4.795 18864 8058 1 19 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.170 -0.149 18864 8059 1 19 . 1 1 73 73 PHE CA C 73 61.566 61.566 60.614 0.952 18864 8060 1 19 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.431 -0.104 18864 8061 1 19 . 1 1 73 73 PHE H H 73 8.275 8.275 7.964 0.311 18864 8062 1 19 . 1 1 74 74 ARG N N 74 116.189 116.189 119.234 -3.045 18864 8063 1 19 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.147 0.327 18864 8064 1 19 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.083 -2.716 18864 8065 1 19 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.432 1.268 18864 8066 1 19 . 1 1 74 74 ARG H H 74 7.047 7.047 7.595 -0.548 18864 8067 1 19 . 1 1 75 75 LEU N N 75 119.425 119.425 115.969 3.456 18864 8068 1 19 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.724 -0.445 18864 8069 1 19 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.367 1.634 18864 8070 1 19 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.787 2.358 18864 8071 1 19 . 1 1 75 75 LEU H H 75 7.033 7.033 7.489 -0.456 18864 8072 1 19 . 1 1 76 76 GLN N N 76 121.205 121.205 120.550 0.655 18864 8073 1 19 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.972 0.435 18864 8074 1 19 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.923 -4.464 18864 8075 1 19 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.256 1.364 18864 8076 1 19 . 1 1 76 76 GLN H H 76 9.087 9.087 7.925 1.162 18864 8077 1 19 . 1 1 77 77 VAL N N 77 121.809 121.809 117.517 4.292 18864 8078 1 19 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.763 0.640 18864 8079 1 19 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.529 3.054 18864 8080 1 19 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.272 -2.656 18864 8081 1 19 . 1 1 77 77 VAL H H 77 8.901 8.901 8.171 0.730 18864 8082 1 19 . 1 1 78 78 GLY N N 78 117.559 117.559 106.692 10.867 18864 8083 1 19 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.721 0.412 18864 8084 1 19 . 1 1 78 78 GLY H H 78 9.049 9.049 8.108 0.941 18864 8085 1 19 . 1 1 79 79 GLU N N 79 122.304 122.304 120.727 1.577 18864 8086 1 19 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.269 -0.002 18864 8087 1 19 . 1 1 79 79 GLU CA C 79 56.547 56.547 56.188 0.359 18864 8088 1 19 . 1 1 79 79 GLU CB C 79 32.290 32.290 30.720 1.570 18864 8089 1 19 . 1 1 79 79 GLU H H 79 8.093 8.093 7.820 0.273 18864 8090 1 19 . 1 1 80 80 VAL N N 80 122.253 122.253 121.158 1.095 18864 8091 1 19 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.419 0.627 18864 8092 1 19 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.810 -1.488 18864 8093 1 19 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.063 1.494 18864 8094 1 19 . 1 1 80 80 VAL H H 80 8.133 8.133 8.480 -0.347 18864 8095 1 19 . 1 1 81 81 SER N N 81 125.484 125.484 123.788 1.696 18864 8096 1 19 . 1 1 81 81 SER HA H 81 4.346 4.346 4.408 -0.062 18864 8097 1 19 . 1 1 81 81 SER CA C 81 59.316 59.316 58.075 1.241 18864 8098 1 19 . 1 1 81 81 SER CB C 81 65.988 65.988 63.979 2.009 18864 8099 1 19 . 1 1 81 81 SER H H 81 9.927 9.927 9.060 0.867 18864 8100 1 19 . 1 1 82 82 GLU N N 82 116.381 116.381 120.310 -3.929 18864 8101 1 19 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.460 0.163 18864 8102 1 19 . 1 1 82 82 GLU CA C 82 55.651 55.651 54.971 0.680 18864 8103 1 19 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.865 -0.535 18864 8104 1 19 . 1 1 82 82 GLU H H 82 7.986 7.986 8.511 -0.525 18864 8105 1 19 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.464 0.269 18864 8106 1 19 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.758 -0.076 18864 8107 1 19 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.913 -0.471 18864 8108 1 19 . 1 1 84 84 VAL N N 84 127.594 127.594 125.258 2.336 18864 8109 1 19 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.319 0.042 18864 8110 1 19 . 1 1 84 84 VAL CA C 84 61.251 61.251 61.236 0.015 18864 8111 1 19 . 1 1 84 84 VAL CB C 84 35.610 35.610 33.085 2.525 18864 8112 1 19 . 1 1 84 84 VAL H H 84 9.630 9.630 9.239 0.391 18864 8113 1 19 . 1 1 85 85 LYS N N 85 130.184 130.184 130.437 -0.253 18864 8114 1 19 . 1 1 85 85 LYS HA H 85 4.280 4.280 3.688 0.592 18864 8115 1 19 . 1 1 85 85 LYS CA C 85 56.161 56.161 56.510 -0.349 18864 8116 1 19 . 1 1 85 85 LYS CB C 85 33.684 33.684 32.528 1.156 18864 8117 1 19 . 1 1 85 85 LYS H H 85 8.827 8.827 8.838 -0.011 18864 8118 1 19 . 1 1 86 86 SER N N 86 125.071 125.071 121.357 3.714 18864 8119 1 19 . 1 1 86 86 SER HA H 86 4.925 4.925 4.835 0.090 18864 8120 1 19 . 1 1 86 86 SER CA C 86 56.939 56.939 56.862 0.077 18864 8121 1 19 . 1 1 86 86 SER CB C 86 67.836 67.836 66.480 1.356 18864 8122 1 19 . 1 1 86 86 SER H H 86 9.594 9.594 8.340 1.254 18864 8123 1 19 . 1 1 87 87 GLU N N 87 118.510 118.510 119.830 -1.320 18864 8124 1 19 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.098 0.022 18864 8125 1 19 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.508 -0.423 18864 8126 1 19 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.287 0.093 18864 8127 1 19 . 1 1 87 87 GLU H H 87 9.615 9.615 9.061 0.554 18864 8128 1 19 . 1 1 88 88 PHE N N 88 118.385 118.385 118.845 -0.460 18864 8129 1 19 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.329 0.210 18864 8130 1 19 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.376 -0.875 18864 8131 1 19 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.747 0.412 18864 8132 1 19 . 1 1 88 88 PHE H H 88 8.817 8.817 8.146 0.671 18864 8133 1 19 . 1 1 89 89 GLY N N 89 107.269 107.269 103.479 3.790 18864 8134 1 19 . 1 1 89 89 GLY CA C 89 45.088 45.088 45.105 -0.017 18864 8135 1 19 . 1 1 89 89 GLY H H 89 7.405 7.405 8.103 -0.698 18864 8136 1 19 . 1 1 90 90 TYR N N 90 119.181 119.181 121.367 -2.186 18864 8137 1 19 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.220 -0.140 18864 8138 1 19 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.718 -0.382 18864 8139 1 19 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.298 1.531 18864 8140 1 19 . 1 1 90 90 TYR H H 90 9.119 9.119 8.296 0.823 18864 8141 1 19 . 1 1 91 91 HIS N N 91 120.399 120.399 122.081 -1.682 18864 8142 1 19 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.809 -0.252 18864 8143 1 19 . 1 1 91 91 HIS CA C 91 54.446 54.446 53.874 0.572 18864 8144 1 19 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.381 -2.084 18864 8145 1 19 . 1 1 91 91 HIS H H 91 9.879 9.879 9.559 0.320 18864 8146 1 19 . 1 1 92 92 VAL N N 92 122.606 122.606 121.701 0.905 18864 8147 1 19 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.487 -0.500 18864 8148 1 19 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.890 2.038 18864 8149 1 19 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.666 -0.444 18864 8150 1 19 . 1 1 92 92 VAL H H 92 9.102 9.102 9.255 -0.153 18864 8151 1 19 . 1 1 93 93 ILE N N 93 128.087 128.087 127.707 0.380 18864 8152 1 19 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.265 -0.486 18864 8153 1 19 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.857 1.079 18864 8154 1 19 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.945 0.827 18864 8155 1 19 . 1 1 93 93 ILE H H 93 8.623 8.623 9.621 -0.998 18864 8156 1 19 . 1 1 94 94 LYS N N 94 125.877 125.877 127.348 -1.471 18864 8157 1 19 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.022 0.289 18864 8158 1 19 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.563 0.670 18864 8159 1 19 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.438 0.050 18864 8160 1 19 . 1 1 94 94 LYS H H 94 8.881 8.881 8.787 0.094 18864 8161 1 19 . 1 1 95 95 ARG N N 95 126.274 126.274 124.018 2.256 18864 8162 1 19 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.269 0.754 18864 8163 1 19 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.691 -0.678 18864 8164 1 19 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.224 -1.467 18864 8165 1 19 . 1 1 95 95 ARG H H 95 7.955 7.955 7.954 0.001 18864 8166 1 19 . 1 1 96 96 LEU N N 96 129.551 129.551 126.456 3.095 18864 8167 1 19 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.510 0.077 18864 8168 1 19 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.789 0.732 18864 8169 1 19 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.498 -0.114 18864 8170 1 19 . 1 1 96 96 LEU H H 96 9.017 9.017 8.750 0.267 18864 8171 1 20 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.424 0.046 18864 8172 1 20 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.548 0.698 18864 8173 1 20 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.515 -0.127 18864 8174 1 20 . 1 1 3 3 MET HA H 3 4.476 4.476 4.276 0.200 18864 8175 1 20 . 1 1 3 3 MET CA C 3 56.002 56.002 56.696 -0.694 18864 8176 1 20 . 1 1 3 3 MET CB C 3 32.025 32.025 33.046 -1.021 18864 8177 1 20 . 1 1 4 4 GLY CA C 4 45.433 45.433 44.690 0.743 18864 8178 1 20 . 1 1 5 5 SER HA H 5 4.427 4.427 4.559 -0.132 18864 8179 1 20 . 1 1 5 5 SER CA C 5 58.631 58.631 57.714 0.917 18864 8180 1 20 . 1 1 5 5 SER CB C 5 64.117 64.117 64.634 -0.517 18864 8181 1 20 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.163 0.262 18864 8182 1 20 . 1 1 7 7 ALA CA C 7 52.645 52.645 54.129 -1.484 18864 8183 1 20 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.217 1.399 18864 8184 1 20 . 1 1 8 8 ASP N N 8 119.103 119.103 117.746 1.357 18864 8185 1 20 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.553 0.068 18864 8186 1 20 . 1 1 8 8 ASP CA C 8 55.170 55.170 56.337 -1.167 18864 8187 1 20 . 1 1 8 8 ASP CB C 8 41.375 41.375 41.043 0.332 18864 8188 1 20 . 1 1 8 8 ASP H H 8 8.353 8.353 7.983 0.370 18864 8189 1 20 . 1 1 9 9 LYS N N 9 117.781 117.781 117.845 -0.064 18864 8190 1 20 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.583 0.383 18864 8191 1 20 . 1 1 9 9 LYS CA C 9 55.367 55.367 56.039 -0.673 18864 8192 1 20 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.357 1.723 18864 8193 1 20 . 1 1 9 9 LYS H H 9 7.858 7.858 7.459 0.399 18864 8194 1 20 . 1 1 10 10 ILE N N 10 114.675 114.675 119.731 -5.056 18864 8195 1 20 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.064 0.450 18864 8196 1 20 . 1 1 10 10 ILE CA C 10 59.560 59.560 59.535 0.026 18864 8197 1 20 . 1 1 10 10 ILE CB C 10 42.395 42.395 37.672 4.723 18864 8198 1 20 . 1 1 10 10 ILE H H 10 8.254 8.254 8.430 -0.176 18864 8199 1 20 . 1 1 11 11 LYS N N 11 121.626 121.626 127.984 -6.358 18864 8200 1 20 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.815 -0.024 18864 8201 1 20 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.382 -2.471 18864 8202 1 20 . 1 1 11 11 LYS CB C 11 33.603 33.603 32.128 1.475 18864 8203 1 20 . 1 1 11 11 LYS H H 11 7.974 7.974 8.721 -0.747 18864 8204 1 20 . 1 1 12 12 CYS N N 12 118.054 118.054 123.881 -5.827 18864 8205 1 20 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.419 0.219 18864 8206 1 20 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.535 0.123 18864 8207 1 20 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.663 1.962 18864 8208 1 20 . 1 1 12 12 CYS H H 12 7.256 7.256 9.359 -2.103 18864 8209 1 20 . 1 1 13 13 SER N N 13 117.042 117.042 115.960 1.082 18864 8210 1 20 . 1 1 13 13 SER HA H 13 5.625 5.625 5.643 -0.018 18864 8211 1 20 . 1 1 13 13 SER CA C 13 56.017 56.017 57.198 -1.181 18864 8212 1 20 . 1 1 13 13 SER CB C 13 66.920 66.920 65.582 1.338 18864 8213 1 20 . 1 1 13 13 SER H H 13 9.186 9.186 9.033 0.153 18864 8214 1 20 . 1 1 14 14 HIS N N 14 119.162 119.162 121.349 -2.187 18864 8215 1 20 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.208 0.202 18864 8216 1 20 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.161 0.433 18864 8217 1 20 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.271 3.352 18864 8218 1 20 . 1 1 14 14 HIS H H 14 9.902 9.902 9.473 0.429 18864 8219 1 20 . 1 1 15 15 ILE N N 15 121.809 121.809 121.939 -0.130 18864 8220 1 20 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.097 -0.660 18864 8221 1 20 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.958 1.919 18864 8222 1 20 . 1 1 15 15 ILE CB C 15 41.793 41.793 40.703 1.090 18864 8223 1 20 . 1 1 15 15 ILE H H 15 8.913 8.913 9.217 -0.304 18864 8224 1 20 . 1 1 16 16 LEU N N 16 129.008 129.008 130.521 -1.513 18864 8225 1 20 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.113 -0.095 18864 8226 1 20 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.513 -0.850 18864 8227 1 20 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.920 1.096 18864 8228 1 20 . 1 1 16 16 LEU H H 16 7.632 7.632 8.296 -0.664 18864 8229 1 20 . 1 1 17 17 VAL N N 17 117.991 117.991 120.549 -2.558 18864 8230 1 20 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.624 0.335 18864 8231 1 20 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.026 -0.185 18864 8232 1 20 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.250 -0.461 18864 8233 1 20 . 1 1 17 17 VAL H H 17 9.025 9.025 9.103 -0.078 18864 8234 1 20 . 1 1 18 18 LYS N N 18 119.296 119.296 121.432 -2.136 18864 8235 1 20 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.192 0.209 18864 8236 1 20 . 1 1 18 18 LYS CA C 18 59.373 59.373 59.263 0.110 18864 8237 1 20 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.918 1.392 18864 8238 1 20 . 1 1 18 18 LYS H H 18 8.781 8.781 8.678 0.103 18864 8239 1 20 . 1 1 19 19 LYS N N 19 114.107 114.107 119.017 -4.910 18864 8240 1 20 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.483 0.352 18864 8241 1 20 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.840 -0.116 18864 8242 1 20 . 1 1 19 19 LYS CB C 19 35.804 35.804 33.907 1.897 18864 8243 1 20 . 1 1 19 19 LYS H H 19 8.023 8.023 7.672 0.351 18864 8244 1 20 . 1 1 20 20 GLN N N 20 125.662 125.662 122.594 3.068 18864 8245 1 20 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.684 1.170 18864 8246 1 20 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.609 -0.174 18864 8247 1 20 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.152 -0.183 18864 8248 1 20 . 1 1 20 20 GLN H H 20 8.795 8.795 8.657 0.138 18864 8249 1 20 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.951 0.046 18864 8250 1 20 . 1 1 22 22 GLU N N 22 119.712 119.712 122.419 -2.707 18864 8251 1 20 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.980 0.135 18864 8252 1 20 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.120 -0.998 18864 8253 1 20 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.296 0.420 18864 8254 1 20 . 1 1 22 22 GLU H H 22 6.765 6.765 7.414 -0.649 18864 8255 1 20 . 1 1 23 23 ALA N N 23 124.106 124.106 122.900 1.206 18864 8256 1 20 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.969 -0.201 18864 8257 1 20 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.339 -0.434 18864 8258 1 20 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.430 -0.627 18864 8259 1 20 . 1 1 23 23 ALA H H 23 7.461 7.461 7.901 -0.440 18864 8260 1 20 . 1 1 24 24 LEU N N 24 118.772 118.772 119.288 -0.516 18864 8261 1 20 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.183 -0.004 18864 8262 1 20 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.408 0.429 18864 8263 1 20 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.310 -0.106 18864 8264 1 20 . 1 1 24 24 LEU H H 24 7.989 7.989 8.464 -0.475 18864 8265 1 20 . 1 1 25 25 ALA N N 25 121.590 121.590 122.563 -0.973 18864 8266 1 20 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.941 0.255 18864 8267 1 20 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.501 -0.305 18864 8268 1 20 . 1 1 25 25 ALA CB C 25 17.897 17.897 17.972 -0.075 18864 8269 1 20 . 1 1 25 25 ALA H H 25 7.472 7.472 8.420 -0.948 18864 8270 1 20 . 1 1 26 26 VAL N N 26 118.603 118.603 115.421 3.182 18864 8271 1 20 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.437 -0.167 18864 8272 1 20 . 1 1 26 26 VAL CA C 26 67.307 67.307 66.149 1.158 18864 8273 1 20 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.935 0.477 18864 8274 1 20 . 1 1 26 26 VAL H H 26 7.633 7.633 8.114 -0.481 18864 8275 1 20 . 1 1 27 27 GLN N N 27 117.799 117.799 120.565 -2.766 18864 8276 1 20 . 1 1 27 27 GLN HA H 27 3.956 3.956 4.031 -0.075 18864 8277 1 20 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.369 0.930 18864 8278 1 20 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.540 1.280 18864 8279 1 20 . 1 1 27 27 GLN H H 27 8.000 8.000 8.303 -0.303 18864 8280 1 20 . 1 1 28 28 GLU N N 28 118.775 118.775 119.878 -1.103 18864 8281 1 20 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.139 -0.122 18864 8282 1 20 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.841 0.734 18864 8283 1 20 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.290 0.320 18864 8284 1 20 . 1 1 28 28 GLU H H 28 8.107 8.107 8.861 -0.754 18864 8285 1 20 . 1 1 29 29 ARG N N 29 121.360 121.360 120.447 0.913 18864 8286 1 20 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.108 0.018 18864 8287 1 20 . 1 1 29 29 ARG CA C 29 60.074 60.074 58.943 1.131 18864 8288 1 20 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.272 1.109 18864 8289 1 20 . 1 1 29 29 ARG H H 29 8.084 8.084 8.280 -0.196 18864 8290 1 20 . 1 1 30 30 LEU N N 30 120.289 120.289 118.989 1.300 18864 8291 1 20 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.220 0.115 18864 8292 1 20 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.748 -0.076 18864 8293 1 20 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.027 0.713 18864 8294 1 20 . 1 1 30 30 LEU H H 30 8.379 8.379 8.733 -0.354 18864 8295 1 20 . 1 1 31 31 LYS N N 31 122.554 122.554 119.346 3.208 18864 8296 1 20 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.065 -0.012 18864 8297 1 20 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.331 1.098 18864 8298 1 20 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.665 0.654 18864 8299 1 20 . 1 1 31 31 LYS H H 31 8.280 8.280 7.603 0.677 18864 8300 1 20 . 1 1 32 32 ALA N N 32 119.271 119.271 118.567 0.704 18864 8301 1 20 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.208 0.170 18864 8302 1 20 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.831 -0.255 18864 8303 1 20 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.101 -0.280 18864 8304 1 20 . 1 1 32 32 ALA H H 32 7.557 7.557 7.797 -0.240 18864 8305 1 20 . 1 1 33 33 GLY N N 33 105.104 105.104 105.849 -0.745 18864 8306 1 20 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.655 0.090 18864 8307 1 20 . 1 1 33 33 GLY H H 33 7.758 7.758 7.874 -0.116 18864 8308 1 20 . 1 1 34 34 GLU N N 34 121.024 121.024 119.980 1.044 18864 8309 1 20 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.298 -0.019 18864 8310 1 20 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.347 1.825 18864 8311 1 20 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.573 0.163 18864 8312 1 20 . 1 1 34 34 GLU H H 34 7.871 7.871 7.946 -0.075 18864 8313 1 20 . 1 1 35 35 LYS N N 35 121.214 121.214 121.635 -0.421 18864 8314 1 20 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.254 0.011 18864 8315 1 20 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.641 -0.324 18864 8316 1 20 . 1 1 35 35 LYS CB C 35 33.062 33.062 32.930 0.132 18864 8317 1 20 . 1 1 35 35 LYS H H 35 8.776 8.776 8.307 0.469 18864 8318 1 20 . 1 1 36 36 PHE N N 36 125.726 125.726 126.449 -0.723 18864 8319 1 20 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.198 -0.555 18864 8320 1 20 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.047 0.783 18864 8321 1 20 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.267 1.028 18864 8322 1 20 . 1 1 36 36 PHE H H 36 8.972 8.972 9.021 -0.049 18864 8323 1 20 . 1 1 37 37 GLY N N 37 103.959 103.959 106.104 -2.145 18864 8324 1 20 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.065 0.280 18864 8325 1 20 . 1 1 37 37 GLY H H 37 9.123 9.123 9.026 0.097 18864 8326 1 20 . 1 1 38 38 LYS N N 38 120.432 120.432 122.615 -2.183 18864 8327 1 20 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.032 0.026 18864 8328 1 20 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.124 -0.095 18864 8329 1 20 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.309 0.346 18864 8330 1 20 . 1 1 38 38 LYS H H 38 6.683 6.683 7.334 -0.651 18864 8331 1 20 . 1 1 39 39 LEU N N 39 119.598 119.598 119.317 0.281 18864 8332 1 20 . 1 1 39 39 LEU HA H 39 3.907 3.907 3.965 -0.058 18864 8333 1 20 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.384 0.230 18864 8334 1 20 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.389 1.355 18864 8335 1 20 . 1 1 39 39 LEU H H 39 7.754 7.754 7.809 -0.055 18864 8336 1 20 . 1 1 40 40 ALA N N 40 121.385 121.385 123.111 -1.726 18864 8337 1 20 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.958 -0.186 18864 8338 1 20 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.901 0.974 18864 8339 1 20 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.427 -1.242 18864 8340 1 20 . 1 1 40 40 ALA H H 40 8.437 8.437 8.413 0.024 18864 8341 1 20 . 1 1 41 41 LYS N N 41 116.991 116.991 117.066 -0.075 18864 8342 1 20 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.015 -0.093 18864 8343 1 20 . 1 1 41 41 LYS CA C 41 59.759 59.759 59.188 0.571 18864 8344 1 20 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.455 0.156 18864 8345 1 20 . 1 1 41 41 LYS H H 41 7.681 7.681 8.352 -0.671 18864 8346 1 20 . 1 1 42 42 GLU N N 42 117.121 117.121 118.194 -1.073 18864 8347 1 20 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.163 -0.135 18864 8348 1 20 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.720 0.340 18864 8349 1 20 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.058 1.437 18864 8350 1 20 . 1 1 42 42 GLU H H 42 7.796 7.796 7.784 0.012 18864 8351 1 20 . 1 1 43 43 LEU N N 43 112.754 112.754 117.436 -4.682 18864 8352 1 20 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.347 0.192 18864 8353 1 20 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.786 -0.609 18864 8354 1 20 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.077 1.986 18864 8355 1 20 . 1 1 43 43 LEU H H 43 8.305 8.305 8.143 0.162 18864 8356 1 20 . 1 1 44 44 SER N N 44 110.514 110.514 113.890 -3.376 18864 8357 1 20 . 1 1 44 44 SER HA H 44 4.707 4.707 4.505 0.202 18864 8358 1 20 . 1 1 44 44 SER CA C 44 57.490 57.490 59.711 -2.221 18864 8359 1 20 . 1 1 44 44 SER CB C 44 65.461 65.461 63.595 1.866 18864 8360 1 20 . 1 1 44 44 SER H H 44 8.255 8.255 7.490 0.765 18864 8361 1 20 . 1 1 45 45 ILE N N 45 120.438 120.438 116.629 3.809 18864 8362 1 20 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.189 0.230 18864 8363 1 20 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.982 0.877 18864 8364 1 20 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.367 -1.238 18864 8365 1 20 . 1 1 45 45 ILE H H 45 9.238 9.238 8.637 0.601 18864 8366 1 20 . 1 1 46 46 ASP N N 46 120.068 120.068 122.012 -1.944 18864 8367 1 20 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.603 -0.225 18864 8368 1 20 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.303 -0.551 18864 8369 1 20 . 1 1 46 46 ASP CB C 46 40.416 40.416 41.450 -1.034 18864 8370 1 20 . 1 1 46 46 ASP H H 46 7.488 7.488 7.570 -0.082 18864 8371 1 20 . 1 1 47 47 GLY N N 47 114.910 114.910 116.185 -1.275 18864 8372 1 20 . 1 1 47 47 GLY CA C 47 47.318 47.318 47.173 0.145 18864 8373 1 20 . 1 1 47 47 GLY H H 47 8.562 8.562 8.572 -0.010 18864 8374 1 20 . 1 1 48 48 GLY N N 48 106.725 106.725 109.539 -2.814 18864 8375 1 20 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.603 -0.977 18864 8376 1 20 . 1 1 48 48 GLY H H 48 8.328 8.328 8.757 -0.429 18864 8377 1 20 . 1 1 49 49 SER N N 49 110.646 110.646 118.197 -7.551 18864 8378 1 20 . 1 1 49 49 SER HA H 49 4.560 4.560 4.281 0.279 18864 8379 1 20 . 1 1 49 49 SER CA C 49 59.559 59.559 61.299 -1.740 18864 8380 1 20 . 1 1 49 49 SER CB C 49 65.469 65.469 61.782 3.687 18864 8381 1 20 . 1 1 49 49 SER H H 49 7.255 7.255 7.757 -0.502 18864 8382 1 20 . 1 1 50 50 ALA N N 50 130.821 130.821 126.847 3.974 18864 8383 1 20 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.065 -0.239 18864 8384 1 20 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.966 1.904 18864 8385 1 20 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.691 0.694 18864 8386 1 20 . 1 1 50 50 ALA H H 50 8.571 8.571 8.475 0.096 18864 8387 1 20 . 1 1 51 51 LYS N N 51 110.700 110.700 118.007 -7.307 18864 8388 1 20 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.052 0.185 18864 8389 1 20 . 1 1 51 51 LYS CA C 51 57.587 57.587 59.458 -1.871 18864 8390 1 20 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.642 -0.524 18864 8391 1 20 . 1 1 51 51 LYS H H 51 7.761 7.761 8.738 -0.977 18864 8392 1 20 . 1 1 52 52 ARG N N 52 120.280 120.280 117.006 3.274 18864 8393 1 20 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.396 0.391 18864 8394 1 20 . 1 1 52 52 ARG CA C 52 54.202 54.202 54.486 -0.284 18864 8395 1 20 . 1 1 52 52 ARG CB C 52 29.504 29.504 29.697 -0.193 18864 8396 1 20 . 1 1 52 52 ARG H H 52 7.650 7.650 8.401 -0.751 18864 8397 1 20 . 1 1 53 53 ASP N N 53 117.809 117.809 117.081 0.728 18864 8398 1 20 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.323 0.078 18864 8399 1 20 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.048 1.299 18864 8400 1 20 . 1 1 53 53 ASP CB C 53 38.622 38.622 38.444 0.178 18864 8401 1 20 . 1 1 53 53 ASP H H 53 8.157 8.157 7.792 0.365 18864 8402 1 20 . 1 1 54 54 GLY N N 54 104.041 104.041 107.034 -2.993 18864 8403 1 20 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.648 -1.020 18864 8404 1 20 . 1 1 54 54 GLY H H 54 8.279 8.279 9.254 -0.975 18864 8405 1 20 . 1 1 55 55 SER N N 55 113.436 113.436 120.937 -7.501 18864 8406 1 20 . 1 1 55 55 SER HA H 55 4.578 4.578 4.245 0.333 18864 8407 1 20 . 1 1 55 55 SER CA C 55 59.851 59.851 59.048 0.803 18864 8408 1 20 . 1 1 55 55 SER CB C 55 64.102 64.102 61.880 2.222 18864 8409 1 20 . 1 1 55 55 SER H H 55 7.524 7.524 8.617 -1.093 18864 8410 1 20 . 1 1 56 56 LEU N N 56 126.328 126.328 125.536 0.792 18864 8411 1 20 . 1 1 56 56 LEU HA H 56 4.491 4.491 3.953 0.538 18864 8412 1 20 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.927 -2.789 18864 8413 1 20 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.019 1.241 18864 8414 1 20 . 1 1 56 56 LEU H H 56 8.818 8.818 8.305 0.513 18864 8415 1 20 . 1 1 57 57 GLY N N 57 107.077 107.077 103.703 3.374 18864 8416 1 20 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.539 0.656 18864 8417 1 20 . 1 1 57 57 GLY H H 57 8.072 8.072 8.034 0.038 18864 8418 1 20 . 1 1 58 58 TYR N N 58 115.734 115.734 119.636 -3.902 18864 8419 1 20 . 1 1 58 58 TYR HA H 58 5.191 5.191 5.075 0.116 18864 8420 1 20 . 1 1 58 58 TYR CA C 58 57.850 57.850 54.763 3.087 18864 8421 1 20 . 1 1 58 58 TYR CB C 58 40.674 40.674 37.941 2.732 18864 8422 1 20 . 1 1 58 58 TYR H H 58 8.348 8.348 7.353 0.995 18864 8423 1 20 . 1 1 59 59 PHE N N 59 118.174 118.174 118.326 -0.152 18864 8424 1 20 . 1 1 59 59 PHE HA H 59 5.037 5.037 5.022 0.015 18864 8425 1 20 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.141 0.174 18864 8426 1 20 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.857 -0.267 18864 8427 1 20 . 1 1 59 59 PHE H H 59 9.136 9.136 8.230 0.906 18864 8428 1 20 . 1 1 60 60 GLY N N 60 106.839 106.839 108.503 -1.664 18864 8429 1 20 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.584 -0.423 18864 8430 1 20 . 1 1 60 60 GLY H H 60 8.594 8.594 8.498 0.096 18864 8431 1 20 . 1 1 61 61 ARG N N 61 119.161 119.161 119.481 -0.320 18864 8432 1 20 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.323 -0.320 18864 8433 1 20 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.892 -0.473 18864 8434 1 20 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.670 -0.372 18864 8435 1 20 . 1 1 61 61 ARG H H 61 8.833 8.833 8.602 0.231 18864 8436 1 20 . 1 1 62 62 GLY N N 62 112.714 112.714 111.759 0.955 18864 8437 1 20 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.926 -0.425 18864 8438 1 20 . 1 1 62 62 GLY H H 62 10.418 10.418 9.453 0.965 18864 8439 1 20 . 1 1 63 63 LYS N N 63 120.687 120.687 119.167 1.520 18864 8440 1 20 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.566 -0.180 18864 8441 1 20 . 1 1 63 63 LYS CA C 63 57.120 57.120 56.600 0.520 18864 8442 1 20 . 1 1 63 63 LYS CB C 63 34.862 34.862 33.500 1.362 18864 8443 1 20 . 1 1 63 63 LYS H H 63 7.706 7.706 8.768 -1.062 18864 8444 1 20 . 1 1 64 64 MET N N 64 117.704 117.704 117.984 -0.280 18864 8445 1 20 . 1 1 64 64 MET HA H 64 4.608 4.608 4.629 -0.021 18864 8446 1 20 . 1 1 64 64 MET CA C 64 51.959 51.959 53.317 -1.358 18864 8447 1 20 . 1 1 64 64 MET CB C 64 33.012 33.012 34.624 -1.612 18864 8448 1 20 . 1 1 64 64 MET H H 64 9.046 9.046 8.995 0.051 18864 8449 1 20 . 1 1 65 65 VAL N N 65 113.540 113.540 117.028 -3.488 18864 8450 1 20 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.017 0.196 18864 8451 1 20 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.472 -0.132 18864 8452 1 20 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.625 0.176 18864 8453 1 20 . 1 1 65 65 VAL H H 65 8.043 8.043 8.168 -0.125 18864 8454 1 20 . 1 1 66 66 LYS N N 66 124.592 124.592 126.819 -2.227 18864 8455 1 20 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.139 0.064 18864 8456 1 20 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.444 -0.022 18864 8457 1 20 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.596 -0.163 18864 8458 1 20 . 1 1 66 66 LYS H H 66 8.877 8.877 9.018 -0.141 18864 8459 1 20 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.298 0.153 18864 8460 1 20 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.735 0.314 18864 8461 1 20 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.337 -0.086 18864 8462 1 20 . 1 1 68 68 PHE N N 68 115.149 115.149 120.360 -5.211 18864 8463 1 20 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.070 -0.383 18864 8464 1 20 . 1 1 68 68 PHE CA C 68 60.756 60.756 62.071 -1.315 18864 8465 1 20 . 1 1 68 68 PHE CB C 68 40.182 40.182 39.129 1.054 18864 8466 1 20 . 1 1 68 68 PHE H H 68 6.997 6.997 8.151 -1.154 18864 8467 1 20 . 1 1 69 69 GLU N N 69 119.933 119.933 119.385 0.548 18864 8468 1 20 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.060 -0.064 18864 8469 1 20 . 1 1 69 69 GLU CA C 69 60.964 60.964 59.948 1.016 18864 8470 1 20 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.699 1.226 18864 8471 1 20 . 1 1 69 69 GLU H H 69 8.562 8.562 8.332 0.230 18864 8472 1 20 . 1 1 70 70 ASP N N 70 116.956 116.956 120.289 -3.333 18864 8473 1 20 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.533 -0.148 18864 8474 1 20 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.653 -0.480 18864 8475 1 20 . 1 1 70 70 ASP CB C 70 40.188 40.188 41.075 -0.887 18864 8476 1 20 . 1 1 70 70 ASP H H 70 9.074 9.074 8.807 0.267 18864 8477 1 20 . 1 1 71 71 ALA N N 71 117.745 117.745 121.482 -3.737 18864 8478 1 20 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.084 0.088 18864 8479 1 20 . 1 1 71 71 ALA CA C 71 54.315 54.315 54.936 -0.621 18864 8480 1 20 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.318 2.184 18864 8481 1 20 . 1 1 71 71 ALA H H 71 6.888 6.888 8.202 -1.314 18864 8482 1 20 . 1 1 72 72 ALA N N 72 120.783 120.783 121.599 -0.816 18864 8483 1 20 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.854 -0.108 18864 8484 1 20 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.435 0.958 18864 8485 1 20 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.434 0.650 18864 8486 1 20 . 1 1 72 72 ALA H H 72 8.860 8.860 7.668 1.192 18864 8487 1 20 . 1 1 73 73 PHE N N 73 110.353 110.353 117.659 -7.306 18864 8488 1 20 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.166 -0.145 18864 8489 1 20 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.932 -0.366 18864 8490 1 20 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.607 -0.280 18864 8491 1 20 . 1 1 73 73 PHE H H 73 8.275 8.275 8.316 -0.042 18864 8492 1 20 . 1 1 74 74 ARG N N 74 116.189 116.189 118.960 -2.771 18864 8493 1 20 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.145 0.329 18864 8494 1 20 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.043 -2.676 18864 8495 1 20 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.179 1.521 18864 8496 1 20 . 1 1 74 74 ARG H H 74 7.047 7.047 7.671 -0.624 18864 8497 1 20 . 1 1 75 75 LEU N N 75 119.425 119.425 118.560 0.865 18864 8498 1 20 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.555 -0.276 18864 8499 1 20 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.542 1.459 18864 8500 1 20 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.809 2.336 18864 8501 1 20 . 1 1 75 75 LEU H H 75 7.033 7.033 7.498 -0.465 18864 8502 1 20 . 1 1 76 76 GLN N N 76 121.205 121.205 120.328 0.877 18864 8503 1 20 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.832 0.575 18864 8504 1 20 . 1 1 76 76 GLN CA C 76 54.459 54.459 59.322 -4.863 18864 8505 1 20 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.234 1.386 18864 8506 1 20 . 1 1 76 76 GLN H H 76 9.087 9.087 7.610 1.477 18864 8507 1 20 . 1 1 77 77 VAL N N 77 121.809 121.809 117.083 4.726 18864 8508 1 20 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.749 0.654 18864 8509 1 20 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.726 2.857 18864 8510 1 20 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.233 -2.617 18864 8511 1 20 . 1 1 77 77 VAL H H 77 8.901 8.901 8.089 0.812 18864 8512 1 20 . 1 1 78 78 GLY N N 78 117.559 117.559 106.133 11.426 18864 8513 1 20 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.528 0.605 18864 8514 1 20 . 1 1 78 78 GLY H H 78 9.049 9.049 8.322 0.727 18864 8515 1 20 . 1 1 79 79 GLU N N 79 122.304 122.304 121.277 1.027 18864 8516 1 20 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.301 -0.034 18864 8517 1 20 . 1 1 79 79 GLU CA C 79 56.547 56.547 57.402 -0.855 18864 8518 1 20 . 1 1 79 79 GLU CB C 79 32.290 32.290 30.953 1.337 18864 8519 1 20 . 1 1 79 79 GLU H H 79 8.093 8.093 7.799 0.294 18864 8520 1 20 . 1 1 80 80 VAL N N 80 122.253 122.253 118.879 3.374 18864 8521 1 20 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.403 0.643 18864 8522 1 20 . 1 1 80 80 VAL CA C 80 60.322 60.322 60.511 -0.189 18864 8523 1 20 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.364 1.193 18864 8524 1 20 . 1 1 80 80 VAL H H 80 8.133 8.133 8.255 -0.122 18864 8525 1 20 . 1 1 81 81 SER N N 81 125.484 125.484 123.354 2.130 18864 8526 1 20 . 1 1 81 81 SER HA H 81 4.346 4.346 4.378 -0.032 18864 8527 1 20 . 1 1 81 81 SER CA C 81 59.316 59.316 58.459 0.857 18864 8528 1 20 . 1 1 81 81 SER CB C 81 65.988 65.988 64.082 1.907 18864 8529 1 20 . 1 1 81 81 SER H H 81 9.927 9.927 9.029 0.898 18864 8530 1 20 . 1 1 82 82 GLU N N 82 116.381 116.381 122.065 -5.684 18864 8531 1 20 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.460 0.163 18864 8532 1 20 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.629 0.022 18864 8533 1 20 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.576 -0.246 18864 8534 1 20 . 1 1 82 82 GLU H H 82 7.986 7.986 8.498 -0.512 18864 8535 1 20 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.309 0.424 18864 8536 1 20 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.719 -0.037 18864 8537 1 20 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.851 -0.409 18864 8538 1 20 . 1 1 84 84 VAL N N 84 127.594 127.594 126.031 1.563 18864 8539 1 20 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.403 -0.042 18864 8540 1 20 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.580 0.671 18864 8541 1 20 . 1 1 84 84 VAL CB C 84 35.610 35.610 34.990 0.619 18864 8542 1 20 . 1 1 84 84 VAL H H 84 9.630 9.630 9.020 0.610 18864 8543 1 20 . 1 1 85 85 LYS N N 85 130.184 130.184 129.540 0.644 18864 8544 1 20 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.764 -0.484 18864 8545 1 20 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.534 0.627 18864 8546 1 20 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.857 -0.173 18864 8547 1 20 . 1 1 85 85 LYS H H 85 8.827 8.827 8.852 -0.025 18864 8548 1 20 . 1 1 86 86 SER N N 86 125.071 125.071 122.997 2.074 18864 8549 1 20 . 1 1 86 86 SER HA H 86 4.925 4.925 4.928 -0.003 18864 8550 1 20 . 1 1 86 86 SER CA C 86 56.939 56.939 56.770 0.169 18864 8551 1 20 . 1 1 86 86 SER CB C 86 67.836 67.836 66.429 1.407 18864 8552 1 20 . 1 1 86 86 SER H H 86 9.594 9.594 9.057 0.537 18864 8553 1 20 . 1 1 87 87 GLU N N 87 118.510 118.510 119.495 -0.985 18864 8554 1 20 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.085 0.035 18864 8555 1 20 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.235 -0.150 18864 8556 1 20 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.006 0.374 18864 8557 1 20 . 1 1 87 87 GLU H H 87 9.615 9.615 8.931 0.684 18864 8558 1 20 . 1 1 88 88 PHE N N 88 118.385 118.385 119.186 -0.801 18864 8559 1 20 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.344 0.195 18864 8560 1 20 . 1 1 88 88 PHE CA C 88 58.501 58.501 60.114 -1.613 18864 8561 1 20 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.712 0.447 18864 8562 1 20 . 1 1 88 88 PHE H H 88 8.817 8.817 7.965 0.852 18864 8563 1 20 . 1 1 89 89 GLY N N 89 107.269 107.269 103.358 3.911 18864 8564 1 20 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.792 0.296 18864 8565 1 20 . 1 1 89 89 GLY H H 89 7.405 7.405 8.189 -0.784 18864 8566 1 20 . 1 1 90 90 TYR N N 90 119.181 119.181 121.113 -1.932 18864 8567 1 20 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.546 -0.466 18864 8568 1 20 . 1 1 90 90 TYR CA C 90 57.336 57.336 58.237 -0.901 18864 8569 1 20 . 1 1 90 90 TYR CB C 90 41.829 41.829 39.530 2.299 18864 8570 1 20 . 1 1 90 90 TYR H H 90 9.119 9.119 7.783 1.336 18864 8571 1 20 . 1 1 91 91 HIS N N 91 120.399 120.399 120.835 -0.436 18864 8572 1 20 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.802 -0.245 18864 8573 1 20 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.345 0.101 18864 8574 1 20 . 1 1 91 91 HIS CB C 91 31.297 31.297 34.052 -2.755 18864 8575 1 20 . 1 1 91 91 HIS H H 91 9.879 9.879 9.729 0.150 18864 8576 1 20 . 1 1 92 92 VAL N N 92 122.606 122.606 122.708 -0.102 18864 8577 1 20 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.646 -0.659 18864 8578 1 20 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.806 2.122 18864 8579 1 20 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.698 -0.476 18864 8580 1 20 . 1 1 92 92 VAL H H 92 9.102 9.102 9.198 -0.096 18864 8581 1 20 . 1 1 93 93 ILE N N 93 128.087 128.087 128.195 -0.108 18864 8582 1 20 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.115 -0.336 18864 8583 1 20 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.949 0.987 18864 8584 1 20 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.684 1.088 18864 8585 1 20 . 1 1 93 93 ILE H H 93 8.623 8.623 9.722 -1.099 18864 8586 1 20 . 1 1 94 94 LYS N N 94 125.877 125.877 127.062 -1.185 18864 8587 1 20 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.339 -0.028 18864 8588 1 20 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.450 0.783 18864 8589 1 20 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.305 0.183 18864 8590 1 20 . 1 1 94 94 LYS H H 94 8.881 8.881 8.985 -0.104 18864 8591 1 20 . 1 1 95 95 ARG N N 95 126.274 126.274 124.453 1.821 18864 8592 1 20 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.367 0.656 18864 8593 1 20 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.073 -0.059 18864 8594 1 20 . 1 1 95 95 ARG CB C 95 29.757 29.757 30.956 -1.199 18864 8595 1 20 . 1 1 95 95 ARG H H 95 7.955 7.955 7.960 -0.005 18864 8596 1 20 . 1 1 96 96 LEU N N 96 129.551 129.551 127.184 2.367 18864 8597 1 20 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.503 0.084 18864 8598 1 20 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.775 0.746 18864 8599 1 20 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.974 -0.590 18864 8600 1 20 . 1 1 96 96 LEU H H 96 9.017 9.017 8.789 0.228 18864 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 86 3.264 0.814 3.179 18864 2 1 1 "Average Difference" HA 106 0.368 -0.127 0.348 18864 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18864 4 1 1 "Average Difference" CA 94 1.135 -0.017 1.141 18864 5 1 1 "Average Difference" CB 82 1.298 -0.558 1.179 18864 6 1 1 "Average Difference" HN 86 0.712 0.093 0.710 18864 7 1 2 "Average Difference" N 86 3.306 0.699 3.250 18864 8 1 2 "Average Difference" HA 106 0.372 -0.144 0.345 18864 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18864 10 1 2 "Average Difference" CA 94 1.181 0.052 1.187 18864 11 1 2 "Average Difference" CB 82 1.336 -0.592 1.205 18864 12 1 2 "Average Difference" HN 86 0.636 0.065 0.637 18864 13 1 3 "Average Difference" N 86 3.256 0.528 3.232 18864 14 1 3 "Average Difference" HA 106 0.354 -0.114 0.337 18864 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18864 16 1 3 "Average Difference" CA 94 1.234 -0.131 1.234 18864 17 1 3 "Average Difference" CB 82 1.397 -0.641 1.249 18864 18 1 3 "Average Difference" HN 86 0.678 0.042 0.681 18864 19 1 4 "Average Difference" N 86 3.203 0.831 3.112 18864 20 1 4 "Average Difference" HA 106 0.335 -0.100 0.321 18864 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18864 22 1 4 "Average Difference" CA 94 1.265 -0.159 1.262 18864 23 1 4 "Average Difference" CB 82 1.437 -0.549 1.336 18864 24 1 4 "Average Difference" HN 86 0.658 -0.012 0.662 18864 25 1 5 "Average Difference" N 86 3.263 0.607 3.224 18864 26 1 5 "Average Difference" HA 106 0.352 -0.107 0.337 18864 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18864 28 1 5 "Average Difference" CA 94 1.200 -0.058 1.205 18864 29 1 5 "Average Difference" CB 82 1.368 -0.510 1.277 18864 30 1 5 "Average Difference" HN 86 0.674 0.019 0.677 18864 31 1 6 "Average Difference" N 86 3.245 0.812 3.160 18864 32 1 6 "Average Difference" HA 106 0.328 -0.103 0.313 18864 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18864 34 1 6 "Average Difference" CA 94 1.203 -0.065 1.208 18864 35 1 6 "Average Difference" CB 82 1.443 -0.612 1.315 18864 36 1 6 "Average Difference" HN 86 0.625 0.029 0.628 18864 37 1 7 "Average Difference" N 86 3.294 0.724 3.232 18864 38 1 7 "Average Difference" HA 106 0.393 -0.133 0.371 18864 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18864 40 1 7 "Average Difference" CA 94 1.245 -0.078 1.249 18864 41 1 7 "Average Difference" CB 82 1.484 -0.665 1.334 18864 42 1 7 "Average Difference" HN 86 0.652 0.029 0.655 18864 43 1 8 "Average Difference" N 86 3.229 0.867 3.129 18864 44 1 8 "Average Difference" HA 106 0.349 -0.122 0.329 18864 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18864 46 1 8 "Average Difference" CA 94 1.146 -0.040 1.152 18864 47 1 8 "Average Difference" CB 82 1.407 -0.689 1.234 18864 48 1 8 "Average Difference" HN 86 0.672 0.068 0.672 18864 49 1 9 "Average Difference" N 86 3.181 0.657 3.131 18864 50 1 9 "Average Difference" HA 106 0.357 -0.129 0.335 18864 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18864 52 1 9 "Average Difference" CA 94 1.116 -0.011 1.122 18864 53 1 9 "Average Difference" CB 82 1.382 -0.647 1.229 18864 54 1 9 "Average Difference" HN 86 0.648 0.018 0.651 18864 55 1 10 "Average Difference" N 86 3.277 0.685 3.223 18864 56 1 10 "Average Difference" HA 106 0.370 -0.132 0.347 18864 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18864 58 1 10 "Average Difference" CA 94 1.158 -0.030 1.164 18864 59 1 10 "Average Difference" CB 82 1.288 -0.671 1.106 18864 60 1 10 "Average Difference" HN 86 0.673 0.048 0.675 18864 61 1 11 "Average Difference" N 86 3.148 0.893 3.037 18864 62 1 11 "Average Difference" HA 106 0.367 -0.141 0.341 18864 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18864 64 1 11 "Average Difference" CA 94 1.197 -0.020 1.204 18864 65 1 11 "Average Difference" CB 82 1.425 -0.652 1.275 18864 66 1 11 "Average Difference" HN 86 0.678 0.049 0.680 18864 67 1 12 "Average Difference" N 86 3.128 0.574 3.093 18864 68 1 12 "Average Difference" HA 106 0.366 -0.123 0.346 18864 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18864 70 1 12 "Average Difference" CA 94 1.164 -0.039 1.170 18864 71 1 12 "Average Difference" CB 82 1.369 -0.599 1.238 18864 72 1 12 "Average Difference" HN 86 0.659 0.020 0.662 18864 73 1 13 "Average Difference" N 86 3.295 0.686 3.242 18864 74 1 13 "Average Difference" HA 106 0.410 -0.143 0.386 18864 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18864 76 1 13 "Average Difference" CA 94 1.144 -0.032 1.150 18864 77 1 13 "Average Difference" CB 82 1.367 -0.573 1.249 18864 78 1 13 "Average Difference" HN 86 0.635 0.045 0.637 18864 79 1 14 "Average Difference" N 86 3.142 0.646 3.093 18864 80 1 14 "Average Difference" HA 106 0.362 -0.112 0.346 18864 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18864 82 1 14 "Average Difference" CA 94 1.198 -0.049 1.203 18864 83 1 14 "Average Difference" CB 82 1.302 -0.481 1.217 18864 84 1 14 "Average Difference" HN 86 0.630 -0.001 0.633 18864 85 1 15 "Average Difference" N 86 3.100 0.908 2.982 18864 86 1 15 "Average Difference" HA 106 0.358 -0.135 0.333 18864 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18864 88 1 15 "Average Difference" CA 94 1.152 -0.095 1.155 18864 89 1 15 "Average Difference" CB 82 1.409 -0.563 1.300 18864 90 1 15 "Average Difference" HN 86 0.651 0.063 0.652 18864 91 1 16 "Average Difference" N 86 3.031 0.678 2.972 18864 92 1 16 "Average Difference" HA 106 0.343 -0.112 0.325 18864 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18864 94 1 16 "Average Difference" CA 94 1.166 -0.149 1.162 18864 95 1 16 "Average Difference" CB 82 1.479 -0.627 1.348 18864 96 1 16 "Average Difference" HN 86 0.661 0.033 0.664 18864 97 1 17 "Average Difference" N 86 3.246 0.549 3.218 18864 98 1 17 "Average Difference" HA 106 0.352 -0.116 0.334 18864 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18864 100 1 17 "Average Difference" CA 94 1.238 -0.053 1.244 18864 101 1 17 "Average Difference" CB 82 1.438 -0.615 1.308 18864 102 1 17 "Average Difference" HN 86 0.642 0.023 0.646 18864 103 1 18 "Average Difference" N 86 3.302 0.580 3.269 18864 104 1 18 "Average Difference" HA 106 0.350 -0.123 0.329 18864 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18864 106 1 18 "Average Difference" CA 94 1.239 -0.065 1.244 18864 107 1 18 "Average Difference" CB 82 1.442 -0.600 1.319 18864 108 1 18 "Average Difference" HN 86 0.658 0.046 0.660 18864 109 1 19 "Average Difference" N 86 3.207 0.664 3.156 18864 110 1 19 "Average Difference" HA 106 0.353 -0.136 0.328 18864 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18864 112 1 19 "Average Difference" CA 94 1.229 -0.046 1.235 18864 113 1 19 "Average Difference" CB 82 1.394 -0.665 1.232 18864 114 1 19 "Average Difference" HN 86 0.642 0.022 0.645 18864 115 1 20 "Average Difference" N 86 3.205 0.705 3.145 18864 116 1 20 "Average Difference" HA 106 0.345 -0.112 0.328 18864 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18864 118 1 20 "Average Difference" CA 94 1.180 0.009 1.186 18864 119 1 20 "Average Difference" CB 82 1.404 -0.597 1.278 18864 120 1 20 "Average Difference" HN 86 0.642 0.043 0.644 18864 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 18864 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.470 4.470 4.499 -0.029 18864 2 1 . 1 1 2 2 PRO CA C 2 63.246 63.246 62.632 0.614 18864 3 1 . 1 1 2 2 PRO CB C 2 32.388 32.388 32.408 -0.020 18864 4 1 . 1 1 3 3 MET HA H 3 4.476 4.476 4.311 0.165 18864 5 1 . 1 1 3 3 MET CA C 3 56.002 56.002 56.349 -0.347 18864 6 1 . 1 1 3 3 MET CB C 3 32.025 32.025 32.999 -0.974 18864 7 1 . 1 1 4 4 GLY CA C 4 45.433 45.433 45.116 0.317 18864 8 1 . 1 1 5 5 SER HA H 5 4.427 4.427 4.324 0.103 18864 9 1 . 1 1 5 5 SER CA C 5 58.631 58.631 57.981 0.650 18864 10 1 . 1 1 5 5 SER CB C 5 64.117 64.117 63.827 0.290 18864 11 1 . 1 1 7 7 ALA HA H 7 4.425 4.425 4.253 0.172 18864 12 1 . 1 1 7 7 ALA CA C 7 52.645 52.645 53.179 -0.534 18864 13 1 . 1 1 7 7 ALA CB C 7 19.616 19.616 18.133 1.483 18864 14 1 . 1 1 8 8 ASP N N 8 119.103 119.103 118.203 0.900 18864 15 1 . 1 1 8 8 ASP HA H 8 4.621 4.621 4.526 0.095 18864 16 1 . 1 1 8 8 ASP CA C 8 55.170 55.170 55.892 -0.722 18864 17 1 . 1 1 8 8 ASP CB C 8 41.375 41.375 40.967 0.408 18864 18 1 . 1 1 8 8 ASP H H 8 8.353 8.353 8.336 0.017 18864 19 1 . 1 1 9 9 LYS N N 9 117.781 117.781 117.928 -0.147 18864 20 1 . 1 1 9 9 LYS HA H 9 4.966 4.966 4.612 0.354 18864 21 1 . 1 1 9 9 LYS CA C 9 55.367 55.367 55.275 0.092 18864 22 1 . 1 1 9 9 LYS CB C 9 36.080 36.080 34.622 1.458 18864 23 1 . 1 1 9 9 LYS H H 9 7.858 7.858 7.512 0.346 18864 24 1 . 1 1 10 10 ILE N N 10 114.675 114.675 121.002 -6.327 18864 25 1 . 1 1 10 10 ILE HA H 10 4.514 4.514 4.007 0.507 18864 26 1 . 1 1 10 10 ILE CA C 10 59.560 59.560 58.762 0.798 18864 27 1 . 1 1 10 10 ILE CB C 10 42.395 42.395 38.210 4.185 18864 28 1 . 1 1 10 10 ILE H H 10 8.254 8.254 8.393 -0.139 18864 29 1 . 1 1 11 11 LYS N N 11 121.626 121.626 127.959 -6.333 18864 30 1 . 1 1 11 11 LYS HA H 11 4.791 4.791 4.521 0.269 18864 31 1 . 1 1 11 11 LYS CA C 11 53.911 53.911 56.214 -2.303 18864 32 1 . 1 1 11 11 LYS CB C 11 33.603 33.603 31.794 1.809 18864 33 1 . 1 1 11 11 LYS H H 11 7.974 7.974 8.626 -0.652 18864 34 1 . 1 1 12 12 CYS N N 12 118.054 118.054 123.450 -5.396 18864 35 1 . 1 1 12 12 CYS HA H 12 5.638 5.638 5.287 0.351 18864 36 1 . 1 1 12 12 CYS CA C 12 56.658 56.658 56.320 0.338 18864 37 1 . 1 1 12 12 CYS CB C 12 33.625 33.625 31.254 2.372 18864 38 1 . 1 1 12 12 CYS H H 12 7.256 7.256 9.291 -2.035 18864 39 1 . 1 1 13 13 SER N N 13 117.042 117.042 116.178 0.864 18864 40 1 . 1 1 13 13 SER HA H 13 5.625 5.625 5.689 -0.064 18864 41 1 . 1 1 13 13 SER CA C 13 56.017 56.017 57.209 -1.192 18864 42 1 . 1 1 13 13 SER CB C 13 66.920 66.920 65.729 1.191 18864 43 1 . 1 1 13 13 SER H H 13 9.186 9.186 9.016 0.170 18864 44 1 . 1 1 14 14 HIS N N 14 119.162 119.162 121.022 -1.860 18864 45 1 . 1 1 14 14 HIS HA H 14 6.410 6.410 6.181 0.229 18864 46 1 . 1 1 14 14 HIS CA C 14 54.594 54.594 54.106 0.488 18864 47 1 . 1 1 14 14 HIS CB C 14 37.623 37.623 34.130 3.493 18864 48 1 . 1 1 14 14 HIS H H 14 9.902 9.902 9.489 0.413 18864 49 1 . 1 1 15 15 ILE N N 15 121.809 121.809 121.542 0.267 18864 50 1 . 1 1 15 15 ILE HA H 15 3.437 3.437 4.096 -0.659 18864 51 1 . 1 1 15 15 ILE CA C 15 61.876 61.876 59.868 2.008 18864 52 1 . 1 1 15 15 ILE CB C 15 41.793 41.793 41.291 0.502 18864 53 1 . 1 1 15 15 ILE H H 15 8.913 8.913 9.164 -0.251 18864 54 1 . 1 1 16 16 LEU N N 16 129.008 129.008 129.976 -0.968 18864 55 1 . 1 1 16 16 LEU HA H 16 5.018 5.018 5.064 -0.046 18864 56 1 . 1 1 16 16 LEU CA C 16 52.663 52.663 53.491 -0.829 18864 57 1 . 1 1 16 16 LEU CB C 16 45.016 45.016 43.543 1.473 18864 58 1 . 1 1 16 16 LEU H H 16 7.632 7.632 8.421 -0.789 18864 59 1 . 1 1 17 17 VAL N N 17 117.991 117.991 120.769 -2.778 18864 60 1 . 1 1 17 17 VAL HA H 17 4.959 4.959 4.639 0.320 18864 61 1 . 1 1 17 17 VAL CA C 17 58.841 58.841 59.297 -0.456 18864 62 1 . 1 1 17 17 VAL CB C 17 34.789 34.789 35.156 -0.367 18864 63 1 . 1 1 17 17 VAL H H 17 9.025 9.025 9.205 -0.180 18864 64 1 . 1 1 18 18 LYS N N 18 119.296 119.296 121.238 -1.942 18864 65 1 . 1 1 18 18 LYS HA H 18 4.401 4.401 4.209 0.192 18864 66 1 . 1 1 18 18 LYS CA C 18 59.373 59.373 58.937 0.436 18864 67 1 . 1 1 18 18 LYS CB C 18 34.310 34.310 32.892 1.418 18864 68 1 . 1 1 18 18 LYS H H 18 8.781 8.781 8.607 0.174 18864 69 1 . 1 1 19 19 LYS N N 19 114.107 114.107 118.449 -4.342 18864 70 1 . 1 1 19 19 LYS HA H 19 4.835 4.835 4.470 0.365 18864 71 1 . 1 1 19 19 LYS CA C 19 54.725 54.725 54.493 0.232 18864 72 1 . 1 1 19 19 LYS CB C 19 35.804 35.804 34.425 1.379 18864 73 1 . 1 1 19 19 LYS H H 19 8.023 8.023 7.970 0.053 18864 74 1 . 1 1 20 20 GLN N N 20 125.662 125.662 122.556 3.106 18864 75 1 . 1 1 20 20 GLN HA H 20 4.854 4.854 3.619 1.235 18864 76 1 . 1 1 20 20 GLN CA C 20 59.435 59.435 59.552 -0.117 18864 77 1 . 1 1 20 20 GLN CB C 20 27.969 27.969 28.128 -0.159 18864 78 1 . 1 1 20 20 GLN H H 20 8.795 8.795 8.611 0.184 18864 79 1 . 1 1 21 21 GLY CA C 21 46.997 46.997 46.891 0.106 18864 80 1 . 1 1 22 22 GLU N N 22 119.712 119.712 122.464 -2.752 18864 81 1 . 1 1 22 22 GLU HA H 22 4.115 4.115 3.987 0.128 18864 82 1 . 1 1 22 22 GLU CA C 22 58.122 58.122 59.313 -1.191 18864 83 1 . 1 1 22 22 GLU CB C 22 29.716 29.716 29.358 0.358 18864 84 1 . 1 1 22 22 GLU H H 22 6.765 6.765 7.966 -1.201 18864 85 1 . 1 1 23 23 ALA N N 23 124.106 124.106 123.146 0.960 18864 86 1 . 1 1 23 23 ALA HA H 23 3.768 3.768 3.980 -0.212 18864 87 1 . 1 1 23 23 ALA CA C 23 54.905 54.905 55.410 -0.505 18864 88 1 . 1 1 23 23 ALA CB C 23 17.803 17.803 18.436 -0.633 18864 89 1 . 1 1 23 23 ALA H H 23 7.461 7.461 7.980 -0.519 18864 90 1 . 1 1 24 24 LEU N N 24 118.772 118.772 119.381 -0.609 18864 91 1 . 1 1 24 24 LEU HA H 24 4.179 4.179 4.129 0.050 18864 92 1 . 1 1 24 24 LEU CA C 24 57.837 57.837 57.645 0.192 18864 93 1 . 1 1 24 24 LEU CB C 24 41.204 41.204 41.040 0.164 18864 94 1 . 1 1 24 24 LEU H H 24 7.989 7.989 8.490 -0.501 18864 95 1 . 1 1 25 25 ALA N N 25 121.590 121.590 122.532 -0.941 18864 96 1 . 1 1 25 25 ALA HA H 25 4.196 4.196 3.985 0.211 18864 97 1 . 1 1 25 25 ALA CA C 25 55.196 55.196 55.409 -0.213 18864 98 1 . 1 1 25 25 ALA CB C 25 17.897 17.897 18.290 -0.393 18864 99 1 . 1 1 25 25 ALA H H 25 7.472 7.472 8.473 -1.001 18864 100 1 . 1 1 26 26 VAL N N 26 118.603 118.603 116.195 2.408 18864 101 1 . 1 1 26 26 VAL HA H 26 3.270 3.270 3.569 -0.299 18864 102 1 . 1 1 26 26 VAL CA C 26 67.307 67.307 65.824 1.483 18864 103 1 . 1 1 26 26 VAL CB C 26 31.412 31.412 30.519 0.893 18864 104 1 . 1 1 26 26 VAL H H 26 7.633 7.633 8.223 -0.590 18864 105 1 . 1 1 27 27 GLN N N 27 117.799 117.799 120.552 -2.753 18864 106 1 . 1 1 27 27 GLN HA H 27 3.956 3.956 3.968 -0.012 18864 107 1 . 1 1 27 27 GLN CA C 27 60.299 60.299 59.572 0.727 18864 108 1 . 1 1 27 27 GLN CB C 27 29.820 29.820 28.512 1.308 18864 109 1 . 1 1 27 27 GLN H H 27 8.000 8.000 8.363 -0.363 18864 110 1 . 1 1 28 28 GLU N N 28 118.775 118.775 119.199 -0.424 18864 111 1 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.063 -0.046 18864 112 1 . 1 1 28 28 GLU CA C 28 59.575 59.575 58.930 0.645 18864 113 1 . 1 1 28 28 GLU CB C 28 29.610 29.610 29.423 0.187 18864 114 1 . 1 1 28 28 GLU H H 28 8.107 8.107 8.531 -0.424 18864 115 1 . 1 1 29 29 ARG N N 29 121.360 121.360 120.431 0.929 18864 116 1 . 1 1 29 29 ARG HA H 29 4.126 4.126 4.055 0.071 18864 117 1 . 1 1 29 29 ARG CA C 29 60.074 60.074 59.090 0.984 18864 118 1 . 1 1 29 29 ARG CB C 29 31.381 31.381 30.109 1.272 18864 119 1 . 1 1 29 29 ARG H H 29 8.084 8.084 8.169 -0.085 18864 120 1 . 1 1 30 30 LEU N N 30 120.289 120.289 119.771 0.518 18864 121 1 . 1 1 30 30 LEU HA H 30 4.335 4.335 4.257 0.078 18864 122 1 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.835 -0.162 18864 123 1 . 1 1 30 30 LEU CB C 30 41.740 41.740 41.184 0.557 18864 124 1 . 1 1 30 30 LEU H H 30 8.379 8.379 8.711 -0.332 18864 125 1 . 1 1 31 31 LYS N N 31 122.554 122.554 118.615 3.939 18864 126 1 . 1 1 31 31 LYS HA H 31 4.053 4.053 4.087 -0.034 18864 127 1 . 1 1 31 31 LYS CA C 31 59.429 59.429 58.193 1.236 18864 128 1 . 1 1 31 31 LYS CB C 31 32.319 32.319 31.462 0.857 18864 129 1 . 1 1 31 31 LYS H H 31 8.280 8.280 7.680 0.600 18864 130 1 . 1 1 32 32 ALA N N 32 119.271 119.271 119.537 -0.266 18864 131 1 . 1 1 32 32 ALA HA H 32 4.378 4.378 4.254 0.124 18864 132 1 . 1 1 32 32 ALA CA C 32 52.576 52.576 52.685 -0.109 18864 133 1 . 1 1 32 32 ALA CB C 32 18.821 18.821 19.111 -0.290 18864 134 1 . 1 1 32 32 ALA H H 32 7.557 7.557 7.798 -0.241 18864 135 1 . 1 1 33 33 GLY N N 33 105.104 105.104 105.757 -0.653 18864 136 1 . 1 1 33 33 GLY CA C 33 44.745 44.745 44.667 0.078 18864 137 1 . 1 1 33 33 GLY H H 33 7.758 7.758 7.962 -0.204 18864 138 1 . 1 1 34 34 GLU N N 34 121.024 121.024 120.512 0.512 18864 139 1 . 1 1 34 34 GLU HA H 34 4.279 4.279 4.329 -0.050 18864 140 1 . 1 1 34 34 GLU CA C 34 58.172 58.172 56.153 2.019 18864 141 1 . 1 1 34 34 GLU CB C 34 30.736 30.736 30.635 0.101 18864 142 1 . 1 1 34 34 GLU H H 34 7.871 7.871 7.817 0.054 18864 143 1 . 1 1 35 35 LYS N N 35 121.214 121.214 121.827 -0.613 18864 144 1 . 1 1 35 35 LYS HA H 35 4.265 4.265 4.294 -0.029 18864 145 1 . 1 1 35 35 LYS CA C 35 56.317 56.317 56.579 -0.261 18864 146 1 . 1 1 35 35 LYS CB C 35 33.062 33.062 33.001 0.061 18864 147 1 . 1 1 35 35 LYS H H 35 8.776 8.776 8.522 0.254 18864 148 1 . 1 1 36 36 PHE N N 36 125.726 125.726 126.295 -0.569 18864 149 1 . 1 1 36 36 PHE HA H 36 3.643 3.643 4.198 -0.555 18864 150 1 . 1 1 36 36 PHE CA C 36 62.830 62.830 62.113 0.717 18864 151 1 . 1 1 36 36 PHE CB C 36 40.295 40.295 39.151 1.144 18864 152 1 . 1 1 36 36 PHE H H 36 8.972 8.972 8.980 -0.008 18864 153 1 . 1 1 37 37 GLY N N 37 103.959 103.959 106.180 -2.221 18864 154 1 . 1 1 37 37 GLY CA C 37 47.345 47.345 47.016 0.329 18864 155 1 . 1 1 37 37 GLY H H 37 9.123 9.123 8.798 0.325 18864 156 1 . 1 1 38 38 LYS N N 38 120.432 120.432 122.441 -2.009 18864 157 1 . 1 1 38 38 LYS HA H 38 4.058 4.058 4.030 0.028 18864 158 1 . 1 1 38 38 LYS CA C 38 59.029 59.029 59.173 -0.144 18864 159 1 . 1 1 38 38 LYS CB C 38 32.655 32.655 32.307 0.348 18864 160 1 . 1 1 38 38 LYS H H 38 6.683 6.683 7.778 -1.095 18864 161 1 . 1 1 39 39 LEU N N 39 119.598 119.598 119.271 0.327 18864 162 1 . 1 1 39 39 LEU HA H 39 3.907 3.907 4.008 -0.101 18864 163 1 . 1 1 39 39 LEU CA C 39 57.614 57.614 57.660 -0.046 18864 164 1 . 1 1 39 39 LEU CB C 39 41.744 41.744 40.591 1.153 18864 165 1 . 1 1 39 39 LEU H H 39 7.754 7.754 8.027 -0.273 18864 166 1 . 1 1 40 40 ALA N N 40 121.385 121.385 122.808 -1.423 18864 167 1 . 1 1 40 40 ALA HA H 40 3.772 3.772 3.939 -0.167 18864 168 1 . 1 1 40 40 ALA CA C 40 55.875 55.875 54.949 0.926 18864 169 1 . 1 1 40 40 ALA CB C 40 17.185 17.185 18.379 -1.194 18864 170 1 . 1 1 40 40 ALA H H 40 8.437 8.437 8.379 0.058 18864 171 1 . 1 1 41 41 LYS N N 41 116.991 116.991 117.535 -0.544 18864 172 1 . 1 1 41 41 LYS HA H 41 3.922 3.922 4.058 -0.136 18864 173 1 . 1 1 41 41 LYS CA C 41 59.759 59.759 58.934 0.824 18864 174 1 . 1 1 41 41 LYS CB C 41 32.611 32.611 32.365 0.246 18864 175 1 . 1 1 41 41 LYS H H 41 7.681 7.681 8.304 -0.623 18864 176 1 . 1 1 42 42 GLU N N 42 117.121 117.121 117.891 -0.770 18864 177 1 . 1 1 42 42 GLU HA H 42 4.028 4.028 4.138 -0.110 18864 178 1 . 1 1 42 42 GLU CA C 42 59.060 59.060 58.566 0.494 18864 179 1 . 1 1 42 42 GLU CB C 42 31.495 31.495 30.222 1.273 18864 180 1 . 1 1 42 42 GLU H H 42 7.796 7.796 7.971 -0.175 18864 181 1 . 1 1 43 43 LEU N N 43 112.754 112.754 116.801 -4.047 18864 182 1 . 1 1 43 43 LEU HA H 43 4.539 4.539 4.447 0.092 18864 183 1 . 1 1 43 43 LEU CA C 43 55.177 55.177 55.359 -0.182 18864 184 1 . 1 1 43 43 LEU CB C 43 45.062 45.062 43.214 1.848 18864 185 1 . 1 1 43 43 LEU H H 43 8.305 8.305 8.120 0.185 18864 186 1 . 1 1 44 44 SER N N 44 110.514 110.514 114.965 -4.451 18864 187 1 . 1 1 44 44 SER HA H 44 4.707 4.707 4.422 0.285 18864 188 1 . 1 1 44 44 SER CA C 44 57.490 57.490 59.696 -2.207 18864 189 1 . 1 1 44 44 SER CB C 44 65.461 65.461 63.617 1.844 18864 190 1 . 1 1 44 44 SER H H 44 8.255 8.255 7.508 0.748 18864 191 1 . 1 1 45 45 ILE N N 45 120.438 120.438 116.826 3.612 18864 192 1 . 1 1 45 45 ILE HA H 45 4.419 4.419 4.213 0.206 18864 193 1 . 1 1 45 45 ILE CA C 45 61.859 61.859 60.854 1.005 18864 194 1 . 1 1 45 45 ILE CB C 45 37.129 37.129 38.220 -1.091 18864 195 1 . 1 1 45 45 ILE H H 45 9.238 9.238 8.561 0.677 18864 196 1 . 1 1 46 46 ASP N N 46 120.068 120.068 122.199 -2.131 18864 197 1 . 1 1 46 46 ASP HA H 46 4.378 4.378 4.669 -0.291 18864 198 1 . 1 1 46 46 ASP CA C 46 52.752 52.752 53.070 -0.318 18864 199 1 . 1 1 46 46 ASP CB C 46 40.416 40.416 40.957 -0.540 18864 200 1 . 1 1 46 46 ASP H H 46 7.488 7.488 7.595 -0.107 18864 201 1 . 1 1 47 47 GLY N N 47 114.910 114.910 113.526 1.384 18864 202 1 . 1 1 47 47 GLY CA C 47 47.318 47.318 46.927 0.391 18864 203 1 . 1 1 47 47 GLY H H 47 8.562 8.562 8.218 0.344 18864 204 1 . 1 1 48 48 GLY N N 48 106.725 106.725 109.790 -3.065 18864 205 1 . 1 1 48 48 GLY CA C 48 46.626 46.626 47.129 -0.503 18864 206 1 . 1 1 48 48 GLY H H 48 8.328 8.328 8.297 0.031 18864 207 1 . 1 1 49 49 SER N N 49 110.646 110.646 118.385 -7.739 18864 208 1 . 1 1 49 49 SER HA H 49 4.560 4.560 4.245 0.315 18864 209 1 . 1 1 49 49 SER CA C 49 59.559 59.559 61.750 -2.191 18864 210 1 . 1 1 49 49 SER CB C 49 65.469 65.469 63.014 2.455 18864 211 1 . 1 1 49 49 SER H H 49 7.255 7.255 8.515 -1.260 18864 212 1 . 1 1 50 50 ALA N N 50 130.821 130.821 125.617 5.204 18864 213 1 . 1 1 50 50 ALA HA H 50 3.826 3.826 4.056 -0.230 18864 214 1 . 1 1 50 50 ALA CA C 50 56.870 56.870 54.999 1.871 18864 215 1 . 1 1 50 50 ALA CB C 50 19.385 19.385 18.169 1.216 18864 216 1 . 1 1 50 50 ALA H H 50 8.571 8.571 8.246 0.325 18864 217 1 . 1 1 51 51 LYS N N 51 110.700 110.700 117.612 -6.912 18864 218 1 . 1 1 51 51 LYS HA H 51 4.237 4.237 4.087 0.150 18864 219 1 . 1 1 51 51 LYS CA C 51 57.587 57.587 58.628 -1.041 18864 220 1 . 1 1 51 51 LYS CB C 51 32.118 32.118 32.317 -0.199 18864 221 1 . 1 1 51 51 LYS H H 51 7.761 7.761 8.391 -0.630 18864 222 1 . 1 1 52 52 ARG N N 52 120.280 120.280 117.735 2.545 18864 223 1 . 1 1 52 52 ARG HA H 52 4.787 4.787 4.462 0.325 18864 224 1 . 1 1 52 52 ARG CA C 52 54.202 54.202 55.326 -1.124 18864 225 1 . 1 1 52 52 ARG CB C 52 29.504 29.504 30.134 -0.629 18864 226 1 . 1 1 52 52 ARG H H 52 7.650 7.650 7.711 -0.061 18864 227 1 . 1 1 53 53 ASP N N 53 117.809 117.809 117.959 -0.150 18864 228 1 . 1 1 53 53 ASP HA H 53 4.401 4.401 4.353 0.048 18864 229 1 . 1 1 53 53 ASP CA C 53 56.347 56.347 55.511 0.836 18864 230 1 . 1 1 53 53 ASP CB C 53 38.622 38.622 39.026 -0.404 18864 231 1 . 1 1 53 53 ASP H H 53 8.157 8.157 8.214 -0.057 18864 232 1 . 1 1 54 54 GLY N N 54 104.041 104.041 104.816 -0.775 18864 233 1 . 1 1 54 54 GLY CA C 54 45.628 45.628 46.163 -0.535 18864 234 1 . 1 1 54 54 GLY H H 54 8.279 8.279 9.090 -0.811 18864 235 1 . 1 1 55 55 SER N N 55 113.436 113.436 119.230 -5.794 18864 236 1 . 1 1 55 55 SER HA H 55 4.578 4.578 4.381 0.197 18864 237 1 . 1 1 55 55 SER CA C 55 59.851 59.851 58.791 1.060 18864 238 1 . 1 1 55 55 SER CB C 55 64.102 64.102 62.160 1.942 18864 239 1 . 1 1 55 55 SER H H 55 7.524 7.524 8.198 -0.674 18864 240 1 . 1 1 56 56 LEU N N 56 126.328 126.328 124.732 1.596 18864 241 1 . 1 1 56 56 LEU HA H 56 4.491 4.491 4.009 0.482 18864 242 1 . 1 1 56 56 LEU CA C 56 54.138 54.138 56.704 -2.566 18864 243 1 . 1 1 56 56 LEU CB C 56 43.260 43.260 42.103 1.157 18864 244 1 . 1 1 56 56 LEU H H 56 8.818 8.818 8.416 0.402 18864 245 1 . 1 1 57 57 GLY N N 57 107.077 107.077 104.054 3.023 18864 246 1 . 1 1 57 57 GLY CA C 57 45.195 45.195 44.657 0.538 18864 247 1 . 1 1 57 57 GLY H H 57 8.072 8.072 8.000 0.072 18864 248 1 . 1 1 58 58 TYR N N 58 115.734 115.734 120.976 -5.242 18864 249 1 . 1 1 58 58 TYR HA H 58 5.191 5.191 4.879 0.312 18864 250 1 . 1 1 58 58 TYR CA C 58 57.850 57.850 56.699 1.151 18864 251 1 . 1 1 58 58 TYR CB C 58 40.674 40.674 38.476 2.198 18864 252 1 . 1 1 58 58 TYR H H 58 8.348 8.348 7.957 0.391 18864 253 1 . 1 1 59 59 PHE N N 59 118.174 118.174 119.173 -0.999 18864 254 1 . 1 1 59 59 PHE HA H 59 5.037 5.037 4.961 0.076 18864 255 1 . 1 1 59 59 PHE CA C 59 56.315 56.315 56.172 0.143 18864 256 1 . 1 1 59 59 PHE CB C 59 41.590 41.590 41.682 -0.092 18864 257 1 . 1 1 59 59 PHE H H 59 9.136 9.136 8.143 0.994 18864 258 1 . 1 1 60 60 GLY N N 60 106.839 106.839 108.233 -1.394 18864 259 1 . 1 1 60 60 GLY CA C 60 43.161 43.161 43.563 -0.402 18864 260 1 . 1 1 60 60 GLY H H 60 8.594 8.594 8.579 0.015 18864 261 1 . 1 1 61 61 ARG N N 61 119.161 119.161 119.722 -0.561 18864 262 1 . 1 1 61 61 ARG HA H 61 4.003 4.003 4.341 -0.338 18864 263 1 . 1 1 61 61 ARG CA C 61 57.419 57.419 57.248 0.171 18864 264 1 . 1 1 61 61 ARG CB C 61 30.298 30.298 30.764 -0.466 18864 265 1 . 1 1 61 61 ARG H H 61 8.833 8.833 8.621 0.212 18864 266 1 . 1 1 62 62 GLY N N 62 112.714 112.714 112.970 -0.256 18864 267 1 . 1 1 62 62 GLY CA C 62 45.501 45.501 45.601 -0.100 18864 268 1 . 1 1 62 62 GLY H H 62 10.418 10.418 9.923 0.495 18864 269 1 . 1 1 63 63 LYS N N 63 120.687 120.687 120.858 -0.171 18864 270 1 . 1 1 63 63 LYS HA H 63 4.386 4.386 4.188 0.198 18864 271 1 . 1 1 63 63 LYS CA C 63 57.120 57.120 57.726 -0.607 18864 272 1 . 1 1 63 63 LYS CB C 63 34.862 34.862 32.889 1.973 18864 273 1 . 1 1 63 63 LYS H H 63 7.706 7.706 8.172 -0.466 18864 274 1 . 1 1 64 64 MET N N 64 117.704 117.704 117.528 0.176 18864 275 1 . 1 1 64 64 MET HA H 64 4.608 4.608 4.341 0.267 18864 276 1 . 1 1 64 64 MET CA C 64 51.959 51.959 53.165 -1.206 18864 277 1 . 1 1 64 64 MET CB C 64 33.012 33.012 33.877 -0.865 18864 278 1 . 1 1 64 64 MET H H 64 9.046 9.046 8.056 0.990 18864 279 1 . 1 1 65 65 VAL N N 65 113.540 113.540 118.154 -4.614 18864 280 1 . 1 1 65 65 VAL HA H 65 4.213 4.213 4.062 0.151 18864 281 1 . 1 1 65 65 VAL CA C 65 62.340 62.340 62.059 0.281 18864 282 1 . 1 1 65 65 VAL CB C 65 32.801 32.801 32.827 -0.026 18864 283 1 . 1 1 65 65 VAL H H 65 8.043 8.043 8.101 -0.058 18864 284 1 . 1 1 66 66 LYS N N 66 124.592 124.592 126.454 -1.862 18864 285 1 . 1 1 66 66 LYS HA H 66 4.203 4.203 4.230 -0.027 18864 286 1 . 1 1 66 66 LYS CA C 66 61.422 61.422 61.199 0.223 18864 287 1 . 1 1 66 66 LYS CB C 66 30.433 30.433 30.018 0.415 18864 288 1 . 1 1 66 66 LYS H H 66 8.877 8.877 8.960 -0.083 18864 289 1 . 1 1 67 67 PRO HA H 67 4.451 4.451 4.262 0.189 18864 290 1 . 1 1 67 67 PRO CA C 67 66.049 66.049 65.910 0.139 18864 291 1 . 1 1 67 67 PRO CB C 67 31.251 31.251 31.320 -0.069 18864 292 1 . 1 1 68 68 PHE N N 68 115.149 115.149 119.571 -4.422 18864 293 1 . 1 1 68 68 PHE HA H 68 3.687 3.687 4.016 -0.329 18864 294 1 . 1 1 68 68 PHE CA C 68 60.756 60.756 61.831 -1.075 18864 295 1 . 1 1 68 68 PHE CB C 68 40.182 40.182 38.951 1.231 18864 296 1 . 1 1 68 68 PHE H H 68 6.997 6.997 7.938 -0.941 18864 297 1 . 1 1 69 69 GLU N N 69 119.933 119.933 119.311 0.622 18864 298 1 . 1 1 69 69 GLU HA H 69 3.996 3.996 4.052 -0.056 18864 299 1 . 1 1 69 69 GLU CA C 69 60.964 60.964 60.002 0.962 18864 300 1 . 1 1 69 69 GLU CB C 69 30.925 30.925 29.564 1.361 18864 301 1 . 1 1 69 69 GLU H H 69 8.562 8.562 8.424 0.138 18864 302 1 . 1 1 70 70 ASP N N 70 116.956 116.956 120.299 -3.343 18864 303 1 . 1 1 70 70 ASP HA H 70 4.385 4.385 4.504 -0.119 18864 304 1 . 1 1 70 70 ASP CA C 70 57.173 57.173 57.539 -0.366 18864 305 1 . 1 1 70 70 ASP CB C 70 40.188 40.188 40.764 -0.576 18864 306 1 . 1 1 70 70 ASP H H 70 9.074 9.074 8.621 0.453 18864 307 1 . 1 1 71 71 ALA N N 71 117.745 117.745 121.560 -3.815 18864 308 1 . 1 1 71 71 ALA HA H 71 4.172 4.172 4.010 0.162 18864 309 1 . 1 1 71 71 ALA CA C 71 54.315 54.315 55.025 -0.710 18864 310 1 . 1 1 71 71 ALA CB C 71 20.502 20.502 18.346 2.156 18864 311 1 . 1 1 71 71 ALA H H 71 6.888 6.888 8.008 -1.120 18864 312 1 . 1 1 72 72 ALA N N 72 120.783 120.783 121.827 -1.044 18864 313 1 . 1 1 72 72 ALA HA H 72 3.746 3.746 3.839 -0.093 18864 314 1 . 1 1 72 72 ALA CA C 72 55.393 55.393 54.743 0.650 18864 315 1 . 1 1 72 72 ALA CB C 72 19.084 19.084 18.599 0.485 18864 316 1 . 1 1 72 72 ALA H H 72 8.860 8.860 7.920 0.940 18864 317 1 . 1 1 73 73 PHE N N 73 110.353 110.353 116.507 -6.154 18864 318 1 . 1 1 73 73 PHE HA H 73 4.021 4.021 4.184 -0.163 18864 319 1 . 1 1 73 73 PHE CA C 73 61.566 61.566 61.726 -0.160 18864 320 1 . 1 1 73 73 PHE CB C 73 38.327 38.327 38.676 -0.349 18864 321 1 . 1 1 73 73 PHE H H 73 8.275 8.275 8.283 -0.008 18864 322 1 . 1 1 74 74 ARG N N 74 116.189 116.189 119.041 -2.852 18864 323 1 . 1 1 74 74 ARG HA H 74 4.474 4.474 4.120 0.354 18864 324 1 . 1 1 74 74 ARG CA C 74 56.367 56.367 59.078 -2.711 18864 325 1 . 1 1 74 74 ARG CB C 74 31.700 31.700 30.314 1.386 18864 326 1 . 1 1 74 74 ARG H H 74 7.047 7.047 7.931 -0.884 18864 327 1 . 1 1 75 75 LEU N N 75 119.425 119.425 118.171 1.254 18864 328 1 . 1 1 75 75 LEU HA H 75 4.279 4.279 4.528 -0.249 18864 329 1 . 1 1 75 75 LEU CA C 75 55.001 55.001 53.972 1.029 18864 330 1 . 1 1 75 75 LEU CB C 75 43.145 43.145 40.794 2.352 18864 331 1 . 1 1 75 75 LEU H H 75 7.033 7.033 7.823 -0.790 18864 332 1 . 1 1 76 76 GLN N N 76 121.205 121.205 120.133 1.072 18864 333 1 . 1 1 76 76 GLN HA H 76 4.407 4.407 3.886 0.521 18864 334 1 . 1 1 76 76 GLN CA C 76 54.459 54.459 58.981 -4.522 18864 335 1 . 1 1 76 76 GLN CB C 76 29.620 29.620 28.231 1.389 18864 336 1 . 1 1 76 76 GLN H H 76 9.087 9.087 7.724 1.363 18864 337 1 . 1 1 77 77 VAL N N 77 121.809 121.809 117.031 4.779 18864 338 1 . 1 1 77 77 VAL HA H 77 4.403 4.403 3.767 0.636 18864 339 1 . 1 1 77 77 VAL CA C 77 67.583 67.583 64.287 3.296 18864 340 1 . 1 1 77 77 VAL CB C 77 28.616 28.616 31.767 -3.151 18864 341 1 . 1 1 77 77 VAL H H 77 8.901 8.901 7.870 1.031 18864 342 1 . 1 1 78 78 GLY N N 78 117.559 117.559 106.459 11.100 18864 343 1 . 1 1 78 78 GLY CA C 78 45.133 45.133 44.570 0.563 18864 344 1 . 1 1 78 78 GLY H H 78 9.049 9.049 8.193 0.856 18864 345 1 . 1 1 79 79 GLU N N 79 122.304 122.304 120.298 2.006 18864 346 1 . 1 1 79 79 GLU HA H 79 4.267 4.267 4.463 -0.196 18864 347 1 . 1 1 79 79 GLU CA C 79 56.547 56.547 55.802 0.745 18864 348 1 . 1 1 79 79 GLU CB C 79 32.290 32.290 31.636 0.654 18864 349 1 . 1 1 79 79 GLU H H 79 8.093 8.093 7.836 0.257 18864 350 1 . 1 1 80 80 VAL N N 80 122.253 122.253 120.794 1.459 18864 351 1 . 1 1 80 80 VAL HA H 80 5.046 5.046 4.344 0.702 18864 352 1 . 1 1 80 80 VAL CA C 80 60.322 60.322 61.643 -1.321 18864 353 1 . 1 1 80 80 VAL CB C 80 33.557 33.557 32.609 0.948 18864 354 1 . 1 1 80 80 VAL H H 80 8.133 8.133 8.369 -0.236 18864 355 1 . 1 1 81 81 SER N N 81 125.484 125.484 123.507 1.977 18864 356 1 . 1 1 81 81 SER HA H 81 4.346 4.346 4.432 -0.086 18864 357 1 . 1 1 81 81 SER CA C 81 59.316 59.316 58.135 1.181 18864 358 1 . 1 1 81 81 SER CB C 81 65.988 65.988 64.030 1.958 18864 359 1 . 1 1 81 81 SER H H 81 9.927 9.927 8.925 1.002 18864 360 1 . 1 1 82 82 GLU N N 82 116.381 116.381 121.085 -4.704 18864 361 1 . 1 1 82 82 GLU HA H 82 4.623 4.623 4.458 0.165 18864 362 1 . 1 1 82 82 GLU CA C 82 55.651 55.651 55.263 0.388 18864 363 1 . 1 1 82 82 GLU CB C 82 28.330 28.330 28.845 -0.515 18864 364 1 . 1 1 82 82 GLU H H 82 7.986 7.986 8.547 -0.561 18864 365 1 . 1 1 83 83 PRO HA H 83 4.733 4.733 4.465 0.268 18864 366 1 . 1 1 83 83 PRO CA C 83 63.682 63.682 63.525 0.157 18864 367 1 . 1 1 83 83 PRO CB C 83 31.442 31.442 31.957 -0.515 18864 368 1 . 1 1 84 84 VAL N N 84 127.594 127.594 125.752 1.842 18864 369 1 . 1 1 84 84 VAL HA H 84 4.361 4.361 4.351 0.010 18864 370 1 . 1 1 84 84 VAL CA C 84 61.251 61.251 60.864 0.387 18864 371 1 . 1 1 84 84 VAL CB C 84 35.610 35.610 33.699 1.911 18864 372 1 . 1 1 84 84 VAL H H 84 9.630 9.630 9.172 0.458 18864 373 1 . 1 1 85 85 LYS N N 85 130.184 130.184 130.037 0.147 18864 374 1 . 1 1 85 85 LYS HA H 85 4.280 4.280 4.449 -0.169 18864 375 1 . 1 1 85 85 LYS CA C 85 56.161 56.161 55.695 0.466 18864 376 1 . 1 1 85 85 LYS CB C 85 33.684 33.684 33.351 0.333 18864 377 1 . 1 1 85 85 LYS H H 85 8.827 8.827 8.787 0.040 18864 378 1 . 1 1 86 86 SER N N 86 125.071 125.071 121.643 3.428 18864 379 1 . 1 1 86 86 SER HA H 86 4.925 4.925 4.837 0.088 18864 380 1 . 1 1 86 86 SER CA C 86 56.939 56.939 56.745 0.194 18864 381 1 . 1 1 86 86 SER CB C 86 67.836 67.836 66.386 1.450 18864 382 1 . 1 1 86 86 SER H H 86 9.594 9.594 8.812 0.782 18864 383 1 . 1 1 87 87 GLU N N 87 118.510 118.510 119.630 -1.120 18864 384 1 . 1 1 87 87 GLU HA H 87 4.120 4.120 4.064 0.056 18864 385 1 . 1 1 87 87 GLU CA C 87 58.085 58.085 58.434 -0.349 18864 386 1 . 1 1 87 87 GLU CB C 87 29.380 29.380 29.256 0.124 18864 387 1 . 1 1 87 87 GLU H H 87 9.615 9.615 8.921 0.694 18864 388 1 . 1 1 88 88 PHE N N 88 118.385 118.385 118.621 -0.236 18864 389 1 . 1 1 88 88 PHE HA H 88 4.539 4.539 4.309 0.230 18864 390 1 . 1 1 88 88 PHE CA C 88 58.501 58.501 59.558 -1.057 18864 391 1 . 1 1 88 88 PHE CB C 88 40.159 40.159 39.748 0.411 18864 392 1 . 1 1 88 88 PHE H H 88 8.817 8.817 7.851 0.966 18864 393 1 . 1 1 89 89 GLY N N 89 107.269 107.269 103.940 3.329 18864 394 1 . 1 1 89 89 GLY CA C 89 45.088 45.088 44.878 0.210 18864 395 1 . 1 1 89 89 GLY H H 89 7.405 7.405 7.841 -0.436 18864 396 1 . 1 1 90 90 TYR N N 90 119.181 119.181 121.471 -2.290 18864 397 1 . 1 1 90 90 TYR HA H 90 5.080 5.080 5.572 -0.492 18864 398 1 . 1 1 90 90 TYR CA C 90 57.336 57.336 57.385 -0.050 18864 399 1 . 1 1 90 90 TYR CB C 90 41.829 41.829 40.564 1.265 18864 400 1 . 1 1 90 90 TYR H H 90 9.119 9.119 8.173 0.946 18864 401 1 . 1 1 91 91 HIS N N 91 120.399 120.399 121.973 -1.574 18864 402 1 . 1 1 91 91 HIS HA H 91 5.557 5.557 5.674 -0.117 18864 403 1 . 1 1 91 91 HIS CA C 91 54.446 54.446 54.171 0.275 18864 404 1 . 1 1 91 91 HIS CB C 91 31.297 31.297 33.394 -2.097 18864 405 1 . 1 1 91 91 HIS H H 91 9.879 9.879 9.694 0.185 18864 406 1 . 1 1 92 92 VAL N N 92 122.606 122.606 122.575 0.031 18864 407 1 . 1 1 92 92 VAL HA H 92 3.987 3.987 4.497 -0.510 18864 408 1 . 1 1 92 92 VAL CA C 92 63.928 63.928 61.732 2.196 18864 409 1 . 1 1 92 92 VAL CB C 92 33.222 33.222 33.566 -0.344 18864 410 1 . 1 1 92 92 VAL H H 92 9.102 9.102 9.232 -0.130 18864 411 1 . 1 1 93 93 ILE N N 93 128.087 128.087 128.101 -0.014 18864 412 1 . 1 1 93 93 ILE HA H 93 4.779 4.779 5.142 -0.363 18864 413 1 . 1 1 93 93 ILE CA C 93 60.936 60.936 59.908 1.028 18864 414 1 . 1 1 93 93 ILE CB C 93 41.772 41.772 40.617 1.155 18864 415 1 . 1 1 93 93 ILE H H 93 8.623 8.623 9.567 -0.944 18864 416 1 . 1 1 94 94 LYS N N 94 125.877 125.877 127.374 -1.497 18864 417 1 . 1 1 94 94 LYS HA H 94 5.311 5.311 5.050 0.261 18864 418 1 . 1 1 94 94 LYS CA C 94 54.233 54.233 53.496 0.737 18864 419 1 . 1 1 94 94 LYS CB C 94 36.488 36.488 36.201 0.286 18864 420 1 . 1 1 94 94 LYS H H 94 8.881 8.881 8.972 -0.091 18864 421 1 . 1 1 95 95 ARG N N 95 126.274 126.274 124.707 1.567 18864 422 1 . 1 1 95 95 ARG HA H 95 5.023 5.023 4.251 0.772 18864 423 1 . 1 1 95 95 ARG CA C 95 56.014 56.014 56.399 -0.385 18864 424 1 . 1 1 95 95 ARG CB C 95 29.757 29.757 31.007 -1.250 18864 425 1 . 1 1 95 95 ARG H H 95 7.955 7.955 8.104 -0.149 18864 426 1 . 1 1 96 96 LEU N N 96 129.551 129.551 127.224 2.327 18864 427 1 . 1 1 96 96 LEU HA H 96 4.587 4.587 4.491 0.096 18864 428 1 . 1 1 96 96 LEU CA C 96 54.521 54.521 53.651 0.870 18864 429 1 . 1 1 96 96 LEU CB C 96 44.384 44.384 44.827 -0.443 18864 430 1 . 1 1 96 96 LEU H H 96 9.017 9.017 8.668 0.349 18864 stop_ save_