data_17805 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17805 _Entry.PDB_ID 2LGD 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 17805 _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 ALA N N 2 126.014 126.014 124.336 1.678 17805 2 1 1 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.544 -0.511 17805 3 1 1 . 1 1 2 2 ALA C C 2 176.202 176.202 175.954 0.248 17805 4 1 1 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.354 1.861 17805 5 1 1 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.360 -0.984 17805 6 1 1 . 1 1 2 2 ALA H H 2 8.410 8.410 8.363 0.047 17805 7 1 1 . 1 1 3 3 LEU N N 3 123.255 123.255 123.196 0.059 17805 8 1 1 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.724 -0.078 17805 9 1 1 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.875 -0.058 17805 10 1 1 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.048 0.508 17805 11 1 1 . 1 1 3 3 LEU H H 3 8.271 8.271 8.262 0.009 17805 12 1 1 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.807 -0.201 17805 13 1 1 . 1 1 4 4 PRO C C 4 179.796 179.796 175.505 4.291 17805 14 1 1 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.228 1.012 17805 15 1 1 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.952 -0.882 17805 16 1 1 . 1 1 5 5 ILE N N 5 122.161 122.161 117.698 4.463 17805 17 1 1 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.766 -0.407 17805 18 1 1 . 1 1 5 5 ILE C C 5 179.202 179.202 175.603 3.599 17805 19 1 1 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.139 0.694 17805 20 1 1 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.478 1.465 17805 21 1 1 . 1 1 5 5 ILE H H 5 8.317 8.317 7.790 0.527 17805 22 1 1 . 1 1 6 6 ILE N N 6 125.649 125.649 127.444 -1.795 17805 23 1 1 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.568 0.353 17805 24 1 1 . 1 1 6 6 ILE C C 6 178.393 178.393 174.642 3.751 17805 25 1 1 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.929 -1.064 17805 26 1 1 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.808 0.456 17805 27 1 1 . 1 1 6 6 ILE H H 6 8.408 8.408 8.254 0.154 17805 28 1 1 . 1 1 7 7 VAL N N 7 125.741 125.741 126.739 -0.998 17805 29 1 1 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.871 0.059 17805 30 1 1 . 1 1 7 7 VAL C C 7 178.215 178.215 174.014 4.201 17805 31 1 1 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.860 0.503 17805 32 1 1 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.462 -0.703 17805 33 1 1 . 1 1 7 7 VAL H H 7 9.155 9.155 9.039 0.116 17805 34 1 1 . 1 1 8 8 LYS N N 8 128.098 128.098 128.358 -0.260 17805 35 1 1 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.416 -0.184 17805 36 1 1 . 1 1 8 8 LYS C C 8 178.353 178.353 174.452 3.901 17805 37 1 1 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.731 0.544 17805 38 1 1 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.424 -0.489 17805 39 1 1 . 1 1 8 8 LYS H H 8 9.174 9.174 8.882 0.292 17805 40 1 1 . 1 1 9 9 TRP N N 9 125.952 125.952 127.598 -1.646 17805 41 1 1 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.027 0.158 17805 42 1 1 . 1 1 9 9 TRP C C 9 176.432 176.432 175.801 0.631 17805 43 1 1 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.622 1.112 17805 44 1 1 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.783 -1.222 17805 45 1 1 . 1 1 9 9 TRP H H 9 8.844 8.844 8.633 0.211 17805 46 1 1 . 1 1 10 10 GLY N N 10 117.044 117.044 116.948 0.096 17805 47 1 1 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.355 1.746 17805 48 1 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.723 -0.041 17805 49 1 1 . 1 1 11 11 GLY N N 11 109.364 109.364 104.810 4.554 17805 50 1 1 . 1 1 11 11 GLY C C 11 179.353 179.353 174.449 4.904 17805 51 1 1 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.756 0.704 17805 52 1 1 . 1 1 11 11 GLY H H 11 8.600 8.600 8.252 0.348 17805 53 1 1 . 1 1 12 12 GLN N N 12 119.388 119.388 120.534 -1.146 17805 54 1 1 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.255 0.228 17805 55 1 1 . 1 1 12 12 GLN C C 12 179.098 179.098 175.178 3.920 17805 56 1 1 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.728 -0.226 17805 57 1 1 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.767 2.411 17805 58 1 1 . 1 1 12 12 GLN H H 12 7.865 7.865 7.964 -0.099 17805 59 1 1 . 1 1 13 13 GLU N N 13 119.756 119.756 119.653 0.103 17805 60 1 1 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.193 -0.313 17805 61 1 1 . 1 1 13 13 GLU C C 13 177.641 177.641 175.251 2.390 17805 62 1 1 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.111 0.544 17805 63 1 1 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.865 -0.560 17805 64 1 1 . 1 1 13 13 GLU H H 13 8.172 8.172 8.046 0.126 17805 65 1 1 . 1 1 14 14 TYR N N 14 122.812 122.812 124.032 -1.220 17805 66 1 1 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.880 -0.279 17805 67 1 1 . 1 1 14 14 TYR C C 14 177.990 177.990 174.793 3.197 17805 68 1 1 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.816 0.430 17805 69 1 1 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.255 -0.711 17805 70 1 1 . 1 1 14 14 TYR H H 14 9.381 9.381 9.070 0.311 17805 71 1 1 . 1 1 15 15 SER N N 15 118.339 118.339 118.184 0.155 17805 72 1 1 . 1 1 15 15 SER HA H 15 4.747 4.747 5.341 -0.594 17805 73 1 1 . 1 1 15 15 SER C C 15 178.924 178.924 173.745 5.179 17805 74 1 1 . 1 1 15 15 SER CA C 15 58.099 58.099 57.250 0.849 17805 75 1 1 . 1 1 15 15 SER CB C 15 63.394 63.394 65.031 -1.637 17805 76 1 1 . 1 1 15 15 SER H H 15 8.802 8.802 8.598 0.204 17805 77 1 1 . 1 1 16 16 VAL N N 16 128.611 128.611 121.529 7.082 17805 78 1 1 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.395 -0.190 17805 79 1 1 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.235 2.109 17805 80 1 1 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.556 -2.028 17805 81 1 1 . 1 1 16 16 VAL H H 16 9.005 9.005 8.602 0.403 17805 82 1 1 . 1 1 17 17 THR N N 17 116.170 116.170 115.689 0.481 17805 83 1 1 . 1 1 17 17 THR HA H 17 4.533 4.533 4.463 0.070 17805 84 1 1 . 1 1 17 17 THR C C 17 177.649 177.649 173.892 3.757 17805 85 1 1 . 1 1 17 17 THR CA C 17 62.331 62.331 62.179 0.152 17805 86 1 1 . 1 1 17 17 THR CB C 17 70.040 70.040 68.936 1.104 17805 87 1 1 . 1 1 17 17 THR H H 17 8.746 8.746 8.293 0.453 17805 88 1 1 . 1 1 18 18 THR N N 18 107.517 107.517 114.786 -7.269 17805 89 1 1 . 1 1 18 18 THR HA H 18 4.173 4.173 4.296 -0.123 17805 90 1 1 . 1 1 18 18 THR C C 18 178.498 178.498 173.438 5.060 17805 91 1 1 . 1 1 18 18 THR CA C 18 61.772 61.772 62.681 -0.909 17805 92 1 1 . 1 1 18 18 THR CB C 18 69.121 69.121 69.197 -0.076 17805 93 1 1 . 1 1 18 18 THR H H 18 6.812 6.812 7.962 -1.150 17805 94 1 1 . 1 1 19 19 LEU N N 19 123.019 123.019 116.680 6.339 17805 95 1 1 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.793 -0.210 17805 96 1 1 . 1 1 19 19 LEU C C 19 177.299 177.299 174.616 2.683 17805 97 1 1 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.665 1.515 17805 98 1 1 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.457 -1.746 17805 99 1 1 . 1 1 19 19 LEU H H 19 8.388 8.388 7.226 1.162 17805 100 1 1 . 1 1 20 20 SER N N 20 117.870 117.870 112.412 5.458 17805 101 1 1 . 1 1 20 20 SER HA H 20 4.863 4.863 5.127 -0.264 17805 102 1 1 . 1 1 20 20 SER C C 20 177.249 177.249 175.661 1.588 17805 103 1 1 . 1 1 20 20 SER CA C 20 56.832 56.832 56.210 0.622 17805 104 1 1 . 1 1 20 20 SER CB C 20 67.845 67.845 66.620 1.225 17805 105 1 1 . 1 1 20 20 SER H H 20 9.714 9.714 8.142 1.572 17805 106 1 1 . 1 1 21 21 GLU N N 21 116.130 116.130 121.308 -5.178 17805 107 1 1 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.908 -0.168 17805 108 1 1 . 1 1 21 21 GLU C C 21 176.555 176.555 176.478 0.077 17805 109 1 1 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.289 -0.155 17805 110 1 1 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.902 1.952 17805 111 1 1 . 1 1 21 21 GLU H H 21 8.491 8.491 9.064 -0.573 17805 112 1 1 . 1 1 22 22 ASP N N 22 115.741 115.741 115.104 0.637 17805 113 1 1 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.545 0.105 17805 114 1 1 . 1 1 22 22 ASP C C 22 176.555 176.555 176.704 -0.149 17805 115 1 1 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.391 0.765 17805 116 1 1 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.349 2.230 17805 117 1 1 . 1 1 22 22 ASP H H 22 7.936 7.936 8.136 -0.200 17805 118 1 1 . 1 1 23 23 ASP N N 23 119.945 119.945 120.831 -0.886 17805 119 1 1 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.589 0.252 17805 120 1 1 . 1 1 23 23 ASP C C 23 178.264 178.264 175.565 2.699 17805 121 1 1 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.093 -0.870 17805 122 1 1 . 1 1 23 23 ASP CB C 23 42.782 42.782 43.093 -0.311 17805 123 1 1 . 1 1 23 23 ASP H H 23 7.313 7.313 8.199 -0.886 17805 124 1 1 . 1 1 24 24 THR N N 24 107.918 107.918 106.872 1.046 17805 125 1 1 . 1 1 24 24 THR HA H 24 5.328 5.328 4.427 0.901 17805 126 1 1 . 1 1 24 24 THR C C 24 176.363 176.363 174.042 2.321 17805 127 1 1 . 1 1 24 24 THR CA C 24 60.989 60.989 61.600 -0.612 17805 128 1 1 . 1 1 24 24 THR CB C 24 74.287 74.287 71.272 3.015 17805 129 1 1 . 1 1 24 24 THR H H 24 9.630 9.630 7.464 2.166 17805 130 1 1 . 1 1 25 25 VAL N N 25 120.192 120.192 123.726 -3.534 17805 131 1 1 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.729 -0.395 17805 132 1 1 . 1 1 25 25 VAL C C 25 175.092 175.092 177.249 -2.157 17805 133 1 1 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.834 0.792 17805 134 1 1 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.851 0.298 17805 135 1 1 . 1 1 25 25 VAL H H 25 8.260 8.260 8.985 -0.725 17805 136 1 1 . 1 1 26 26 LEU N N 26 119.941 119.941 119.344 0.597 17805 137 1 1 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.997 -0.125 17805 138 1 1 . 1 1 26 26 LEU C C 26 174.996 174.996 178.139 -3.143 17805 139 1 1 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.482 0.110 17805 140 1 1 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.310 0.405 17805 141 1 1 . 1 1 26 26 LEU H H 26 8.523 8.523 8.244 0.279 17805 142 1 1 . 1 1 27 27 ASP N N 27 118.322 118.322 119.989 -1.667 17805 143 1 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.438 -0.165 17805 144 1 1 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.035 1.628 17805 145 1 1 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.997 -0.066 17805 146 1 1 . 1 1 27 27 ASP H H 27 7.581 7.581 8.145 -0.564 17805 147 1 1 . 1 1 28 28 LEU N N 28 122.021 122.021 121.513 0.508 17805 148 1 1 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.167 -0.084 17805 149 1 1 . 1 1 28 28 LEU C C 28 175.514 175.514 178.601 -3.087 17805 150 1 1 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.840 0.932 17805 151 1 1 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.365 -1.140 17805 152 1 1 . 1 1 28 28 LEU H H 28 7.837 7.837 7.928 -0.091 17805 153 1 1 . 1 1 29 29 LYS N N 29 119.086 119.086 119.288 -0.202 17805 154 1 1 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.892 0.628 17805 155 1 1 . 1 1 29 29 LYS C C 29 172.261 172.261 178.769 -6.508 17805 156 1 1 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.837 -0.051 17805 157 1 1 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.868 2.429 17805 158 1 1 . 1 1 29 29 LYS H H 29 8.467 8.467 8.702 -0.235 17805 159 1 1 . 1 1 30 30 GLN N N 30 119.268 119.268 118.318 0.950 17805 160 1 1 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.020 -0.088 17805 161 1 1 . 1 1 30 30 GLN C C 30 174.240 174.240 178.401 -4.161 17805 162 1 1 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.516 1.147 17805 163 1 1 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.040 -0.234 17805 164 1 1 . 1 1 30 30 GLN H H 30 9.049 9.049 7.830 1.219 17805 165 1 1 . 1 1 31 31 PHE N N 31 121.690 121.690 120.750 0.940 17805 166 1 1 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.198 0.020 17805 167 1 1 . 1 1 31 31 PHE C C 31 173.970 173.970 177.561 -3.591 17805 168 1 1 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.203 0.764 17805 169 1 1 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.386 -0.012 17805 170 1 1 . 1 1 31 31 PHE H H 31 8.039 8.039 7.774 0.265 17805 171 1 1 . 1 1 32 32 LEU N N 32 118.232 118.232 117.245 0.987 17805 172 1 1 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.022 -0.385 17805 173 1 1 . 1 1 32 32 LEU C C 32 172.367 172.367 178.200 -5.833 17805 174 1 1 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.881 -0.173 17805 175 1 1 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.838 0.432 17805 176 1 1 . 1 1 32 32 LEU H H 32 8.776 8.776 8.207 0.569 17805 177 1 1 . 1 1 33 33 LYS N N 33 125.920 125.920 119.762 6.158 17805 178 1 1 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.058 -0.256 17805 179 1 1 . 1 1 33 33 LYS C C 33 173.820 173.820 178.762 -4.942 17805 180 1 1 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.584 1.532 17805 181 1 1 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.247 0.454 17805 182 1 1 . 1 1 33 33 LYS H H 33 8.237 8.237 8.540 -0.303 17805 183 1 1 . 1 1 34 34 THR N N 34 114.544 114.544 113.866 0.678 17805 184 1 1 . 1 1 34 34 THR HA H 34 3.773 3.773 4.069 -0.296 17805 185 1 1 . 1 1 34 34 THR C C 34 177.649 177.649 175.652 1.997 17805 186 1 1 . 1 1 34 34 THR CA C 34 65.749 65.749 63.946 1.803 17805 187 1 1 . 1 1 34 34 THR CB C 34 68.620 68.620 68.502 0.118 17805 188 1 1 . 1 1 34 34 THR H H 34 7.281 7.281 7.471 -0.190 17805 189 1 1 . 1 1 35 35 LEU N N 35 117.590 117.590 118.634 -1.044 17805 190 1 1 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.243 -0.225 17805 191 1 1 . 1 1 35 35 LEU C C 35 175.105 175.105 177.348 -2.243 17805 192 1 1 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.995 1.020 17805 193 1 1 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.457 1.546 17805 194 1 1 . 1 1 35 35 LEU H H 35 6.752 6.752 7.320 -0.568 17805 195 1 1 . 1 1 36 36 THR N N 36 104.865 104.865 106.743 -1.878 17805 196 1 1 . 1 1 36 36 THR HA H 36 3.967 3.967 4.344 -0.377 17805 197 1 1 . 1 1 36 36 THR C C 36 178.094 178.094 175.997 2.097 17805 198 1 1 . 1 1 36 36 THR CA C 36 62.756 62.756 62.339 0.417 17805 199 1 1 . 1 1 36 36 THR CB C 36 72.343 72.343 71.412 0.932 17805 200 1 1 . 1 1 36 36 THR H H 36 7.675 7.675 7.952 -0.277 17805 201 1 1 . 1 1 37 37 GLY N N 37 109.795 109.795 110.677 -0.882 17805 202 1 1 . 1 1 37 37 GLY C C 37 179.368 179.368 173.496 5.872 17805 203 1 1 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.780 -0.221 17805 204 1 1 . 1 1 37 37 GLY H H 37 7.971 7.971 8.349 -0.378 17805 205 1 1 . 1 1 38 38 VAL N N 38 122.557 122.557 123.633 -1.076 17805 206 1 1 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.024 -0.386 17805 207 1 1 . 1 1 38 38 VAL C C 38 177.289 177.289 175.109 2.180 17805 208 1 1 . 1 1 38 38 VAL CA C 38 62.437 62.437 62.268 0.169 17805 209 1 1 . 1 1 38 38 VAL CB C 38 31.390 31.390 31.483 -0.093 17805 210 1 1 . 1 1 38 38 VAL H H 38 7.533 7.533 7.021 0.512 17805 211 1 1 . 1 1 39 39 LEU N N 39 127.828 127.828 122.511 5.317 17805 212 1 1 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.871 -0.877 17805 213 1 1 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.982 3.455 17805 214 1 1 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.501 0.056 17805 215 1 1 . 1 1 39 39 LEU H H 39 8.634 8.634 8.308 0.326 17805 216 1 1 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.607 -0.768 17805 217 1 1 . 1 1 40 40 PRO C C 40 174.857 174.857 177.371 -2.514 17805 218 1 1 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.604 2.385 17805 219 1 1 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.954 0.368 17805 220 1 1 . 1 1 41 41 GLU N N 41 114.752 114.752 115.368 -0.616 17805 221 1 1 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.119 -0.048 17805 222 1 1 . 1 1 41 41 GLU C C 41 176.350 176.350 177.507 -1.157 17805 223 1 1 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.904 1.034 17805 224 1 1 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.128 -0.304 17805 225 1 1 . 1 1 41 41 GLU H H 41 9.746 9.746 8.677 1.069 17805 226 1 1 . 1 1 42 42 ARG N N 42 118.145 118.145 117.005 1.140 17805 227 1 1 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.430 -0.115 17805 228 1 1 . 1 1 42 42 ARG C C 42 177.731 177.731 176.729 1.002 17805 229 1 1 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.295 -0.848 17805 230 1 1 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.969 -0.864 17805 231 1 1 . 1 1 42 42 ARG H H 42 7.938 7.938 7.474 0.464 17805 232 1 1 . 1 1 43 43 GLN N N 43 118.250 118.250 115.753 2.497 17805 233 1 1 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.645 -0.394 17805 234 1 1 . 1 1 43 43 GLN C C 43 176.186 176.186 173.924 2.262 17805 235 1 1 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.384 2.153 17805 236 1 1 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.118 -1.126 17805 237 1 1 . 1 1 43 43 GLN H H 43 7.034 7.034 7.632 -0.598 17805 238 1 1 . 1 1 44 44 LYS N N 44 122.693 122.693 118.722 3.971 17805 239 1 1 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.706 -0.242 17805 240 1 1 . 1 1 44 44 LYS C C 44 178.040 178.040 174.453 3.587 17805 241 1 1 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.615 0.937 17805 242 1 1 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.771 -0.446 17805 243 1 1 . 1 1 44 44 LYS H H 44 8.806 8.806 8.081 0.725 17805 244 1 1 . 1 1 45 45 LEU N N 45 124.806 124.806 122.703 2.103 17805 245 1 1 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.672 0.271 17805 246 1 1 . 1 1 45 45 LEU C C 45 176.506 176.506 178.023 -1.517 17805 247 1 1 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.164 -0.622 17805 248 1 1 . 1 1 45 45 LEU CB C 45 41.821 41.821 41.940 -0.119 17805 249 1 1 . 1 1 45 45 LEU H H 45 8.704 8.704 8.624 0.080 17805 250 1 1 . 1 1 46 46 LEU N N 46 124.709 124.709 125.628 -0.919 17805 251 1 1 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.082 0.276 17805 252 1 1 . 1 1 46 46 LEU C C 46 175.289 175.289 176.600 -1.311 17805 253 1 1 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.410 -0.651 17805 254 1 1 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.676 0.850 17805 255 1 1 . 1 1 46 46 LEU H H 46 8.751 8.751 8.678 0.073 17805 256 1 1 . 1 1 47 47 GLY N N 47 109.276 109.276 113.976 -4.700 17805 257 1 1 . 1 1 47 47 GLY C C 47 179.057 179.057 172.461 6.596 17805 258 1 1 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.297 0.263 17805 259 1 1 . 1 1 47 47 GLY H H 47 8.300 8.300 8.057 0.243 17805 260 1 1 . 1 1 48 48 LEU N N 48 119.707 119.707 120.516 -0.809 17805 261 1 1 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.811 -0.221 17805 262 1 1 . 1 1 48 48 LEU C C 48 177.598 177.598 175.201 2.397 17805 263 1 1 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.094 0.851 17805 264 1 1 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.287 -4.873 17805 265 1 1 . 1 1 48 48 LEU H H 48 7.581 7.581 8.099 -0.518 17805 266 1 1 . 1 1 49 49 LYS N N 49 124.527 124.527 121.479 3.048 17805 267 1 1 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.742 0.110 17805 268 1 1 . 1 1 49 49 LYS C C 49 178.059 178.059 175.534 2.525 17805 269 1 1 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.970 0.693 17805 270 1 1 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.426 4.155 17805 271 1 1 . 1 1 49 49 LYS H H 49 8.606 8.606 8.201 0.405 17805 272 1 1 . 1 1 50 50 VAL N N 50 119.184 119.184 123.618 -4.434 17805 273 1 1 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.432 -0.319 17805 274 1 1 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.715 1.150 17805 275 1 1 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.630 1.104 17805 276 1 1 . 1 1 50 50 VAL H H 50 8.799 8.799 8.433 0.366 17805 277 1 1 . 1 1 51 51 LYS N N 51 127.069 127.069 126.795 0.274 17805 278 1 1 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.990 -0.166 17805 279 1 1 . 1 1 51 51 LYS C C 51 176.418 176.418 176.401 0.017 17805 280 1 1 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.023 0.384 17805 281 1 1 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.872 0.783 17805 282 1 1 . 1 1 51 51 LYS H H 51 9.451 9.451 9.255 0.196 17805 283 1 1 . 1 1 52 52 GLY N N 52 102.671 102.671 103.615 -0.944 17805 284 1 1 . 1 1 52 52 GLY C C 52 179.392 179.392 174.320 5.072 17805 285 1 1 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.101 0.709 17805 286 1 1 . 1 1 52 52 GLY H H 52 8.512 8.512 8.460 0.052 17805 287 1 1 . 1 1 53 53 LYS N N 53 121.307 121.307 121.222 0.085 17805 288 1 1 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.742 0.087 17805 289 1 1 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.127 0.489 17805 290 1 1 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.190 0.750 17805 291 1 1 . 1 1 53 53 LYS H H 53 7.781 7.781 7.889 -0.108 17805 292 1 1 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.385 -0.009 17805 293 1 1 . 1 1 54 54 PRO C C 54 175.954 175.954 176.050 -0.096 17805 294 1 1 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.736 1.081 17805 295 1 1 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.859 2.292 17805 296 1 1 . 1 1 55 55 ALA N N 55 125.654 125.654 122.794 2.860 17805 297 1 1 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.906 0.232 17805 298 1 1 . 1 1 55 55 ALA C C 55 175.977 175.977 176.999 -1.022 17805 299 1 1 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.603 0.061 17805 300 1 1 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.217 1.827 17805 301 1 1 . 1 1 55 55 ALA H H 55 8.114 8.114 8.191 -0.077 17805 302 1 1 . 1 1 56 56 GLU N N 56 122.313 122.313 121.120 1.193 17805 303 1 1 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.052 0.163 17805 304 1 1 . 1 1 56 56 GLU C C 56 176.924 176.924 177.627 -0.703 17805 305 1 1 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.738 -0.649 17805 306 1 1 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.460 0.625 17805 307 1 1 . 1 1 56 56 GLU H H 56 8.179 8.179 8.425 -0.246 17805 308 1 1 . 1 1 57 57 ASN N N 57 115.140 115.140 119.352 -4.212 17805 309 1 1 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.463 -0.234 17805 310 1 1 . 1 1 57 57 ASN C C 57 177.457 177.457 176.301 1.156 17805 311 1 1 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.131 -0.932 17805 312 1 1 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.143 1.084 17805 313 1 1 . 1 1 57 57 ASN H H 57 8.504 8.504 8.776 -0.272 17805 314 1 1 . 1 1 58 58 ASP N N 58 112.832 112.832 118.408 -5.576 17805 315 1 1 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.564 -0.076 17805 316 1 1 . 1 1 58 58 ASP C C 58 177.255 177.255 175.897 1.358 17805 317 1 1 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.044 -1.436 17805 318 1 1 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.642 -0.338 17805 319 1 1 . 1 1 58 58 ASP H H 58 8.198 8.198 8.499 -0.301 17805 320 1 1 . 1 1 59 59 VAL N N 59 122.073 122.073 120.411 1.662 17805 321 1 1 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.912 -0.319 17805 322 1 1 . 1 1 59 59 VAL C C 59 177.321 177.321 175.702 1.619 17805 323 1 1 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.112 0.728 17805 324 1 1 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.543 -0.221 17805 325 1 1 . 1 1 59 59 VAL H H 59 7.353 7.353 7.049 0.304 17805 326 1 1 . 1 1 60 60 LYS N N 60 125.064 125.064 126.173 -1.109 17805 327 1 1 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.111 0.336 17805 328 1 1 . 1 1 60 60 LYS C C 60 174.649 174.649 177.066 -2.417 17805 329 1 1 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.903 -0.718 17805 330 1 1 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.600 0.505 17805 331 1 1 . 1 1 60 60 LYS H H 60 8.339 8.339 8.449 -0.110 17805 332 1 1 . 1 1 61 61 LEU N N 61 121.612 121.612 121.111 0.501 17805 333 1 1 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.254 -0.478 17805 334 1 1 . 1 1 61 61 LEU C C 61 171.906 171.906 179.122 -7.216 17805 335 1 1 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.946 1.041 17805 336 1 1 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.985 -0.153 17805 337 1 1 . 1 1 61 61 LEU H H 61 9.423 9.423 8.495 0.928 17805 338 1 1 . 1 1 62 62 GLY N N 62 104.008 104.008 105.198 -1.190 17805 339 1 1 . 1 1 62 62 GLY C C 62 177.869 177.869 175.071 2.798 17805 340 1 1 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.838 -0.066 17805 341 1 1 . 1 1 62 62 GLY H H 62 9.107 9.107 7.621 1.486 17805 342 1 1 . 1 1 63 63 ALA N N 63 122.025 122.025 123.317 -1.292 17805 343 1 1 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.211 0.062 17805 344 1 1 . 1 1 63 63 ALA C C 63 174.499 174.499 178.318 -3.819 17805 345 1 1 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.310 -0.889 17805 346 1 1 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.796 0.020 17805 347 1 1 . 1 1 63 63 ALA H H 63 7.755 7.755 8.030 -0.275 17805 348 1 1 . 1 1 64 64 LEU N N 64 115.454 115.454 113.881 1.573 17805 349 1 1 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.534 -0.466 17805 350 1 1 . 1 1 64 64 LEU C C 64 177.197 177.197 177.725 -0.528 17805 351 1 1 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.305 0.262 17805 352 1 1 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.332 -0.196 17805 353 1 1 . 1 1 64 64 LEU H H 64 7.214 7.214 7.504 -0.290 17805 354 1 1 . 1 1 65 65 LYS N N 65 114.830 114.830 118.686 -3.856 17805 355 1 1 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.057 -0.219 17805 356 1 1 . 1 1 65 65 LYS C C 65 177.061 177.061 176.906 0.155 17805 357 1 1 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.608 -1.871 17805 358 1 1 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.011 -3.704 17805 359 1 1 . 1 1 65 65 LYS H H 65 7.642 7.642 8.026 -0.384 17805 360 1 1 . 1 1 66 66 LEU N N 66 119.305 119.305 111.346 7.959 17805 361 1 1 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.541 -0.378 17805 362 1 1 . 1 1 66 66 LEU C C 66 175.393 175.393 175.749 -0.356 17805 363 1 1 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.430 0.417 17805 364 1 1 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.816 -0.104 17805 365 1 1 . 1 1 66 66 LEU H H 66 8.516 8.516 7.460 1.056 17805 366 1 1 . 1 1 67 67 LYS N N 67 121.480 121.480 120.330 1.150 17805 367 1 1 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.488 0.009 17805 368 1 1 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.134 -1.982 17805 369 1 1 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.730 0.269 17805 370 1 1 . 1 1 67 67 LYS H H 67 7.955 7.955 8.389 -0.434 17805 371 1 1 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.352 -0.183 17805 372 1 1 . 1 1 68 68 PRO C C 68 176.609 176.609 177.749 -1.140 17805 373 1 1 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.560 -1.171 17805 374 1 1 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.969 0.245 17805 375 1 1 . 1 1 69 69 ASN N N 69 115.414 115.414 115.701 -0.287 17805 376 1 1 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.456 -0.494 17805 377 1 1 . 1 1 69 69 ASN C C 69 178.824 178.824 175.889 2.935 17805 378 1 1 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.844 0.177 17805 379 1 1 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.522 -0.475 17805 380 1 1 . 1 1 69 69 ASN H H 69 8.966 8.966 8.687 0.279 17805 381 1 1 . 1 1 70 70 THR N N 70 115.426 115.426 115.236 0.190 17805 382 1 1 . 1 1 70 70 THR HA H 70 3.949 3.949 4.340 -0.391 17805 383 1 1 . 1 1 70 70 THR C C 70 180.592 180.592 173.945 6.647 17805 384 1 1 . 1 1 70 70 THR CA C 70 65.247 65.247 62.045 3.202 17805 385 1 1 . 1 1 70 70 THR CB C 70 70.132 70.132 69.973 0.159 17805 386 1 1 . 1 1 70 70 THR H H 70 7.712 7.712 7.596 0.116 17805 387 1 1 . 1 1 71 71 LYS N N 71 124.603 124.603 124.373 0.230 17805 388 1 1 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.960 0.219 17805 389 1 1 . 1 1 71 71 LYS C C 71 177.157 177.157 175.782 1.375 17805 390 1 1 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.906 0.434 17805 391 1 1 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.162 -0.433 17805 392 1 1 . 1 1 71 71 LYS H H 71 8.284 8.284 8.333 -0.049 17805 393 1 1 . 1 1 72 72 ILE N N 72 123.505 123.505 119.801 3.704 17805 394 1 1 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.565 -0.054 17805 395 1 1 . 1 1 72 72 ILE C C 72 178.360 178.360 174.886 3.474 17805 396 1 1 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.551 0.085 17805 397 1 1 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.926 -0.099 17805 398 1 1 . 1 1 72 72 ILE H H 72 9.142 9.142 8.958 0.184 17805 399 1 1 . 1 1 73 73 MET N N 73 123.090 123.090 121.097 1.993 17805 400 1 1 . 1 1 73 73 MET HA H 73 5.122 5.122 4.872 0.250 17805 401 1 1 . 1 1 73 73 MET C C 73 179.095 179.095 175.323 3.772 17805 402 1 1 . 1 1 73 73 MET CA C 73 54.949 54.949 54.892 0.057 17805 403 1 1 . 1 1 73 73 MET CB C 73 35.143 35.143 35.408 -0.265 17805 404 1 1 . 1 1 73 73 MET H H 73 8.556 8.556 8.661 -0.105 17805 405 1 1 . 1 1 74 74 MET N N 74 124.481 124.481 122.260 2.221 17805 406 1 1 . 1 1 74 74 MET HA H 74 5.288 5.288 4.748 0.540 17805 407 1 1 . 1 1 74 74 MET C C 74 178.476 178.476 175.441 3.035 17805 408 1 1 . 1 1 74 74 MET CA C 74 54.862 54.862 55.320 -0.458 17805 409 1 1 . 1 1 74 74 MET CB C 74 36.294 36.294 33.877 2.417 17805 410 1 1 . 1 1 74 74 MET H H 74 8.924 8.924 8.888 0.036 17805 411 1 1 . 1 1 75 75 MET N N 75 123.963 123.963 125.145 -1.182 17805 412 1 1 . 1 1 75 75 MET HA H 75 5.093 5.093 4.884 0.209 17805 413 1 1 . 1 1 75 75 MET C C 75 177.842 177.842 174.735 3.107 17805 414 1 1 . 1 1 75 75 MET CA C 75 54.265 54.265 54.613 -0.348 17805 415 1 1 . 1 1 75 75 MET CB C 75 35.566 35.566 32.400 3.167 17805 416 1 1 . 1 1 75 75 MET H H 75 9.112 9.112 8.099 1.013 17805 417 1 1 . 1 1 76 76 GLY N N 76 109.773 109.773 110.976 -1.203 17805 418 1 1 . 1 1 76 76 GLY C C 76 180.165 180.165 172.775 7.390 17805 419 1 1 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.044 0.857 17805 420 1 1 . 1 1 76 76 GLY H H 76 8.711 8.711 8.558 0.153 17805 421 1 1 . 1 1 77 77 THR N N 77 113.345 113.345 114.583 -1.238 17805 422 1 1 . 1 1 77 77 THR HA H 77 4.787 4.787 4.805 -0.018 17805 423 1 1 . 1 1 77 77 THR C C 77 178.955 178.955 173.688 5.267 17805 424 1 1 . 1 1 77 77 THR CA C 77 60.728 60.728 60.767 -0.039 17805 425 1 1 . 1 1 77 77 THR CB C 77 71.481 71.481 70.743 0.738 17805 426 1 1 . 1 1 77 77 THR H H 77 8.280 8.280 8.231 0.049 17805 427 1 1 . 1 1 78 78 ARG N N 78 122.844 122.844 124.475 -1.631 17805 428 1 1 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.158 -0.010 17805 429 1 1 . 1 1 78 78 ARG C C 78 177.011 177.011 175.600 1.411 17805 430 1 1 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.799 1.082 17805 431 1 1 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.402 1.205 17805 432 1 1 . 1 1 78 78 ARG H H 78 8.852 8.852 8.510 0.342 17805 433 1 1 . 1 1 79 79 GLU N N 79 122.181 122.181 120.352 1.829 17805 434 1 1 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.448 -0.242 17805 435 1 1 . 1 1 79 79 GLU C C 79 176.784 176.784 176.115 0.669 17805 436 1 1 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.637 1.370 17805 437 1 1 . 1 1 79 79 GLU CB C 79 30.764 30.764 31.395 -0.631 17805 438 1 1 . 1 1 79 79 GLU H H 79 8.300 8.300 8.300 -0.000 17805 439 1 1 . 1 1 80 80 GLU N N 80 126.965 126.965 122.570 4.395 17805 440 1 1 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.353 -0.304 17805 441 1 1 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.316 2.012 17805 442 1 1 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.772 1.515 17805 443 1 1 . 1 1 80 80 GLU H H 80 8.015 8.015 8.640 -0.625 17805 444 1 2 . 1 1 2 2 ALA N N 2 126.014 126.014 125.824 0.190 17805 445 1 2 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.516 -0.483 17805 446 1 2 . 1 1 2 2 ALA C C 2 176.202 176.202 176.490 -0.288 17805 447 1 2 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.423 1.792 17805 448 1 2 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.175 0.201 17805 449 1 2 . 1 1 2 2 ALA H H 2 8.410 8.410 8.432 -0.022 17805 450 1 2 . 1 1 3 3 LEU N N 3 123.255 123.255 125.209 -1.954 17805 451 1 2 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.590 0.056 17805 452 1 2 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.889 -0.072 17805 453 1 2 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.709 0.848 17805 454 1 2 . 1 1 3 3 LEU H H 3 8.271 8.271 8.555 -0.284 17805 455 1 2 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.715 -0.109 17805 456 1 2 . 1 1 4 4 PRO C C 4 179.796 179.796 175.780 4.016 17805 457 1 2 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.268 0.972 17805 458 1 2 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.811 -0.741 17805 459 1 2 . 1 1 5 5 ILE N N 5 122.161 122.161 118.100 4.061 17805 460 1 2 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.746 -0.387 17805 461 1 2 . 1 1 5 5 ILE C C 5 179.202 179.202 175.514 3.688 17805 462 1 2 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.980 0.853 17805 463 1 2 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.330 1.613 17805 464 1 2 . 1 1 5 5 ILE H H 5 8.317 8.317 7.790 0.527 17805 465 1 2 . 1 1 6 6 ILE N N 6 125.649 125.649 127.831 -2.182 17805 466 1 2 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.609 0.312 17805 467 1 2 . 1 1 6 6 ILE C C 6 178.393 178.393 174.673 3.720 17805 468 1 2 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.025 -1.160 17805 469 1 2 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.706 0.558 17805 470 1 2 . 1 1 6 6 ILE H H 6 8.408 8.408 8.258 0.150 17805 471 1 2 . 1 1 7 7 VAL N N 7 125.741 125.741 127.560 -1.819 17805 472 1 2 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.757 0.173 17805 473 1 2 . 1 1 7 7 VAL C C 7 178.215 178.215 174.031 4.184 17805 474 1 2 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.388 -0.025 17805 475 1 2 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.025 -1.266 17805 476 1 2 . 1 1 7 7 VAL H H 7 9.155 9.155 8.997 0.158 17805 477 1 2 . 1 1 8 8 LYS N N 8 128.098 128.098 128.099 -0.001 17805 478 1 2 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.416 -0.184 17805 479 1 2 . 1 1 8 8 LYS C C 8 178.353 178.353 174.394 3.959 17805 480 1 2 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.770 0.505 17805 481 1 2 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.434 -0.499 17805 482 1 2 . 1 1 8 8 LYS H H 8 9.174 9.174 8.856 0.318 17805 483 1 2 . 1 1 9 9 TRP N N 9 125.952 125.952 128.085 -2.133 17805 484 1 2 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.091 0.094 17805 485 1 2 . 1 1 9 9 TRP C C 9 176.432 176.432 175.809 0.623 17805 486 1 2 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.736 0.998 17805 487 1 2 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.041 -1.480 17805 488 1 2 . 1 1 9 9 TRP H H 9 8.844 8.844 8.598 0.246 17805 489 1 2 . 1 1 10 10 GLY N N 10 117.044 117.044 115.965 1.079 17805 490 1 2 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.152 1.949 17805 491 1 2 . 1 1 10 10 GLY H H 10 8.683 8.683 8.520 0.163 17805 492 1 2 . 1 1 11 11 GLY N N 11 109.364 109.364 105.808 3.556 17805 493 1 2 . 1 1 11 11 GLY C C 11 179.353 179.353 174.476 4.877 17805 494 1 2 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.748 0.711 17805 495 1 2 . 1 1 11 11 GLY H H 11 8.600 8.600 8.228 0.372 17805 496 1 2 . 1 1 12 12 GLN N N 12 119.388 119.388 120.423 -1.035 17805 497 1 2 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.307 0.176 17805 498 1 2 . 1 1 12 12 GLN C C 12 179.098 179.098 175.130 3.968 17805 499 1 2 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.687 -0.185 17805 500 1 2 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.904 2.274 17805 501 1 2 . 1 1 12 12 GLN H H 12 7.865 7.865 7.946 -0.081 17805 502 1 2 . 1 1 13 13 GLU N N 13 119.756 119.756 120.024 -0.268 17805 503 1 2 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.234 -0.354 17805 504 1 2 . 1 1 13 13 GLU C C 13 177.641 177.641 175.327 2.314 17805 505 1 2 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.248 0.407 17805 506 1 2 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.552 -0.246 17805 507 1 2 . 1 1 13 13 GLU H H 13 8.172 8.172 8.078 0.094 17805 508 1 2 . 1 1 14 14 TYR N N 14 122.812 122.812 124.104 -1.292 17805 509 1 2 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.872 -0.271 17805 510 1 2 . 1 1 14 14 TYR C C 14 177.990 177.990 174.859 3.131 17805 511 1 2 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.706 0.540 17805 512 1 2 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.277 -0.733 17805 513 1 2 . 1 1 14 14 TYR H H 14 9.381 9.381 8.777 0.604 17805 514 1 2 . 1 1 15 15 SER N N 15 118.339 118.339 118.800 -0.461 17805 515 1 2 . 1 1 15 15 SER HA H 15 4.747 4.747 5.357 -0.610 17805 516 1 2 . 1 1 15 15 SER C C 15 178.924 178.924 173.741 5.183 17805 517 1 2 . 1 1 15 15 SER CA C 15 58.099 58.099 57.104 0.995 17805 518 1 2 . 1 1 15 15 SER CB C 15 63.394 63.394 64.842 -1.448 17805 519 1 2 . 1 1 15 15 SER H H 15 8.802 8.802 8.662 0.140 17805 520 1 2 . 1 1 16 16 VAL N N 16 128.611 128.611 123.001 5.610 17805 521 1 2 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.341 -0.136 17805 522 1 2 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.954 1.390 17805 523 1 2 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.847 -1.319 17805 524 1 2 . 1 1 16 16 VAL H H 16 9.005 9.005 8.872 0.133 17805 525 1 2 . 1 1 17 17 THR N N 17 116.170 116.170 114.478 1.692 17805 526 1 2 . 1 1 17 17 THR HA H 17 4.533 4.533 4.489 0.044 17805 527 1 2 . 1 1 17 17 THR C C 17 177.649 177.649 173.965 3.684 17805 528 1 2 . 1 1 17 17 THR CA C 17 62.331 62.331 62.278 0.053 17805 529 1 2 . 1 1 17 17 THR CB C 17 70.040 70.040 68.974 1.066 17805 530 1 2 . 1 1 17 17 THR H H 17 8.746 8.746 8.227 0.519 17805 531 1 2 . 1 1 18 18 THR N N 18 107.517 107.517 114.034 -6.517 17805 532 1 2 . 1 1 18 18 THR HA H 18 4.173 4.173 4.284 -0.111 17805 533 1 2 . 1 1 18 18 THR C C 18 178.498 178.498 173.454 5.044 17805 534 1 2 . 1 1 18 18 THR CA C 18 61.772 61.772 62.233 -0.461 17805 535 1 2 . 1 1 18 18 THR CB C 18 69.121 69.121 68.916 0.205 17805 536 1 2 . 1 1 18 18 THR H H 18 6.812 6.812 8.080 -1.268 17805 537 1 2 . 1 1 19 19 LEU N N 19 123.019 123.019 116.656 6.363 17805 538 1 2 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.822 -0.239 17805 539 1 2 . 1 1 19 19 LEU C C 19 177.299 177.299 174.135 3.164 17805 540 1 2 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.865 1.315 17805 541 1 2 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.909 -2.198 17805 542 1 2 . 1 1 19 19 LEU H H 19 8.388 8.388 7.216 1.172 17805 543 1 2 . 1 1 20 20 SER N N 20 117.870 117.870 113.780 4.090 17805 544 1 2 . 1 1 20 20 SER HA H 20 4.863 4.863 5.121 -0.258 17805 545 1 2 . 1 1 20 20 SER C C 20 177.249 177.249 175.964 1.285 17805 546 1 2 . 1 1 20 20 SER CA C 20 56.832 56.832 56.146 0.686 17805 547 1 2 . 1 1 20 20 SER CB C 20 67.845 67.845 65.916 1.929 17805 548 1 2 . 1 1 20 20 SER H H 20 9.714 9.714 8.524 1.190 17805 549 1 2 . 1 1 21 21 GLU N N 21 116.130 116.130 121.509 -5.379 17805 550 1 2 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.962 -0.222 17805 551 1 2 . 1 1 21 21 GLU C C 21 176.555 176.555 176.783 -0.228 17805 552 1 2 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.024 0.110 17805 553 1 2 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.383 1.471 17805 554 1 2 . 1 1 21 21 GLU H H 21 8.491 8.491 8.897 -0.406 17805 555 1 2 . 1 1 22 22 ASP N N 22 115.741 115.741 116.868 -1.127 17805 556 1 2 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.524 0.126 17805 557 1 2 . 1 1 22 22 ASP C C 22 176.555 176.555 176.434 0.121 17805 558 1 2 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.425 -0.269 17805 559 1 2 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.578 2.001 17805 560 1 2 . 1 1 22 22 ASP H H 22 7.936 7.936 8.182 -0.246 17805 561 1 2 . 1 1 23 23 ASP N N 23 119.945 119.945 119.541 0.404 17805 562 1 2 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.549 0.292 17805 563 1 2 . 1 1 23 23 ASP C C 23 178.264 178.264 176.003 2.261 17805 564 1 2 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.666 -1.444 17805 565 1 2 . 1 1 23 23 ASP CB C 23 42.782 42.782 41.874 0.908 17805 566 1 2 . 1 1 23 23 ASP H H 23 7.313 7.313 7.697 -0.384 17805 567 1 2 . 1 1 24 24 THR N N 24 107.918 107.918 106.140 1.778 17805 568 1 2 . 1 1 24 24 THR HA H 24 5.328 5.328 4.474 0.854 17805 569 1 2 . 1 1 24 24 THR C C 24 176.363 176.363 173.884 2.479 17805 570 1 2 . 1 1 24 24 THR CA C 24 60.989 60.989 61.396 -0.407 17805 571 1 2 . 1 1 24 24 THR CB C 24 74.287 74.287 70.597 3.690 17805 572 1 2 . 1 1 24 24 THR H H 24 9.630 9.630 7.628 2.002 17805 573 1 2 . 1 1 25 25 VAL N N 25 120.192 120.192 123.441 -3.249 17805 574 1 2 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.719 -0.385 17805 575 1 2 . 1 1 25 25 VAL C C 25 175.092 175.092 177.075 -1.983 17805 576 1 2 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.957 0.669 17805 577 1 2 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.788 0.361 17805 578 1 2 . 1 1 25 25 VAL H H 25 8.260 8.260 8.912 -0.652 17805 579 1 2 . 1 1 26 26 LEU N N 26 119.941 119.941 118.811 1.130 17805 580 1 2 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.041 -0.169 17805 581 1 2 . 1 1 26 26 LEU C C 26 174.996 174.996 178.311 -3.315 17805 582 1 2 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.306 0.286 17805 583 1 2 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.210 0.506 17805 584 1 2 . 1 1 26 26 LEU H H 26 8.523 8.523 8.366 0.157 17805 585 1 2 . 1 1 27 27 ASP N N 27 118.322 118.322 119.930 -1.608 17805 586 1 2 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.441 -0.168 17805 587 1 2 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.880 1.783 17805 588 1 2 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.977 -0.046 17805 589 1 2 . 1 1 27 27 ASP H H 27 7.581 7.581 8.138 -0.557 17805 590 1 2 . 1 1 28 28 LEU N N 28 122.021 122.021 121.680 0.341 17805 591 1 2 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.160 -0.077 17805 592 1 2 . 1 1 28 28 LEU C C 28 175.514 175.514 178.604 -3.090 17805 593 1 2 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.034 0.738 17805 594 1 2 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.297 -1.072 17805 595 1 2 . 1 1 28 28 LEU H H 28 7.837 7.837 8.006 -0.169 17805 596 1 2 . 1 1 29 29 LYS N N 29 119.086 119.086 119.277 -0.191 17805 597 1 2 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.895 0.625 17805 598 1 2 . 1 1 29 29 LYS C C 29 172.261 172.261 178.756 -6.495 17805 599 1 2 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.863 -0.076 17805 600 1 2 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.865 2.432 17805 601 1 2 . 1 1 29 29 LYS H H 29 8.467 8.467 8.718 -0.251 17805 602 1 2 . 1 1 30 30 GLN N N 30 119.268 119.268 118.332 0.936 17805 603 1 2 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.024 -0.092 17805 604 1 2 . 1 1 30 30 GLN C C 30 174.240 174.240 178.396 -4.156 17805 605 1 2 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.528 1.135 17805 606 1 2 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.041 -0.235 17805 607 1 2 . 1 1 30 30 GLN H H 30 9.049 9.049 7.834 1.215 17805 608 1 2 . 1 1 31 31 PHE N N 31 121.690 121.690 120.836 0.854 17805 609 1 2 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.207 0.011 17805 610 1 2 . 1 1 31 31 PHE C C 31 173.970 173.970 177.525 -3.555 17805 611 1 2 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.121 0.846 17805 612 1 2 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.383 -0.009 17805 613 1 2 . 1 1 31 31 PHE H H 31 8.039 8.039 7.774 0.265 17805 614 1 2 . 1 1 32 32 LEU N N 32 118.232 118.232 117.164 1.068 17805 615 1 2 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.991 -0.354 17805 616 1 2 . 1 1 32 32 LEU C C 32 172.367 172.367 178.175 -5.808 17805 617 1 2 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.880 -0.173 17805 618 1 2 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.857 0.413 17805 619 1 2 . 1 1 32 32 LEU H H 32 8.776 8.776 8.165 0.611 17805 620 1 2 . 1 1 33 33 LYS N N 33 125.920 125.920 119.816 6.104 17805 621 1 2 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.113 -0.311 17805 622 1 2 . 1 1 33 33 LYS C C 33 173.820 173.820 178.781 -4.961 17805 623 1 2 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.594 1.522 17805 624 1 2 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.270 0.431 17805 625 1 2 . 1 1 33 33 LYS H H 33 8.237 8.237 8.554 -0.317 17805 626 1 2 . 1 1 34 34 THR N N 34 114.544 114.544 113.855 0.689 17805 627 1 2 . 1 1 34 34 THR HA H 34 3.773 3.773 4.071 -0.298 17805 628 1 2 . 1 1 34 34 THR C C 34 177.649 177.649 175.658 1.991 17805 629 1 2 . 1 1 34 34 THR CA C 34 65.749 65.749 64.019 1.730 17805 630 1 2 . 1 1 34 34 THR CB C 34 68.620 68.620 68.494 0.126 17805 631 1 2 . 1 1 34 34 THR H H 34 7.281 7.281 7.468 -0.187 17805 632 1 2 . 1 1 35 35 LEU N N 35 117.590 117.590 119.084 -1.494 17805 633 1 2 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.172 -0.154 17805 634 1 2 . 1 1 35 35 LEU C C 35 175.105 175.105 177.619 -2.514 17805 635 1 2 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.939 1.076 17805 636 1 2 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.327 1.677 17805 637 1 2 . 1 1 35 35 LEU H H 35 6.752 6.752 7.376 -0.624 17805 638 1 2 . 1 1 36 36 THR N N 36 104.865 104.865 107.148 -2.283 17805 639 1 2 . 1 1 36 36 THR HA H 36 3.967 3.967 4.501 -0.534 17805 640 1 2 . 1 1 36 36 THR C C 36 178.094 178.094 175.985 2.109 17805 641 1 2 . 1 1 36 36 THR CA C 36 62.756 62.756 62.400 0.356 17805 642 1 2 . 1 1 36 36 THR CB C 36 72.343 72.343 70.824 1.519 17805 643 1 2 . 1 1 36 36 THR H H 36 7.675 7.675 8.108 -0.433 17805 644 1 2 . 1 1 37 37 GLY N N 37 109.795 109.795 110.305 -0.510 17805 645 1 2 . 1 1 37 37 GLY C C 37 179.368 179.368 174.048 5.320 17805 646 1 2 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.855 -0.296 17805 647 1 2 . 1 1 37 37 GLY H H 37 7.971 7.971 8.412 -0.441 17805 648 1 2 . 1 1 38 38 VAL N N 38 122.557 122.557 123.534 -0.977 17805 649 1 2 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.128 -0.490 17805 650 1 2 . 1 1 38 38 VAL C C 38 177.289 177.289 174.964 2.325 17805 651 1 2 . 1 1 38 38 VAL CA C 38 62.437 62.437 62.085 0.352 17805 652 1 2 . 1 1 38 38 VAL CB C 38 31.390 31.390 31.776 -0.386 17805 653 1 2 . 1 1 38 38 VAL H H 38 7.533 7.533 7.020 0.513 17805 654 1 2 . 1 1 39 39 LEU N N 39 127.828 127.828 122.315 5.513 17805 655 1 2 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.890 -0.896 17805 656 1 2 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.974 3.463 17805 657 1 2 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.543 0.014 17805 658 1 2 . 1 1 39 39 LEU H H 39 8.634 8.634 8.362 0.272 17805 659 1 2 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.593 -0.754 17805 660 1 2 . 1 1 40 40 PRO C C 40 174.857 174.857 177.367 -2.510 17805 661 1 2 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.609 2.381 17805 662 1 2 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.945 0.377 17805 663 1 2 . 1 1 41 41 GLU N N 41 114.752 114.752 115.470 -0.718 17805 664 1 2 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.106 -0.035 17805 665 1 2 . 1 1 41 41 GLU C C 41 176.350 176.350 177.491 -1.141 17805 666 1 2 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.940 0.998 17805 667 1 2 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.130 -0.305 17805 668 1 2 . 1 1 41 41 GLU H H 41 9.746 9.746 8.715 1.031 17805 669 1 2 . 1 1 42 42 ARG N N 42 118.145 118.145 117.156 0.989 17805 670 1 2 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.434 -0.119 17805 671 1 2 . 1 1 42 42 ARG C C 42 177.731 177.731 176.491 1.240 17805 672 1 2 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.757 -1.308 17805 673 1 2 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.995 -0.890 17805 674 1 2 . 1 1 42 42 ARG H H 42 7.938 7.938 7.511 0.427 17805 675 1 2 . 1 1 43 43 GLN N N 43 118.250 118.250 116.267 1.983 17805 676 1 2 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.745 -0.494 17805 677 1 2 . 1 1 43 43 GLN C C 43 176.186 176.186 173.856 2.330 17805 678 1 2 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.161 2.376 17805 679 1 2 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.234 -1.242 17805 680 1 2 . 1 1 43 43 GLN H H 43 7.034 7.034 7.602 -0.568 17805 681 1 2 . 1 1 44 44 LYS N N 44 122.693 122.693 118.667 4.026 17805 682 1 2 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.693 -0.229 17805 683 1 2 . 1 1 44 44 LYS C C 44 178.040 178.040 174.404 3.636 17805 684 1 2 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.587 0.965 17805 685 1 2 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.754 -0.429 17805 686 1 2 . 1 1 44 44 LYS H H 44 8.806 8.806 8.034 0.772 17805 687 1 2 . 1 1 45 45 LEU N N 45 124.806 124.806 122.772 2.034 17805 688 1 2 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.716 0.227 17805 689 1 2 . 1 1 45 45 LEU C C 45 176.506 176.506 177.961 -1.455 17805 690 1 2 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.951 -0.409 17805 691 1 2 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.043 -0.222 17805 692 1 2 . 1 1 45 45 LEU H H 45 8.704 8.704 8.644 0.060 17805 693 1 2 . 1 1 46 46 LEU N N 46 124.709 124.709 125.741 -1.032 17805 694 1 2 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.075 0.283 17805 695 1 2 . 1 1 46 46 LEU C C 46 175.289 175.289 176.501 -1.212 17805 696 1 2 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.466 -0.707 17805 697 1 2 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.753 0.773 17805 698 1 2 . 1 1 46 46 LEU H H 46 8.751 8.751 8.657 0.094 17805 699 1 2 . 1 1 47 47 GLY N N 47 109.276 109.276 113.774 -4.498 17805 700 1 2 . 1 1 47 47 GLY C C 47 179.057 179.057 172.467 6.590 17805 701 1 2 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.353 0.207 17805 702 1 2 . 1 1 47 47 GLY H H 47 8.300 8.300 8.154 0.146 17805 703 1 2 . 1 1 48 48 LEU N N 48 119.707 119.707 120.583 -0.876 17805 704 1 2 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.818 -0.228 17805 705 1 2 . 1 1 48 48 LEU C C 48 177.598 177.598 175.309 2.289 17805 706 1 2 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.278 0.667 17805 707 1 2 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.159 -4.745 17805 708 1 2 . 1 1 48 48 LEU H H 48 7.581 7.581 8.269 -0.688 17805 709 1 2 . 1 1 49 49 LYS N N 49 124.527 124.527 119.339 5.188 17805 710 1 2 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.804 0.048 17805 711 1 2 . 1 1 49 49 LYS C C 49 178.059 178.059 175.237 2.822 17805 712 1 2 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.670 0.992 17805 713 1 2 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.969 3.611 17805 714 1 2 . 1 1 49 49 LYS H H 49 8.606 8.606 8.176 0.430 17805 715 1 2 . 1 1 50 50 VAL N N 50 119.184 119.184 124.432 -5.248 17805 716 1 2 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.380 -0.267 17805 717 1 2 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.167 1.698 17805 718 1 2 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.074 0.660 17805 719 1 2 . 1 1 50 50 VAL H H 50 8.799 8.799 8.501 0.298 17805 720 1 2 . 1 1 51 51 LYS N N 51 127.069 127.069 128.146 -1.077 17805 721 1 2 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.997 -0.173 17805 722 1 2 . 1 1 51 51 LYS C C 51 176.418 176.418 176.476 -0.058 17805 723 1 2 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.977 0.430 17805 724 1 2 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.827 0.828 17805 725 1 2 . 1 1 51 51 LYS H H 51 9.451 9.451 9.208 0.243 17805 726 1 2 . 1 1 52 52 GLY N N 52 102.671 102.671 102.694 -0.023 17805 727 1 2 . 1 1 52 52 GLY C C 52 179.392 179.392 174.500 4.892 17805 728 1 2 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.089 0.721 17805 729 1 2 . 1 1 52 52 GLY H H 52 8.512 8.512 8.422 0.090 17805 730 1 2 . 1 1 53 53 LYS N N 53 121.307 121.307 121.715 -0.408 17805 731 1 2 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.785 0.044 17805 732 1 2 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.001 0.615 17805 733 1 2 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.372 0.568 17805 734 1 2 . 1 1 53 53 LYS H H 53 7.781 7.781 7.876 -0.095 17805 735 1 2 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.338 0.038 17805 736 1 2 . 1 1 54 54 PRO C C 54 175.954 175.954 176.060 -0.106 17805 737 1 2 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.744 1.073 17805 738 1 2 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.728 2.423 17805 739 1 2 . 1 1 55 55 ALA N N 55 125.654 125.654 122.757 2.897 17805 740 1 2 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.902 0.236 17805 741 1 2 . 1 1 55 55 ALA C C 55 175.977 175.977 176.975 -0.998 17805 742 1 2 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.602 0.062 17805 743 1 2 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.228 1.816 17805 744 1 2 . 1 1 55 55 ALA H H 55 8.114 8.114 8.202 -0.088 17805 745 1 2 . 1 1 56 56 GLU N N 56 122.313 122.313 121.164 1.149 17805 746 1 2 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.067 0.148 17805 747 1 2 . 1 1 56 56 GLU C C 56 176.924 176.924 177.355 -0.431 17805 748 1 2 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.728 -0.639 17805 749 1 2 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.374 0.712 17805 750 1 2 . 1 1 56 56 GLU H H 56 8.179 8.179 8.434 -0.255 17805 751 1 2 . 1 1 57 57 ASN N N 57 115.140 115.140 118.642 -3.502 17805 752 1 2 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.489 -0.260 17805 753 1 2 . 1 1 57 57 ASN C C 57 177.457 177.457 176.675 0.782 17805 754 1 2 . 1 1 57 57 ASN CA C 57 55.199 55.199 55.982 -0.783 17805 755 1 2 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.359 0.868 17805 756 1 2 . 1 1 57 57 ASN H H 57 8.504 8.504 8.701 -0.197 17805 757 1 2 . 1 1 58 58 ASP N N 58 112.832 112.832 117.903 -5.071 17805 758 1 2 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.542 -0.054 17805 759 1 2 . 1 1 58 58 ASP C C 58 177.255 177.255 175.616 1.639 17805 760 1 2 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.311 -0.703 17805 761 1 2 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.950 -0.646 17805 762 1 2 . 1 1 58 58 ASP H H 58 8.198 8.198 8.462 -0.264 17805 763 1 2 . 1 1 59 59 VAL N N 59 122.073 122.073 120.988 1.085 17805 764 1 2 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.940 -0.347 17805 765 1 2 . 1 1 59 59 VAL C C 59 177.321 177.321 176.116 1.205 17805 766 1 2 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.992 0.848 17805 767 1 2 . 1 1 59 59 VAL CB C 59 32.322 32.322 31.927 0.395 17805 768 1 2 . 1 1 59 59 VAL H H 59 7.353 7.353 7.030 0.323 17805 769 1 2 . 1 1 60 60 LYS N N 60 125.064 125.064 126.705 -1.641 17805 770 1 2 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.110 0.337 17805 771 1 2 . 1 1 60 60 LYS C C 60 174.649 174.649 177.251 -2.602 17805 772 1 2 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.972 -0.787 17805 773 1 2 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.629 0.476 17805 774 1 2 . 1 1 60 60 LYS H H 60 8.339 8.339 8.537 -0.198 17805 775 1 2 . 1 1 61 61 LEU N N 61 121.612 121.612 121.098 0.514 17805 776 1 2 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.255 -0.479 17805 777 1 2 . 1 1 61 61 LEU C C 61 171.906 171.906 179.128 -7.222 17805 778 1 2 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.924 1.063 17805 779 1 2 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.993 -0.161 17805 780 1 2 . 1 1 61 61 LEU H H 61 9.423 9.423 8.530 0.893 17805 781 1 2 . 1 1 62 62 GLY N N 62 104.008 104.008 105.120 -1.112 17805 782 1 2 . 1 1 62 62 GLY C C 62 177.869 177.869 175.060 2.809 17805 783 1 2 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.817 -0.045 17805 784 1 2 . 1 1 62 62 GLY H H 62 9.107 9.107 7.649 1.458 17805 785 1 2 . 1 1 63 63 ALA N N 63 122.025 122.025 123.509 -1.484 17805 786 1 2 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.111 0.162 17805 787 1 2 . 1 1 63 63 ALA C C 63 174.499 174.499 178.177 -3.678 17805 788 1 2 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.236 -0.815 17805 789 1 2 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.901 -0.085 17805 790 1 2 . 1 1 63 63 ALA H H 63 7.755 7.755 8.063 -0.308 17805 791 1 2 . 1 1 64 64 LEU N N 64 115.454 115.454 113.793 1.661 17805 792 1 2 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.532 -0.464 17805 793 1 2 . 1 1 64 64 LEU C C 64 177.197 177.197 177.754 -0.557 17805 794 1 2 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.322 0.245 17805 795 1 2 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.342 -0.206 17805 796 1 2 . 1 1 64 64 LEU H H 64 7.214 7.214 7.506 -0.292 17805 797 1 2 . 1 1 65 65 LYS N N 65 114.830 114.830 118.813 -3.983 17805 798 1 2 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.048 -0.210 17805 799 1 2 . 1 1 65 65 LYS C C 65 177.061 177.061 176.913 0.148 17805 800 1 2 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.721 -1.984 17805 801 1 2 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.002 -3.696 17805 802 1 2 . 1 1 65 65 LYS H H 65 7.642 7.642 7.981 -0.339 17805 803 1 2 . 1 1 66 66 LEU N N 66 119.305 119.305 111.269 8.036 17805 804 1 2 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.548 -0.385 17805 805 1 2 . 1 1 66 66 LEU C C 66 175.393 175.393 175.743 -0.350 17805 806 1 2 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.474 0.373 17805 807 1 2 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.864 -0.151 17805 808 1 2 . 1 1 66 66 LEU H H 66 8.516 8.516 7.478 1.038 17805 809 1 2 . 1 1 67 67 LYS N N 67 121.480 121.480 120.222 1.258 17805 810 1 2 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.542 -0.045 17805 811 1 2 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.091 -1.939 17805 812 1 2 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.766 0.233 17805 813 1 2 . 1 1 67 67 LYS H H 67 7.955 7.955 8.375 -0.420 17805 814 1 2 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.305 -0.136 17805 815 1 2 . 1 1 68 68 PRO C C 68 176.609 176.609 177.872 -1.263 17805 816 1 2 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.506 -1.117 17805 817 1 2 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.926 0.288 17805 818 1 2 . 1 1 69 69 ASN N N 69 115.414 115.414 117.202 -1.788 17805 819 1 2 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.481 -0.519 17805 820 1 2 . 1 1 69 69 ASN C C 69 178.824 178.824 175.524 3.300 17805 821 1 2 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.182 -0.161 17805 822 1 2 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.455 -0.408 17805 823 1 2 . 1 1 69 69 ASN H H 69 8.966 8.966 8.652 0.314 17805 824 1 2 . 1 1 70 70 THR N N 70 115.426 115.426 117.111 -1.685 17805 825 1 2 . 1 1 70 70 THR HA H 70 3.949 3.949 4.383 -0.434 17805 826 1 2 . 1 1 70 70 THR C C 70 180.592 180.592 173.571 7.021 17805 827 1 2 . 1 1 70 70 THR CA C 70 65.247 65.247 63.240 2.007 17805 828 1 2 . 1 1 70 70 THR CB C 70 70.132 70.132 69.729 0.403 17805 829 1 2 . 1 1 70 70 THR H H 70 7.712 7.712 7.642 0.070 17805 830 1 2 . 1 1 71 71 LYS N N 71 124.603 124.603 123.359 1.244 17805 831 1 2 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.983 0.196 17805 832 1 2 . 1 1 71 71 LYS C C 71 177.157 177.157 176.383 0.774 17805 833 1 2 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.556 -0.216 17805 834 1 2 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.815 -0.086 17805 835 1 2 . 1 1 71 71 LYS H H 71 8.284 8.284 8.268 0.016 17805 836 1 2 . 1 1 72 72 ILE N N 72 123.505 123.505 119.807 3.698 17805 837 1 2 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.528 -0.017 17805 838 1 2 . 1 1 72 72 ILE C C 72 178.360 178.360 175.190 3.170 17805 839 1 2 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.462 0.174 17805 840 1 2 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.747 0.080 17805 841 1 2 . 1 1 72 72 ILE H H 72 9.142 9.142 9.047 0.095 17805 842 1 2 . 1 1 73 73 MET N N 73 123.090 123.090 121.452 1.638 17805 843 1 2 . 1 1 73 73 MET HA H 73 5.122 5.122 4.929 0.193 17805 844 1 2 . 1 1 73 73 MET C C 73 179.095 179.095 175.319 3.776 17805 845 1 2 . 1 1 73 73 MET CA C 73 54.949 54.949 54.854 0.095 17805 846 1 2 . 1 1 73 73 MET CB C 73 35.143 35.143 35.525 -0.382 17805 847 1 2 . 1 1 73 73 MET H H 73 8.556 8.556 8.672 -0.116 17805 848 1 2 . 1 1 74 74 MET N N 74 124.481 124.481 122.369 2.112 17805 849 1 2 . 1 1 74 74 MET HA H 74 5.288 5.288 4.705 0.583 17805 850 1 2 . 1 1 74 74 MET C C 74 178.476 178.476 175.291 3.185 17805 851 1 2 . 1 1 74 74 MET CA C 74 54.862 54.862 55.196 -0.334 17805 852 1 2 . 1 1 74 74 MET CB C 74 36.294 36.294 34.003 2.291 17805 853 1 2 . 1 1 74 74 MET H H 74 8.924 8.924 8.807 0.117 17805 854 1 2 . 1 1 75 75 MET N N 75 123.963 123.963 125.075 -1.112 17805 855 1 2 . 1 1 75 75 MET HA H 75 5.093 5.093 4.785 0.308 17805 856 1 2 . 1 1 75 75 MET C C 75 177.842 177.842 174.801 3.041 17805 857 1 2 . 1 1 75 75 MET CA C 75 54.265 54.265 54.612 -0.347 17805 858 1 2 . 1 1 75 75 MET CB C 75 35.566 35.566 33.089 2.477 17805 859 1 2 . 1 1 75 75 MET H H 75 9.112 9.112 8.073 1.039 17805 860 1 2 . 1 1 76 76 GLY N N 76 109.773 109.773 110.574 -0.801 17805 861 1 2 . 1 1 76 76 GLY C C 76 180.165 180.165 172.523 7.642 17805 862 1 2 . 1 1 76 76 GLY CA C 76 45.901 45.901 44.996 0.905 17805 863 1 2 . 1 1 76 76 GLY H H 76 8.711 8.711 8.309 0.402 17805 864 1 2 . 1 1 77 77 THR N N 77 113.345 113.345 114.732 -1.387 17805 865 1 2 . 1 1 77 77 THR HA H 77 4.787 4.787 4.669 0.118 17805 866 1 2 . 1 1 77 77 THR C C 77 178.955 178.955 174.004 4.951 17805 867 1 2 . 1 1 77 77 THR CA C 77 60.728 60.728 59.676 1.052 17805 868 1 2 . 1 1 77 77 THR CB C 77 71.481 71.481 70.906 0.575 17805 869 1 2 . 1 1 77 77 THR H H 77 8.280 8.280 8.141 0.139 17805 870 1 2 . 1 1 78 78 ARG N N 78 122.844 122.844 124.437 -1.593 17805 871 1 2 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.284 -0.136 17805 872 1 2 . 1 1 78 78 ARG C C 78 177.011 177.011 175.859 1.152 17805 873 1 2 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.692 1.189 17805 874 1 2 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.953 0.654 17805 875 1 2 . 1 1 78 78 ARG H H 78 8.852 8.852 8.494 0.358 17805 876 1 2 . 1 1 79 79 GLU N N 79 122.181 122.181 120.787 1.394 17805 877 1 2 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.131 0.075 17805 878 1 2 . 1 1 79 79 GLU C C 79 176.784 176.784 176.339 0.445 17805 879 1 2 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.690 0.317 17805 880 1 2 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.137 0.627 17805 881 1 2 . 1 1 79 79 GLU H H 79 8.300 8.300 8.436 -0.136 17805 882 1 2 . 1 1 80 80 GLU N N 80 126.965 126.965 122.482 4.483 17805 883 1 2 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.424 -0.375 17805 884 1 2 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.561 2.767 17805 885 1 2 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.810 1.477 17805 886 1 2 . 1 1 80 80 GLU H H 80 8.015 8.015 8.634 -0.619 17805 887 1 3 . 1 1 2 2 ALA N N 2 126.014 126.014 125.680 0.334 17805 888 1 3 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.698 -0.665 17805 889 1 3 . 1 1 2 2 ALA C C 2 176.202 176.202 176.041 0.161 17805 890 1 3 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.319 1.895 17805 891 1 3 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.745 -0.369 17805 892 1 3 . 1 1 2 2 ALA H H 2 8.410 8.410 8.516 -0.106 17805 893 1 3 . 1 1 3 3 LEU N N 3 123.255 123.255 124.795 -1.540 17805 894 1 3 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.627 0.019 17805 895 1 3 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.792 0.025 17805 896 1 3 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.785 0.772 17805 897 1 3 . 1 1 3 3 LEU H H 3 8.271 8.271 8.554 -0.283 17805 898 1 3 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.745 -0.139 17805 899 1 3 . 1 1 4 4 PRO C C 4 179.796 179.796 175.591 4.205 17805 900 1 3 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.336 0.904 17805 901 1 3 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.887 -0.817 17805 902 1 3 . 1 1 5 5 ILE N N 5 122.161 122.161 117.704 4.457 17805 903 1 3 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.783 -0.424 17805 904 1 3 . 1 1 5 5 ILE C C 5 179.202 179.202 175.615 3.587 17805 905 1 3 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.156 0.677 17805 906 1 3 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.515 1.428 17805 907 1 3 . 1 1 5 5 ILE H H 5 8.317 8.317 7.790 0.527 17805 908 1 3 . 1 1 6 6 ILE N N 6 125.649 125.649 127.883 -2.234 17805 909 1 3 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.448 0.473 17805 910 1 3 . 1 1 6 6 ILE C C 6 178.393 178.393 174.937 3.456 17805 911 1 3 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.070 -1.205 17805 912 1 3 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.404 0.860 17805 913 1 3 . 1 1 6 6 ILE H H 6 8.408 8.408 8.141 0.267 17805 914 1 3 . 1 1 7 7 VAL N N 7 125.741 125.741 126.808 -1.067 17805 915 1 3 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.750 0.180 17805 916 1 3 . 1 1 7 7 VAL C C 7 178.215 178.215 174.912 3.303 17805 917 1 3 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.715 -0.352 17805 918 1 3 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.474 0.285 17805 919 1 3 . 1 1 7 7 VAL H H 7 9.155 9.155 8.948 0.207 17805 920 1 3 . 1 1 8 8 LYS N N 8 128.098 128.098 126.355 1.743 17805 921 1 3 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.419 -0.187 17805 922 1 3 . 1 1 8 8 LYS C C 8 178.353 178.353 174.369 3.984 17805 923 1 3 . 1 1 8 8 LYS CA C 8 55.275 55.275 55.254 0.021 17805 924 1 3 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.289 -0.354 17805 925 1 3 . 1 1 8 8 LYS H H 8 9.174 9.174 8.845 0.329 17805 926 1 3 . 1 1 9 9 TRP N N 9 125.952 125.952 127.797 -1.845 17805 927 1 3 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.136 0.049 17805 928 1 3 . 1 1 9 9 TRP C C 9 176.432 176.432 175.685 0.747 17805 929 1 3 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.584 1.150 17805 930 1 3 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.125 -1.564 17805 931 1 3 . 1 1 9 9 TRP H H 9 8.844 8.844 9.116 -0.272 17805 932 1 3 . 1 1 10 10 GLY N N 10 117.044 117.044 115.872 1.172 17805 933 1 3 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.150 1.951 17805 934 1 3 . 1 1 10 10 GLY H H 10 8.683 8.683 8.520 0.163 17805 935 1 3 . 1 1 11 11 GLY N N 11 109.364 109.364 105.678 3.686 17805 936 1 3 . 1 1 11 11 GLY C C 11 179.353 179.353 174.445 4.908 17805 937 1 3 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.738 0.722 17805 938 1 3 . 1 1 11 11 GLY H H 11 8.600 8.600 8.197 0.403 17805 939 1 3 . 1 1 12 12 GLN N N 12 119.388 119.388 120.818 -1.430 17805 940 1 3 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.286 0.197 17805 941 1 3 . 1 1 12 12 GLN C C 12 179.098 179.098 174.987 4.111 17805 942 1 3 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.688 -0.186 17805 943 1 3 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.725 2.453 17805 944 1 3 . 1 1 12 12 GLN H H 12 7.865 7.865 7.909 -0.044 17805 945 1 3 . 1 1 13 13 GLU N N 13 119.756 119.756 121.198 -1.442 17805 946 1 3 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.276 -0.396 17805 947 1 3 . 1 1 13 13 GLU C C 13 177.641 177.641 175.547 2.094 17805 948 1 3 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.102 0.553 17805 949 1 3 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.075 0.231 17805 950 1 3 . 1 1 13 13 GLU H H 13 8.172 8.172 8.242 -0.070 17805 951 1 3 . 1 1 14 14 TYR N N 14 122.812 122.812 125.207 -2.395 17805 952 1 3 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.868 -0.267 17805 953 1 3 . 1 1 14 14 TYR C C 14 177.990 177.990 174.988 3.002 17805 954 1 3 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.708 0.538 17805 955 1 3 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.679 -0.136 17805 956 1 3 . 1 1 14 14 TYR H H 14 9.381 9.381 9.087 0.294 17805 957 1 3 . 1 1 15 15 SER N N 15 118.339 118.339 118.837 -0.498 17805 958 1 3 . 1 1 15 15 SER HA H 15 4.747 4.747 5.366 -0.619 17805 959 1 3 . 1 1 15 15 SER C C 15 178.924 178.924 174.071 4.853 17805 960 1 3 . 1 1 15 15 SER CA C 15 58.099 58.099 57.201 0.898 17805 961 1 3 . 1 1 15 15 SER CB C 15 63.394 63.394 65.011 -1.617 17805 962 1 3 . 1 1 15 15 SER H H 15 8.802 8.802 8.772 0.030 17805 963 1 3 . 1 1 16 16 VAL N N 16 128.611 128.611 120.643 7.968 17805 964 1 3 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.499 -0.294 17805 965 1 3 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.514 1.830 17805 966 1 3 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.078 -1.550 17805 967 1 3 . 1 1 16 16 VAL H H 16 9.005 9.005 8.419 0.586 17805 968 1 3 . 1 1 17 17 THR N N 17 116.170 116.170 115.132 1.038 17805 969 1 3 . 1 1 17 17 THR HA H 17 4.533 4.533 4.482 0.050 17805 970 1 3 . 1 1 17 17 THR C C 17 177.649 177.649 173.975 3.674 17805 971 1 3 . 1 1 17 17 THR CA C 17 62.331 62.331 62.117 0.214 17805 972 1 3 . 1 1 17 17 THR CB C 17 70.040 70.040 68.987 1.053 17805 973 1 3 . 1 1 17 17 THR H H 17 8.746 8.746 8.361 0.385 17805 974 1 3 . 1 1 18 18 THR N N 18 107.517 107.517 114.305 -6.788 17805 975 1 3 . 1 1 18 18 THR HA H 18 4.173 4.173 4.308 -0.135 17805 976 1 3 . 1 1 18 18 THR C C 18 178.498 178.498 173.535 4.963 17805 977 1 3 . 1 1 18 18 THR CA C 18 61.772 61.772 62.341 -0.569 17805 978 1 3 . 1 1 18 18 THR CB C 18 69.121 69.121 68.960 0.161 17805 979 1 3 . 1 1 18 18 THR H H 18 6.812 6.812 8.050 -1.238 17805 980 1 3 . 1 1 19 19 LEU N N 19 123.019 123.019 117.196 5.823 17805 981 1 3 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.697 -0.114 17805 982 1 3 . 1 1 19 19 LEU C C 19 177.299 177.299 174.675 2.624 17805 983 1 3 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.633 1.547 17805 984 1 3 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.716 -2.005 17805 985 1 3 . 1 1 19 19 LEU H H 19 8.388 8.388 7.177 1.211 17805 986 1 3 . 1 1 20 20 SER N N 20 117.870 117.870 113.302 4.568 17805 987 1 3 . 1 1 20 20 SER HA H 20 4.863 4.863 5.095 -0.232 17805 988 1 3 . 1 1 20 20 SER C C 20 177.249 177.249 175.649 1.600 17805 989 1 3 . 1 1 20 20 SER CA C 20 56.832 56.832 56.187 0.645 17805 990 1 3 . 1 1 20 20 SER CB C 20 67.845 67.845 66.657 1.188 17805 991 1 3 . 1 1 20 20 SER H H 20 9.714 9.714 8.097 1.617 17805 992 1 3 . 1 1 21 21 GLU N N 21 116.130 116.130 121.878 -5.748 17805 993 1 3 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.918 -0.178 17805 994 1 3 . 1 1 21 21 GLU C C 21 176.555 176.555 176.373 0.182 17805 995 1 3 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.443 -0.309 17805 996 1 3 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.981 1.873 17805 997 1 3 . 1 1 21 21 GLU H H 21 8.491 8.491 9.048 -0.557 17805 998 1 3 . 1 1 22 22 ASP N N 22 115.741 115.741 114.137 1.604 17805 999 1 3 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.538 0.112 17805 1000 1 3 . 1 1 22 22 ASP C C 22 176.555 176.555 176.936 -0.381 17805 1001 1 3 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.627 0.529 17805 1002 1 3 . 1 1 22 22 ASP CB C 22 42.579 42.579 39.931 2.648 17805 1003 1 3 . 1 1 22 22 ASP H H 22 7.936 7.936 8.402 -0.466 17805 1004 1 3 . 1 1 23 23 ASP N N 23 119.945 119.945 120.181 -0.236 17805 1005 1 3 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.588 0.253 17805 1006 1 3 . 1 1 23 23 ASP C C 23 178.264 178.264 175.972 2.292 17805 1007 1 3 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.272 -1.049 17805 1008 1 3 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.222 0.560 17805 1009 1 3 . 1 1 23 23 ASP H H 23 7.313 7.313 8.176 -0.863 17805 1010 1 3 . 1 1 24 24 THR N N 24 107.918 107.918 106.822 1.096 17805 1011 1 3 . 1 1 24 24 THR HA H 24 5.328 5.328 4.596 0.732 17805 1012 1 3 . 1 1 24 24 THR C C 24 176.363 176.363 174.216 2.147 17805 1013 1 3 . 1 1 24 24 THR CA C 24 60.989 60.989 61.453 -0.465 17805 1014 1 3 . 1 1 24 24 THR CB C 24 74.287 74.287 70.406 3.881 17805 1015 1 3 . 1 1 24 24 THR H H 24 9.630 9.630 7.570 2.060 17805 1016 1 3 . 1 1 25 25 VAL N N 25 120.192 120.192 123.138 -2.946 17805 1017 1 3 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.659 -0.325 17805 1018 1 3 . 1 1 25 25 VAL C C 25 175.092 175.092 176.894 -1.802 17805 1019 1 3 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.473 0.153 17805 1020 1 3 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.038 0.111 17805 1021 1 3 . 1 1 25 25 VAL H H 25 8.260 8.260 8.955 -0.695 17805 1022 1 3 . 1 1 26 26 LEU N N 26 119.941 119.941 118.620 1.321 17805 1023 1 3 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.065 -0.193 17805 1024 1 3 . 1 1 26 26 LEU C C 26 174.996 174.996 178.367 -3.371 17805 1025 1 3 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.806 0.786 17805 1026 1 3 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.371 0.345 17805 1027 1 3 . 1 1 26 26 LEU H H 26 8.523 8.523 8.076 0.447 17805 1028 1 3 . 1 1 27 27 ASP N N 27 118.322 118.322 120.010 -1.688 17805 1029 1 3 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.439 -0.167 17805 1030 1 3 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.029 1.634 17805 1031 1 3 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.015 -0.084 17805 1032 1 3 . 1 1 27 27 ASP H H 27 7.581 7.581 8.133 -0.552 17805 1033 1 3 . 1 1 28 28 LEU N N 28 122.021 122.021 121.650 0.371 17805 1034 1 3 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.160 -0.077 17805 1035 1 3 . 1 1 28 28 LEU C C 28 175.514 175.514 178.686 -3.172 17805 1036 1 3 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.938 0.834 17805 1037 1 3 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.295 -1.070 17805 1038 1 3 . 1 1 28 28 LEU H H 28 7.837 7.837 7.974 -0.137 17805 1039 1 3 . 1 1 29 29 LYS N N 29 119.086 119.086 119.405 -0.319 17805 1040 1 3 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.895 0.625 17805 1041 1 3 . 1 1 29 29 LYS C C 29 172.261 172.261 178.753 -6.492 17805 1042 1 3 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.897 -0.110 17805 1043 1 3 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.854 2.443 17805 1044 1 3 . 1 1 29 29 LYS H H 29 8.467 8.467 8.742 -0.275 17805 1045 1 3 . 1 1 30 30 GLN N N 30 119.268 119.268 118.280 0.988 17805 1046 1 3 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.029 -0.097 17805 1047 1 3 . 1 1 30 30 GLN C C 30 174.240 174.240 178.402 -4.162 17805 1048 1 3 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.522 1.141 17805 1049 1 3 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.063 -0.257 17805 1050 1 3 . 1 1 30 30 GLN H H 30 9.049 9.049 7.835 1.214 17805 1051 1 3 . 1 1 31 31 PHE N N 31 121.690 121.690 120.839 0.851 17805 1052 1 3 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.220 -0.002 17805 1053 1 3 . 1 1 31 31 PHE C C 31 173.970 173.970 177.518 -3.548 17805 1054 1 3 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.076 0.891 17805 1055 1 3 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.441 -0.067 17805 1056 1 3 . 1 1 31 31 PHE H H 31 8.039 8.039 7.749 0.290 17805 1057 1 3 . 1 1 32 32 LEU N N 32 118.232 118.232 117.230 1.002 17805 1058 1 3 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.990 -0.353 17805 1059 1 3 . 1 1 32 32 LEU C C 32 172.367 172.367 178.263 -5.896 17805 1060 1 3 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.979 -0.271 17805 1061 1 3 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.973 0.297 17805 1062 1 3 . 1 1 32 32 LEU H H 32 8.776 8.776 8.406 0.370 17805 1063 1 3 . 1 1 33 33 LYS N N 33 125.920 125.920 120.180 5.740 17805 1064 1 3 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.089 -0.287 17805 1065 1 3 . 1 1 33 33 LYS C C 33 173.820 173.820 178.758 -4.938 17805 1066 1 3 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.690 1.426 17805 1067 1 3 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.275 0.426 17805 1068 1 3 . 1 1 33 33 LYS H H 33 8.237 8.237 8.542 -0.305 17805 1069 1 3 . 1 1 34 34 THR N N 34 114.544 114.544 113.080 1.464 17805 1070 1 3 . 1 1 34 34 THR HA H 34 3.773 3.773 4.034 -0.261 17805 1071 1 3 . 1 1 34 34 THR C C 34 177.649 177.649 175.367 2.282 17805 1072 1 3 . 1 1 34 34 THR CA C 34 65.749 65.749 65.260 0.489 17805 1073 1 3 . 1 1 34 34 THR CB C 34 68.620 68.620 68.703 -0.082 17805 1074 1 3 . 1 1 34 34 THR H H 34 7.281 7.281 7.407 -0.126 17805 1075 1 3 . 1 1 35 35 LEU N N 35 117.590 117.590 119.231 -1.641 17805 1076 1 3 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.160 -0.142 17805 1077 1 3 . 1 1 35 35 LEU C C 35 175.105 175.105 177.675 -2.570 17805 1078 1 3 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.957 1.058 17805 1079 1 3 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.153 1.850 17805 1080 1 3 . 1 1 35 35 LEU H H 35 6.752 6.752 7.397 -0.645 17805 1081 1 3 . 1 1 36 36 THR N N 36 104.865 104.865 108.240 -3.375 17805 1082 1 3 . 1 1 36 36 THR HA H 36 3.967 3.967 4.445 -0.478 17805 1083 1 3 . 1 1 36 36 THR C C 36 178.094 178.094 175.948 2.146 17805 1084 1 3 . 1 1 36 36 THR CA C 36 62.756 62.756 62.971 -0.215 17805 1085 1 3 . 1 1 36 36 THR CB C 36 72.343 72.343 71.357 0.986 17805 1086 1 3 . 1 1 36 36 THR H H 36 7.675 7.675 8.103 -0.428 17805 1087 1 3 . 1 1 37 37 GLY N N 37 109.795 109.795 111.085 -1.290 17805 1088 1 3 . 1 1 37 37 GLY C C 37 179.368 179.368 173.275 6.093 17805 1089 1 3 . 1 1 37 37 GLY CA C 37 45.559 45.559 46.025 -0.466 17805 1090 1 3 . 1 1 37 37 GLY H H 37 7.971 7.971 8.503 -0.532 17805 1091 1 3 . 1 1 38 38 VAL N N 38 122.557 122.557 122.955 -0.398 17805 1092 1 3 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.116 -0.478 17805 1093 1 3 . 1 1 38 38 VAL C C 38 177.289 177.289 174.734 2.555 17805 1094 1 3 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.001 1.436 17805 1095 1 3 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.562 -1.172 17805 1096 1 3 . 1 1 38 38 VAL H H 38 7.533 7.533 6.956 0.577 17805 1097 1 3 . 1 1 39 39 LEU N N 39 127.828 127.828 121.643 6.185 17805 1098 1 3 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.853 -0.859 17805 1099 1 3 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.919 3.518 17805 1100 1 3 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.380 0.177 17805 1101 1 3 . 1 1 39 39 LEU H H 39 8.634 8.634 8.359 0.275 17805 1102 1 3 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.597 -0.758 17805 1103 1 3 . 1 1 40 40 PRO C C 40 174.857 174.857 177.368 -2.511 17805 1104 1 3 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.613 2.376 17805 1105 1 3 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.940 0.382 17805 1106 1 3 . 1 1 41 41 GLU N N 41 114.752 114.752 117.114 -2.362 17805 1107 1 3 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.139 -0.068 17805 1108 1 3 . 1 1 41 41 GLU C C 41 176.350 176.350 177.736 -1.386 17805 1109 1 3 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.645 1.292 17805 1110 1 3 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.222 -0.398 17805 1111 1 3 . 1 1 41 41 GLU H H 41 9.746 9.746 8.586 1.160 17805 1112 1 3 . 1 1 42 42 ARG N N 42 118.145 118.145 117.060 1.085 17805 1113 1 3 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.447 -0.132 17805 1114 1 3 . 1 1 42 42 ARG C C 42 177.731 177.731 176.276 1.455 17805 1115 1 3 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.826 -1.378 17805 1116 1 3 . 1 1 42 42 ARG CB C 42 31.105 31.105 32.047 -0.942 17805 1117 1 3 . 1 1 42 42 ARG H H 42 7.938 7.938 7.522 0.416 17805 1118 1 3 . 1 1 43 43 GLN N N 43 118.250 118.250 115.466 2.784 17805 1119 1 3 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.721 -0.470 17805 1120 1 3 . 1 1 43 43 GLN C C 43 176.186 176.186 173.861 2.325 17805 1121 1 3 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.214 2.323 17805 1122 1 3 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.232 -1.240 17805 1123 1 3 . 1 1 43 43 GLN H H 43 7.034 7.034 7.564 -0.530 17805 1124 1 3 . 1 1 44 44 LYS N N 44 122.693 122.693 118.760 3.933 17805 1125 1 3 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.714 -0.250 17805 1126 1 3 . 1 1 44 44 LYS C C 44 178.040 178.040 174.529 3.511 17805 1127 1 3 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.801 0.751 17805 1128 1 3 . 1 1 44 44 LYS CB C 44 34.325 34.325 35.011 -0.686 17805 1129 1 3 . 1 1 44 44 LYS H H 44 8.806 8.806 8.116 0.690 17805 1130 1 3 . 1 1 45 45 LEU N N 45 124.806 124.806 122.995 1.811 17805 1131 1 3 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.800 0.143 17805 1132 1 3 . 1 1 45 45 LEU C C 45 176.506 176.506 177.809 -1.303 17805 1133 1 3 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.440 0.102 17805 1134 1 3 . 1 1 45 45 LEU CB C 45 41.821 41.821 43.299 -1.478 17805 1135 1 3 . 1 1 45 45 LEU H H 45 8.704 8.704 8.646 0.058 17805 1136 1 3 . 1 1 46 46 LEU N N 46 124.709 124.709 124.732 -0.023 17805 1137 1 3 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.000 0.358 17805 1138 1 3 . 1 1 46 46 LEU C C 46 175.289 175.289 176.848 -1.559 17805 1139 1 3 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.967 -1.208 17805 1140 1 3 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.965 0.561 17805 1141 1 3 . 1 1 46 46 LEU H H 46 8.751 8.751 8.479 0.272 17805 1142 1 3 . 1 1 47 47 GLY N N 47 109.276 109.276 112.214 -2.938 17805 1143 1 3 . 1 1 47 47 GLY C C 47 179.057 179.057 172.733 6.324 17805 1144 1 3 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.068 0.492 17805 1145 1 3 . 1 1 47 47 GLY H H 47 8.300 8.300 8.318 -0.018 17805 1146 1 3 . 1 1 48 48 LEU N N 48 119.707 119.707 121.180 -1.473 17805 1147 1 3 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.703 -0.113 17805 1148 1 3 . 1 1 48 48 LEU C C 48 177.598 177.598 175.041 2.557 17805 1149 1 3 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.507 0.438 17805 1150 1 3 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.407 -4.993 17805 1151 1 3 . 1 1 48 48 LEU H H 48 7.581 7.581 8.358 -0.777 17805 1152 1 3 . 1 1 49 49 LYS N N 49 124.527 124.527 119.434 5.093 17805 1153 1 3 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.822 0.030 17805 1154 1 3 . 1 1 49 49 LYS C C 49 178.059 178.059 175.298 2.761 17805 1155 1 3 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.637 1.026 17805 1156 1 3 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.771 3.810 17805 1157 1 3 . 1 1 49 49 LYS H H 49 8.606 8.606 8.170 0.436 17805 1158 1 3 . 1 1 50 50 VAL N N 50 119.184 119.184 123.540 -4.356 17805 1159 1 3 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.337 -0.224 17805 1160 1 3 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.330 1.535 17805 1161 1 3 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.455 0.279 17805 1162 1 3 . 1 1 50 50 VAL H H 50 8.799 8.799 8.444 0.355 17805 1163 1 3 . 1 1 51 51 LYS N N 51 127.069 127.069 128.064 -0.995 17805 1164 1 3 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.934 -0.110 17805 1165 1 3 . 1 1 51 51 LYS C C 51 176.418 176.418 176.262 0.156 17805 1166 1 3 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.122 0.285 17805 1167 1 3 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.103 0.552 17805 1168 1 3 . 1 1 51 51 LYS H H 51 9.451 9.451 9.265 0.186 17805 1169 1 3 . 1 1 52 52 GLY N N 52 102.671 102.671 102.656 0.015 17805 1170 1 3 . 1 1 52 52 GLY C C 52 179.392 179.392 174.564 4.828 17805 1171 1 3 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.093 0.717 17805 1172 1 3 . 1 1 52 52 GLY H H 52 8.512 8.512 8.461 0.051 17805 1173 1 3 . 1 1 53 53 LYS N N 53 121.307 121.307 121.451 -0.144 17805 1174 1 3 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.702 0.127 17805 1175 1 3 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.134 0.482 17805 1176 1 3 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.437 0.503 17805 1177 1 3 . 1 1 53 53 LYS H H 53 7.781 7.781 8.031 -0.250 17805 1178 1 3 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.383 -0.007 17805 1179 1 3 . 1 1 54 54 PRO C C 54 175.954 175.954 176.008 -0.054 17805 1180 1 3 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.737 1.079 17805 1181 1 3 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.877 2.274 17805 1182 1 3 . 1 1 55 55 ALA N N 55 125.654 125.654 123.048 2.606 17805 1183 1 3 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.934 0.204 17805 1184 1 3 . 1 1 55 55 ALA C C 55 175.977 175.977 176.738 -0.761 17805 1185 1 3 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.593 0.071 17805 1186 1 3 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.212 1.831 17805 1187 1 3 . 1 1 55 55 ALA H H 55 8.114 8.114 8.180 -0.066 17805 1188 1 3 . 1 1 56 56 GLU N N 56 122.313 122.313 121.574 0.739 17805 1189 1 3 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.082 0.133 17805 1190 1 3 . 1 1 56 56 GLU C C 56 176.924 176.924 177.767 -0.843 17805 1191 1 3 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.055 0.034 17805 1192 1 3 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.623 0.463 17805 1193 1 3 . 1 1 56 56 GLU H H 56 8.179 8.179 8.370 -0.191 17805 1194 1 3 . 1 1 57 57 ASN N N 57 115.140 115.140 121.396 -6.256 17805 1195 1 3 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.450 -0.221 17805 1196 1 3 . 1 1 57 57 ASN C C 57 177.457 177.457 176.863 0.594 17805 1197 1 3 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.120 -0.921 17805 1198 1 3 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.244 0.983 17805 1199 1 3 . 1 1 57 57 ASN H H 57 8.504 8.504 8.951 -0.447 17805 1200 1 3 . 1 1 58 58 ASP N N 58 112.832 112.832 116.328 -3.496 17805 1201 1 3 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.527 -0.039 17805 1202 1 3 . 1 1 58 58 ASP C C 58 177.255 177.255 176.557 0.698 17805 1203 1 3 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.225 -1.617 17805 1204 1 3 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.063 -0.759 17805 1205 1 3 . 1 1 58 58 ASP H H 58 8.198 8.198 8.399 -0.201 17805 1206 1 3 . 1 1 59 59 VAL N N 59 122.073 122.073 120.497 1.576 17805 1207 1 3 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.990 -0.397 17805 1208 1 3 . 1 1 59 59 VAL C C 59 177.321 177.321 175.017 2.304 17805 1209 1 3 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.746 1.094 17805 1210 1 3 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.260 -0.938 17805 1211 1 3 . 1 1 59 59 VAL H H 59 7.353 7.353 7.675 -0.322 17805 1212 1 3 . 1 1 60 60 LYS N N 60 125.064 125.064 126.079 -1.015 17805 1213 1 3 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.164 0.283 17805 1214 1 3 . 1 1 60 60 LYS C C 60 174.649 174.649 177.227 -2.578 17805 1215 1 3 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.782 -0.597 17805 1216 1 3 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.860 0.245 17805 1217 1 3 . 1 1 60 60 LYS H H 60 8.339 8.339 8.152 0.187 17805 1218 1 3 . 1 1 61 61 LEU N N 61 121.612 121.612 121.381 0.231 17805 1219 1 3 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.224 -0.448 17805 1220 1 3 . 1 1 61 61 LEU C C 61 171.906 171.906 179.044 -7.138 17805 1221 1 3 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.055 0.932 17805 1222 1 3 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.932 -0.100 17805 1223 1 3 . 1 1 61 61 LEU H H 61 9.423 9.423 8.548 0.875 17805 1224 1 3 . 1 1 62 62 GLY N N 62 104.008 104.008 105.099 -1.091 17805 1225 1 3 . 1 1 62 62 GLY C C 62 177.869 177.869 175.052 2.817 17805 1226 1 3 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.829 -0.057 17805 1227 1 3 . 1 1 62 62 GLY H H 62 9.107 9.107 7.614 1.493 17805 1228 1 3 . 1 1 63 63 ALA N N 63 122.025 122.025 123.244 -1.219 17805 1229 1 3 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.215 0.058 17805 1230 1 3 . 1 1 63 63 ALA C C 63 174.499 174.499 178.311 -3.812 17805 1231 1 3 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.289 -0.868 17805 1232 1 3 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.804 0.012 17805 1233 1 3 . 1 1 63 63 ALA H H 63 7.755 7.755 8.023 -0.268 17805 1234 1 3 . 1 1 64 64 LEU N N 64 115.454 115.454 113.793 1.661 17805 1235 1 3 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.533 -0.465 17805 1236 1 3 . 1 1 64 64 LEU C C 64 177.197 177.197 177.764 -0.567 17805 1237 1 3 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.425 0.142 17805 1238 1 3 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.297 -0.161 17805 1239 1 3 . 1 1 64 64 LEU H H 64 7.214 7.214 7.504 -0.290 17805 1240 1 3 . 1 1 65 65 LYS N N 65 114.830 114.830 118.929 -4.099 17805 1241 1 3 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.073 -0.235 17805 1242 1 3 . 1 1 65 65 LYS C C 65 177.061 177.061 176.994 0.067 17805 1243 1 3 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.715 -1.978 17805 1244 1 3 . 1 1 65 65 LYS CB C 65 29.307 29.307 32.975 -3.668 17805 1245 1 3 . 1 1 65 65 LYS H H 65 7.642 7.642 8.026 -0.384 17805 1246 1 3 . 1 1 66 66 LEU N N 66 119.305 119.305 111.074 8.231 17805 1247 1 3 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.559 -0.396 17805 1248 1 3 . 1 1 66 66 LEU C C 66 175.393 175.393 175.793 -0.400 17805 1249 1 3 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.496 0.351 17805 1250 1 3 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.628 0.084 17805 1251 1 3 . 1 1 66 66 LEU H H 66 8.516 8.516 7.434 1.082 17805 1252 1 3 . 1 1 67 67 LYS N N 67 121.480 121.480 120.604 0.876 17805 1253 1 3 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.542 -0.045 17805 1254 1 3 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.987 -1.835 17805 1255 1 3 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.510 0.489 17805 1256 1 3 . 1 1 67 67 LYS H H 67 7.955 7.955 8.398 -0.443 17805 1257 1 3 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.317 -0.148 17805 1258 1 3 . 1 1 68 68 PRO C C 68 176.609 176.609 177.803 -1.194 17805 1259 1 3 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.468 -1.079 17805 1260 1 3 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.145 0.069 17805 1261 1 3 . 1 1 69 69 ASN N N 69 115.414 115.414 115.348 0.066 17805 1262 1 3 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.392 -0.430 17805 1263 1 3 . 1 1 69 69 ASN C C 69 178.824 178.824 175.221 3.603 17805 1264 1 3 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.044 -0.023 17805 1265 1 3 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.494 -0.447 17805 1266 1 3 . 1 1 69 69 ASN H H 69 8.966 8.966 8.435 0.531 17805 1267 1 3 . 1 1 70 70 THR N N 70 115.426 115.426 115.322 0.104 17805 1268 1 3 . 1 1 70 70 THR HA H 70 3.949 3.949 4.400 -0.451 17805 1269 1 3 . 1 1 70 70 THR C C 70 180.592 180.592 174.522 6.070 17805 1270 1 3 . 1 1 70 70 THR CA C 70 65.247 65.247 62.922 2.325 17805 1271 1 3 . 1 1 70 70 THR CB C 70 70.132 70.132 70.353 -0.221 17805 1272 1 3 . 1 1 70 70 THR H H 70 7.712 7.712 7.623 0.089 17805 1273 1 3 . 1 1 71 71 LYS N N 71 124.603 124.603 123.881 0.722 17805 1274 1 3 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.979 0.200 17805 1275 1 3 . 1 1 71 71 LYS C C 71 177.157 177.157 175.991 1.166 17805 1276 1 3 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.793 0.547 17805 1277 1 3 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.244 -0.515 17805 1278 1 3 . 1 1 71 71 LYS H H 71 8.284 8.284 8.301 -0.017 17805 1279 1 3 . 1 1 72 72 ILE N N 72 123.505 123.505 119.800 3.705 17805 1280 1 3 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.564 -0.053 17805 1281 1 3 . 1 1 72 72 ILE C C 72 178.360 178.360 174.625 3.735 17805 1282 1 3 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.568 0.068 17805 1283 1 3 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.982 -0.155 17805 1284 1 3 . 1 1 72 72 ILE H H 72 9.142 9.142 8.933 0.209 17805 1285 1 3 . 1 1 73 73 MET N N 73 123.090 123.090 121.012 2.078 17805 1286 1 3 . 1 1 73 73 MET HA H 73 5.122 5.122 4.927 0.195 17805 1287 1 3 . 1 1 73 73 MET C C 73 179.095 179.095 175.281 3.814 17805 1288 1 3 . 1 1 73 73 MET CA C 73 54.949 54.949 54.735 0.214 17805 1289 1 3 . 1 1 73 73 MET CB C 73 35.143 35.143 35.689 -0.546 17805 1290 1 3 . 1 1 73 73 MET H H 73 8.556 8.556 8.599 -0.043 17805 1291 1 3 . 1 1 74 74 MET N N 74 124.481 124.481 121.818 2.663 17805 1292 1 3 . 1 1 74 74 MET HA H 74 5.288 5.288 4.696 0.592 17805 1293 1 3 . 1 1 74 74 MET C C 74 178.476 178.476 175.289 3.187 17805 1294 1 3 . 1 1 74 74 MET CA C 74 54.862 54.862 55.271 -0.409 17805 1295 1 3 . 1 1 74 74 MET CB C 74 36.294 36.294 34.441 1.853 17805 1296 1 3 . 1 1 74 74 MET H H 74 8.924 8.924 8.874 0.050 17805 1297 1 3 . 1 1 75 75 MET N N 75 123.963 123.963 124.697 -0.734 17805 1298 1 3 . 1 1 75 75 MET HA H 75 5.093 5.093 4.848 0.245 17805 1299 1 3 . 1 1 75 75 MET C C 75 177.842 177.842 174.841 3.001 17805 1300 1 3 . 1 1 75 75 MET CA C 75 54.265 54.265 54.403 -0.138 17805 1301 1 3 . 1 1 75 75 MET CB C 75 35.566 35.566 33.314 2.252 17805 1302 1 3 . 1 1 75 75 MET H H 75 9.112 9.112 8.143 0.969 17805 1303 1 3 . 1 1 76 76 GLY N N 76 109.773 109.773 111.239 -1.466 17805 1304 1 3 . 1 1 76 76 GLY C C 76 180.165 180.165 172.594 7.571 17805 1305 1 3 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.110 0.791 17805 1306 1 3 . 1 1 76 76 GLY H H 76 8.711 8.711 8.444 0.267 17805 1307 1 3 . 1 1 77 77 THR N N 77 113.345 113.345 114.857 -1.512 17805 1308 1 3 . 1 1 77 77 THR HA H 77 4.787 4.787 4.660 0.127 17805 1309 1 3 . 1 1 77 77 THR C C 77 178.955 178.955 174.018 4.937 17805 1310 1 3 . 1 1 77 77 THR CA C 77 60.728 60.728 60.063 0.665 17805 1311 1 3 . 1 1 77 77 THR CB C 77 71.481 71.481 71.078 0.403 17805 1312 1 3 . 1 1 77 77 THR H H 77 8.280 8.280 8.126 0.154 17805 1313 1 3 . 1 1 78 78 ARG N N 78 122.844 122.844 123.206 -0.362 17805 1314 1 3 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.273 -0.125 17805 1315 1 3 . 1 1 78 78 ARG C C 78 177.011 177.011 175.974 1.037 17805 1316 1 3 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.748 1.133 17805 1317 1 3 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.692 0.915 17805 1318 1 3 . 1 1 78 78 ARG H H 78 8.852 8.852 8.448 0.404 17805 1319 1 3 . 1 1 79 79 GLU N N 79 122.181 122.181 122.685 -0.504 17805 1320 1 3 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.134 0.072 17805 1321 1 3 . 1 1 79 79 GLU C C 79 176.784 176.784 175.908 0.876 17805 1322 1 3 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.727 0.280 17805 1323 1 3 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.967 0.797 17805 1324 1 3 . 1 1 79 79 GLU H H 79 8.300 8.300 8.596 -0.296 17805 1325 1 3 . 1 1 80 80 GLU N N 80 126.965 126.965 120.666 6.299 17805 1326 1 3 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.654 -0.605 17805 1327 1 3 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.134 2.194 17805 1328 1 3 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.467 1.820 17805 1329 1 3 . 1 1 80 80 GLU H H 80 8.015 8.015 8.741 -0.726 17805 1330 1 4 . 1 1 2 2 ALA N N 2 126.014 126.014 124.371 1.643 17805 1331 1 4 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.632 -0.599 17805 1332 1 4 . 1 1 2 2 ALA C C 2 176.202 176.202 175.631 0.571 17805 1333 1 4 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.197 2.018 17805 1334 1 4 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.019 -0.643 17805 1335 1 4 . 1 1 2 2 ALA H H 2 8.410 8.410 8.347 0.063 17805 1336 1 4 . 1 1 3 3 LEU N N 3 123.255 123.255 122.894 0.361 17805 1337 1 4 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.746 -0.100 17805 1338 1 4 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.799 0.018 17805 1339 1 4 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.297 0.260 17805 1340 1 4 . 1 1 3 3 LEU H H 3 8.271 8.271 8.244 0.027 17805 1341 1 4 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.745 -0.139 17805 1342 1 4 . 1 1 4 4 PRO C C 4 179.796 179.796 175.640 4.156 17805 1343 1 4 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.210 1.030 17805 1344 1 4 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.826 -0.756 17805 1345 1 4 . 1 1 5 5 ILE N N 5 122.161 122.161 118.501 3.660 17805 1346 1 4 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.705 -0.346 17805 1347 1 4 . 1 1 5 5 ILE C C 5 179.202 179.202 175.456 3.746 17805 1348 1 4 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.852 0.981 17805 1349 1 4 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.286 1.657 17805 1350 1 4 . 1 1 5 5 ILE H H 5 8.317 8.317 7.823 0.494 17805 1351 1 4 . 1 1 6 6 ILE N N 6 125.649 125.649 127.814 -2.165 17805 1352 1 4 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.584 0.337 17805 1353 1 4 . 1 1 6 6 ILE C C 6 178.393 178.393 174.572 3.821 17805 1354 1 4 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.957 -1.092 17805 1355 1 4 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.954 0.310 17805 1356 1 4 . 1 1 6 6 ILE H H 6 8.408 8.408 8.212 0.196 17805 1357 1 4 . 1 1 7 7 VAL N N 7 125.741 125.741 126.980 -1.239 17805 1358 1 4 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.897 0.033 17805 1359 1 4 . 1 1 7 7 VAL C C 7 178.215 178.215 173.980 4.235 17805 1360 1 4 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.550 0.813 17805 1361 1 4 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.112 -1.353 17805 1362 1 4 . 1 1 7 7 VAL H H 7 9.155 9.155 9.057 0.098 17805 1363 1 4 . 1 1 8 8 LYS N N 8 128.098 128.098 128.747 -0.649 17805 1364 1 4 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.347 -0.115 17805 1365 1 4 . 1 1 8 8 LYS C C 8 178.353 178.353 174.449 3.904 17805 1366 1 4 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.805 0.470 17805 1367 1 4 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.282 -0.347 17805 1368 1 4 . 1 1 8 8 LYS H H 8 9.174 9.174 8.950 0.225 17805 1369 1 4 . 1 1 9 9 TRP N N 9 125.952 125.952 127.940 -1.988 17805 1370 1 4 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.022 0.163 17805 1371 1 4 . 1 1 9 9 TRP C C 9 176.432 176.432 175.824 0.608 17805 1372 1 4 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.562 1.172 17805 1373 1 4 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.930 -1.369 17805 1374 1 4 . 1 1 9 9 TRP H H 9 8.844 8.844 8.494 0.350 17805 1375 1 4 . 1 1 10 10 GLY N N 10 117.044 117.044 116.668 0.376 17805 1376 1 4 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.318 1.783 17805 1377 1 4 . 1 1 10 10 GLY H H 10 8.683 8.683 8.771 -0.088 17805 1378 1 4 . 1 1 11 11 GLY N N 11 109.364 109.364 105.883 3.481 17805 1379 1 4 . 1 1 11 11 GLY C C 11 179.353 179.353 174.473 4.880 17805 1380 1 4 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.752 0.708 17805 1381 1 4 . 1 1 11 11 GLY H H 11 8.600 8.600 8.235 0.365 17805 1382 1 4 . 1 1 12 12 GLN N N 12 119.388 119.388 120.299 -0.911 17805 1383 1 4 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.313 0.170 17805 1384 1 4 . 1 1 12 12 GLN C C 12 179.098 179.098 175.089 4.009 17805 1385 1 4 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.667 -0.165 17805 1386 1 4 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.944 2.234 17805 1387 1 4 . 1 1 12 12 GLN H H 12 7.865 7.865 7.948 -0.083 17805 1388 1 4 . 1 1 13 13 GLU N N 13 119.756 119.756 119.732 0.024 17805 1389 1 4 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.180 -0.300 17805 1390 1 4 . 1 1 13 13 GLU C C 13 177.641 177.641 175.248 2.393 17805 1391 1 4 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.153 0.502 17805 1392 1 4 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.726 -0.420 17805 1393 1 4 . 1 1 13 13 GLU H H 13 8.172 8.172 8.036 0.136 17805 1394 1 4 . 1 1 14 14 TYR N N 14 122.812 122.812 124.087 -1.275 17805 1395 1 4 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.824 -0.223 17805 1396 1 4 . 1 1 14 14 TYR C C 14 177.990 177.990 174.805 3.185 17805 1397 1 4 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.832 0.414 17805 1398 1 4 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.269 -0.725 17805 1399 1 4 . 1 1 14 14 TYR H H 14 9.381 9.381 8.857 0.524 17805 1400 1 4 . 1 1 15 15 SER N N 15 118.339 118.339 118.725 -0.386 17805 1401 1 4 . 1 1 15 15 SER HA H 15 4.747 4.747 5.380 -0.633 17805 1402 1 4 . 1 1 15 15 SER C C 15 178.924 178.924 173.508 5.416 17805 1403 1 4 . 1 1 15 15 SER CA C 15 58.099 58.099 57.180 0.919 17805 1404 1 4 . 1 1 15 15 SER CB C 15 63.394 63.394 65.037 -1.643 17805 1405 1 4 . 1 1 15 15 SER H H 15 8.802 8.802 8.625 0.177 17805 1406 1 4 . 1 1 16 16 VAL N N 16 128.611 128.611 121.226 7.385 17805 1407 1 4 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.389 -0.184 17805 1408 1 4 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.315 2.029 17805 1409 1 4 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.481 -1.953 17805 1410 1 4 . 1 1 16 16 VAL H H 16 9.005 9.005 8.650 0.355 17805 1411 1 4 . 1 1 17 17 THR N N 17 116.170 116.170 114.131 2.039 17805 1412 1 4 . 1 1 17 17 THR HA H 17 4.533 4.533 4.513 0.020 17805 1413 1 4 . 1 1 17 17 THR C C 17 177.649 177.649 173.868 3.781 17805 1414 1 4 . 1 1 17 17 THR CA C 17 62.331 62.331 62.329 0.002 17805 1415 1 4 . 1 1 17 17 THR CB C 17 70.040 70.040 68.761 1.279 17805 1416 1 4 . 1 1 17 17 THR H H 17 8.746 8.746 8.299 0.447 17805 1417 1 4 . 1 1 18 18 THR N N 18 107.517 107.517 113.794 -6.277 17805 1418 1 4 . 1 1 18 18 THR HA H 18 4.173 4.173 4.262 -0.089 17805 1419 1 4 . 1 1 18 18 THR C C 18 178.498 178.498 173.600 4.898 17805 1420 1 4 . 1 1 18 18 THR CA C 18 61.772 61.772 62.340 -0.568 17805 1421 1 4 . 1 1 18 18 THR CB C 18 69.121 69.121 69.010 0.112 17805 1422 1 4 . 1 1 18 18 THR H H 18 6.812 6.812 8.047 -1.235 17805 1423 1 4 . 1 1 19 19 LEU N N 19 123.019 123.019 117.297 5.722 17805 1424 1 4 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.773 -0.190 17805 1425 1 4 . 1 1 19 19 LEU C C 19 177.299 177.299 174.601 2.698 17805 1426 1 4 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.503 1.677 17805 1427 1 4 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.850 -2.139 17805 1428 1 4 . 1 1 19 19 LEU H H 19 8.388 8.388 7.319 1.069 17805 1429 1 4 . 1 1 20 20 SER N N 20 117.870 117.870 113.049 4.821 17805 1430 1 4 . 1 1 20 20 SER HA H 20 4.863 4.863 5.083 -0.220 17805 1431 1 4 . 1 1 20 20 SER C C 20 177.249 177.249 175.569 1.680 17805 1432 1 4 . 1 1 20 20 SER CA C 20 56.832 56.832 56.607 0.225 17805 1433 1 4 . 1 1 20 20 SER CB C 20 67.845 67.845 66.497 1.348 17805 1434 1 4 . 1 1 20 20 SER H H 20 9.714 9.714 8.166 1.548 17805 1435 1 4 . 1 1 21 21 GLU N N 21 116.130 116.130 121.830 -5.700 17805 1436 1 4 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.916 -0.176 17805 1437 1 4 . 1 1 21 21 GLU C C 21 176.555 176.555 176.542 0.013 17805 1438 1 4 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.459 -0.325 17805 1439 1 4 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.227 1.627 17805 1440 1 4 . 1 1 21 21 GLU H H 21 8.491 8.491 8.934 -0.443 17805 1441 1 4 . 1 1 22 22 ASP N N 22 115.741 115.741 116.083 -0.342 17805 1442 1 4 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.512 0.138 17805 1443 1 4 . 1 1 22 22 ASP C C 22 176.555 176.555 176.311 0.244 17805 1444 1 4 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.923 0.233 17805 1445 1 4 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.591 1.988 17805 1446 1 4 . 1 1 22 22 ASP H H 22 7.936 7.936 7.664 0.272 17805 1447 1 4 . 1 1 23 23 ASP N N 23 119.945 119.945 120.548 -0.603 17805 1448 1 4 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.622 0.219 17805 1449 1 4 . 1 1 23 23 ASP C C 23 178.264 178.264 176.218 2.046 17805 1450 1 4 . 1 1 23 23 ASP CA C 23 55.223 55.223 55.812 -0.589 17805 1451 1 4 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.582 0.200 17805 1452 1 4 . 1 1 23 23 ASP H H 23 7.313 7.313 8.085 -0.772 17805 1453 1 4 . 1 1 24 24 THR N N 24 107.918 107.918 106.728 1.190 17805 1454 1 4 . 1 1 24 24 THR HA H 24 5.328 5.328 4.403 0.925 17805 1455 1 4 . 1 1 24 24 THR C C 24 176.363 176.363 174.073 2.290 17805 1456 1 4 . 1 1 24 24 THR CA C 24 60.989 60.989 61.620 -0.631 17805 1457 1 4 . 1 1 24 24 THR CB C 24 74.287 74.287 70.704 3.583 17805 1458 1 4 . 1 1 24 24 THR H H 24 9.630 9.630 7.511 2.119 17805 1459 1 4 . 1 1 25 25 VAL N N 25 120.192 120.192 123.148 -2.956 17805 1460 1 4 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.616 -0.282 17805 1461 1 4 . 1 1 25 25 VAL C C 25 175.092 175.092 176.999 -1.907 17805 1462 1 4 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.459 0.167 17805 1463 1 4 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.022 0.127 17805 1464 1 4 . 1 1 25 25 VAL H H 25 8.260 8.260 8.933 -0.673 17805 1465 1 4 . 1 1 26 26 LEU N N 26 119.941 119.941 118.487 1.454 17805 1466 1 4 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.065 -0.193 17805 1467 1 4 . 1 1 26 26 LEU C C 26 174.996 174.996 178.340 -3.344 17805 1468 1 4 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.805 0.787 17805 1469 1 4 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.360 0.356 17805 1470 1 4 . 1 1 26 26 LEU H H 26 8.523 8.523 8.073 0.450 17805 1471 1 4 . 1 1 27 27 ASP N N 27 118.322 118.322 120.024 -1.702 17805 1472 1 4 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.435 -0.162 17805 1473 1 4 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.075 1.587 17805 1474 1 4 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.019 -0.088 17805 1475 1 4 . 1 1 27 27 ASP H H 27 7.581 7.581 8.123 -0.542 17805 1476 1 4 . 1 1 28 28 LEU N N 28 122.021 122.021 121.677 0.344 17805 1477 1 4 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.161 -0.078 17805 1478 1 4 . 1 1 28 28 LEU C C 28 175.514 175.514 178.648 -3.134 17805 1479 1 4 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.934 0.837 17805 1480 1 4 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.283 -1.058 17805 1481 1 4 . 1 1 28 28 LEU H H 28 7.837 7.837 7.943 -0.106 17805 1482 1 4 . 1 1 29 29 LYS N N 29 119.086 119.086 119.329 -0.243 17805 1483 1 4 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.897 0.623 17805 1484 1 4 . 1 1 29 29 LYS C C 29 172.261 172.261 178.745 -6.484 17805 1485 1 4 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.893 -0.106 17805 1486 1 4 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.871 2.426 17805 1487 1 4 . 1 1 29 29 LYS H H 29 8.467 8.467 8.709 -0.241 17805 1488 1 4 . 1 1 30 30 GLN N N 30 119.268 119.268 118.313 0.955 17805 1489 1 4 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.026 -0.094 17805 1490 1 4 . 1 1 30 30 GLN C C 30 174.240 174.240 178.398 -4.158 17805 1491 1 4 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.530 1.133 17805 1492 1 4 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.033 -0.227 17805 1493 1 4 . 1 1 30 30 GLN H H 30 9.049 9.049 7.837 1.212 17805 1494 1 4 . 1 1 31 31 PHE N N 31 121.690 121.690 120.758 0.932 17805 1495 1 4 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.206 0.012 17805 1496 1 4 . 1 1 31 31 PHE C C 31 173.970 173.970 177.578 -3.608 17805 1497 1 4 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.196 0.771 17805 1498 1 4 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.395 -0.021 17805 1499 1 4 . 1 1 31 31 PHE H H 31 8.039 8.039 7.755 0.284 17805 1500 1 4 . 1 1 32 32 LEU N N 32 118.232 118.232 117.255 0.977 17805 1501 1 4 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.020 -0.383 17805 1502 1 4 . 1 1 32 32 LEU C C 32 172.367 172.367 178.278 -5.911 17805 1503 1 4 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.947 -0.238 17805 1504 1 4 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.872 0.398 17805 1505 1 4 . 1 1 32 32 LEU H H 32 8.776 8.776 8.236 0.540 17805 1506 1 4 . 1 1 33 33 LYS N N 33 125.920 125.920 119.606 6.314 17805 1507 1 4 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.104 -0.302 17805 1508 1 4 . 1 1 33 33 LYS C C 33 173.820 173.820 178.714 -4.894 17805 1509 1 4 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.532 1.584 17805 1510 1 4 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.233 0.468 17805 1511 1 4 . 1 1 33 33 LYS H H 33 8.237 8.237 8.502 -0.265 17805 1512 1 4 . 1 1 34 34 THR N N 34 114.544 114.544 113.776 0.768 17805 1513 1 4 . 1 1 34 34 THR HA H 34 3.773 3.773 4.085 -0.312 17805 1514 1 4 . 1 1 34 34 THR C C 34 177.649 177.649 175.386 2.263 17805 1515 1 4 . 1 1 34 34 THR CA C 34 65.749 65.749 64.430 1.319 17805 1516 1 4 . 1 1 34 34 THR CB C 34 68.620 68.620 68.488 0.132 17805 1517 1 4 . 1 1 34 34 THR H H 34 7.281 7.281 7.472 -0.191 17805 1518 1 4 . 1 1 35 35 LEU N N 35 117.590 117.590 118.282 -0.692 17805 1519 1 4 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.257 -0.239 17805 1520 1 4 . 1 1 35 35 LEU C C 35 175.105 175.105 177.244 -2.139 17805 1521 1 4 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.760 1.255 17805 1522 1 4 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.416 1.587 17805 1523 1 4 . 1 1 35 35 LEU H H 35 6.752 6.752 7.337 -0.585 17805 1524 1 4 . 1 1 36 36 THR N N 36 104.865 104.865 107.304 -2.439 17805 1525 1 4 . 1 1 36 36 THR HA H 36 3.967 3.967 4.430 -0.463 17805 1526 1 4 . 1 1 36 36 THR C C 36 178.094 178.094 176.232 1.862 17805 1527 1 4 . 1 1 36 36 THR CA C 36 62.756 62.756 61.876 0.880 17805 1528 1 4 . 1 1 36 36 THR CB C 36 72.343 72.343 71.015 1.328 17805 1529 1 4 . 1 1 36 36 THR H H 36 7.675 7.675 7.805 -0.130 17805 1530 1 4 . 1 1 37 37 GLY N N 37 109.795 109.795 110.891 -1.096 17805 1531 1 4 . 1 1 37 37 GLY C C 37 179.368 179.368 173.845 5.523 17805 1532 1 4 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.726 -0.167 17805 1533 1 4 . 1 1 37 37 GLY H H 37 7.971 7.971 8.442 -0.471 17805 1534 1 4 . 1 1 38 38 VAL N N 38 122.557 122.557 122.076 0.481 17805 1535 1 4 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.358 -0.720 17805 1536 1 4 . 1 1 38 38 VAL C C 38 177.289 177.289 174.039 3.250 17805 1537 1 4 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.340 2.097 17805 1538 1 4 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.068 -1.678 17805 1539 1 4 . 1 1 38 38 VAL H H 38 7.533 7.533 7.338 0.195 17805 1540 1 4 . 1 1 39 39 LEU N N 39 127.828 127.828 123.210 4.618 17805 1541 1 4 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.895 -0.901 17805 1542 1 4 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.968 3.469 17805 1543 1 4 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.128 0.429 17805 1544 1 4 . 1 1 39 39 LEU H H 39 8.634 8.634 8.354 0.280 17805 1545 1 4 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.567 -0.728 17805 1546 1 4 . 1 1 40 40 PRO C C 40 174.857 174.857 177.360 -2.503 17805 1547 1 4 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.674 2.315 17805 1548 1 4 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.927 0.395 17805 1549 1 4 . 1 1 41 41 GLU N N 41 114.752 114.752 117.168 -2.416 17805 1550 1 4 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.131 -0.060 17805 1551 1 4 . 1 1 41 41 GLU C C 41 176.350 176.350 177.742 -1.392 17805 1552 1 4 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.801 1.137 17805 1553 1 4 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.176 -0.352 17805 1554 1 4 . 1 1 41 41 GLU H H 41 9.746 9.746 8.607 1.139 17805 1555 1 4 . 1 1 42 42 ARG N N 42 118.145 118.145 116.801 1.344 17805 1556 1 4 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.435 -0.120 17805 1557 1 4 . 1 1 42 42 ARG C C 42 177.731 177.731 176.398 1.333 17805 1558 1 4 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.694 -1.246 17805 1559 1 4 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.951 -0.846 17805 1560 1 4 . 1 1 42 42 ARG H H 42 7.938 7.938 7.522 0.416 17805 1561 1 4 . 1 1 43 43 GLN N N 43 118.250 118.250 116.017 2.233 17805 1562 1 4 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.406 -0.155 17805 1563 1 4 . 1 1 43 43 GLN C C 43 176.186 176.186 173.846 2.340 17805 1564 1 4 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.640 1.897 17805 1565 1 4 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.755 -0.763 17805 1566 1 4 . 1 1 43 43 GLN H H 43 7.034 7.034 7.582 -0.548 17805 1567 1 4 . 1 1 44 44 LYS N N 44 122.693 122.693 118.698 3.995 17805 1568 1 4 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.711 -0.247 17805 1569 1 4 . 1 1 44 44 LYS C C 44 178.040 178.040 174.477 3.563 17805 1570 1 4 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.344 1.208 17805 1571 1 4 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.776 -0.451 17805 1572 1 4 . 1 1 44 44 LYS H H 44 8.806 8.806 8.062 0.744 17805 1573 1 4 . 1 1 45 45 LEU N N 45 124.806 124.806 122.702 2.104 17805 1574 1 4 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.717 0.226 17805 1575 1 4 . 1 1 45 45 LEU C C 45 176.506 176.506 178.006 -1.500 17805 1576 1 4 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.671 -0.129 17805 1577 1 4 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.175 -0.353 17805 1578 1 4 . 1 1 45 45 LEU H H 45 8.704 8.704 8.726 -0.022 17805 1579 1 4 . 1 1 46 46 LEU N N 46 124.709 124.709 125.528 -0.819 17805 1580 1 4 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.070 0.288 17805 1581 1 4 . 1 1 46 46 LEU C C 46 175.289 175.289 176.565 -1.276 17805 1582 1 4 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.449 -0.690 17805 1583 1 4 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.733 0.793 17805 1584 1 4 . 1 1 46 46 LEU H H 46 8.751 8.751 8.657 0.094 17805 1585 1 4 . 1 1 47 47 GLY N N 47 109.276 109.276 113.924 -4.648 17805 1586 1 4 . 1 1 47 47 GLY C C 47 179.057 179.057 172.513 6.544 17805 1587 1 4 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.308 0.252 17805 1588 1 4 . 1 1 47 47 GLY H H 47 8.300 8.300 8.088 0.212 17805 1589 1 4 . 1 1 48 48 LEU N N 48 119.707 119.707 120.369 -0.662 17805 1590 1 4 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.800 -0.210 17805 1591 1 4 . 1 1 48 48 LEU C C 48 177.598 177.598 175.086 2.512 17805 1592 1 4 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.417 0.528 17805 1593 1 4 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.320 -4.906 17805 1594 1 4 . 1 1 48 48 LEU H H 48 7.581 7.581 8.164 -0.583 17805 1595 1 4 . 1 1 49 49 LYS N N 49 124.527 124.527 120.223 4.304 17805 1596 1 4 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.831 0.021 17805 1597 1 4 . 1 1 49 49 LYS C C 49 178.059 178.059 175.429 2.630 17805 1598 1 4 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.738 0.925 17805 1599 1 4 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.387 4.194 17805 1600 1 4 . 1 1 49 49 LYS H H 49 8.606 8.606 8.135 0.471 17805 1601 1 4 . 1 1 50 50 VAL N N 50 119.184 119.184 124.246 -5.062 17805 1602 1 4 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.321 -0.208 17805 1603 1 4 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.627 1.238 17805 1604 1 4 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.207 0.527 17805 1605 1 4 . 1 1 50 50 VAL H H 50 8.799 8.799 8.480 0.319 17805 1606 1 4 . 1 1 51 51 LYS N N 51 127.069 127.069 128.189 -1.120 17805 1607 1 4 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.979 -0.155 17805 1608 1 4 . 1 1 51 51 LYS C C 51 176.418 176.418 176.366 0.052 17805 1609 1 4 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.989 0.418 17805 1610 1 4 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.674 0.981 17805 1611 1 4 . 1 1 51 51 LYS H H 51 9.451 9.451 9.287 0.164 17805 1612 1 4 . 1 1 52 52 GLY N N 52 102.671 102.671 102.693 -0.022 17805 1613 1 4 . 1 1 52 52 GLY C C 52 179.392 179.392 174.457 4.935 17805 1614 1 4 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.078 0.732 17805 1615 1 4 . 1 1 52 52 GLY H H 52 8.512 8.512 8.438 0.074 17805 1616 1 4 . 1 1 53 53 LYS N N 53 121.307 121.307 121.479 -0.172 17805 1617 1 4 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.707 0.122 17805 1618 1 4 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.095 0.521 17805 1619 1 4 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.399 0.541 17805 1620 1 4 . 1 1 53 53 LYS H H 53 7.781 7.781 7.883 -0.102 17805 1621 1 4 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.383 -0.007 17805 1622 1 4 . 1 1 54 54 PRO C C 54 175.954 175.954 176.062 -0.108 17805 1623 1 4 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.748 1.069 17805 1624 1 4 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.873 2.277 17805 1625 1 4 . 1 1 55 55 ALA N N 55 125.654 125.654 122.750 2.904 17805 1626 1 4 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.915 0.223 17805 1627 1 4 . 1 1 55 55 ALA C C 55 175.977 175.977 176.829 -0.852 17805 1628 1 4 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.542 0.122 17805 1629 1 4 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.087 1.957 17805 1630 1 4 . 1 1 55 55 ALA H H 55 8.114 8.114 8.186 -0.072 17805 1631 1 4 . 1 1 56 56 GLU N N 56 122.313 122.313 120.802 1.511 17805 1632 1 4 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.045 0.170 17805 1633 1 4 . 1 1 56 56 GLU C C 56 176.924 176.924 177.764 -0.840 17805 1634 1 4 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.497 -0.408 17805 1635 1 4 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.526 0.560 17805 1636 1 4 . 1 1 56 56 GLU H H 56 8.179 8.179 8.349 -0.170 17805 1637 1 4 . 1 1 57 57 ASN N N 57 115.140 115.140 120.565 -5.425 17805 1638 1 4 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.428 -0.199 17805 1639 1 4 . 1 1 57 57 ASN C C 57 177.457 177.457 176.877 0.580 17805 1640 1 4 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.056 -0.857 17805 1641 1 4 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.200 1.027 17805 1642 1 4 . 1 1 57 57 ASN H H 57 8.504 8.504 8.901 -0.397 17805 1643 1 4 . 1 1 58 58 ASP N N 58 112.832 112.832 116.659 -3.827 17805 1644 1 4 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.528 -0.040 17805 1645 1 4 . 1 1 58 58 ASP C C 58 177.255 177.255 175.779 1.476 17805 1646 1 4 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.504 -0.895 17805 1647 1 4 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.836 -0.532 17805 1648 1 4 . 1 1 58 58 ASP H H 58 8.198 8.198 8.442 -0.244 17805 1649 1 4 . 1 1 59 59 VAL N N 59 122.073 122.073 120.465 1.608 17805 1650 1 4 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.907 -0.314 17805 1651 1 4 . 1 1 59 59 VAL C C 59 177.321 177.321 175.667 1.654 17805 1652 1 4 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.169 0.671 17805 1653 1 4 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.538 -0.216 17805 1654 1 4 . 1 1 59 59 VAL H H 59 7.353 7.353 7.626 -0.273 17805 1655 1 4 . 1 1 60 60 LYS N N 60 125.064 125.064 126.089 -1.025 17805 1656 1 4 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.119 0.328 17805 1657 1 4 . 1 1 60 60 LYS C C 60 174.649 174.649 177.087 -2.438 17805 1658 1 4 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.831 -0.646 17805 1659 1 4 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.631 0.474 17805 1660 1 4 . 1 1 60 60 LYS H H 60 8.339 8.339 8.422 -0.083 17805 1661 1 4 . 1 1 61 61 LEU N N 61 121.612 121.612 121.137 0.475 17805 1662 1 4 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.235 -0.459 17805 1663 1 4 . 1 1 61 61 LEU C C 61 171.906 171.906 179.121 -7.215 17805 1664 1 4 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.985 1.002 17805 1665 1 4 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.970 -0.138 17805 1666 1 4 . 1 1 61 61 LEU H H 61 9.423 9.423 8.507 0.916 17805 1667 1 4 . 1 1 62 62 GLY N N 62 104.008 104.008 105.097 -1.089 17805 1668 1 4 . 1 1 62 62 GLY C C 62 177.869 177.869 175.058 2.811 17805 1669 1 4 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.821 -0.049 17805 1670 1 4 . 1 1 62 62 GLY H H 62 9.107 9.107 7.613 1.494 17805 1671 1 4 . 1 1 63 63 ALA N N 63 122.025 122.025 123.418 -1.393 17805 1672 1 4 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.113 0.160 17805 1673 1 4 . 1 1 63 63 ALA C C 63 174.499 174.499 178.172 -3.673 17805 1674 1 4 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.256 -0.835 17805 1675 1 4 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.848 -0.032 17805 1676 1 4 . 1 1 63 63 ALA H H 63 7.755 7.755 8.072 -0.317 17805 1677 1 4 . 1 1 64 64 LEU N N 64 115.454 115.454 113.875 1.579 17805 1678 1 4 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.533 -0.465 17805 1679 1 4 . 1 1 64 64 LEU C C 64 177.197 177.197 177.748 -0.551 17805 1680 1 4 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.315 0.253 17805 1681 1 4 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.363 -0.227 17805 1682 1 4 . 1 1 64 64 LEU H H 64 7.214 7.214 7.510 -0.296 17805 1683 1 4 . 1 1 65 65 LYS N N 65 114.830 114.830 118.721 -3.891 17805 1684 1 4 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.057 -0.219 17805 1685 1 4 . 1 1 65 65 LYS C C 65 177.061 177.061 176.944 0.117 17805 1686 1 4 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.593 -1.856 17805 1687 1 4 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.021 -3.714 17805 1688 1 4 . 1 1 65 65 LYS H H 65 7.642 7.642 7.992 -0.350 17805 1689 1 4 . 1 1 66 66 LEU N N 66 119.305 119.305 111.312 7.993 17805 1690 1 4 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.547 -0.384 17805 1691 1 4 . 1 1 66 66 LEU C C 66 175.393 175.393 175.737 -0.344 17805 1692 1 4 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.542 0.305 17805 1693 1 4 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.545 0.167 17805 1694 1 4 . 1 1 66 66 LEU H H 66 8.516 8.516 7.504 1.012 17805 1695 1 4 . 1 1 67 67 LYS N N 67 121.480 121.480 120.547 0.933 17805 1696 1 4 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.591 -0.094 17805 1697 1 4 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.969 -1.817 17805 1698 1 4 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.588 0.411 17805 1699 1 4 . 1 1 67 67 LYS H H 67 7.955 7.955 8.390 -0.435 17805 1700 1 4 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.293 -0.124 17805 1701 1 4 . 1 1 68 68 PRO C C 68 176.609 176.609 177.642 -1.033 17805 1702 1 4 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.437 -1.048 17805 1703 1 4 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.074 0.140 17805 1704 1 4 . 1 1 69 69 ASN N N 69 115.414 115.414 115.704 -0.290 17805 1705 1 4 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.439 -0.477 17805 1706 1 4 . 1 1 69 69 ASN C C 69 178.824 178.824 175.340 3.484 17805 1707 1 4 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.919 0.102 17805 1708 1 4 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.467 -0.420 17805 1709 1 4 . 1 1 69 69 ASN H H 69 8.966 8.966 8.555 0.411 17805 1710 1 4 . 1 1 70 70 THR N N 70 115.426 115.426 115.481 -0.055 17805 1711 1 4 . 1 1 70 70 THR HA H 70 3.949 3.949 4.340 -0.391 17805 1712 1 4 . 1 1 70 70 THR C C 70 180.592 180.592 174.178 6.414 17805 1713 1 4 . 1 1 70 70 THR CA C 70 65.247 65.247 62.800 2.447 17805 1714 1 4 . 1 1 70 70 THR CB C 70 70.132 70.132 69.821 0.311 17805 1715 1 4 . 1 1 70 70 THR H H 70 7.712 7.712 7.543 0.169 17805 1716 1 4 . 1 1 71 71 LYS N N 71 124.603 124.603 123.410 1.193 17805 1717 1 4 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.847 0.332 17805 1718 1 4 . 1 1 71 71 LYS C C 71 177.157 177.157 175.613 1.544 17805 1719 1 4 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.981 0.359 17805 1720 1 4 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.097 -0.368 17805 1721 1 4 . 1 1 71 71 LYS H H 71 8.284 8.284 8.221 0.063 17805 1722 1 4 . 1 1 72 72 ILE N N 72 123.505 123.505 119.529 3.976 17805 1723 1 4 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.524 -0.013 17805 1724 1 4 . 1 1 72 72 ILE C C 72 178.360 178.360 174.848 3.512 17805 1725 1 4 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.460 0.176 17805 1726 1 4 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.918 -0.091 17805 1727 1 4 . 1 1 72 72 ILE H H 72 9.142 9.142 8.865 0.277 17805 1728 1 4 . 1 1 73 73 MET N N 73 123.090 123.090 121.275 1.815 17805 1729 1 4 . 1 1 73 73 MET HA H 73 5.122 5.122 4.960 0.162 17805 1730 1 4 . 1 1 73 73 MET C C 73 179.095 179.095 175.415 3.680 17805 1731 1 4 . 1 1 73 73 MET CA C 73 54.949 54.949 55.067 -0.118 17805 1732 1 4 . 1 1 73 73 MET CB C 73 35.143 35.143 35.475 -0.332 17805 1733 1 4 . 1 1 73 73 MET H H 73 8.556 8.556 8.839 -0.283 17805 1734 1 4 . 1 1 74 74 MET N N 74 124.481 124.481 122.320 2.161 17805 1735 1 4 . 1 1 74 74 MET HA H 74 5.288 5.288 4.675 0.613 17805 1736 1 4 . 1 1 74 74 MET C C 74 178.476 178.476 175.186 3.290 17805 1737 1 4 . 1 1 74 74 MET CA C 74 54.862 54.862 55.192 -0.330 17805 1738 1 4 . 1 1 74 74 MET CB C 74 36.294 36.294 34.011 2.283 17805 1739 1 4 . 1 1 74 74 MET H H 74 8.924 8.924 8.973 -0.049 17805 1740 1 4 . 1 1 75 75 MET N N 75 123.963 123.963 124.900 -0.937 17805 1741 1 4 . 1 1 75 75 MET HA H 75 5.093 5.093 4.803 0.290 17805 1742 1 4 . 1 1 75 75 MET C C 75 177.842 177.842 174.824 3.018 17805 1743 1 4 . 1 1 75 75 MET CA C 75 54.265 54.265 54.441 -0.175 17805 1744 1 4 . 1 1 75 75 MET CB C 75 35.566 35.566 33.097 2.469 17805 1745 1 4 . 1 1 75 75 MET H H 75 9.112 9.112 8.051 1.061 17805 1746 1 4 . 1 1 76 76 GLY N N 76 109.773 109.773 111.855 -2.082 17805 1747 1 4 . 1 1 76 76 GLY C C 76 180.165 180.165 172.483 7.682 17805 1748 1 4 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.107 0.794 17805 1749 1 4 . 1 1 76 76 GLY H H 76 8.711 8.711 8.385 0.326 17805 1750 1 4 . 1 1 77 77 THR N N 77 113.345 113.345 114.632 -1.287 17805 1751 1 4 . 1 1 77 77 THR HA H 77 4.787 4.787 4.806 -0.019 17805 1752 1 4 . 1 1 77 77 THR C C 77 178.955 178.955 173.384 5.571 17805 1753 1 4 . 1 1 77 77 THR CA C 77 60.728 60.728 60.576 0.152 17805 1754 1 4 . 1 1 77 77 THR CB C 77 71.481 71.481 71.355 0.126 17805 1755 1 4 . 1 1 77 77 THR H H 77 8.280 8.280 8.131 0.149 17805 1756 1 4 . 1 1 78 78 ARG N N 78 122.844 122.844 124.081 -1.237 17805 1757 1 4 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.609 -0.461 17805 1758 1 4 . 1 1 78 78 ARG C C 78 177.011 177.011 175.161 1.850 17805 1759 1 4 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.611 2.270 17805 1760 1 4 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.467 0.140 17805 1761 1 4 . 1 1 78 78 ARG H H 78 8.852 8.852 8.520 0.332 17805 1762 1 4 . 1 1 79 79 GLU N N 79 122.181 122.181 123.070 -0.889 17805 1763 1 4 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.607 -0.401 17805 1764 1 4 . 1 1 79 79 GLU C C 79 176.784 176.784 175.434 1.350 17805 1765 1 4 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.097 1.910 17805 1766 1 4 . 1 1 79 79 GLU CB C 79 30.764 30.764 31.938 -1.174 17805 1767 1 4 . 1 1 79 79 GLU H H 79 8.300 8.300 8.402 -0.102 17805 1768 1 4 . 1 1 80 80 GLU N N 80 126.965 126.965 121.966 4.999 17805 1769 1 4 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.220 -0.171 17805 1770 1 4 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.939 1.389 17805 1771 1 4 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.015 1.272 17805 1772 1 4 . 1 1 80 80 GLU H H 80 8.015 8.015 8.594 -0.579 17805 1773 1 5 . 1 1 2 2 ALA N N 2 126.014 126.014 125.030 0.984 17805 1774 1 5 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.637 -0.604 17805 1775 1 5 . 1 1 2 2 ALA C C 2 176.202 176.202 176.184 0.018 17805 1776 1 5 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.371 1.844 17805 1777 1 5 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.750 -0.374 17805 1778 1 5 . 1 1 2 2 ALA H H 2 8.410 8.410 8.475 -0.065 17805 1779 1 5 . 1 1 3 3 LEU N N 3 123.255 123.255 125.320 -2.065 17805 1780 1 5 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.667 -0.021 17805 1781 1 5 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.424 -0.607 17805 1782 1 5 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.930 0.627 17805 1783 1 5 . 1 1 3 3 LEU H H 3 8.271 8.271 8.469 -0.198 17805 1784 1 5 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.761 -0.155 17805 1785 1 5 . 1 1 4 4 PRO C C 4 179.796 179.796 175.628 4.168 17805 1786 1 5 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.340 0.900 17805 1787 1 5 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.912 -0.842 17805 1788 1 5 . 1 1 5 5 ILE N N 5 122.161 122.161 117.716 4.445 17805 1789 1 5 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.783 -0.424 17805 1790 1 5 . 1 1 5 5 ILE C C 5 179.202 179.202 175.617 3.585 17805 1791 1 5 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.136 0.697 17805 1792 1 5 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.479 1.464 17805 1793 1 5 . 1 1 5 5 ILE H H 5 8.317 8.317 7.708 0.609 17805 1794 1 5 . 1 1 6 6 ILE N N 6 125.649 125.649 127.911 -2.262 17805 1795 1 5 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.483 0.438 17805 1796 1 5 . 1 1 6 6 ILE C C 6 178.393 178.393 174.965 3.428 17805 1797 1 5 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.076 -1.211 17805 1798 1 5 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.574 0.690 17805 1799 1 5 . 1 1 6 6 ILE H H 6 8.408 8.408 8.135 0.273 17805 1800 1 5 . 1 1 7 7 VAL N N 7 125.741 125.741 126.861 -1.120 17805 1801 1 5 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.786 0.144 17805 1802 1 5 . 1 1 7 7 VAL C C 7 178.215 178.215 174.704 3.511 17805 1803 1 5 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.934 -0.571 17805 1804 1 5 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.115 -0.356 17805 1805 1 5 . 1 1 7 7 VAL H H 7 9.155 9.155 8.908 0.247 17805 1806 1 5 . 1 1 8 8 LYS N N 8 128.098 128.098 125.960 2.138 17805 1807 1 5 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.441 -0.209 17805 1808 1 5 . 1 1 8 8 LYS C C 8 178.353 178.353 174.287 4.066 17805 1809 1 5 . 1 1 8 8 LYS CA C 8 55.275 55.275 55.205 0.070 17805 1810 1 5 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.507 -0.572 17805 1811 1 5 . 1 1 8 8 LYS H H 8 9.174 9.174 8.947 0.227 17805 1812 1 5 . 1 1 9 9 TRP N N 9 125.952 125.952 128.415 -2.463 17805 1813 1 5 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.096 0.089 17805 1814 1 5 . 1 1 9 9 TRP C C 9 176.432 176.432 175.884 0.548 17805 1815 1 5 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.160 1.574 17805 1816 1 5 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.935 -1.374 17805 1817 1 5 . 1 1 9 9 TRP H H 9 8.844 8.844 9.215 -0.371 17805 1818 1 5 . 1 1 10 10 GLY N N 10 117.044 117.044 115.524 1.520 17805 1819 1 5 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.546 1.555 17805 1820 1 5 . 1 1 10 10 GLY H H 10 8.683 8.683 9.062 -0.379 17805 1821 1 5 . 1 1 11 11 GLY N N 11 109.364 109.364 105.588 3.776 17805 1822 1 5 . 1 1 11 11 GLY C C 11 179.353 179.353 174.940 4.413 17805 1823 1 5 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.020 0.440 17805 1824 1 5 . 1 1 11 11 GLY H H 11 8.600 8.600 8.357 0.243 17805 1825 1 5 . 1 1 12 12 GLN N N 12 119.388 119.388 120.711 -1.323 17805 1826 1 5 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.276 0.207 17805 1827 1 5 . 1 1 12 12 GLN C C 12 179.098 179.098 174.869 4.229 17805 1828 1 5 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.852 -0.350 17805 1829 1 5 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.826 2.352 17805 1830 1 5 . 1 1 12 12 GLN H H 12 7.865 7.865 7.910 -0.045 17805 1831 1 5 . 1 1 13 13 GLU N N 13 119.756 119.756 121.885 -2.129 17805 1832 1 5 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.274 -0.394 17805 1833 1 5 . 1 1 13 13 GLU C C 13 177.641 177.641 175.498 2.143 17805 1834 1 5 . 1 1 13 13 GLU CA C 13 55.655 55.655 54.764 0.890 17805 1835 1 5 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.087 0.219 17805 1836 1 5 . 1 1 13 13 GLU H H 13 8.172 8.172 8.282 -0.110 17805 1837 1 5 . 1 1 14 14 TYR N N 14 122.812 122.812 125.289 -2.477 17805 1838 1 5 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.818 -0.217 17805 1839 1 5 . 1 1 14 14 TYR C C 14 177.990 177.990 174.792 3.198 17805 1840 1 5 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.751 0.495 17805 1841 1 5 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.826 -0.282 17805 1842 1 5 . 1 1 14 14 TYR H H 14 9.381 9.381 9.052 0.329 17805 1843 1 5 . 1 1 15 15 SER N N 15 118.339 118.339 118.435 -0.096 17805 1844 1 5 . 1 1 15 15 SER HA H 15 4.747 4.747 5.321 -0.574 17805 1845 1 5 . 1 1 15 15 SER C C 15 178.924 178.924 173.785 5.139 17805 1846 1 5 . 1 1 15 15 SER CA C 15 58.099 58.099 57.041 1.058 17805 1847 1 5 . 1 1 15 15 SER CB C 15 63.394 63.394 65.066 -1.672 17805 1848 1 5 . 1 1 15 15 SER H H 15 8.802 8.802 8.607 0.195 17805 1849 1 5 . 1 1 16 16 VAL N N 16 128.611 128.611 121.418 7.193 17805 1850 1 5 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.455 -0.250 17805 1851 1 5 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.586 1.758 17805 1852 1 5 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.709 -1.181 17805 1853 1 5 . 1 1 16 16 VAL H H 16 9.005 9.005 8.521 0.484 17805 1854 1 5 . 1 1 17 17 THR N N 17 116.170 116.170 115.877 0.293 17805 1855 1 5 . 1 1 17 17 THR HA H 17 4.533 4.533 4.509 0.024 17805 1856 1 5 . 1 1 17 17 THR C C 17 177.649 177.649 173.782 3.867 17805 1857 1 5 . 1 1 17 17 THR CA C 17 62.331 62.331 62.280 0.051 17805 1858 1 5 . 1 1 17 17 THR CB C 17 70.040 70.040 68.786 1.254 17805 1859 1 5 . 1 1 17 17 THR H H 17 8.746 8.746 8.313 0.433 17805 1860 1 5 . 1 1 18 18 THR N N 18 107.517 107.517 114.337 -6.820 17805 1861 1 5 . 1 1 18 18 THR HA H 18 4.173 4.173 4.295 -0.122 17805 1862 1 5 . 1 1 18 18 THR C C 18 178.498 178.498 173.382 5.116 17805 1863 1 5 . 1 1 18 18 THR CA C 18 61.772 61.772 62.256 -0.484 17805 1864 1 5 . 1 1 18 18 THR CB C 18 69.121 69.121 68.922 0.199 17805 1865 1 5 . 1 1 18 18 THR H H 18 6.812 6.812 8.087 -1.275 17805 1866 1 5 . 1 1 19 19 LEU N N 19 123.019 123.019 116.705 6.314 17805 1867 1 5 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.772 -0.190 17805 1868 1 5 . 1 1 19 19 LEU C C 19 177.299 177.299 174.384 2.915 17805 1869 1 5 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.855 1.325 17805 1870 1 5 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.964 -2.253 17805 1871 1 5 . 1 1 19 19 LEU H H 19 8.388 8.388 7.190 1.198 17805 1872 1 5 . 1 1 20 20 SER N N 20 117.870 117.870 113.471 4.399 17805 1873 1 5 . 1 1 20 20 SER HA H 20 4.863 4.863 5.100 -0.237 17805 1874 1 5 . 1 1 20 20 SER C C 20 177.249 177.249 175.909 1.340 17805 1875 1 5 . 1 1 20 20 SER CA C 20 56.832 56.832 56.174 0.658 17805 1876 1 5 . 1 1 20 20 SER CB C 20 67.845 67.845 66.065 1.780 17805 1877 1 5 . 1 1 20 20 SER H H 20 9.714 9.714 8.466 1.248 17805 1878 1 5 . 1 1 21 21 GLU N N 21 116.130 116.130 120.645 -4.515 17805 1879 1 5 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.986 -0.246 17805 1880 1 5 . 1 1 21 21 GLU C C 21 176.555 176.555 177.182 -0.627 17805 1881 1 5 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.307 -0.173 17805 1882 1 5 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.356 1.498 17805 1883 1 5 . 1 1 21 21 GLU H H 21 8.491 8.491 8.924 -0.433 17805 1884 1 5 . 1 1 22 22 ASP N N 22 115.741 115.741 117.628 -1.887 17805 1885 1 5 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.550 0.100 17805 1886 1 5 . 1 1 22 22 ASP C C 22 176.555 176.555 176.512 0.043 17805 1887 1 5 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.203 0.953 17805 1888 1 5 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.630 1.948 17805 1889 1 5 . 1 1 22 22 ASP H H 22 7.936 7.936 8.346 -0.410 17805 1890 1 5 . 1 1 23 23 ASP N N 23 119.945 119.945 120.118 -0.173 17805 1891 1 5 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.561 0.280 17805 1892 1 5 . 1 1 23 23 ASP C C 23 178.264 178.264 175.687 2.577 17805 1893 1 5 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.719 -1.496 17805 1894 1 5 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.190 0.592 17805 1895 1 5 . 1 1 23 23 ASP H H 23 7.313 7.313 7.668 -0.355 17805 1896 1 5 . 1 1 24 24 THR N N 24 107.918 107.918 105.284 2.634 17805 1897 1 5 . 1 1 24 24 THR HA H 24 5.328 5.328 4.413 0.915 17805 1898 1 5 . 1 1 24 24 THR C C 24 176.363 176.363 173.830 2.533 17805 1899 1 5 . 1 1 24 24 THR CA C 24 60.989 60.989 61.621 -0.632 17805 1900 1 5 . 1 1 24 24 THR CB C 24 74.287 74.287 71.190 3.097 17805 1901 1 5 . 1 1 24 24 THR H H 24 9.630 9.630 7.461 2.169 17805 1902 1 5 . 1 1 25 25 VAL N N 25 120.192 120.192 123.392 -3.200 17805 1903 1 5 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.706 -0.372 17805 1904 1 5 . 1 1 25 25 VAL C C 25 175.092 175.092 177.083 -1.991 17805 1905 1 5 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.717 0.909 17805 1906 1 5 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.822 0.327 17805 1907 1 5 . 1 1 25 25 VAL H H 25 8.260 8.260 9.018 -0.758 17805 1908 1 5 . 1 1 26 26 LEU N N 26 119.941 119.941 119.801 0.140 17805 1909 1 5 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.019 -0.147 17805 1910 1 5 . 1 1 26 26 LEU C C 26 174.996 174.996 178.605 -3.609 17805 1911 1 5 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.443 0.149 17805 1912 1 5 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.415 0.301 17805 1913 1 5 . 1 1 26 26 LEU H H 26 8.523 8.523 8.312 0.211 17805 1914 1 5 . 1 1 27 27 ASP N N 27 118.322 118.322 119.939 -1.617 17805 1915 1 5 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.449 -0.176 17805 1916 1 5 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.880 1.783 17805 1917 1 5 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.997 -0.066 17805 1918 1 5 . 1 1 27 27 ASP H H 27 7.581 7.581 8.122 -0.541 17805 1919 1 5 . 1 1 28 28 LEU N N 28 122.021 122.021 121.432 0.589 17805 1920 1 5 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.191 -0.108 17805 1921 1 5 . 1 1 28 28 LEU C C 28 175.514 175.514 178.568 -3.054 17805 1922 1 5 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.796 0.976 17805 1923 1 5 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.297 -1.072 17805 1924 1 5 . 1 1 28 28 LEU H H 28 7.837 7.837 8.036 -0.199 17805 1925 1 5 . 1 1 29 29 LYS N N 29 119.086 119.086 119.286 -0.200 17805 1926 1 5 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.898 0.622 17805 1927 1 5 . 1 1 29 29 LYS C C 29 172.261 172.261 178.778 -6.517 17805 1928 1 5 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.832 -0.045 17805 1929 1 5 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.816 2.481 17805 1930 1 5 . 1 1 29 29 LYS H H 29 8.467 8.467 8.738 -0.271 17805 1931 1 5 . 1 1 30 30 GLN N N 30 119.268 119.268 118.310 0.958 17805 1932 1 5 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.031 -0.099 17805 1933 1 5 . 1 1 30 30 GLN C C 30 174.240 174.240 178.398 -4.158 17805 1934 1 5 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.515 1.148 17805 1935 1 5 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.046 -0.240 17805 1936 1 5 . 1 1 30 30 GLN H H 30 9.049 9.049 7.830 1.219 17805 1937 1 5 . 1 1 31 31 PHE N N 31 121.690 121.690 120.829 0.861 17805 1938 1 5 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.216 0.002 17805 1939 1 5 . 1 1 31 31 PHE C C 31 173.970 173.970 177.547 -3.577 17805 1940 1 5 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.123 0.844 17805 1941 1 5 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.433 -0.059 17805 1942 1 5 . 1 1 31 31 PHE H H 31 8.039 8.039 7.768 0.271 17805 1943 1 5 . 1 1 32 32 LEU N N 32 118.232 118.232 117.156 1.076 17805 1944 1 5 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.014 -0.377 17805 1945 1 5 . 1 1 32 32 LEU C C 32 172.367 172.367 178.251 -5.884 17805 1946 1 5 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.955 -0.247 17805 1947 1 5 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.993 0.277 17805 1948 1 5 . 1 1 32 32 LEU H H 32 8.776 8.776 8.354 0.422 17805 1949 1 5 . 1 1 33 33 LYS N N 33 125.920 125.920 120.144 5.776 17805 1950 1 5 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.089 -0.287 17805 1951 1 5 . 1 1 33 33 LYS C C 33 173.820 173.820 178.705 -4.885 17805 1952 1 5 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.708 1.408 17805 1953 1 5 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.235 0.466 17805 1954 1 5 . 1 1 33 33 LYS H H 33 8.237 8.237 8.512 -0.275 17805 1955 1 5 . 1 1 34 34 THR N N 34 114.544 114.544 113.365 1.179 17805 1956 1 5 . 1 1 34 34 THR HA H 34 3.773 3.773 4.069 -0.296 17805 1957 1 5 . 1 1 34 34 THR C C 34 177.649 177.649 175.585 2.064 17805 1958 1 5 . 1 1 34 34 THR CA C 34 65.749 65.749 64.679 1.070 17805 1959 1 5 . 1 1 34 34 THR CB C 34 68.620 68.620 68.649 -0.029 17805 1960 1 5 . 1 1 34 34 THR H H 34 7.281 7.281 7.443 -0.162 17805 1961 1 5 . 1 1 35 35 LEU N N 35 117.590 117.590 118.677 -1.087 17805 1962 1 5 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.184 -0.166 17805 1963 1 5 . 1 1 35 35 LEU C C 35 175.105 175.105 177.402 -2.297 17805 1964 1 5 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.912 1.103 17805 1965 1 5 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.441 1.562 17805 1966 1 5 . 1 1 35 35 LEU H H 35 6.752 6.752 7.434 -0.682 17805 1967 1 5 . 1 1 36 36 THR N N 36 104.865 104.865 107.512 -2.647 17805 1968 1 5 . 1 1 36 36 THR HA H 36 3.967 3.967 4.398 -0.431 17805 1969 1 5 . 1 1 36 36 THR C C 36 178.094 178.094 175.794 2.300 17805 1970 1 5 . 1 1 36 36 THR CA C 36 62.756 62.756 62.747 0.009 17805 1971 1 5 . 1 1 36 36 THR CB C 36 72.343 72.343 70.526 1.817 17805 1972 1 5 . 1 1 36 36 THR H H 36 7.675 7.675 8.013 -0.338 17805 1973 1 5 . 1 1 37 37 GLY N N 37 109.795 109.795 110.199 -0.404 17805 1974 1 5 . 1 1 37 37 GLY C C 37 179.368 179.368 174.051 5.317 17805 1975 1 5 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.709 -0.150 17805 1976 1 5 . 1 1 37 37 GLY H H 37 7.971 7.971 8.387 -0.416 17805 1977 1 5 . 1 1 38 38 VAL N N 38 122.557 122.557 123.278 -0.721 17805 1978 1 5 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.110 -0.472 17805 1979 1 5 . 1 1 38 38 VAL C C 38 177.289 177.289 174.856 2.433 17805 1980 1 5 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.174 1.263 17805 1981 1 5 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.580 -1.190 17805 1982 1 5 . 1 1 38 38 VAL H H 38 7.533 7.533 7.063 0.470 17805 1983 1 5 . 1 1 39 39 LEU N N 39 127.828 127.828 121.078 6.750 17805 1984 1 5 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.857 -0.863 17805 1985 1 5 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.860 3.577 17805 1986 1 5 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.428 0.129 17805 1987 1 5 . 1 1 39 39 LEU H H 39 8.634 8.634 8.317 0.317 17805 1988 1 5 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.445 -0.606 17805 1989 1 5 . 1 1 40 40 PRO C C 40 174.857 174.857 177.514 -2.657 17805 1990 1 5 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.949 2.040 17805 1991 1 5 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.773 0.549 17805 1992 1 5 . 1 1 41 41 GLU N N 41 114.752 114.752 116.360 -1.608 17805 1993 1 5 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.119 -0.048 17805 1994 1 5 . 1 1 41 41 GLU C C 41 176.350 176.350 177.184 -0.834 17805 1995 1 5 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.125 0.813 17805 1996 1 5 . 1 1 41 41 GLU CB C 41 28.824 28.824 28.844 -0.020 17805 1997 1 5 . 1 1 41 41 GLU H H 41 9.746 9.746 8.404 1.342 17805 1998 1 5 . 1 1 42 42 ARG N N 42 118.145 118.145 116.830 1.315 17805 1999 1 5 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.425 -0.110 17805 2000 1 5 . 1 1 42 42 ARG C C 42 177.731 177.731 176.752 0.979 17805 2001 1 5 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.198 -0.750 17805 2002 1 5 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.883 -0.778 17805 2003 1 5 . 1 1 42 42 ARG H H 42 7.938 7.938 7.467 0.471 17805 2004 1 5 . 1 1 43 43 GLN N N 43 118.250 118.250 115.853 2.397 17805 2005 1 5 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.633 -0.382 17805 2006 1 5 . 1 1 43 43 GLN C C 43 176.186 176.186 173.888 2.298 17805 2007 1 5 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.249 2.288 17805 2008 1 5 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.129 -1.137 17805 2009 1 5 . 1 1 43 43 GLN H H 43 7.034 7.034 7.632 -0.598 17805 2010 1 5 . 1 1 44 44 LYS N N 44 122.693 122.693 118.966 3.727 17805 2011 1 5 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.686 -0.222 17805 2012 1 5 . 1 1 44 44 LYS C C 44 178.040 178.040 174.441 3.599 17805 2013 1 5 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.913 0.639 17805 2014 1 5 . 1 1 44 44 LYS CB C 44 34.325 34.325 35.082 -0.757 17805 2015 1 5 . 1 1 44 44 LYS H H 44 8.806 8.806 8.124 0.682 17805 2016 1 5 . 1 1 45 45 LEU N N 45 124.806 124.806 122.582 2.224 17805 2017 1 5 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.871 0.072 17805 2018 1 5 . 1 1 45 45 LEU C C 45 176.506 176.506 177.933 -1.427 17805 2019 1 5 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.033 -0.491 17805 2020 1 5 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.965 -1.144 17805 2021 1 5 . 1 1 45 45 LEU H H 45 8.704 8.704 8.542 0.162 17805 2022 1 5 . 1 1 46 46 LEU N N 46 124.709 124.709 124.671 0.038 17805 2023 1 5 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.010 0.348 17805 2024 1 5 . 1 1 46 46 LEU C C 46 175.289 175.289 177.545 -2.256 17805 2025 1 5 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.576 -1.817 17805 2026 1 5 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.861 0.665 17805 2027 1 5 . 1 1 46 46 LEU H H 46 8.751 8.751 8.514 0.237 17805 2028 1 5 . 1 1 47 47 GLY N N 47 109.276 109.276 111.846 -2.570 17805 2029 1 5 . 1 1 47 47 GLY C C 47 179.057 179.057 172.740 6.317 17805 2030 1 5 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.446 0.114 17805 2031 1 5 . 1 1 47 47 GLY H H 47 8.300 8.300 8.326 -0.026 17805 2032 1 5 . 1 1 48 48 LEU N N 48 119.707 119.707 119.909 -0.202 17805 2033 1 5 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.566 0.024 17805 2034 1 5 . 1 1 48 48 LEU C C 48 177.598 177.598 174.669 2.929 17805 2035 1 5 . 1 1 48 48 LEU CA C 48 53.945 53.945 54.335 -0.390 17805 2036 1 5 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.819 -4.405 17805 2037 1 5 . 1 1 48 48 LEU H H 48 7.581 7.581 8.113 -0.532 17805 2038 1 5 . 1 1 49 49 LYS N N 49 124.527 124.527 121.371 3.156 17805 2039 1 5 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.780 0.072 17805 2040 1 5 . 1 1 49 49 LYS C C 49 178.059 178.059 175.282 2.777 17805 2041 1 5 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.845 0.818 17805 2042 1 5 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.455 4.126 17805 2043 1 5 . 1 1 49 49 LYS H H 49 8.606 8.606 8.195 0.411 17805 2044 1 5 . 1 1 50 50 VAL N N 50 119.184 119.184 123.336 -4.152 17805 2045 1 5 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.333 -0.220 17805 2046 1 5 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.344 1.521 17805 2047 1 5 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.485 0.249 17805 2048 1 5 . 1 1 50 50 VAL H H 50 8.799 8.799 8.478 0.321 17805 2049 1 5 . 1 1 51 51 LYS N N 51 127.069 127.069 127.779 -0.710 17805 2050 1 5 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.946 -0.122 17805 2051 1 5 . 1 1 51 51 LYS C C 51 176.418 176.418 176.229 0.189 17805 2052 1 5 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.167 0.240 17805 2053 1 5 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.222 0.433 17805 2054 1 5 . 1 1 51 51 LYS H H 51 9.451 9.451 9.267 0.184 17805 2055 1 5 . 1 1 52 52 GLY N N 52 102.671 102.671 102.647 0.024 17805 2056 1 5 . 1 1 52 52 GLY C C 52 179.392 179.392 174.514 4.878 17805 2057 1 5 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.038 0.772 17805 2058 1 5 . 1 1 52 52 GLY H H 52 8.512 8.512 8.454 0.058 17805 2059 1 5 . 1 1 53 53 LYS N N 53 121.307 121.307 121.433 -0.126 17805 2060 1 5 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.720 0.109 17805 2061 1 5 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.070 0.546 17805 2062 1 5 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.509 0.431 17805 2063 1 5 . 1 1 53 53 LYS H H 53 7.781 7.781 7.890 -0.109 17805 2064 1 5 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.383 -0.007 17805 2065 1 5 . 1 1 54 54 PRO C C 54 175.954 175.954 176.052 -0.098 17805 2066 1 5 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.719 1.098 17805 2067 1 5 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.863 2.288 17805 2068 1 5 . 1 1 55 55 ALA N N 55 125.654 125.654 122.853 2.801 17805 2069 1 5 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.908 0.230 17805 2070 1 5 . 1 1 55 55 ALA C C 55 175.977 175.977 176.967 -0.990 17805 2071 1 5 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.596 0.068 17805 2072 1 5 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.219 1.825 17805 2073 1 5 . 1 1 55 55 ALA H H 55 8.114 8.114 8.189 -0.075 17805 2074 1 5 . 1 1 56 56 GLU N N 56 122.313 122.313 121.267 1.046 17805 2075 1 5 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.061 0.154 17805 2076 1 5 . 1 1 56 56 GLU C C 56 176.924 176.924 177.637 -0.713 17805 2077 1 5 . 1 1 56 56 GLU CA C 56 56.089 56.089 57.101 -1.012 17805 2078 1 5 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.547 0.538 17805 2079 1 5 . 1 1 56 56 GLU H H 56 8.179 8.179 8.418 -0.239 17805 2080 1 5 . 1 1 57 57 ASN N N 57 115.140 115.140 118.934 -3.794 17805 2081 1 5 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.460 -0.231 17805 2082 1 5 . 1 1 57 57 ASN C C 57 177.457 177.457 176.183 1.274 17805 2083 1 5 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.203 -1.004 17805 2084 1 5 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.443 0.784 17805 2085 1 5 . 1 1 57 57 ASN H H 57 8.504 8.504 8.767 -0.263 17805 2086 1 5 . 1 1 58 58 ASP N N 58 112.832 112.832 117.166 -4.334 17805 2087 1 5 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.555 -0.067 17805 2088 1 5 . 1 1 58 58 ASP C C 58 177.255 177.255 175.866 1.389 17805 2089 1 5 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.723 -1.115 17805 2090 1 5 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.432 -0.128 17805 2091 1 5 . 1 1 58 58 ASP H H 58 8.198 8.198 8.619 -0.421 17805 2092 1 5 . 1 1 59 59 VAL N N 59 122.073 122.073 120.932 1.141 17805 2093 1 5 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.931 -0.338 17805 2094 1 5 . 1 1 59 59 VAL C C 59 177.321 177.321 175.977 1.344 17805 2095 1 5 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.140 0.700 17805 2096 1 5 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.042 0.279 17805 2097 1 5 . 1 1 59 59 VAL H H 59 7.353 7.353 7.154 0.199 17805 2098 1 5 . 1 1 60 60 LYS N N 60 125.064 125.064 126.434 -1.370 17805 2099 1 5 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.116 0.331 17805 2100 1 5 . 1 1 60 60 LYS C C 60 174.649 174.649 177.261 -2.612 17805 2101 1 5 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.970 -0.785 17805 2102 1 5 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.650 0.455 17805 2103 1 5 . 1 1 60 60 LYS H H 60 8.339 8.339 8.555 -0.216 17805 2104 1 5 . 1 1 61 61 LEU N N 61 121.612 121.612 121.059 0.553 17805 2105 1 5 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.254 -0.478 17805 2106 1 5 . 1 1 61 61 LEU C C 61 171.906 171.906 179.119 -7.213 17805 2107 1 5 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.975 1.012 17805 2108 1 5 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.986 -0.154 17805 2109 1 5 . 1 1 61 61 LEU H H 61 9.423 9.423 8.500 0.923 17805 2110 1 5 . 1 1 62 62 GLY N N 62 104.008 104.008 105.163 -1.155 17805 2111 1 5 . 1 1 62 62 GLY C C 62 177.869 177.869 175.075 2.794 17805 2112 1 5 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.817 -0.045 17805 2113 1 5 . 1 1 62 62 GLY H H 62 9.107 9.107 7.654 1.453 17805 2114 1 5 . 1 1 63 63 ALA N N 63 122.025 122.025 123.444 -1.419 17805 2115 1 5 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.112 0.161 17805 2116 1 5 . 1 1 63 63 ALA C C 63 174.499 174.499 178.193 -3.694 17805 2117 1 5 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.205 -0.784 17805 2118 1 5 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.926 -0.110 17805 2119 1 5 . 1 1 63 63 ALA H H 63 7.755 7.755 8.074 -0.319 17805 2120 1 5 . 1 1 64 64 LEU N N 64 115.454 115.454 113.743 1.711 17805 2121 1 5 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.533 -0.465 17805 2122 1 5 . 1 1 64 64 LEU C C 64 177.197 177.197 177.747 -0.550 17805 2123 1 5 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.383 0.184 17805 2124 1 5 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.280 -0.144 17805 2125 1 5 . 1 1 64 64 LEU H H 64 7.214 7.214 7.499 -0.285 17805 2126 1 5 . 1 1 65 65 LYS N N 65 114.830 114.830 118.821 -3.991 17805 2127 1 5 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.078 -0.240 17805 2128 1 5 . 1 1 65 65 LYS C C 65 177.061 177.061 177.024 0.037 17805 2129 1 5 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.656 -1.919 17805 2130 1 5 . 1 1 65 65 LYS CB C 65 29.307 29.307 32.962 -3.655 17805 2131 1 5 . 1 1 65 65 LYS H H 65 7.642 7.642 8.000 -0.358 17805 2132 1 5 . 1 1 66 66 LEU N N 66 119.305 119.305 111.261 8.044 17805 2133 1 5 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.558 -0.395 17805 2134 1 5 . 1 1 66 66 LEU C C 66 175.393 175.393 175.780 -0.387 17805 2135 1 5 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.444 0.403 17805 2136 1 5 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.779 -0.067 17805 2137 1 5 . 1 1 66 66 LEU H H 66 8.516 8.516 7.422 1.094 17805 2138 1 5 . 1 1 67 67 LYS N N 67 121.480 121.480 120.336 1.144 17805 2139 1 5 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.515 -0.018 17805 2140 1 5 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.227 -2.075 17805 2141 1 5 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.796 0.203 17805 2142 1 5 . 1 1 67 67 LYS H H 67 7.955 7.955 8.371 -0.416 17805 2143 1 5 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.374 -0.205 17805 2144 1 5 . 1 1 68 68 PRO C C 68 176.609 176.609 177.969 -1.360 17805 2145 1 5 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.615 -1.226 17805 2146 1 5 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.042 0.172 17805 2147 1 5 . 1 1 69 69 ASN N N 69 115.414 115.414 116.694 -1.280 17805 2148 1 5 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.523 -0.561 17805 2149 1 5 . 1 1 69 69 ASN C C 69 178.824 178.824 175.834 2.990 17805 2150 1 5 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.006 0.015 17805 2151 1 5 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.814 -0.767 17805 2152 1 5 . 1 1 69 69 ASN H H 69 8.966 8.966 8.597 0.369 17805 2153 1 5 . 1 1 70 70 THR N N 70 115.426 115.426 114.472 0.954 17805 2154 1 5 . 1 1 70 70 THR HA H 70 3.949 3.949 4.383 -0.434 17805 2155 1 5 . 1 1 70 70 THR C C 70 180.592 180.592 173.781 6.811 17805 2156 1 5 . 1 1 70 70 THR CA C 70 65.247 65.247 62.582 2.665 17805 2157 1 5 . 1 1 70 70 THR CB C 70 70.132 70.132 69.797 0.335 17805 2158 1 5 . 1 1 70 70 THR H H 70 7.712 7.712 7.568 0.144 17805 2159 1 5 . 1 1 71 71 LYS N N 71 124.603 124.603 124.066 0.537 17805 2160 1 5 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.980 0.199 17805 2161 1 5 . 1 1 71 71 LYS C C 71 177.157 177.157 175.918 1.239 17805 2162 1 5 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.746 0.594 17805 2163 1 5 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.255 -0.526 17805 2164 1 5 . 1 1 71 71 LYS H H 71 8.284 8.284 8.259 0.025 17805 2165 1 5 . 1 1 72 72 ILE N N 72 123.505 123.505 119.537 3.968 17805 2166 1 5 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.574 -0.063 17805 2167 1 5 . 1 1 72 72 ILE C C 72 178.360 178.360 174.682 3.678 17805 2168 1 5 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.546 0.090 17805 2169 1 5 . 1 1 72 72 ILE CB C 72 40.827 40.827 41.045 -0.218 17805 2170 1 5 . 1 1 72 72 ILE H H 72 9.142 9.142 8.948 0.194 17805 2171 1 5 . 1 1 73 73 MET N N 73 123.090 123.090 121.278 1.812 17805 2172 1 5 . 1 1 73 73 MET HA H 73 5.122 5.122 4.943 0.179 17805 2173 1 5 . 1 1 73 73 MET C C 73 179.095 179.095 175.310 3.785 17805 2174 1 5 . 1 1 73 73 MET CA C 73 54.949 54.949 54.847 0.102 17805 2175 1 5 . 1 1 73 73 MET CB C 73 35.143 35.143 35.450 -0.307 17805 2176 1 5 . 1 1 73 73 MET H H 73 8.556 8.556 8.652 -0.096 17805 2177 1 5 . 1 1 74 74 MET N N 74 124.481 124.481 122.088 2.393 17805 2178 1 5 . 1 1 74 74 MET HA H 74 5.288 5.288 4.701 0.587 17805 2179 1 5 . 1 1 74 74 MET C C 74 178.476 178.476 175.319 3.157 17805 2180 1 5 . 1 1 74 74 MET CA C 74 54.862 54.862 55.211 -0.349 17805 2181 1 5 . 1 1 74 74 MET CB C 74 36.294 36.294 34.679 1.615 17805 2182 1 5 . 1 1 74 74 MET H H 74 8.924 8.924 9.019 -0.095 17805 2183 1 5 . 1 1 75 75 MET N N 75 123.963 123.963 124.515 -0.552 17805 2184 1 5 . 1 1 75 75 MET HA H 75 5.093 5.093 4.849 0.244 17805 2185 1 5 . 1 1 75 75 MET C C 75 177.842 177.842 174.863 2.979 17805 2186 1 5 . 1 1 75 75 MET CA C 75 54.265 54.265 54.223 0.042 17805 2187 1 5 . 1 1 75 75 MET CB C 75 35.566 35.566 33.051 2.515 17805 2188 1 5 . 1 1 75 75 MET H H 75 9.112 9.112 8.124 0.988 17805 2189 1 5 . 1 1 76 76 GLY N N 76 109.773 109.773 111.142 -1.369 17805 2190 1 5 . 1 1 76 76 GLY C C 76 180.165 180.165 172.545 7.620 17805 2191 1 5 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.499 0.402 17805 2192 1 5 . 1 1 76 76 GLY H H 76 8.711 8.711 8.319 0.392 17805 2193 1 5 . 1 1 77 77 THR N N 77 113.345 113.345 113.689 -0.344 17805 2194 1 5 . 1 1 77 77 THR HA H 77 4.787 4.787 4.778 0.009 17805 2195 1 5 . 1 1 77 77 THR C C 77 178.955 178.955 174.055 4.900 17805 2196 1 5 . 1 1 77 77 THR CA C 77 60.728 60.728 60.449 0.279 17805 2197 1 5 . 1 1 77 77 THR CB C 77 71.481 71.481 70.737 0.744 17805 2198 1 5 . 1 1 77 77 THR H H 77 8.280 8.280 8.080 0.200 17805 2199 1 5 . 1 1 78 78 ARG N N 78 122.844 122.844 121.595 1.249 17805 2200 1 5 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.207 -0.059 17805 2201 1 5 . 1 1 78 78 ARG C C 78 177.011 177.011 175.974 1.037 17805 2202 1 5 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.836 0.045 17805 2203 1 5 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.597 1.010 17805 2204 1 5 . 1 1 78 78 ARG H H 78 8.852 8.852 8.730 0.122 17805 2205 1 5 . 1 1 79 79 GLU N N 79 122.181 122.181 120.668 1.513 17805 2206 1 5 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.540 -0.334 17805 2207 1 5 . 1 1 79 79 GLU C C 79 176.784 176.784 174.830 1.954 17805 2208 1 5 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.458 1.549 17805 2209 1 5 . 1 1 79 79 GLU CB C 79 30.764 30.764 32.394 -1.630 17805 2210 1 5 . 1 1 79 79 GLU H H 79 8.300 8.300 8.522 -0.222 17805 2211 1 5 . 1 1 80 80 GLU N N 80 126.965 126.965 119.729 7.236 17805 2212 1 5 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.693 -0.644 17805 2213 1 5 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.780 2.548 17805 2214 1 5 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.919 0.368 17805 2215 1 5 . 1 1 80 80 GLU H H 80 8.015 8.015 8.364 -0.349 17805 2216 1 6 . 1 1 2 2 ALA N N 2 126.014 126.014 123.910 2.104 17805 2217 1 6 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.496 -0.463 17805 2218 1 6 . 1 1 2 2 ALA C C 2 176.202 176.202 176.258 -0.056 17805 2219 1 6 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.274 1.941 17805 2220 1 6 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.878 -0.502 17805 2221 1 6 . 1 1 2 2 ALA H H 2 8.410 8.410 8.331 0.079 17805 2222 1 6 . 1 1 3 3 LEU N N 3 123.255 123.255 123.369 -0.114 17805 2223 1 6 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.784 -0.138 17805 2224 1 6 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.011 -0.194 17805 2225 1 6 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.291 0.266 17805 2226 1 6 . 1 1 3 3 LEU H H 3 8.271 8.271 8.107 0.164 17805 2227 1 6 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.748 -0.142 17805 2228 1 6 . 1 1 4 4 PRO C C 4 179.796 179.796 175.649 4.147 17805 2229 1 6 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.204 1.036 17805 2230 1 6 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.844 -0.774 17805 2231 1 6 . 1 1 5 5 ILE N N 5 122.161 122.161 118.526 3.635 17805 2232 1 6 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.706 -0.347 17805 2233 1 6 . 1 1 5 5 ILE C C 5 179.202 179.202 175.427 3.775 17805 2234 1 6 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.821 1.012 17805 2235 1 6 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.280 1.663 17805 2236 1 6 . 1 1 5 5 ILE H H 5 8.317 8.317 7.819 0.498 17805 2237 1 6 . 1 1 6 6 ILE N N 6 125.649 125.649 127.999 -2.350 17805 2238 1 6 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.467 0.454 17805 2239 1 6 . 1 1 6 6 ILE C C 6 178.393 178.393 174.997 3.396 17805 2240 1 6 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.990 -1.125 17805 2241 1 6 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.525 0.739 17805 2242 1 6 . 1 1 6 6 ILE H H 6 8.408 8.408 8.121 0.287 17805 2243 1 6 . 1 1 7 7 VAL N N 7 125.741 125.741 126.205 -0.464 17805 2244 1 6 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.798 0.132 17805 2245 1 6 . 1 1 7 7 VAL C C 7 178.215 178.215 174.851 3.364 17805 2246 1 6 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.686 -0.323 17805 2247 1 6 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.546 0.213 17805 2248 1 6 . 1 1 7 7 VAL H H 7 9.155 9.155 8.904 0.251 17805 2249 1 6 . 1 1 8 8 LYS N N 8 128.098 128.098 126.243 1.855 17805 2250 1 6 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.332 -0.100 17805 2251 1 6 . 1 1 8 8 LYS C C 8 178.353 178.353 174.369 3.984 17805 2252 1 6 . 1 1 8 8 LYS CA C 8 55.275 55.275 55.047 0.228 17805 2253 1 6 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.279 -0.344 17805 2254 1 6 . 1 1 8 8 LYS H H 8 9.174 9.174 8.922 0.252 17805 2255 1 6 . 1 1 9 9 TRP N N 9 125.952 125.952 128.144 -2.192 17805 2256 1 6 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.103 0.082 17805 2257 1 6 . 1 1 9 9 TRP C C 9 176.432 176.432 175.730 0.702 17805 2258 1 6 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.743 0.991 17805 2259 1 6 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.277 -1.716 17805 2260 1 6 . 1 1 9 9 TRP H H 9 8.844 8.844 8.523 0.321 17805 2261 1 6 . 1 1 10 10 GLY N N 10 117.044 117.044 115.132 1.912 17805 2262 1 6 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.208 1.893 17805 2263 1 6 . 1 1 10 10 GLY H H 10 8.683 8.683 8.395 0.288 17805 2264 1 6 . 1 1 11 11 GLY N N 11 109.364 109.364 106.686 2.678 17805 2265 1 6 . 1 1 11 11 GLY C C 11 179.353 179.353 174.550 4.803 17805 2266 1 6 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.782 0.678 17805 2267 1 6 . 1 1 11 11 GLY H H 11 8.600 8.600 8.161 0.439 17805 2268 1 6 . 1 1 12 12 GLN N N 12 119.388 119.388 119.839 -0.451 17805 2269 1 6 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.327 0.156 17805 2270 1 6 . 1 1 12 12 GLN C C 12 179.098 179.098 174.423 4.675 17805 2271 1 6 . 1 1 12 12 GLN CA C 12 54.502 54.502 55.221 -0.719 17805 2272 1 6 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.991 2.187 17805 2273 1 6 . 1 1 12 12 GLN H H 12 7.865 7.865 8.016 -0.151 17805 2274 1 6 . 1 1 13 13 GLU N N 13 119.756 119.756 119.443 0.313 17805 2275 1 6 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.256 -0.376 17805 2276 1 6 . 1 1 13 13 GLU C C 13 177.641 177.641 175.378 2.263 17805 2277 1 6 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.229 0.426 17805 2278 1 6 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.158 0.148 17805 2279 1 6 . 1 1 13 13 GLU H H 13 8.172 8.172 8.171 0.000 17805 2280 1 6 . 1 1 14 14 TYR N N 14 122.812 122.812 124.377 -1.565 17805 2281 1 6 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.843 -0.242 17805 2282 1 6 . 1 1 14 14 TYR C C 14 177.990 177.990 175.046 2.944 17805 2283 1 6 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.803 0.443 17805 2284 1 6 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.799 -0.255 17805 2285 1 6 . 1 1 14 14 TYR H H 14 9.381 9.381 8.982 0.399 17805 2286 1 6 . 1 1 15 15 SER N N 15 118.339 118.339 118.836 -0.497 17805 2287 1 6 . 1 1 15 15 SER HA H 15 4.747 4.747 5.336 -0.589 17805 2288 1 6 . 1 1 15 15 SER C C 15 178.924 178.924 173.708 5.216 17805 2289 1 6 . 1 1 15 15 SER CA C 15 58.099 58.099 57.320 0.779 17805 2290 1 6 . 1 1 15 15 SER CB C 15 63.394 63.394 64.835 -1.441 17805 2291 1 6 . 1 1 15 15 SER H H 15 8.802 8.802 8.615 0.187 17805 2292 1 6 . 1 1 16 16 VAL N N 16 128.611 128.611 120.904 7.707 17805 2293 1 6 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.400 -0.195 17805 2294 1 6 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.002 1.342 17805 2295 1 6 . 1 1 16 16 VAL CB C 16 32.528 32.528 35.307 -2.779 17805 2296 1 6 . 1 1 16 16 VAL H H 16 9.005 9.005 8.486 0.519 17805 2297 1 6 . 1 1 17 17 THR N N 17 116.170 116.170 114.116 2.054 17805 2298 1 6 . 1 1 17 17 THR HA H 17 4.533 4.533 4.493 0.040 17805 2299 1 6 . 1 1 17 17 THR C C 17 177.649 177.649 173.934 3.715 17805 2300 1 6 . 1 1 17 17 THR CA C 17 62.331 62.331 62.499 -0.168 17805 2301 1 6 . 1 1 17 17 THR CB C 17 70.040 70.040 68.524 1.516 17805 2302 1 6 . 1 1 17 17 THR H H 17 8.746 8.746 8.342 0.404 17805 2303 1 6 . 1 1 18 18 THR N N 18 107.517 107.517 113.900 -6.383 17805 2304 1 6 . 1 1 18 18 THR HA H 18 4.173 4.173 4.256 -0.083 17805 2305 1 6 . 1 1 18 18 THR C C 18 178.498 178.498 173.603 4.895 17805 2306 1 6 . 1 1 18 18 THR CA C 18 61.772 61.772 62.351 -0.579 17805 2307 1 6 . 1 1 18 18 THR CB C 18 69.121 69.121 68.989 0.132 17805 2308 1 6 . 1 1 18 18 THR H H 18 6.812 6.812 8.025 -1.213 17805 2309 1 6 . 1 1 19 19 LEU N N 19 123.019 123.019 117.133 5.886 17805 2310 1 6 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.783 -0.200 17805 2311 1 6 . 1 1 19 19 LEU C C 19 177.299 177.299 174.771 2.528 17805 2312 1 6 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.673 1.507 17805 2313 1 6 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.757 -2.046 17805 2314 1 6 . 1 1 19 19 LEU H H 19 8.388 8.388 7.286 1.102 17805 2315 1 6 . 1 1 20 20 SER N N 20 117.870 117.870 112.422 5.448 17805 2316 1 6 . 1 1 20 20 SER HA H 20 4.863 4.863 5.107 -0.244 17805 2317 1 6 . 1 1 20 20 SER C C 20 177.249 177.249 175.765 1.484 17805 2318 1 6 . 1 1 20 20 SER CA C 20 56.832 56.832 56.113 0.719 17805 2319 1 6 . 1 1 20 20 SER CB C 20 67.845 67.845 66.423 1.422 17805 2320 1 6 . 1 1 20 20 SER H H 20 9.714 9.714 8.161 1.553 17805 2321 1 6 . 1 1 21 21 GLU N N 21 116.130 116.130 122.762 -6.632 17805 2322 1 6 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.934 -0.194 17805 2323 1 6 . 1 1 21 21 GLU C C 21 176.555 176.555 176.566 -0.011 17805 2324 1 6 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.682 -0.548 17805 2325 1 6 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.141 1.713 17805 2326 1 6 . 1 1 21 21 GLU H H 21 8.491 8.491 8.949 -0.458 17805 2327 1 6 . 1 1 22 22 ASP N N 22 115.741 115.741 116.714 -0.973 17805 2328 1 6 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.533 0.117 17805 2329 1 6 . 1 1 22 22 ASP C C 22 176.555 176.555 176.394 0.161 17805 2330 1 6 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.360 -0.204 17805 2331 1 6 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.170 2.409 17805 2332 1 6 . 1 1 22 22 ASP H H 22 7.936 7.936 7.751 0.185 17805 2333 1 6 . 1 1 23 23 ASP N N 23 119.945 119.945 120.657 -0.712 17805 2334 1 6 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.604 0.237 17805 2335 1 6 . 1 1 23 23 ASP C C 23 178.264 178.264 176.052 2.212 17805 2336 1 6 . 1 1 23 23 ASP CA C 23 55.223 55.223 55.962 -0.739 17805 2337 1 6 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.398 0.384 17805 2338 1 6 . 1 1 23 23 ASP H H 23 7.313 7.313 8.151 -0.838 17805 2339 1 6 . 1 1 24 24 THR N N 24 107.918 107.918 107.780 0.138 17805 2340 1 6 . 1 1 24 24 THR HA H 24 5.328 5.328 4.352 0.976 17805 2341 1 6 . 1 1 24 24 THR C C 24 176.363 176.363 174.020 2.343 17805 2342 1 6 . 1 1 24 24 THR CA C 24 60.989 60.989 61.726 -0.737 17805 2343 1 6 . 1 1 24 24 THR CB C 24 74.287 74.287 70.805 3.482 17805 2344 1 6 . 1 1 24 24 THR H H 24 9.630 9.630 7.516 2.114 17805 2345 1 6 . 1 1 25 25 VAL N N 25 120.192 120.192 123.739 -3.547 17805 2346 1 6 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.716 -0.382 17805 2347 1 6 . 1 1 25 25 VAL C C 25 175.092 175.092 177.249 -2.157 17805 2348 1 6 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.918 0.708 17805 2349 1 6 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.836 0.313 17805 2350 1 6 . 1 1 25 25 VAL H H 25 8.260 8.260 8.945 -0.685 17805 2351 1 6 . 1 1 26 26 LEU N N 26 119.941 119.941 119.346 0.595 17805 2352 1 6 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.196 -0.324 17805 2353 1 6 . 1 1 26 26 LEU C C 26 174.996 174.996 178.707 -3.711 17805 2354 1 6 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.967 0.625 17805 2355 1 6 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.444 0.272 17805 2356 1 6 . 1 1 26 26 LEU H H 26 8.523 8.523 8.298 0.225 17805 2357 1 6 . 1 1 27 27 ASP N N 27 118.322 118.322 120.070 -1.748 17805 2358 1 6 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.437 -0.164 17805 2359 1 6 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.096 1.567 17805 2360 1 6 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.018 -0.087 17805 2361 1 6 . 1 1 27 27 ASP H H 27 7.581 7.581 8.141 -0.560 17805 2362 1 6 . 1 1 28 28 LEU N N 28 122.021 122.021 121.702 0.319 17805 2363 1 6 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.137 -0.054 17805 2364 1 6 . 1 1 28 28 LEU C C 28 175.514 175.514 178.563 -3.049 17805 2365 1 6 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.080 0.692 17805 2366 1 6 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.315 -1.090 17805 2367 1 6 . 1 1 28 28 LEU H H 28 7.837 7.837 7.972 -0.135 17805 2368 1 6 . 1 1 29 29 LYS N N 29 119.086 119.086 119.460 -0.374 17805 2369 1 6 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.891 0.629 17805 2370 1 6 . 1 1 29 29 LYS C C 29 172.261 172.261 178.768 -6.507 17805 2371 1 6 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.904 -0.117 17805 2372 1 6 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.874 2.423 17805 2373 1 6 . 1 1 29 29 LYS H H 29 8.467 8.467 8.726 -0.259 17805 2374 1 6 . 1 1 30 30 GLN N N 30 119.268 119.268 118.280 0.988 17805 2375 1 6 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.026 -0.094 17805 2376 1 6 . 1 1 30 30 GLN C C 30 174.240 174.240 178.382 -4.142 17805 2377 1 6 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.530 1.133 17805 2378 1 6 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.030 -0.225 17805 2379 1 6 . 1 1 30 30 GLN H H 30 9.049 9.049 7.838 1.211 17805 2380 1 6 . 1 1 31 31 PHE N N 31 121.690 121.690 120.705 0.985 17805 2381 1 6 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.209 0.009 17805 2382 1 6 . 1 1 31 31 PHE C C 31 173.970 173.970 177.602 -3.632 17805 2383 1 6 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.160 0.806 17805 2384 1 6 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.413 -0.040 17805 2385 1 6 . 1 1 31 31 PHE H H 31 8.039 8.039 7.704 0.335 17805 2386 1 6 . 1 1 32 32 LEU N N 32 118.232 118.232 117.117 1.115 17805 2387 1 6 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.043 -0.406 17805 2388 1 6 . 1 1 32 32 LEU C C 32 172.367 172.367 178.232 -5.865 17805 2389 1 6 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.974 -0.265 17805 2390 1 6 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.964 0.306 17805 2391 1 6 . 1 1 32 32 LEU H H 32 8.776 8.776 8.417 0.359 17805 2392 1 6 . 1 1 33 33 LYS N N 33 125.920 125.920 119.861 6.059 17805 2393 1 6 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.098 -0.296 17805 2394 1 6 . 1 1 33 33 LYS C C 33 173.820 173.820 178.775 -4.955 17805 2395 1 6 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.589 1.527 17805 2396 1 6 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.220 0.481 17805 2397 1 6 . 1 1 33 33 LYS H H 33 8.237 8.237 8.552 -0.315 17805 2398 1 6 . 1 1 34 34 THR N N 34 114.544 114.544 113.359 1.185 17805 2399 1 6 . 1 1 34 34 THR HA H 34 3.773 3.773 4.100 -0.327 17805 2400 1 6 . 1 1 34 34 THR C C 34 177.649 177.649 175.387 2.262 17805 2401 1 6 . 1 1 34 34 THR CA C 34 65.749 65.749 64.146 1.603 17805 2402 1 6 . 1 1 34 34 THR CB C 34 68.620 68.620 68.546 0.074 17805 2403 1 6 . 1 1 34 34 THR H H 34 7.281 7.281 7.444 -0.163 17805 2404 1 6 . 1 1 35 35 LEU N N 35 117.590 117.590 118.304 -0.714 17805 2405 1 6 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.274 -0.256 17805 2406 1 6 . 1 1 35 35 LEU C C 35 175.105 175.105 176.959 -1.854 17805 2407 1 6 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.739 1.276 17805 2408 1 6 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.501 1.502 17805 2409 1 6 . 1 1 35 35 LEU H H 35 6.752 6.752 7.335 -0.583 17805 2410 1 6 . 1 1 36 36 THR N N 36 104.865 104.865 106.672 -1.807 17805 2411 1 6 . 1 1 36 36 THR HA H 36 3.967 3.967 4.229 -0.262 17805 2412 1 6 . 1 1 36 36 THR C C 36 178.094 178.094 175.797 2.297 17805 2413 1 6 . 1 1 36 36 THR CA C 36 62.756 62.756 63.007 -0.251 17805 2414 1 6 . 1 1 36 36 THR CB C 36 72.343 72.343 70.359 1.984 17805 2415 1 6 . 1 1 36 36 THR H H 36 7.675 7.675 8.039 -0.364 17805 2416 1 6 . 1 1 37 37 GLY N N 37 109.795 109.795 110.188 -0.393 17805 2417 1 6 . 1 1 37 37 GLY C C 37 179.368 179.368 173.623 5.745 17805 2418 1 6 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.698 -0.139 17805 2419 1 6 . 1 1 37 37 GLY H H 37 7.971 7.971 8.389 -0.418 17805 2420 1 6 . 1 1 38 38 VAL N N 38 122.557 122.557 123.642 -1.085 17805 2421 1 6 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.187 -0.549 17805 2422 1 6 . 1 1 38 38 VAL C C 38 177.289 177.289 175.020 2.269 17805 2423 1 6 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.687 0.750 17805 2424 1 6 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.059 -0.670 17805 2425 1 6 . 1 1 38 38 VAL H H 38 7.533 7.533 7.139 0.394 17805 2426 1 6 . 1 1 39 39 LEU N N 39 127.828 127.828 122.315 5.513 17805 2427 1 6 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.887 -0.893 17805 2428 1 6 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.998 3.439 17805 2429 1 6 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.469 0.088 17805 2430 1 6 . 1 1 39 39 LEU H H 39 8.634 8.634 8.394 0.240 17805 2431 1 6 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.604 -0.765 17805 2432 1 6 . 1 1 40 40 PRO C C 40 174.857 174.857 177.380 -2.523 17805 2433 1 6 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.622 2.367 17805 2434 1 6 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.942 0.380 17805 2435 1 6 . 1 1 41 41 GLU N N 41 114.752 114.752 117.073 -2.321 17805 2436 1 6 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.136 -0.065 17805 2437 1 6 . 1 1 41 41 GLU C C 41 176.350 176.350 177.757 -1.407 17805 2438 1 6 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.668 1.270 17805 2439 1 6 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.221 -0.397 17805 2440 1 6 . 1 1 41 41 GLU H H 41 9.746 9.746 8.570 1.176 17805 2441 1 6 . 1 1 42 42 ARG N N 42 118.145 118.145 117.155 0.990 17805 2442 1 6 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.462 -0.147 17805 2443 1 6 . 1 1 42 42 ARG C C 42 177.731 177.731 176.144 1.587 17805 2444 1 6 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.620 -1.172 17805 2445 1 6 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.988 -0.883 17805 2446 1 6 . 1 1 42 42 ARG H H 42 7.938 7.938 7.517 0.421 17805 2447 1 6 . 1 1 43 43 GLN N N 43 118.250 118.250 115.863 2.387 17805 2448 1 6 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.780 -0.529 17805 2449 1 6 . 1 1 43 43 GLN C C 43 176.186 176.186 173.894 2.292 17805 2450 1 6 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.303 2.234 17805 2451 1 6 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.151 -1.159 17805 2452 1 6 . 1 1 43 43 GLN H H 43 7.034 7.034 7.585 -0.551 17805 2453 1 6 . 1 1 44 44 LYS N N 44 122.693 122.693 118.631 4.062 17805 2454 1 6 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.675 -0.211 17805 2455 1 6 . 1 1 44 44 LYS C C 44 178.040 178.040 174.364 3.676 17805 2456 1 6 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.769 0.783 17805 2457 1 6 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.816 -0.491 17805 2458 1 6 . 1 1 44 44 LYS H H 44 8.806 8.806 8.004 0.802 17805 2459 1 6 . 1 1 45 45 LEU N N 45 124.806 124.806 122.784 2.022 17805 2460 1 6 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.635 0.308 17805 2461 1 6 . 1 1 45 45 LEU C C 45 176.506 176.506 177.958 -1.452 17805 2462 1 6 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.097 -0.555 17805 2463 1 6 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.004 -0.183 17805 2464 1 6 . 1 1 45 45 LEU H H 45 8.704 8.704 8.621 0.083 17805 2465 1 6 . 1 1 46 46 LEU N N 46 124.709 124.709 125.687 -0.978 17805 2466 1 6 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.069 0.289 17805 2467 1 6 . 1 1 46 46 LEU C C 46 175.289 175.289 176.469 -1.180 17805 2468 1 6 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.419 -0.660 17805 2469 1 6 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.626 0.900 17805 2470 1 6 . 1 1 46 46 LEU H H 46 8.751 8.751 8.672 0.079 17805 2471 1 6 . 1 1 47 47 GLY N N 47 109.276 109.276 114.160 -4.884 17805 2472 1 6 . 1 1 47 47 GLY C C 47 179.057 179.057 172.572 6.485 17805 2473 1 6 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.428 0.132 17805 2474 1 6 . 1 1 47 47 GLY H H 47 8.300 8.300 8.162 0.138 17805 2475 1 6 . 1 1 48 48 LEU N N 48 119.707 119.707 119.699 0.008 17805 2476 1 6 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.672 -0.082 17805 2477 1 6 . 1 1 48 48 LEU C C 48 177.598 177.598 174.915 2.683 17805 2478 1 6 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.874 0.071 17805 2479 1 6 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.457 -5.043 17805 2480 1 6 . 1 1 48 48 LEU H H 48 7.581 7.581 8.120 -0.539 17805 2481 1 6 . 1 1 49 49 LYS N N 49 124.527 124.527 120.965 3.562 17805 2482 1 6 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.797 0.055 17805 2483 1 6 . 1 1 49 49 LYS C C 49 178.059 178.059 175.417 2.642 17805 2484 1 6 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.869 0.794 17805 2485 1 6 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.594 3.987 17805 2486 1 6 . 1 1 49 49 LYS H H 49 8.606 8.606 8.197 0.409 17805 2487 1 6 . 1 1 50 50 VAL N N 50 119.184 119.184 123.007 -3.823 17805 2488 1 6 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.462 -0.349 17805 2489 1 6 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.511 1.354 17805 2490 1 6 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.759 0.975 17805 2491 1 6 . 1 1 50 50 VAL H H 50 8.799 8.799 8.444 0.355 17805 2492 1 6 . 1 1 51 51 LYS N N 51 127.069 127.069 126.024 1.045 17805 2493 1 6 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.970 -0.146 17805 2494 1 6 . 1 1 51 51 LYS C C 51 176.418 176.418 176.277 0.141 17805 2495 1 6 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.019 0.388 17805 2496 1 6 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.171 0.484 17805 2497 1 6 . 1 1 51 51 LYS H H 51 9.451 9.451 9.275 0.176 17805 2498 1 6 . 1 1 52 52 GLY N N 52 102.671 102.671 102.290 0.381 17805 2499 1 6 . 1 1 52 52 GLY C C 52 179.392 179.392 174.918 4.474 17805 2500 1 6 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.956 0.854 17805 2501 1 6 . 1 1 52 52 GLY H H 52 8.512 8.512 8.622 -0.110 17805 2502 1 6 . 1 1 53 53 LYS N N 53 121.307 121.307 121.525 -0.218 17805 2503 1 6 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.709 0.120 17805 2504 1 6 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.080 0.536 17805 2505 1 6 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.401 0.539 17805 2506 1 6 . 1 1 53 53 LYS H H 53 7.781 7.781 7.915 -0.134 17805 2507 1 6 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.381 -0.005 17805 2508 1 6 . 1 1 54 54 PRO C C 54 175.954 175.954 176.041 -0.087 17805 2509 1 6 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.723 1.094 17805 2510 1 6 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.863 2.288 17805 2511 1 6 . 1 1 55 55 ALA N N 55 125.654 125.654 122.817 2.837 17805 2512 1 6 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.908 0.230 17805 2513 1 6 . 1 1 55 55 ALA C C 55 175.977 175.977 176.849 -0.872 17805 2514 1 6 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.578 0.087 17805 2515 1 6 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.168 1.877 17805 2516 1 6 . 1 1 55 55 ALA H H 55 8.114 8.114 8.168 -0.054 17805 2517 1 6 . 1 1 56 56 GLU N N 56 122.313 122.313 120.977 1.336 17805 2518 1 6 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.038 0.177 17805 2519 1 6 . 1 1 56 56 GLU C C 56 176.924 176.924 177.806 -0.882 17805 2520 1 6 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.503 -0.414 17805 2521 1 6 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.507 0.579 17805 2522 1 6 . 1 1 56 56 GLU H H 56 8.179 8.179 8.340 -0.161 17805 2523 1 6 . 1 1 57 57 ASN N N 57 115.140 115.140 120.830 -5.690 17805 2524 1 6 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.397 -0.168 17805 2525 1 6 . 1 1 57 57 ASN C C 57 177.457 177.457 176.674 0.783 17805 2526 1 6 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.206 -1.007 17805 2527 1 6 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.085 1.142 17805 2528 1 6 . 1 1 57 57 ASN H H 57 8.504 8.504 8.877 -0.373 17805 2529 1 6 . 1 1 58 58 ASP N N 58 112.832 112.832 117.439 -4.607 17805 2530 1 6 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.530 -0.042 17805 2531 1 6 . 1 1 58 58 ASP C C 58 177.255 177.255 176.116 1.139 17805 2532 1 6 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.579 -0.971 17805 2533 1 6 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.099 -0.795 17805 2534 1 6 . 1 1 58 58 ASP H H 58 8.198 8.198 8.425 -0.227 17805 2535 1 6 . 1 1 59 59 VAL N N 59 122.073 122.073 120.564 1.509 17805 2536 1 6 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.908 -0.315 17805 2537 1 6 . 1 1 59 59 VAL C C 59 177.321 177.321 175.560 1.761 17805 2538 1 6 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.089 0.751 17805 2539 1 6 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.418 -0.096 17805 2540 1 6 . 1 1 59 59 VAL H H 59 7.353 7.353 7.656 -0.303 17805 2541 1 6 . 1 1 60 60 LYS N N 60 125.064 125.064 126.078 -1.014 17805 2542 1 6 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.105 0.342 17805 2543 1 6 . 1 1 60 60 LYS C C 60 174.649 174.649 177.106 -2.457 17805 2544 1 6 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.914 -0.729 17805 2545 1 6 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.583 0.522 17805 2546 1 6 . 1 1 60 60 LYS H H 60 8.339 8.339 8.442 -0.103 17805 2547 1 6 . 1 1 61 61 LEU N N 61 121.612 121.612 121.152 0.460 17805 2548 1 6 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.236 -0.460 17805 2549 1 6 . 1 1 61 61 LEU C C 61 171.906 171.906 179.137 -7.231 17805 2550 1 6 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.022 0.966 17805 2551 1 6 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.968 -0.136 17805 2552 1 6 . 1 1 61 61 LEU H H 61 9.423 9.423 8.524 0.899 17805 2553 1 6 . 1 1 62 62 GLY N N 62 104.008 104.008 105.104 -1.096 17805 2554 1 6 . 1 1 62 62 GLY C C 62 177.869 177.869 175.056 2.813 17805 2555 1 6 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.821 -0.049 17805 2556 1 6 . 1 1 62 62 GLY H H 62 9.107 9.107 7.607 1.500 17805 2557 1 6 . 1 1 63 63 ALA N N 63 122.025 122.025 123.296 -1.271 17805 2558 1 6 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.211 0.062 17805 2559 1 6 . 1 1 63 63 ALA C C 63 174.499 174.499 178.307 -3.808 17805 2560 1 6 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.309 -0.888 17805 2561 1 6 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.793 0.023 17805 2562 1 6 . 1 1 63 63 ALA H H 63 7.755 7.755 8.029 -0.274 17805 2563 1 6 . 1 1 64 64 LEU N N 64 115.454 115.454 113.851 1.603 17805 2564 1 6 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.530 -0.462 17805 2565 1 6 . 1 1 64 64 LEU C C 64 177.197 177.197 177.783 -0.586 17805 2566 1 6 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.355 0.212 17805 2567 1 6 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.336 -0.200 17805 2568 1 6 . 1 1 64 64 LEU H H 64 7.214 7.214 7.499 -0.285 17805 2569 1 6 . 1 1 65 65 LYS N N 65 114.830 114.830 118.748 -3.918 17805 2570 1 6 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.066 -0.228 17805 2571 1 6 . 1 1 65 65 LYS C C 65 177.061 177.061 177.069 -0.008 17805 2572 1 6 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.587 -1.850 17805 2573 1 6 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.019 -3.712 17805 2574 1 6 . 1 1 65 65 LYS H H 65 7.642 7.642 7.982 -0.340 17805 2575 1 6 . 1 1 66 66 LEU N N 66 119.305 119.305 111.470 7.835 17805 2576 1 6 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.545 -0.382 17805 2577 1 6 . 1 1 66 66 LEU C C 66 175.393 175.393 175.721 -0.328 17805 2578 1 6 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.434 0.413 17805 2579 1 6 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.834 -0.122 17805 2580 1 6 . 1 1 66 66 LEU H H 66 8.516 8.516 7.496 1.020 17805 2581 1 6 . 1 1 67 67 LYS N N 67 121.480 121.480 120.330 1.150 17805 2582 1 6 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.495 0.002 17805 2583 1 6 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.161 -2.009 17805 2584 1 6 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.770 0.229 17805 2585 1 6 . 1 1 67 67 LYS H H 67 7.955 7.955 8.390 -0.435 17805 2586 1 6 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.346 -0.177 17805 2587 1 6 . 1 1 68 68 PRO C C 68 176.609 176.609 177.743 -1.134 17805 2588 1 6 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.619 -1.230 17805 2589 1 6 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.984 0.230 17805 2590 1 6 . 1 1 69 69 ASN N N 69 115.414 115.414 116.321 -0.907 17805 2591 1 6 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.485 -0.523 17805 2592 1 6 . 1 1 69 69 ASN C C 69 178.824 178.824 175.520 3.304 17805 2593 1 6 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.615 0.406 17805 2594 1 6 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.720 -0.673 17805 2595 1 6 . 1 1 69 69 ASN H H 69 8.966 8.966 8.534 0.432 17805 2596 1 6 . 1 1 70 70 THR N N 70 115.426 115.426 114.587 0.839 17805 2597 1 6 . 1 1 70 70 THR HA H 70 3.949 3.949 4.357 -0.408 17805 2598 1 6 . 1 1 70 70 THR C C 70 180.592 180.592 174.027 6.565 17805 2599 1 6 . 1 1 70 70 THR CA C 70 65.247 65.247 62.806 2.441 17805 2600 1 6 . 1 1 70 70 THR CB C 70 70.132 70.132 69.710 0.422 17805 2601 1 6 . 1 1 70 70 THR H H 70 7.712 7.712 7.585 0.127 17805 2602 1 6 . 1 1 71 71 LYS N N 71 124.603 124.603 123.434 1.169 17805 2603 1 6 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.843 0.336 17805 2604 1 6 . 1 1 71 71 LYS C C 71 177.157 177.157 175.624 1.533 17805 2605 1 6 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.999 0.341 17805 2606 1 6 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.078 -0.349 17805 2607 1 6 . 1 1 71 71 LYS H H 71 8.284 8.284 8.224 0.060 17805 2608 1 6 . 1 1 72 72 ILE N N 72 123.505 123.505 119.497 4.008 17805 2609 1 6 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.519 -0.008 17805 2610 1 6 . 1 1 72 72 ILE C C 72 178.360 178.360 174.806 3.554 17805 2611 1 6 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.461 0.175 17805 2612 1 6 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.887 -0.060 17805 2613 1 6 . 1 1 72 72 ILE H H 72 9.142 9.142 8.868 0.274 17805 2614 1 6 . 1 1 73 73 MET N N 73 123.090 123.090 121.212 1.878 17805 2615 1 6 . 1 1 73 73 MET HA H 73 5.122 5.122 4.991 0.131 17805 2616 1 6 . 1 1 73 73 MET C C 73 179.095 179.095 175.377 3.718 17805 2617 1 6 . 1 1 73 73 MET CA C 73 54.949 54.949 54.922 0.027 17805 2618 1 6 . 1 1 73 73 MET CB C 73 35.143 35.143 35.757 -0.613 17805 2619 1 6 . 1 1 73 73 MET H H 73 8.556 8.556 8.794 -0.238 17805 2620 1 6 . 1 1 74 74 MET N N 74 124.481 124.481 122.223 2.258 17805 2621 1 6 . 1 1 74 74 MET HA H 74 5.288 5.288 4.678 0.610 17805 2622 1 6 . 1 1 74 74 MET C C 74 178.476 178.476 175.210 3.266 17805 2623 1 6 . 1 1 74 74 MET CA C 74 54.862 54.862 55.239 -0.377 17805 2624 1 6 . 1 1 74 74 MET CB C 74 36.294 36.294 33.869 2.425 17805 2625 1 6 . 1 1 74 74 MET H H 74 8.924 8.924 8.925 -0.001 17805 2626 1 6 . 1 1 75 75 MET N N 75 123.963 123.963 124.844 -0.881 17805 2627 1 6 . 1 1 75 75 MET HA H 75 5.093 5.093 4.815 0.278 17805 2628 1 6 . 1 1 75 75 MET C C 75 177.842 177.842 174.866 2.976 17805 2629 1 6 . 1 1 75 75 MET CA C 75 54.265 54.265 54.465 -0.200 17805 2630 1 6 . 1 1 75 75 MET CB C 75 35.566 35.566 33.329 2.237 17805 2631 1 6 . 1 1 75 75 MET H H 75 9.112 9.112 8.083 1.029 17805 2632 1 6 . 1 1 76 76 GLY N N 76 109.773 109.773 110.278 -0.505 17805 2633 1 6 . 1 1 76 76 GLY C C 76 180.165 180.165 172.546 7.619 17805 2634 1 6 . 1 1 76 76 GLY CA C 76 45.901 45.901 44.984 0.917 17805 2635 1 6 . 1 1 76 76 GLY H H 76 8.711 8.711 8.522 0.189 17805 2636 1 6 . 1 1 77 77 THR N N 77 113.345 113.345 112.282 1.063 17805 2637 1 6 . 1 1 77 77 THR HA H 77 4.787 4.787 4.721 0.066 17805 2638 1 6 . 1 1 77 77 THR C C 77 178.955 178.955 173.712 5.243 17805 2639 1 6 . 1 1 77 77 THR CA C 77 60.728 60.728 59.801 0.927 17805 2640 1 6 . 1 1 77 77 THR CB C 77 71.481 71.481 71.134 0.347 17805 2641 1 6 . 1 1 77 77 THR H H 77 8.280 8.280 8.095 0.185 17805 2642 1 6 . 1 1 78 78 ARG N N 78 122.844 122.844 122.971 -0.127 17805 2643 1 6 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.305 -0.157 17805 2644 1 6 . 1 1 78 78 ARG C C 78 177.011 177.011 175.174 1.837 17805 2645 1 6 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.332 0.549 17805 2646 1 6 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.674 0.933 17805 2647 1 6 . 1 1 78 78 ARG H H 78 8.852 8.852 8.482 0.370 17805 2648 1 6 . 1 1 79 79 GLU N N 79 122.181 122.181 118.921 3.260 17805 2649 1 6 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.418 -0.212 17805 2650 1 6 . 1 1 79 79 GLU C C 79 176.784 176.784 174.096 2.688 17805 2651 1 6 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.969 1.038 17805 2652 1 6 . 1 1 79 79 GLU CB C 79 30.764 30.764 32.392 -1.627 17805 2653 1 6 . 1 1 79 79 GLU H H 79 8.300 8.300 8.560 -0.260 17805 2654 1 6 . 1 1 80 80 GLU N N 80 126.965 126.965 122.079 4.886 17805 2655 1 6 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.617 -0.568 17805 2656 1 6 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.357 2.971 17805 2657 1 6 . 1 1 80 80 GLU CB C 80 31.287 31.287 31.062 0.225 17805 2658 1 6 . 1 1 80 80 GLU H H 80 8.015 8.015 8.651 -0.636 17805 2659 1 7 . 1 1 2 2 ALA N N 2 126.014 126.014 126.310 -0.296 17805 2660 1 7 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.280 -0.247 17805 2661 1 7 . 1 1 2 2 ALA C C 2 176.202 176.202 176.907 -0.705 17805 2662 1 7 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.933 1.282 17805 2663 1 7 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.082 0.294 17805 2664 1 7 . 1 1 2 2 ALA H H 2 8.410 8.410 8.421 -0.011 17805 2665 1 7 . 1 1 3 3 LEU N N 3 123.255 123.255 125.324 -2.069 17805 2666 1 7 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.546 0.100 17805 2667 1 7 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.871 -0.054 17805 2668 1 7 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.664 0.893 17805 2669 1 7 . 1 1 3 3 LEU H H 3 8.271 8.271 8.423 -0.152 17805 2670 1 7 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.741 -0.135 17805 2671 1 7 . 1 1 4 4 PRO C C 4 179.796 179.796 175.580 4.216 17805 2672 1 7 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.341 0.899 17805 2673 1 7 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.894 -0.824 17805 2674 1 7 . 1 1 5 5 ILE N N 5 122.161 122.161 117.766 4.395 17805 2675 1 7 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.783 -0.424 17805 2676 1 7 . 1 1 5 5 ILE C C 5 179.202 179.202 175.675 3.527 17805 2677 1 7 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.094 0.739 17805 2678 1 7 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.470 1.473 17805 2679 1 7 . 1 1 5 5 ILE H H 5 8.317 8.317 7.797 0.520 17805 2680 1 7 . 1 1 6 6 ILE N N 6 125.649 125.649 127.475 -1.826 17805 2681 1 7 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.612 0.309 17805 2682 1 7 . 1 1 6 6 ILE C C 6 178.393 178.393 174.688 3.705 17805 2683 1 7 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.830 -0.965 17805 2684 1 7 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.946 0.318 17805 2685 1 7 . 1 1 6 6 ILE H H 6 8.408 8.408 8.249 0.159 17805 2686 1 7 . 1 1 7 7 VAL N N 7 125.741 125.741 126.430 -0.689 17805 2687 1 7 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.843 0.087 17805 2688 1 7 . 1 1 7 7 VAL C C 7 178.215 178.215 173.992 4.223 17805 2689 1 7 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.854 0.509 17805 2690 1 7 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.318 -0.559 17805 2691 1 7 . 1 1 7 7 VAL H H 7 9.155 9.155 9.009 0.146 17805 2692 1 7 . 1 1 8 8 LYS N N 8 128.098 128.098 128.542 -0.444 17805 2693 1 7 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.365 -0.133 17805 2694 1 7 . 1 1 8 8 LYS C C 8 178.353 178.353 174.391 3.962 17805 2695 1 7 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.822 0.453 17805 2696 1 7 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.314 -0.379 17805 2697 1 7 . 1 1 8 8 LYS H H 8 9.174 9.174 8.885 0.289 17805 2698 1 7 . 1 1 9 9 TRP N N 9 125.952 125.952 128.160 -2.208 17805 2699 1 7 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.097 0.088 17805 2700 1 7 . 1 1 9 9 TRP C C 9 176.432 176.432 175.799 0.633 17805 2701 1 7 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.712 1.022 17805 2702 1 7 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.171 -1.610 17805 2703 1 7 . 1 1 9 9 TRP H H 9 8.844 8.844 8.501 0.343 17805 2704 1 7 . 1 1 10 10 GLY N N 10 117.044 117.044 115.625 1.419 17805 2705 1 7 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.205 1.896 17805 2706 1 7 . 1 1 10 10 GLY H H 10 8.683 8.683 8.480 0.203 17805 2707 1 7 . 1 1 11 11 GLY N N 11 109.364 109.364 105.102 4.262 17805 2708 1 7 . 1 1 11 11 GLY C C 11 179.353 179.353 174.591 4.762 17805 2709 1 7 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.761 0.699 17805 2710 1 7 . 1 1 11 11 GLY H H 11 8.600 8.600 8.436 0.164 17805 2711 1 7 . 1 1 12 12 GLN N N 12 119.388 119.388 119.579 -0.191 17805 2712 1 7 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.299 0.184 17805 2713 1 7 . 1 1 12 12 GLN C C 12 179.098 179.098 174.280 4.818 17805 2714 1 7 . 1 1 12 12 GLN CA C 12 54.502 54.502 55.234 -0.732 17805 2715 1 7 . 1 1 12 12 GLN CB C 12 32.178 32.178 30.270 1.908 17805 2716 1 7 . 1 1 12 12 GLN H H 12 7.865 7.865 7.954 -0.089 17805 2717 1 7 . 1 1 13 13 GLU N N 13 119.756 119.756 119.374 0.382 17805 2718 1 7 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.216 -0.336 17805 2719 1 7 . 1 1 13 13 GLU C C 13 177.641 177.641 175.311 2.330 17805 2720 1 7 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.066 0.589 17805 2721 1 7 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.266 0.040 17805 2722 1 7 . 1 1 13 13 GLU H H 13 8.172 8.172 8.052 0.120 17805 2723 1 7 . 1 1 14 14 TYR N N 14 122.812 122.812 123.679 -0.867 17805 2724 1 7 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.859 -0.258 17805 2725 1 7 . 1 1 14 14 TYR C C 14 177.990 177.990 174.680 3.310 17805 2726 1 7 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.936 0.310 17805 2727 1 7 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.322 -0.777 17805 2728 1 7 . 1 1 14 14 TYR H H 14 9.381 9.381 8.826 0.555 17805 2729 1 7 . 1 1 15 15 SER N N 15 118.339 118.339 117.683 0.656 17805 2730 1 7 . 1 1 15 15 SER HA H 15 4.747 4.747 5.271 -0.524 17805 2731 1 7 . 1 1 15 15 SER C C 15 178.924 178.924 173.674 5.250 17805 2732 1 7 . 1 1 15 15 SER CA C 15 58.099 58.099 56.768 1.331 17805 2733 1 7 . 1 1 15 15 SER CB C 15 63.394 63.394 64.576 -1.182 17805 2734 1 7 . 1 1 15 15 SER H H 15 8.802 8.802 8.624 0.178 17805 2735 1 7 . 1 1 16 16 VAL N N 16 128.611 128.611 122.062 6.549 17805 2736 1 7 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.393 -0.188 17805 2737 1 7 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.529 1.815 17805 2738 1 7 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.614 -2.086 17805 2739 1 7 . 1 1 16 16 VAL H H 16 9.005 9.005 8.636 0.369 17805 2740 1 7 . 1 1 17 17 THR N N 17 116.170 116.170 115.332 0.838 17805 2741 1 7 . 1 1 17 17 THR HA H 17 4.533 4.533 4.490 0.043 17805 2742 1 7 . 1 1 17 17 THR C C 17 177.649 177.649 173.887 3.762 17805 2743 1 7 . 1 1 17 17 THR CA C 17 62.331 62.331 62.158 0.173 17805 2744 1 7 . 1 1 17 17 THR CB C 17 70.040 70.040 68.675 1.365 17805 2745 1 7 . 1 1 17 17 THR H H 17 8.746 8.746 8.265 0.481 17805 2746 1 7 . 1 1 18 18 THR N N 18 107.517 107.517 114.412 -6.895 17805 2747 1 7 . 1 1 18 18 THR HA H 18 4.173 4.173 4.245 -0.072 17805 2748 1 7 . 1 1 18 18 THR C C 18 178.498 178.498 173.346 5.152 17805 2749 1 7 . 1 1 18 18 THR CA C 18 61.772 61.772 62.824 -1.052 17805 2750 1 7 . 1 1 18 18 THR CB C 18 69.121 69.121 69.170 -0.049 17805 2751 1 7 . 1 1 18 18 THR H H 18 6.812 6.812 7.967 -1.155 17805 2752 1 7 . 1 1 19 19 LEU N N 19 123.019 123.019 116.724 6.295 17805 2753 1 7 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.762 -0.179 17805 2754 1 7 . 1 1 19 19 LEU C C 19 177.299 177.299 174.760 2.539 17805 2755 1 7 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.514 1.666 17805 2756 1 7 . 1 1 19 19 LEU CB C 19 42.711 42.711 45.366 -2.655 17805 2757 1 7 . 1 1 19 19 LEU H H 19 8.388 8.388 7.176 1.212 17805 2758 1 7 . 1 1 20 20 SER N N 20 117.870 117.870 113.890 3.980 17805 2759 1 7 . 1 1 20 20 SER HA H 20 4.863 4.863 5.108 -0.245 17805 2760 1 7 . 1 1 20 20 SER C C 20 177.249 177.249 175.750 1.499 17805 2761 1 7 . 1 1 20 20 SER CA C 20 56.832 56.832 56.258 0.574 17805 2762 1 7 . 1 1 20 20 SER CB C 20 67.845 67.845 66.250 1.595 17805 2763 1 7 . 1 1 20 20 SER H H 20 9.714 9.714 8.575 1.139 17805 2764 1 7 . 1 1 21 21 GLU N N 21 116.130 116.130 122.665 -6.535 17805 2765 1 7 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.932 -0.192 17805 2766 1 7 . 1 1 21 21 GLU C C 21 176.555 176.555 176.566 -0.011 17805 2767 1 7 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.328 -0.194 17805 2768 1 7 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.157 1.697 17805 2769 1 7 . 1 1 21 21 GLU H H 21 8.491 8.491 8.952 -0.461 17805 2770 1 7 . 1 1 22 22 ASP N N 22 115.741 115.741 117.227 -1.486 17805 2771 1 7 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.575 0.075 17805 2772 1 7 . 1 1 22 22 ASP C C 22 176.555 176.555 176.257 0.298 17805 2773 1 7 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.193 -0.037 17805 2774 1 7 . 1 1 22 22 ASP CB C 22 42.579 42.579 39.806 2.773 17805 2775 1 7 . 1 1 22 22 ASP H H 22 7.936 7.936 7.985 -0.049 17805 2776 1 7 . 1 1 23 23 ASP N N 23 119.945 119.945 120.178 -0.233 17805 2777 1 7 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.625 0.216 17805 2778 1 7 . 1 1 23 23 ASP C C 23 178.264 178.264 175.615 2.649 17805 2779 1 7 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.635 -1.412 17805 2780 1 7 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.151 0.631 17805 2781 1 7 . 1 1 23 23 ASP H H 23 7.313 7.313 8.221 -0.908 17805 2782 1 7 . 1 1 24 24 THR N N 24 107.918 107.918 106.524 1.394 17805 2783 1 7 . 1 1 24 24 THR HA H 24 5.328 5.328 4.572 0.756 17805 2784 1 7 . 1 1 24 24 THR C C 24 176.363 176.363 174.172 2.191 17805 2785 1 7 . 1 1 24 24 THR CA C 24 60.989 60.989 61.606 -0.618 17805 2786 1 7 . 1 1 24 24 THR CB C 24 74.287 74.287 71.535 2.752 17805 2787 1 7 . 1 1 24 24 THR H H 24 9.630 9.630 7.560 2.070 17805 2788 1 7 . 1 1 25 25 VAL N N 25 120.192 120.192 123.594 -3.402 17805 2789 1 7 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.697 -0.363 17805 2790 1 7 . 1 1 25 25 VAL C C 25 175.092 175.092 177.400 -2.308 17805 2791 1 7 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.059 0.566 17805 2792 1 7 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.753 0.396 17805 2793 1 7 . 1 1 25 25 VAL H H 25 8.260 8.260 9.045 -0.785 17805 2794 1 7 . 1 1 26 26 LEU N N 26 119.941 119.941 119.305 0.636 17805 2795 1 7 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.022 -0.150 17805 2796 1 7 . 1 1 26 26 LEU C C 26 174.996 174.996 178.644 -3.648 17805 2797 1 7 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.360 0.232 17805 2798 1 7 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.371 0.345 17805 2799 1 7 . 1 1 26 26 LEU H H 26 8.523 8.523 8.160 0.363 17805 2800 1 7 . 1 1 27 27 ASP N N 27 118.322 118.322 119.960 -1.638 17805 2801 1 7 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.443 -0.170 17805 2802 1 7 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.940 1.723 17805 2803 1 7 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.972 -0.042 17805 2804 1 7 . 1 1 27 27 ASP H H 27 7.581 7.581 8.128 -0.547 17805 2805 1 7 . 1 1 28 28 LEU N N 28 122.021 122.021 121.427 0.594 17805 2806 1 7 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.184 -0.101 17805 2807 1 7 . 1 1 28 28 LEU C C 28 175.514 175.514 178.574 -3.060 17805 2808 1 7 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.727 1.045 17805 2809 1 7 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.283 -1.058 17805 2810 1 7 . 1 1 28 28 LEU H H 28 7.837 7.837 7.972 -0.135 17805 2811 1 7 . 1 1 29 29 LYS N N 29 119.086 119.086 119.298 -0.212 17805 2812 1 7 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.898 0.622 17805 2813 1 7 . 1 1 29 29 LYS C C 29 172.261 172.261 178.743 -6.482 17805 2814 1 7 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.875 -0.088 17805 2815 1 7 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.865 2.432 17805 2816 1 7 . 1 1 29 29 LYS H H 29 8.467 8.467 8.720 -0.253 17805 2817 1 7 . 1 1 30 30 GLN N N 30 119.268 119.268 118.318 0.950 17805 2818 1 7 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.024 -0.092 17805 2819 1 7 . 1 1 30 30 GLN C C 30 174.240 174.240 178.399 -4.159 17805 2820 1 7 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.526 1.137 17805 2821 1 7 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.030 -0.225 17805 2822 1 7 . 1 1 30 30 GLN H H 30 9.049 9.049 7.834 1.215 17805 2823 1 7 . 1 1 31 31 PHE N N 31 121.690 121.690 120.775 0.915 17805 2824 1 7 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.205 0.013 17805 2825 1 7 . 1 1 31 31 PHE C C 31 173.970 173.970 177.570 -3.600 17805 2826 1 7 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.181 0.786 17805 2827 1 7 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.386 -0.012 17805 2828 1 7 . 1 1 31 31 PHE H H 31 8.039 8.039 7.758 0.281 17805 2829 1 7 . 1 1 32 32 LEU N N 32 118.232 118.232 117.273 0.959 17805 2830 1 7 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.008 -0.371 17805 2831 1 7 . 1 1 32 32 LEU C C 32 172.367 172.367 178.283 -5.916 17805 2832 1 7 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.965 -0.257 17805 2833 1 7 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.867 0.403 17805 2834 1 7 . 1 1 32 32 LEU H H 32 8.776 8.776 8.218 0.558 17805 2835 1 7 . 1 1 33 33 LYS N N 33 125.920 125.920 119.585 6.335 17805 2836 1 7 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.094 -0.292 17805 2837 1 7 . 1 1 33 33 LYS C C 33 173.820 173.820 178.714 -4.894 17805 2838 1 7 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.519 1.597 17805 2839 1 7 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.232 0.469 17805 2840 1 7 . 1 1 33 33 LYS H H 33 8.237 8.237 8.501 -0.264 17805 2841 1 7 . 1 1 34 34 THR N N 34 114.544 114.544 114.120 0.424 17805 2842 1 7 . 1 1 34 34 THR HA H 34 3.773 3.773 4.058 -0.285 17805 2843 1 7 . 1 1 34 34 THR C C 34 177.649 177.649 175.726 1.923 17805 2844 1 7 . 1 1 34 34 THR CA C 34 65.749 65.749 64.279 1.470 17805 2845 1 7 . 1 1 34 34 THR CB C 34 68.620 68.620 68.453 0.168 17805 2846 1 7 . 1 1 34 34 THR H H 34 7.281 7.281 7.510 -0.229 17805 2847 1 7 . 1 1 35 35 LEU N N 35 117.590 117.590 118.073 -0.483 17805 2848 1 7 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.321 -0.303 17805 2849 1 7 . 1 1 35 35 LEU C C 35 175.105 175.105 177.373 -2.268 17805 2850 1 7 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.680 1.335 17805 2851 1 7 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.368 1.635 17805 2852 1 7 . 1 1 35 35 LEU H H 35 6.752 6.752 7.334 -0.582 17805 2853 1 7 . 1 1 36 36 THR N N 36 104.865 104.865 107.877 -3.012 17805 2854 1 7 . 1 1 36 36 THR HA H 36 3.967 3.967 4.396 -0.429 17805 2855 1 7 . 1 1 36 36 THR C C 36 178.094 178.094 175.955 2.139 17805 2856 1 7 . 1 1 36 36 THR CA C 36 62.756 62.756 63.477 -0.721 17805 2857 1 7 . 1 1 36 36 THR CB C 36 72.343 72.343 70.737 1.606 17805 2858 1 7 . 1 1 36 36 THR H H 36 7.675 7.675 7.961 -0.286 17805 2859 1 7 . 1 1 37 37 GLY N N 37 109.795 109.795 111.115 -1.320 17805 2860 1 7 . 1 1 37 37 GLY C C 37 179.368 179.368 173.804 5.564 17805 2861 1 7 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.940 -0.381 17805 2862 1 7 . 1 1 37 37 GLY H H 37 7.971 7.971 8.535 -0.564 17805 2863 1 7 . 1 1 38 38 VAL N N 38 122.557 122.557 122.730 -0.173 17805 2864 1 7 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.315 -0.677 17805 2865 1 7 . 1 1 38 38 VAL C C 38 177.289 177.289 174.350 2.939 17805 2866 1 7 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.432 2.005 17805 2867 1 7 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.491 -2.101 17805 2868 1 7 . 1 1 38 38 VAL H H 38 7.533 7.533 7.258 0.275 17805 2869 1 7 . 1 1 39 39 LEU N N 39 127.828 127.828 124.113 3.715 17805 2870 1 7 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.900 -0.906 17805 2871 1 7 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.887 3.550 17805 2872 1 7 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.300 0.257 17805 2873 1 7 . 1 1 39 39 LEU H H 39 8.634 8.634 8.272 0.362 17805 2874 1 7 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.622 -0.783 17805 2875 1 7 . 1 1 40 40 PRO C C 40 174.857 174.857 177.049 -2.192 17805 2876 1 7 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.657 2.332 17805 2877 1 7 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.990 0.332 17805 2878 1 7 . 1 1 41 41 GLU N N 41 114.752 114.752 114.166 0.586 17805 2879 1 7 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.049 0.022 17805 2880 1 7 . 1 1 41 41 GLU C C 41 176.350 176.350 177.558 -1.208 17805 2881 1 7 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.002 0.936 17805 2882 1 7 . 1 1 41 41 GLU CB C 41 28.824 28.824 28.616 0.208 17805 2883 1 7 . 1 1 41 41 GLU H H 41 9.746 9.746 8.318 1.428 17805 2884 1 7 . 1 1 42 42 ARG N N 42 118.145 118.145 117.274 0.871 17805 2885 1 7 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.472 -0.157 17805 2886 1 7 . 1 1 42 42 ARG C C 42 177.731 177.731 176.157 1.574 17805 2887 1 7 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.658 -1.210 17805 2888 1 7 . 1 1 42 42 ARG CB C 42 31.105 31.105 32.261 -1.156 17805 2889 1 7 . 1 1 42 42 ARG H H 42 7.938 7.938 7.525 0.413 17805 2890 1 7 . 1 1 43 43 GLN N N 43 118.250 118.250 116.007 2.243 17805 2891 1 7 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.745 -0.494 17805 2892 1 7 . 1 1 43 43 GLN C C 43 176.186 176.186 173.953 2.233 17805 2893 1 7 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.090 2.446 17805 2894 1 7 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.298 -1.306 17805 2895 1 7 . 1 1 43 43 GLN H H 43 7.034 7.034 7.547 -0.513 17805 2896 1 7 . 1 1 44 44 LYS N N 44 122.693 122.693 118.440 4.253 17805 2897 1 7 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.684 -0.220 17805 2898 1 7 . 1 1 44 44 LYS C C 44 178.040 178.040 174.419 3.621 17805 2899 1 7 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.670 0.882 17805 2900 1 7 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.806 -0.481 17805 2901 1 7 . 1 1 44 44 LYS H H 44 8.806 8.806 7.963 0.843 17805 2902 1 7 . 1 1 45 45 LEU N N 45 124.806 124.806 122.643 2.163 17805 2903 1 7 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.695 0.248 17805 2904 1 7 . 1 1 45 45 LEU C C 45 176.506 176.506 177.983 -1.477 17805 2905 1 7 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.028 -0.486 17805 2906 1 7 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.059 -0.238 17805 2907 1 7 . 1 1 45 45 LEU H H 45 8.704 8.704 8.622 0.082 17805 2908 1 7 . 1 1 46 46 LEU N N 46 124.709 124.709 125.582 -0.873 17805 2909 1 7 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.079 0.279 17805 2910 1 7 . 1 1 46 46 LEU C C 46 175.289 175.289 176.503 -1.214 17805 2911 1 7 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.377 -0.618 17805 2912 1 7 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.711 0.815 17805 2913 1 7 . 1 1 46 46 LEU H H 46 8.751 8.751 8.648 0.103 17805 2914 1 7 . 1 1 47 47 GLY N N 47 109.276 109.276 114.196 -4.920 17805 2915 1 7 . 1 1 47 47 GLY C C 47 179.057 179.057 172.533 6.524 17805 2916 1 7 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.326 0.234 17805 2917 1 7 . 1 1 47 47 GLY H H 47 8.300 8.300 8.104 0.196 17805 2918 1 7 . 1 1 48 48 LEU N N 48 119.707 119.707 120.449 -0.742 17805 2919 1 7 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.764 -0.174 17805 2920 1 7 . 1 1 48 48 LEU C C 48 177.598 177.598 175.134 2.464 17805 2921 1 7 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.391 0.554 17805 2922 1 7 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.451 -5.037 17805 2923 1 7 . 1 1 48 48 LEU H H 48 7.581 7.581 8.101 -0.520 17805 2924 1 7 . 1 1 49 49 LYS N N 49 124.527 124.527 121.462 3.065 17805 2925 1 7 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.754 0.098 17805 2926 1 7 . 1 1 49 49 LYS C C 49 178.059 178.059 175.521 2.538 17805 2927 1 7 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.941 0.722 17805 2928 1 7 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.434 4.147 17805 2929 1 7 . 1 1 49 49 LYS H H 49 8.606 8.606 8.206 0.400 17805 2930 1 7 . 1 1 50 50 VAL N N 50 119.184 119.184 123.651 -4.467 17805 2931 1 7 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.441 -0.328 17805 2932 1 7 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.718 1.147 17805 2933 1 7 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.672 1.062 17805 2934 1 7 . 1 1 50 50 VAL H H 50 8.799 8.799 8.450 0.349 17805 2935 1 7 . 1 1 51 51 LYS N N 51 127.069 127.069 126.930 0.139 17805 2936 1 7 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.996 -0.172 17805 2937 1 7 . 1 1 51 51 LYS C C 51 176.418 176.418 176.379 0.039 17805 2938 1 7 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.996 0.411 17805 2939 1 7 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.826 0.829 17805 2940 1 7 . 1 1 51 51 LYS H H 51 9.451 9.451 9.258 0.193 17805 2941 1 7 . 1 1 52 52 GLY N N 52 102.671 102.671 103.436 -0.765 17805 2942 1 7 . 1 1 52 52 GLY C C 52 179.392 179.392 174.483 4.909 17805 2943 1 7 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.073 0.737 17805 2944 1 7 . 1 1 52 52 GLY H H 52 8.512 8.512 8.507 0.005 17805 2945 1 7 . 1 1 53 53 LYS N N 53 121.307 121.307 121.091 0.216 17805 2946 1 7 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.776 0.053 17805 2947 1 7 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.104 0.512 17805 2948 1 7 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.353 0.586 17805 2949 1 7 . 1 1 53 53 LYS H H 53 7.781 7.781 7.890 -0.109 17805 2950 1 7 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.381 -0.005 17805 2951 1 7 . 1 1 54 54 PRO C C 54 175.954 175.954 176.044 -0.090 17805 2952 1 7 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.745 1.072 17805 2953 1 7 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.852 2.299 17805 2954 1 7 . 1 1 55 55 ALA N N 55 125.654 125.654 122.841 2.813 17805 2955 1 7 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.915 0.223 17805 2956 1 7 . 1 1 55 55 ALA C C 55 175.977 175.977 176.851 -0.874 17805 2957 1 7 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.592 0.072 17805 2958 1 7 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.113 1.931 17805 2959 1 7 . 1 1 55 55 ALA H H 55 8.114 8.114 8.171 -0.057 17805 2960 1 7 . 1 1 56 56 GLU N N 56 122.313 122.313 121.145 1.168 17805 2961 1 7 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.051 0.164 17805 2962 1 7 . 1 1 56 56 GLU C C 56 176.924 176.924 177.844 -0.920 17805 2963 1 7 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.689 -0.600 17805 2964 1 7 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.516 0.570 17805 2965 1 7 . 1 1 56 56 GLU H H 56 8.179 8.179 8.339 -0.160 17805 2966 1 7 . 1 1 57 57 ASN N N 57 115.140 115.140 120.327 -5.187 17805 2967 1 7 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.388 -0.159 17805 2968 1 7 . 1 1 57 57 ASN C C 57 177.457 177.457 176.200 1.257 17805 2969 1 7 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.664 -1.465 17805 2970 1 7 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.521 0.706 17805 2971 1 7 . 1 1 57 57 ASN H H 57 8.504 8.504 8.839 -0.335 17805 2972 1 7 . 1 1 58 58 ASP N N 58 112.832 112.832 116.454 -3.622 17805 2973 1 7 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.520 -0.032 17805 2974 1 7 . 1 1 58 58 ASP C C 58 177.255 177.255 176.272 0.983 17805 2975 1 7 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.042 -1.435 17805 2976 1 7 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.728 -0.424 17805 2977 1 7 . 1 1 58 58 ASP H H 58 8.198 8.198 8.386 -0.188 17805 2978 1 7 . 1 1 59 59 VAL N N 59 122.073 122.073 120.741 1.332 17805 2979 1 7 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.928 -0.335 17805 2980 1 7 . 1 1 59 59 VAL C C 59 177.321 177.321 175.766 1.555 17805 2981 1 7 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.309 0.531 17805 2982 1 7 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.568 -0.246 17805 2983 1 7 . 1 1 59 59 VAL H H 59 7.353 7.353 7.696 -0.343 17805 2984 1 7 . 1 1 60 60 LYS N N 60 125.064 125.064 125.737 -0.673 17805 2985 1 7 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.125 0.322 17805 2986 1 7 . 1 1 60 60 LYS C C 60 174.649 174.649 177.110 -2.461 17805 2987 1 7 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.825 -0.639 17805 2988 1 7 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.670 0.435 17805 2989 1 7 . 1 1 60 60 LYS H H 60 8.339 8.339 8.393 -0.054 17805 2990 1 7 . 1 1 61 61 LEU N N 61 121.612 121.612 121.082 0.530 17805 2991 1 7 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.245 -0.469 17805 2992 1 7 . 1 1 61 61 LEU C C 61 171.906 171.906 179.098 -7.192 17805 2993 1 7 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.974 1.013 17805 2994 1 7 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.982 -0.150 17805 2995 1 7 . 1 1 61 61 LEU H H 61 9.423 9.423 8.501 0.922 17805 2996 1 7 . 1 1 62 62 GLY N N 62 104.008 104.008 105.127 -1.119 17805 2997 1 7 . 1 1 62 62 GLY C C 62 177.869 177.869 175.061 2.808 17805 2998 1 7 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.822 -0.050 17805 2999 1 7 . 1 1 62 62 GLY H H 62 9.107 9.107 7.624 1.483 17805 3000 1 7 . 1 1 63 63 ALA N N 63 122.025 122.025 123.342 -1.317 17805 3001 1 7 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.210 0.063 17805 3002 1 7 . 1 1 63 63 ALA C C 63 174.499 174.499 178.309 -3.810 17805 3003 1 7 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.312 -0.891 17805 3004 1 7 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.796 0.020 17805 3005 1 7 . 1 1 63 63 ALA H H 63 7.755 7.755 8.022 -0.267 17805 3006 1 7 . 1 1 64 64 LEU N N 64 115.454 115.454 113.907 1.547 17805 3007 1 7 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.531 -0.463 17805 3008 1 7 . 1 1 64 64 LEU C C 64 177.197 177.197 177.732 -0.535 17805 3009 1 7 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.300 0.267 17805 3010 1 7 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.345 -0.209 17805 3011 1 7 . 1 1 64 64 LEU H H 64 7.214 7.214 7.504 -0.290 17805 3012 1 7 . 1 1 65 65 LYS N N 65 114.830 114.830 118.697 -3.867 17805 3013 1 7 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.056 -0.218 17805 3014 1 7 . 1 1 65 65 LYS C C 65 177.061 177.061 176.931 0.130 17805 3015 1 7 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.600 -1.863 17805 3016 1 7 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.009 -3.702 17805 3017 1 7 . 1 1 65 65 LYS H H 65 7.642 7.642 8.024 -0.382 17805 3018 1 7 . 1 1 66 66 LEU N N 66 119.305 119.305 111.435 7.870 17805 3019 1 7 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.541 -0.378 17805 3020 1 7 . 1 1 66 66 LEU C C 66 175.393 175.393 175.718 -0.325 17805 3021 1 7 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.437 0.410 17805 3022 1 7 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.815 -0.103 17805 3023 1 7 . 1 1 66 66 LEU H H 66 8.516 8.516 7.476 1.040 17805 3024 1 7 . 1 1 67 67 LYS N N 67 121.480 121.480 120.338 1.142 17805 3025 1 7 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.489 0.008 17805 3026 1 7 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.116 -1.964 17805 3027 1 7 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.747 0.252 17805 3028 1 7 . 1 1 67 67 LYS H H 67 7.955 7.955 8.386 -0.431 17805 3029 1 7 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.356 -0.187 17805 3030 1 7 . 1 1 68 68 PRO C C 68 176.609 176.609 177.770 -1.161 17805 3031 1 7 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.587 -1.198 17805 3032 1 7 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.987 0.227 17805 3033 1 7 . 1 1 69 69 ASN N N 69 115.414 115.414 115.730 -0.316 17805 3034 1 7 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.454 -0.492 17805 3035 1 7 . 1 1 69 69 ASN C C 69 178.824 178.824 175.805 3.019 17805 3036 1 7 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.740 0.281 17805 3037 1 7 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.324 -0.277 17805 3038 1 7 . 1 1 69 69 ASN H H 69 8.966 8.966 8.450 0.516 17805 3039 1 7 . 1 1 70 70 THR N N 70 115.426 115.426 114.406 1.020 17805 3040 1 7 . 1 1 70 70 THR HA H 70 3.949 3.949 4.318 -0.369 17805 3041 1 7 . 1 1 70 70 THR C C 70 180.592 180.592 174.374 6.218 17805 3042 1 7 . 1 1 70 70 THR CA C 70 65.247 65.247 62.794 2.453 17805 3043 1 7 . 1 1 70 70 THR CB C 70 70.132 70.132 69.865 0.267 17805 3044 1 7 . 1 1 70 70 THR H H 70 7.712 7.712 7.663 0.049 17805 3045 1 7 . 1 1 71 71 LYS N N 71 124.603 124.603 123.489 1.114 17805 3046 1 7 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.837 0.342 17805 3047 1 7 . 1 1 71 71 LYS C C 71 177.157 177.157 175.606 1.551 17805 3048 1 7 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.981 0.359 17805 3049 1 7 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.129 -0.400 17805 3050 1 7 . 1 1 71 71 LYS H H 71 8.284 8.284 8.223 0.061 17805 3051 1 7 . 1 1 72 72 ILE N N 72 123.505 123.505 119.344 4.161 17805 3052 1 7 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.518 -0.007 17805 3053 1 7 . 1 1 72 72 ILE C C 72 178.360 178.360 174.841 3.519 17805 3054 1 7 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.464 0.172 17805 3055 1 7 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.897 -0.070 17805 3056 1 7 . 1 1 72 72 ILE H H 72 9.142 9.142 8.867 0.275 17805 3057 1 7 . 1 1 73 73 MET N N 73 123.090 123.090 121.212 1.878 17805 3058 1 7 . 1 1 73 73 MET HA H 73 5.122 5.122 4.947 0.175 17805 3059 1 7 . 1 1 73 73 MET C C 73 179.095 179.095 175.364 3.731 17805 3060 1 7 . 1 1 73 73 MET CA C 73 54.949 54.949 55.047 -0.098 17805 3061 1 7 . 1 1 73 73 MET CB C 73 35.143 35.143 35.529 -0.386 17805 3062 1 7 . 1 1 73 73 MET H H 73 8.556 8.556 8.849 -0.293 17805 3063 1 7 . 1 1 74 74 MET N N 74 124.481 124.481 122.348 2.133 17805 3064 1 7 . 1 1 74 74 MET HA H 74 5.288 5.288 4.689 0.599 17805 3065 1 7 . 1 1 74 74 MET C C 74 178.476 178.476 175.237 3.239 17805 3066 1 7 . 1 1 74 74 MET CA C 74 54.862 54.862 55.209 -0.346 17805 3067 1 7 . 1 1 74 74 MET CB C 74 36.294 36.294 33.938 2.356 17805 3068 1 7 . 1 1 74 74 MET H H 74 8.924 8.924 8.952 -0.028 17805 3069 1 7 . 1 1 75 75 MET N N 75 123.963 123.963 124.853 -0.890 17805 3070 1 7 . 1 1 75 75 MET HA H 75 5.093 5.093 4.827 0.266 17805 3071 1 7 . 1 1 75 75 MET C C 75 177.842 177.842 174.884 2.958 17805 3072 1 7 . 1 1 75 75 MET CA C 75 54.265 54.265 54.469 -0.204 17805 3073 1 7 . 1 1 75 75 MET CB C 75 35.566 35.566 33.130 2.436 17805 3074 1 7 . 1 1 75 75 MET H H 75 9.112 9.112 8.066 1.046 17805 3075 1 7 . 1 1 76 76 GLY N N 76 109.773 109.773 111.161 -1.388 17805 3076 1 7 . 1 1 76 76 GLY C C 76 180.165 180.165 172.566 7.599 17805 3077 1 7 . 1 1 76 76 GLY CA C 76 45.901 45.901 44.958 0.943 17805 3078 1 7 . 1 1 76 76 GLY H H 76 8.711 8.711 8.542 0.169 17805 3079 1 7 . 1 1 77 77 THR N N 77 113.345 113.345 114.521 -1.176 17805 3080 1 7 . 1 1 77 77 THR HA H 77 4.787 4.787 4.750 0.037 17805 3081 1 7 . 1 1 77 77 THR C C 77 178.955 178.955 173.098 5.857 17805 3082 1 7 . 1 1 77 77 THR CA C 77 60.728 60.728 60.582 0.146 17805 3083 1 7 . 1 1 77 77 THR CB C 77 71.481 71.481 71.002 0.479 17805 3084 1 7 . 1 1 77 77 THR H H 77 8.280 8.280 8.184 0.096 17805 3085 1 7 . 1 1 78 78 ARG N N 78 122.844 122.844 122.619 0.225 17805 3086 1 7 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.348 -0.200 17805 3087 1 7 . 1 1 78 78 ARG C C 78 177.011 177.011 176.407 0.604 17805 3088 1 7 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.647 1.234 17805 3089 1 7 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.775 0.832 17805 3090 1 7 . 1 1 78 78 ARG H H 78 8.852 8.852 8.591 0.261 17805 3091 1 7 . 1 1 79 79 GLU N N 79 122.181 122.181 121.650 0.531 17805 3092 1 7 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.275 -0.069 17805 3093 1 7 . 1 1 79 79 GLU C C 79 176.784 176.784 176.607 0.177 17805 3094 1 7 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.802 1.205 17805 3095 1 7 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.367 0.397 17805 3096 1 7 . 1 1 79 79 GLU H H 79 8.300 8.300 8.469 -0.169 17805 3097 1 7 . 1 1 80 80 GLU N N 80 126.965 126.965 121.005 5.960 17805 3098 1 7 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.237 -0.188 17805 3099 1 7 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.770 1.558 17805 3100 1 7 . 1 1 80 80 GLU CB C 80 31.287 31.287 28.710 2.577 17805 3101 1 7 . 1 1 80 80 GLU H H 80 8.015 8.015 8.519 -0.504 17805 3102 1 8 . 1 1 2 2 ALA N N 2 126.014 126.014 124.452 1.562 17805 3103 1 8 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.739 -0.706 17805 3104 1 8 . 1 1 2 2 ALA C C 2 176.202 176.202 176.217 -0.015 17805 3105 1 8 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.407 1.808 17805 3106 1 8 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.751 -0.375 17805 3107 1 8 . 1 1 2 2 ALA H H 2 8.410 8.410 8.390 0.020 17805 3108 1 8 . 1 1 3 3 LEU N N 3 123.255 123.255 125.205 -1.950 17805 3109 1 8 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.658 -0.012 17805 3110 1 8 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.364 -0.547 17805 3111 1 8 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.957 0.600 17805 3112 1 8 . 1 1 3 3 LEU H H 3 8.271 8.271 8.496 -0.225 17805 3113 1 8 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.742 -0.136 17805 3114 1 8 . 1 1 4 4 PRO C C 4 179.796 179.796 175.592 4.204 17805 3115 1 8 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.346 0.894 17805 3116 1 8 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.892 -0.822 17805 3117 1 8 . 1 1 5 5 ILE N N 5 122.161 122.161 117.711 4.450 17805 3118 1 8 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.782 -0.423 17805 3119 1 8 . 1 1 5 5 ILE C C 5 179.202 179.202 175.648 3.554 17805 3120 1 8 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.061 0.772 17805 3121 1 8 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.488 1.455 17805 3122 1 8 . 1 1 5 5 ILE H H 5 8.317 8.317 7.789 0.528 17805 3123 1 8 . 1 1 6 6 ILE N N 6 125.649 125.649 127.800 -2.151 17805 3124 1 8 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.471 0.450 17805 3125 1 8 . 1 1 6 6 ILE C C 6 178.393 178.393 175.087 3.306 17805 3126 1 8 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.025 -1.160 17805 3127 1 8 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.466 0.798 17805 3128 1 8 . 1 1 6 6 ILE H H 6 8.408 8.408 8.123 0.285 17805 3129 1 8 . 1 1 7 7 VAL N N 7 125.741 125.741 126.645 -0.904 17805 3130 1 8 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.737 0.193 17805 3131 1 8 . 1 1 7 7 VAL C C 7 178.215 178.215 174.926 3.289 17805 3132 1 8 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.805 -0.442 17805 3133 1 8 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.239 0.520 17805 3134 1 8 . 1 1 7 7 VAL H H 7 9.155 9.155 8.949 0.206 17805 3135 1 8 . 1 1 8 8 LYS N N 8 128.098 128.098 125.467 2.631 17805 3136 1 8 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.401 -0.169 17805 3137 1 8 . 1 1 8 8 LYS C C 8 178.353 178.353 174.460 3.893 17805 3138 1 8 . 1 1 8 8 LYS CA C 8 55.275 55.275 55.116 0.159 17805 3139 1 8 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.686 -0.751 17805 3140 1 8 . 1 1 8 8 LYS H H 8 9.174 9.174 8.811 0.363 17805 3141 1 8 . 1 1 9 9 TRP N N 9 125.952 125.952 127.516 -1.564 17805 3142 1 8 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.022 0.163 17805 3143 1 8 . 1 1 9 9 TRP C C 9 176.432 176.432 175.825 0.607 17805 3144 1 8 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.601 1.133 17805 3145 1 8 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.741 -1.180 17805 3146 1 8 . 1 1 9 9 TRP H H 9 8.844 8.844 8.540 0.304 17805 3147 1 8 . 1 1 10 10 GLY N N 10 117.044 117.044 117.126 -0.082 17805 3148 1 8 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.342 1.760 17805 3149 1 8 . 1 1 10 10 GLY H H 10 8.683 8.683 8.805 -0.122 17805 3150 1 8 . 1 1 11 11 GLY N N 11 109.364 109.364 105.936 3.428 17805 3151 1 8 . 1 1 11 11 GLY C C 11 179.353 179.353 174.491 4.862 17805 3152 1 8 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.756 0.704 17805 3153 1 8 . 1 1 11 11 GLY H H 11 8.600 8.600 8.261 0.339 17805 3154 1 8 . 1 1 12 12 GLN N N 12 119.388 119.388 120.155 -0.767 17805 3155 1 8 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.325 0.158 17805 3156 1 8 . 1 1 12 12 GLN C C 12 179.098 179.098 175.152 3.946 17805 3157 1 8 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.707 -0.205 17805 3158 1 8 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.967 2.211 17805 3159 1 8 . 1 1 12 12 GLN H H 12 7.865 7.865 7.913 -0.048 17805 3160 1 8 . 1 1 13 13 GLU N N 13 119.756 119.756 119.919 -0.163 17805 3161 1 8 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.246 -0.366 17805 3162 1 8 . 1 1 13 13 GLU C C 13 177.641 177.641 175.248 2.393 17805 3163 1 8 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.004 0.651 17805 3164 1 8 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.764 -0.458 17805 3165 1 8 . 1 1 13 13 GLU H H 13 8.172 8.172 8.062 0.110 17805 3166 1 8 . 1 1 14 14 TYR N N 14 122.812 122.812 124.550 -1.738 17805 3167 1 8 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.823 -0.222 17805 3168 1 8 . 1 1 14 14 TYR C C 14 177.990 177.990 174.818 3.172 17805 3169 1 8 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.866 0.380 17805 3170 1 8 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.901 -0.357 17805 3171 1 8 . 1 1 14 14 TYR H H 14 9.381 9.381 8.951 0.430 17805 3172 1 8 . 1 1 15 15 SER N N 15 118.339 118.339 119.013 -0.674 17805 3173 1 8 . 1 1 15 15 SER HA H 15 4.747 4.747 5.242 -0.495 17805 3174 1 8 . 1 1 15 15 SER C C 15 178.924 178.924 174.164 4.760 17805 3175 1 8 . 1 1 15 15 SER CA C 15 58.099 58.099 57.118 0.980 17805 3176 1 8 . 1 1 15 15 SER CB C 15 63.394 63.394 64.632 -1.238 17805 3177 1 8 . 1 1 15 15 SER H H 15 8.802 8.802 8.709 0.093 17805 3178 1 8 . 1 1 16 16 VAL N N 16 128.611 128.611 121.172 7.439 17805 3179 1 8 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.464 -0.259 17805 3180 1 8 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.095 1.249 17805 3181 1 8 . 1 1 16 16 VAL CB C 16 32.528 32.528 35.502 -2.974 17805 3182 1 8 . 1 1 16 16 VAL H H 16 9.005 9.005 8.300 0.705 17805 3183 1 8 . 1 1 17 17 THR N N 17 116.170 116.170 115.430 0.740 17805 3184 1 8 . 1 1 17 17 THR HA H 17 4.533 4.533 4.488 0.045 17805 3185 1 8 . 1 1 17 17 THR C C 17 177.649 177.649 173.876 3.773 17805 3186 1 8 . 1 1 17 17 THR CA C 17 62.331 62.331 62.438 -0.107 17805 3187 1 8 . 1 1 17 17 THR CB C 17 70.040 70.040 68.833 1.207 17805 3188 1 8 . 1 1 17 17 THR H H 17 8.746 8.746 8.349 0.397 17805 3189 1 8 . 1 1 18 18 THR N N 18 107.517 107.517 114.326 -6.809 17805 3190 1 8 . 1 1 18 18 THR HA H 18 4.173 4.173 4.250 -0.077 17805 3191 1 8 . 1 1 18 18 THR C C 18 178.498 178.498 173.407 5.091 17805 3192 1 8 . 1 1 18 18 THR CA C 18 61.772 61.772 62.605 -0.834 17805 3193 1 8 . 1 1 18 18 THR CB C 18 69.121 69.121 69.131 -0.010 17805 3194 1 8 . 1 1 18 18 THR H H 18 6.812 6.812 8.024 -1.212 17805 3195 1 8 . 1 1 19 19 LEU N N 19 123.019 123.019 116.372 6.647 17805 3196 1 8 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.766 -0.183 17805 3197 1 8 . 1 1 19 19 LEU C C 19 177.299 177.299 174.679 2.620 17805 3198 1 8 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.513 1.667 17805 3199 1 8 . 1 1 19 19 LEU CB C 19 42.711 42.711 45.141 -2.430 17805 3200 1 8 . 1 1 19 19 LEU H H 19 8.388 8.388 7.155 1.233 17805 3201 1 8 . 1 1 20 20 SER N N 20 117.870 117.870 114.045 3.825 17805 3202 1 8 . 1 1 20 20 SER HA H 20 4.863 4.863 5.115 -0.252 17805 3203 1 8 . 1 1 20 20 SER C C 20 177.249 177.249 175.730 1.519 17805 3204 1 8 . 1 1 20 20 SER CA C 20 56.832 56.832 56.255 0.577 17805 3205 1 8 . 1 1 20 20 SER CB C 20 67.845 67.845 66.248 1.597 17805 3206 1 8 . 1 1 20 20 SER H H 20 9.714 9.714 8.566 1.148 17805 3207 1 8 . 1 1 21 21 GLU N N 21 116.130 116.130 121.795 -5.665 17805 3208 1 8 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.933 -0.193 17805 3209 1 8 . 1 1 21 21 GLU C C 21 176.555 176.555 176.430 0.125 17805 3210 1 8 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.316 -0.182 17805 3211 1 8 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.910 1.944 17805 3212 1 8 . 1 1 21 21 GLU H H 21 8.491 8.491 9.071 -0.580 17805 3213 1 8 . 1 1 22 22 ASP N N 22 115.741 115.741 114.109 1.632 17805 3214 1 8 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.582 0.068 17805 3215 1 8 . 1 1 22 22 ASP C C 22 176.555 176.555 177.214 -0.659 17805 3216 1 8 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.668 0.488 17805 3217 1 8 . 1 1 22 22 ASP CB C 22 42.579 42.579 39.581 2.998 17805 3218 1 8 . 1 1 22 22 ASP H H 22 7.936 7.936 8.517 -0.581 17805 3219 1 8 . 1 1 23 23 ASP N N 23 119.945 119.945 120.700 -0.755 17805 3220 1 8 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.635 0.206 17805 3221 1 8 . 1 1 23 23 ASP C C 23 178.264 178.264 176.376 1.888 17805 3222 1 8 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.596 -1.373 17805 3223 1 8 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.118 0.664 17805 3224 1 8 . 1 1 23 23 ASP H H 23 7.313 7.313 8.143 -0.830 17805 3225 1 8 . 1 1 24 24 THR N N 24 107.918 107.918 107.784 0.134 17805 3226 1 8 . 1 1 24 24 THR HA H 24 5.328 5.328 4.485 0.843 17805 3227 1 8 . 1 1 24 24 THR C C 24 176.363 176.363 174.115 2.248 17805 3228 1 8 . 1 1 24 24 THR CA C 24 60.989 60.989 61.607 -0.618 17805 3229 1 8 . 1 1 24 24 THR CB C 24 74.287 74.287 71.031 3.256 17805 3230 1 8 . 1 1 24 24 THR H H 24 9.630 9.630 7.618 2.012 17805 3231 1 8 . 1 1 25 25 VAL N N 25 120.192 120.192 123.564 -3.372 17805 3232 1 8 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.730 -0.396 17805 3233 1 8 . 1 1 25 25 VAL C C 25 175.092 175.092 177.292 -2.200 17805 3234 1 8 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.938 0.688 17805 3235 1 8 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.806 0.343 17805 3236 1 8 . 1 1 25 25 VAL H H 25 8.260 8.260 9.142 -0.882 17805 3237 1 8 . 1 1 26 26 LEU N N 26 119.941 119.941 119.866 0.075 17805 3238 1 8 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.018 -0.146 17805 3239 1 8 . 1 1 26 26 LEU C C 26 174.996 174.996 178.579 -3.583 17805 3240 1 8 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.431 0.161 17805 3241 1 8 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.408 0.308 17805 3242 1 8 . 1 1 26 26 LEU H H 26 8.523 8.523 7.961 0.562 17805 3243 1 8 . 1 1 27 27 ASP N N 27 118.322 118.322 119.918 -1.596 17805 3244 1 8 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.442 -0.169 17805 3245 1 8 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.968 1.695 17805 3246 1 8 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.963 -0.032 17805 3247 1 8 . 1 1 27 27 ASP H H 27 7.581 7.581 8.131 -0.550 17805 3248 1 8 . 1 1 28 28 LEU N N 28 122.021 122.021 121.434 0.587 17805 3249 1 8 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.196 -0.113 17805 3250 1 8 . 1 1 28 28 LEU C C 28 175.514 175.514 178.557 -3.043 17805 3251 1 8 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.744 1.028 17805 3252 1 8 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.301 -1.076 17805 3253 1 8 . 1 1 28 28 LEU H H 28 7.837 7.837 7.938 -0.101 17805 3254 1 8 . 1 1 29 29 LYS N N 29 119.086 119.086 119.347 -0.261 17805 3255 1 8 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.897 0.623 17805 3256 1 8 . 1 1 29 29 LYS C C 29 172.261 172.261 178.770 -6.509 17805 3257 1 8 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.867 -0.080 17805 3258 1 8 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.849 2.448 17805 3259 1 8 . 1 1 29 29 LYS H H 29 8.467 8.467 8.744 -0.277 17805 3260 1 8 . 1 1 30 30 GLN N N 30 119.268 119.268 118.305 0.963 17805 3261 1 8 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.026 -0.094 17805 3262 1 8 . 1 1 30 30 GLN C C 30 174.240 174.240 178.377 -4.137 17805 3263 1 8 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.523 1.140 17805 3264 1 8 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.037 -0.231 17805 3265 1 8 . 1 1 30 30 GLN H H 30 9.049 9.049 7.830 1.219 17805 3266 1 8 . 1 1 31 31 PHE N N 31 121.690 121.690 120.800 0.890 17805 3267 1 8 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.208 0.010 17805 3268 1 8 . 1 1 31 31 PHE C C 31 173.970 173.970 177.554 -3.584 17805 3269 1 8 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.108 0.859 17805 3270 1 8 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.409 -0.035 17805 3271 1 8 . 1 1 31 31 PHE H H 31 8.039 8.039 7.731 0.308 17805 3272 1 8 . 1 1 32 32 LEU N N 32 118.232 118.232 117.118 1.114 17805 3273 1 8 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.015 -0.378 17805 3274 1 8 . 1 1 32 32 LEU C C 32 172.367 172.367 178.230 -5.863 17805 3275 1 8 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.937 -0.229 17805 3276 1 8 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.971 0.299 17805 3277 1 8 . 1 1 32 32 LEU H H 32 8.776 8.776 8.342 0.434 17805 3278 1 8 . 1 1 33 33 LYS N N 33 125.920 125.920 120.175 5.745 17805 3279 1 8 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.043 -0.241 17805 3280 1 8 . 1 1 33 33 LYS C C 33 173.820 173.820 178.678 -4.858 17805 3281 1 8 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.786 1.329 17805 3282 1 8 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.167 0.534 17805 3283 1 8 . 1 1 33 33 LYS H H 33 8.237 8.237 8.539 -0.302 17805 3284 1 8 . 1 1 34 34 THR N N 34 114.544 114.544 112.961 1.583 17805 3285 1 8 . 1 1 34 34 THR HA H 34 3.773 3.773 4.056 -0.283 17805 3286 1 8 . 1 1 34 34 THR C C 34 177.649 177.649 175.257 2.392 17805 3287 1 8 . 1 1 34 34 THR CA C 34 65.749 65.749 64.813 0.936 17805 3288 1 8 . 1 1 34 34 THR CB C 34 68.620 68.620 68.578 0.042 17805 3289 1 8 . 1 1 34 34 THR H H 34 7.281 7.281 7.488 -0.207 17805 3290 1 8 . 1 1 35 35 LEU N N 35 117.590 117.590 118.439 -0.849 17805 3291 1 8 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.238 -0.220 17805 3292 1 8 . 1 1 35 35 LEU C C 35 175.105 175.105 177.093 -1.988 17805 3293 1 8 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.736 1.279 17805 3294 1 8 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.608 1.395 17805 3295 1 8 . 1 1 35 35 LEU H H 35 6.752 6.752 7.349 -0.597 17805 3296 1 8 . 1 1 36 36 THR N N 36 104.865 104.865 106.877 -2.012 17805 3297 1 8 . 1 1 36 36 THR HA H 36 3.967 3.967 4.244 -0.277 17805 3298 1 8 . 1 1 36 36 THR C C 36 178.094 178.094 175.626 2.468 17805 3299 1 8 . 1 1 36 36 THR CA C 36 62.756 62.756 63.201 -0.445 17805 3300 1 8 . 1 1 36 36 THR CB C 36 72.343 72.343 70.441 1.902 17805 3301 1 8 . 1 1 36 36 THR H H 36 7.675 7.675 8.000 -0.325 17805 3302 1 8 . 1 1 37 37 GLY N N 37 109.795 109.795 109.896 -0.101 17805 3303 1 8 . 1 1 37 37 GLY C C 37 179.368 179.368 173.869 5.499 17805 3304 1 8 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.702 -0.143 17805 3305 1 8 . 1 1 37 37 GLY H H 37 7.971 7.971 8.279 -0.308 17805 3306 1 8 . 1 1 38 38 VAL N N 38 122.557 122.557 123.326 -0.769 17805 3307 1 8 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.216 -0.578 17805 3308 1 8 . 1 1 38 38 VAL C C 38 177.289 177.289 174.774 2.515 17805 3309 1 8 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.691 0.746 17805 3310 1 8 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.091 -0.701 17805 3311 1 8 . 1 1 38 38 VAL H H 38 7.533 7.533 7.254 0.279 17805 3312 1 8 . 1 1 39 39 LEU N N 39 127.828 127.828 121.508 6.320 17805 3313 1 8 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.888 -0.894 17805 3314 1 8 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.908 3.529 17805 3315 1 8 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.623 -0.066 17805 3316 1 8 . 1 1 39 39 LEU H H 39 8.634 8.634 8.364 0.270 17805 3317 1 8 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.453 -0.614 17805 3318 1 8 . 1 1 40 40 PRO C C 40 174.857 174.857 177.510 -2.653 17805 3319 1 8 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.958 2.031 17805 3320 1 8 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.770 0.552 17805 3321 1 8 . 1 1 41 41 GLU N N 41 114.752 114.752 116.425 -1.673 17805 3322 1 8 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.120 -0.049 17805 3323 1 8 . 1 1 41 41 GLU C C 41 176.350 176.350 177.194 -0.844 17805 3324 1 8 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.163 0.775 17805 3325 1 8 . 1 1 41 41 GLU CB C 41 28.824 28.824 28.842 -0.018 17805 3326 1 8 . 1 1 41 41 GLU H H 41 9.746 9.746 8.408 1.338 17805 3327 1 8 . 1 1 42 42 ARG N N 42 118.145 118.145 116.769 1.376 17805 3328 1 8 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.432 -0.117 17805 3329 1 8 . 1 1 42 42 ARG C C 42 177.731 177.731 176.743 0.988 17805 3330 1 8 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.190 -0.742 17805 3331 1 8 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.909 -0.804 17805 3332 1 8 . 1 1 42 42 ARG H H 42 7.938 7.938 7.470 0.468 17805 3333 1 8 . 1 1 43 43 GLN N N 43 118.250 118.250 116.020 2.230 17805 3334 1 8 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.632 -0.381 17805 3335 1 8 . 1 1 43 43 GLN C C 43 176.186 176.186 173.995 2.191 17805 3336 1 8 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.302 2.235 17805 3337 1 8 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.092 -1.100 17805 3338 1 8 . 1 1 43 43 GLN H H 43 7.034 7.034 7.656 -0.622 17805 3339 1 8 . 1 1 44 44 LYS N N 44 122.693 122.693 118.811 3.882 17805 3340 1 8 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.697 -0.233 17805 3341 1 8 . 1 1 44 44 LYS C C 44 178.040 178.040 174.427 3.613 17805 3342 1 8 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.523 1.029 17805 3343 1 8 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.707 -0.382 17805 3344 1 8 . 1 1 44 44 LYS H H 44 8.806 8.806 8.042 0.764 17805 3345 1 8 . 1 1 45 45 LEU N N 45 124.806 124.806 122.861 1.945 17805 3346 1 8 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.704 0.239 17805 3347 1 8 . 1 1 45 45 LEU C C 45 176.506 176.506 177.988 -1.482 17805 3348 1 8 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.039 -0.497 17805 3349 1 8 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.019 -0.198 17805 3350 1 8 . 1 1 45 45 LEU H H 45 8.704 8.704 8.606 0.098 17805 3351 1 8 . 1 1 46 46 LEU N N 46 124.709 124.709 125.611 -0.902 17805 3352 1 8 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.088 0.270 17805 3353 1 8 . 1 1 46 46 LEU C C 46 175.289 175.289 176.569 -1.280 17805 3354 1 8 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.425 -0.666 17805 3355 1 8 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.672 0.854 17805 3356 1 8 . 1 1 46 46 LEU H H 46 8.751 8.751 8.652 0.099 17805 3357 1 8 . 1 1 47 47 GLY N N 47 109.276 109.276 113.675 -4.399 17805 3358 1 8 . 1 1 47 47 GLY C C 47 179.057 179.057 172.548 6.509 17805 3359 1 8 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.241 0.319 17805 3360 1 8 . 1 1 47 47 GLY H H 47 8.300 8.300 8.222 0.078 17805 3361 1 8 . 1 1 48 48 LEU N N 48 119.707 119.707 120.254 -0.547 17805 3362 1 8 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.740 -0.150 17805 3363 1 8 . 1 1 48 48 LEU C C 48 177.598 177.598 175.228 2.370 17805 3364 1 8 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.586 0.359 17805 3365 1 8 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.437 -5.023 17805 3366 1 8 . 1 1 48 48 LEU H H 48 7.581 7.581 8.279 -0.698 17805 3367 1 8 . 1 1 49 49 LYS N N 49 124.527 124.527 120.044 4.483 17805 3368 1 8 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.763 0.089 17805 3369 1 8 . 1 1 49 49 LYS C C 49 178.059 178.059 175.343 2.716 17805 3370 1 8 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.991 0.672 17805 3371 1 8 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.876 3.705 17805 3372 1 8 . 1 1 49 49 LYS H H 49 8.606 8.606 8.224 0.382 17805 3373 1 8 . 1 1 50 50 VAL N N 50 119.184 119.184 123.078 -3.894 17805 3374 1 8 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.439 -0.326 17805 3375 1 8 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.630 1.235 17805 3376 1 8 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.604 1.130 17805 3377 1 8 . 1 1 50 50 VAL H H 50 8.799 8.799 8.371 0.428 17805 3378 1 8 . 1 1 51 51 LYS N N 51 127.069 127.069 126.019 1.050 17805 3379 1 8 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.970 -0.146 17805 3380 1 8 . 1 1 51 51 LYS C C 51 176.418 176.418 176.307 0.111 17805 3381 1 8 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.011 0.396 17805 3382 1 8 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.152 0.503 17805 3383 1 8 . 1 1 51 51 LYS H H 51 9.451 9.451 9.280 0.171 17805 3384 1 8 . 1 1 52 52 GLY N N 52 102.671 102.671 103.565 -0.894 17805 3385 1 8 . 1 1 52 52 GLY C C 52 179.392 179.392 174.619 4.773 17805 3386 1 8 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.044 0.766 17805 3387 1 8 . 1 1 52 52 GLY H H 52 8.512 8.512 8.508 0.004 17805 3388 1 8 . 1 1 53 53 LYS N N 53 121.307 121.307 121.135 0.172 17805 3389 1 8 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.738 0.091 17805 3390 1 8 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.113 0.503 17805 3391 1 8 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.276 0.664 17805 3392 1 8 . 1 1 53 53 LYS H H 53 7.781 7.781 7.907 -0.126 17805 3393 1 8 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.350 0.026 17805 3394 1 8 . 1 1 54 54 PRO C C 54 175.954 175.954 176.156 -0.202 17805 3395 1 8 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.775 1.042 17805 3396 1 8 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.740 2.411 17805 3397 1 8 . 1 1 55 55 ALA N N 55 125.654 125.654 123.232 2.422 17805 3398 1 8 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.933 0.205 17805 3399 1 8 . 1 1 55 55 ALA C C 55 175.977 175.977 176.731 -0.754 17805 3400 1 8 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.651 0.013 17805 3401 1 8 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.136 1.908 17805 3402 1 8 . 1 1 55 55 ALA H H 55 8.114 8.114 8.176 -0.062 17805 3403 1 8 . 1 1 56 56 GLU N N 56 122.313 122.313 121.544 0.769 17805 3404 1 8 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.090 0.125 17805 3405 1 8 . 1 1 56 56 GLU C C 56 176.924 176.924 177.768 -0.844 17805 3406 1 8 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.249 -0.160 17805 3407 1 8 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.686 0.400 17805 3408 1 8 . 1 1 56 56 GLU H H 56 8.179 8.179 8.369 -0.190 17805 3409 1 8 . 1 1 57 57 ASN N N 57 115.140 115.140 121.156 -6.016 17805 3410 1 8 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.391 -0.162 17805 3411 1 8 . 1 1 57 57 ASN C C 57 177.457 177.457 176.676 0.781 17805 3412 1 8 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.345 -1.146 17805 3413 1 8 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.428 0.799 17805 3414 1 8 . 1 1 57 57 ASN H H 57 8.504 8.504 8.874 -0.370 17805 3415 1 8 . 1 1 58 58 ASP N N 58 112.832 112.832 116.217 -3.385 17805 3416 1 8 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.571 -0.083 17805 3417 1 8 . 1 1 58 58 ASP C C 58 177.255 177.255 175.978 1.277 17805 3418 1 8 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.143 -0.535 17805 3419 1 8 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.997 -0.693 17805 3420 1 8 . 1 1 58 58 ASP H H 58 8.198 8.198 8.355 -0.157 17805 3421 1 8 . 1 1 59 59 VAL N N 59 122.073 122.073 120.896 1.177 17805 3422 1 8 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.035 -0.442 17805 3423 1 8 . 1 1 59 59 VAL C C 59 177.321 177.321 175.423 1.898 17805 3424 1 8 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.437 2.403 17805 3425 1 8 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.873 -0.551 17805 3426 1 8 . 1 1 59 59 VAL H H 59 7.353 7.353 7.810 -0.457 17805 3427 1 8 . 1 1 60 60 LYS N N 60 125.064 125.064 126.327 -1.263 17805 3428 1 8 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.181 0.266 17805 3429 1 8 . 1 1 60 60 LYS C C 60 174.649 174.649 177.271 -2.622 17805 3430 1 8 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.680 -0.495 17805 3431 1 8 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.945 0.160 17805 3432 1 8 . 1 1 60 60 LYS H H 60 8.339 8.339 8.244 0.095 17805 3433 1 8 . 1 1 61 61 LEU N N 61 121.612 121.612 121.315 0.297 17805 3434 1 8 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.238 -0.462 17805 3435 1 8 . 1 1 61 61 LEU C C 61 171.906 171.906 179.012 -7.106 17805 3436 1 8 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.993 0.994 17805 3437 1 8 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.980 -0.148 17805 3438 1 8 . 1 1 61 61 LEU H H 61 9.423 9.423 8.495 0.928 17805 3439 1 8 . 1 1 62 62 GLY N N 62 104.008 104.008 105.129 -1.121 17805 3440 1 8 . 1 1 62 62 GLY C C 62 177.869 177.869 175.051 2.818 17805 3441 1 8 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.822 -0.050 17805 3442 1 8 . 1 1 62 62 GLY H H 62 9.107 9.107 7.619 1.488 17805 3443 1 8 . 1 1 63 63 ALA N N 63 122.025 122.025 123.308 -1.283 17805 3444 1 8 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.213 0.060 17805 3445 1 8 . 1 1 63 63 ALA C C 63 174.499 174.499 178.320 -3.821 17805 3446 1 8 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.310 -0.889 17805 3447 1 8 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.800 0.016 17805 3448 1 8 . 1 1 63 63 ALA H H 63 7.755 7.755 8.026 -0.271 17805 3449 1 8 . 1 1 64 64 LEU N N 64 115.454 115.454 113.850 1.604 17805 3450 1 8 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.536 -0.468 17805 3451 1 8 . 1 1 64 64 LEU C C 64 177.197 177.197 177.682 -0.485 17805 3452 1 8 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.314 0.253 17805 3453 1 8 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.322 -0.186 17805 3454 1 8 . 1 1 64 64 LEU H H 64 7.214 7.214 7.506 -0.292 17805 3455 1 8 . 1 1 65 65 LYS N N 65 114.830 114.830 118.506 -3.676 17805 3456 1 8 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.064 -0.226 17805 3457 1 8 . 1 1 65 65 LYS C C 65 177.061 177.061 176.936 0.125 17805 3458 1 8 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.545 -1.808 17805 3459 1 8 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.063 -3.756 17805 3460 1 8 . 1 1 65 65 LYS H H 65 7.642 7.642 8.012 -0.370 17805 3461 1 8 . 1 1 66 66 LEU N N 66 119.305 119.305 111.469 7.836 17805 3462 1 8 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.550 -0.387 17805 3463 1 8 . 1 1 66 66 LEU C C 66 175.393 175.393 175.744 -0.351 17805 3464 1 8 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.457 0.390 17805 3465 1 8 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.813 -0.101 17805 3466 1 8 . 1 1 66 66 LEU H H 66 8.516 8.516 7.474 1.042 17805 3467 1 8 . 1 1 67 67 LYS N N 67 121.480 121.480 120.465 1.015 17805 3468 1 8 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.478 0.019 17805 3469 1 8 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.127 -1.975 17805 3470 1 8 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.733 0.266 17805 3471 1 8 . 1 1 67 67 LYS H H 67 7.955 7.955 8.390 -0.435 17805 3472 1 8 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.393 -0.224 17805 3473 1 8 . 1 1 68 68 PRO C C 68 176.609 176.609 177.930 -1.321 17805 3474 1 8 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.612 -1.223 17805 3475 1 8 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.075 0.139 17805 3476 1 8 . 1 1 69 69 ASN N N 69 115.414 115.414 116.628 -1.214 17805 3477 1 8 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.445 -0.483 17805 3478 1 8 . 1 1 69 69 ASN C C 69 178.824 178.824 175.383 3.441 17805 3479 1 8 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.923 0.098 17805 3480 1 8 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.886 -0.839 17805 3481 1 8 . 1 1 69 69 ASN H H 69 8.966 8.966 8.341 0.625 17805 3482 1 8 . 1 1 70 70 THR N N 70 115.426 115.426 113.725 1.701 17805 3483 1 8 . 1 1 70 70 THR HA H 70 3.949 3.949 4.388 -0.439 17805 3484 1 8 . 1 1 70 70 THR C C 70 180.592 180.592 174.264 6.328 17805 3485 1 8 . 1 1 70 70 THR CA C 70 65.247 65.247 62.777 2.470 17805 3486 1 8 . 1 1 70 70 THR CB C 70 70.132 70.132 70.148 -0.016 17805 3487 1 8 . 1 1 70 70 THR H H 70 7.712 7.712 7.612 0.100 17805 3488 1 8 . 1 1 71 71 LYS N N 71 124.603 124.603 123.729 0.874 17805 3489 1 8 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.949 0.230 17805 3490 1 8 . 1 1 71 71 LYS C C 71 177.157 177.157 176.017 1.140 17805 3491 1 8 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.803 0.536 17805 3492 1 8 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.187 -0.458 17805 3493 1 8 . 1 1 71 71 LYS H H 71 8.284 8.284 8.302 -0.018 17805 3494 1 8 . 1 1 72 72 ILE N N 72 123.505 123.505 119.358 4.147 17805 3495 1 8 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.517 -0.006 17805 3496 1 8 . 1 1 72 72 ILE C C 72 178.360 178.360 174.769 3.591 17805 3497 1 8 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.449 0.187 17805 3498 1 8 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.865 -0.038 17805 3499 1 8 . 1 1 72 72 ILE H H 72 9.142 9.142 8.874 0.268 17805 3500 1 8 . 1 1 73 73 MET N N 73 123.090 123.090 120.981 2.109 17805 3501 1 8 . 1 1 73 73 MET HA H 73 5.122 5.122 4.924 0.198 17805 3502 1 8 . 1 1 73 73 MET C C 73 179.095 179.095 175.287 3.808 17805 3503 1 8 . 1 1 73 73 MET CA C 73 54.949 54.949 54.946 0.003 17805 3504 1 8 . 1 1 73 73 MET CB C 73 35.143 35.143 35.705 -0.562 17805 3505 1 8 . 1 1 73 73 MET H H 73 8.556 8.556 8.783 -0.227 17805 3506 1 8 . 1 1 74 74 MET N N 74 124.481 124.481 122.256 2.225 17805 3507 1 8 . 1 1 74 74 MET HA H 74 5.288 5.288 4.719 0.569 17805 3508 1 8 . 1 1 74 74 MET C C 74 178.476 178.476 175.376 3.100 17805 3509 1 8 . 1 1 74 74 MET CA C 74 54.862 54.862 55.260 -0.398 17805 3510 1 8 . 1 1 74 74 MET CB C 74 36.294 36.294 33.897 2.397 17805 3511 1 8 . 1 1 74 74 MET H H 74 8.924 8.924 8.941 -0.017 17805 3512 1 8 . 1 1 75 75 MET N N 75 123.963 123.963 124.893 -0.930 17805 3513 1 8 . 1 1 75 75 MET HA H 75 5.093 5.093 4.849 0.244 17805 3514 1 8 . 1 1 75 75 MET C C 75 177.842 177.842 175.003 2.839 17805 3515 1 8 . 1 1 75 75 MET CA C 75 54.265 54.265 54.520 -0.255 17805 3516 1 8 . 1 1 75 75 MET CB C 75 35.566 35.566 33.015 2.551 17805 3517 1 8 . 1 1 75 75 MET H H 75 9.112 9.112 8.095 1.017 17805 3518 1 8 . 1 1 76 76 GLY N N 76 109.773 109.773 111.513 -1.740 17805 3519 1 8 . 1 1 76 76 GLY C C 76 180.165 180.165 172.748 7.417 17805 3520 1 8 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.038 0.863 17805 3521 1 8 . 1 1 76 76 GLY H H 76 8.711 8.711 8.408 0.303 17805 3522 1 8 . 1 1 77 77 THR N N 77 113.345 113.345 114.506 -1.161 17805 3523 1 8 . 1 1 77 77 THR HA H 77 4.787 4.787 4.693 0.094 17805 3524 1 8 . 1 1 77 77 THR C C 77 178.955 178.955 174.229 4.726 17805 3525 1 8 . 1 1 77 77 THR CA C 77 60.728 60.728 60.372 0.356 17805 3526 1 8 . 1 1 77 77 THR CB C 77 71.481 71.481 71.040 0.441 17805 3527 1 8 . 1 1 77 77 THR H H 77 8.280 8.280 8.225 0.055 17805 3528 1 8 . 1 1 78 78 ARG N N 78 122.844 122.844 122.965 -0.121 17805 3529 1 8 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.210 -0.062 17805 3530 1 8 . 1 1 78 78 ARG C C 78 177.011 177.011 175.605 1.406 17805 3531 1 8 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.848 0.033 17805 3532 1 8 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.596 1.011 17805 3533 1 8 . 1 1 78 78 ARG H H 78 8.852 8.852 8.561 0.291 17805 3534 1 8 . 1 1 79 79 GLU N N 79 122.181 122.181 119.715 2.466 17805 3535 1 8 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.527 -0.321 17805 3536 1 8 . 1 1 79 79 GLU C C 79 176.784 176.784 174.992 1.792 17805 3537 1 8 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.119 1.888 17805 3538 1 8 . 1 1 79 79 GLU CB C 79 30.764 30.764 31.722 -0.958 17805 3539 1 8 . 1 1 79 79 GLU H H 79 8.300 8.300 8.603 -0.303 17805 3540 1 8 . 1 1 80 80 GLU N N 80 126.965 126.965 120.710 6.255 17805 3541 1 8 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.536 -0.487 17805 3542 1 8 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.901 2.427 17805 3543 1 8 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.867 1.420 17805 3544 1 8 . 1 1 80 80 GLU H H 80 8.015 8.015 8.670 -0.655 17805 3545 1 9 . 1 1 2 2 ALA N N 2 126.014 126.014 123.532 2.482 17805 3546 1 9 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.483 -0.450 17805 3547 1 9 . 1 1 2 2 ALA C C 2 176.202 176.202 175.892 0.310 17805 3548 1 9 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.283 1.932 17805 3549 1 9 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.916 -0.540 17805 3550 1 9 . 1 1 2 2 ALA H H 2 8.410 8.410 8.307 0.103 17805 3551 1 9 . 1 1 3 3 LEU N N 3 123.255 123.255 123.003 0.252 17805 3552 1 9 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.744 -0.098 17805 3553 1 9 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.840 -0.023 17805 3554 1 9 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.305 0.252 17805 3555 1 9 . 1 1 3 3 LEU H H 3 8.271 8.271 8.192 0.079 17805 3556 1 9 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.752 -0.146 17805 3557 1 9 . 1 1 4 4 PRO C C 4 179.796 179.796 175.641 4.155 17805 3558 1 9 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.218 1.022 17805 3559 1 9 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.825 -0.755 17805 3560 1 9 . 1 1 5 5 ILE N N 5 122.161 122.161 118.533 3.628 17805 3561 1 9 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.715 -0.356 17805 3562 1 9 . 1 1 5 5 ILE C C 5 179.202 179.202 175.434 3.768 17805 3563 1 9 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.830 1.003 17805 3564 1 9 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.351 1.592 17805 3565 1 9 . 1 1 5 5 ILE H H 5 8.317 8.317 7.825 0.492 17805 3566 1 9 . 1 1 6 6 ILE N N 6 125.649 125.649 128.281 -2.632 17805 3567 1 9 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.409 0.512 17805 3568 1 9 . 1 1 6 6 ILE C C 6 178.393 178.393 174.944 3.449 17805 3569 1 9 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.137 -1.272 17805 3570 1 9 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.408 0.856 17805 3571 1 9 . 1 1 6 6 ILE H H 6 8.408 8.408 8.123 0.285 17805 3572 1 9 . 1 1 7 7 VAL N N 7 125.741 125.741 127.461 -1.720 17805 3573 1 9 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.712 0.218 17805 3574 1 9 . 1 1 7 7 VAL C C 7 178.215 178.215 174.942 3.273 17805 3575 1 9 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.126 0.237 17805 3576 1 9 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.032 0.727 17805 3577 1 9 . 1 1 7 7 VAL H H 7 9.155 9.155 8.974 0.181 17805 3578 1 9 . 1 1 8 8 LYS N N 8 128.098 128.098 125.865 2.233 17805 3579 1 9 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.433 -0.201 17805 3580 1 9 . 1 1 8 8 LYS C C 8 178.353 178.353 174.383 3.970 17805 3581 1 9 . 1 1 8 8 LYS CA C 8 55.275 55.275 55.168 0.107 17805 3582 1 9 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.394 -0.459 17805 3583 1 9 . 1 1 8 8 LYS H H 8 9.174 9.174 8.885 0.289 17805 3584 1 9 . 1 1 9 9 TRP N N 9 125.952 125.952 128.249 -2.297 17805 3585 1 9 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.082 0.103 17805 3586 1 9 . 1 1 9 9 TRP C C 9 176.432 176.432 175.825 0.607 17805 3587 1 9 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.352 1.382 17805 3588 1 9 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.014 -1.453 17805 3589 1 9 . 1 1 9 9 TRP H H 9 8.844 8.844 8.951 -0.107 17805 3590 1 9 . 1 1 10 10 GLY N N 10 117.044 117.044 115.486 1.558 17805 3591 1 9 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.549 1.552 17805 3592 1 9 . 1 1 10 10 GLY H H 10 8.683 8.683 8.931 -0.248 17805 3593 1 9 . 1 1 11 11 GLY N N 11 109.364 109.364 105.490 3.874 17805 3594 1 9 . 1 1 11 11 GLY C C 11 179.353 179.353 174.945 4.408 17805 3595 1 9 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.023 0.437 17805 3596 1 9 . 1 1 11 11 GLY H H 11 8.600 8.600 8.347 0.253 17805 3597 1 9 . 1 1 12 12 GLN N N 12 119.388 119.388 120.509 -1.121 17805 3598 1 9 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.274 0.209 17805 3599 1 9 . 1 1 12 12 GLN C C 12 179.098 179.098 174.946 4.152 17805 3600 1 9 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.760 -0.258 17805 3601 1 9 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.801 2.377 17805 3602 1 9 . 1 1 12 12 GLN H H 12 7.865 7.865 7.909 -0.044 17805 3603 1 9 . 1 1 13 13 GLU N N 13 119.756 119.756 121.294 -1.538 17805 3604 1 9 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.248 -0.368 17805 3605 1 9 . 1 1 13 13 GLU C C 13 177.641 177.641 175.464 2.177 17805 3606 1 9 . 1 1 13 13 GLU CA C 13 55.655 55.655 54.843 0.812 17805 3607 1 9 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.132 0.174 17805 3608 1 9 . 1 1 13 13 GLU H H 13 8.172 8.172 8.214 -0.042 17805 3609 1 9 . 1 1 14 14 TYR N N 14 122.812 122.812 124.840 -2.028 17805 3610 1 9 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.862 -0.261 17805 3611 1 9 . 1 1 14 14 TYR C C 14 177.990 177.990 174.943 3.047 17805 3612 1 9 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.698 0.548 17805 3613 1 9 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.719 -0.175 17805 3614 1 9 . 1 1 14 14 TYR H H 14 9.381 9.381 8.915 0.466 17805 3615 1 9 . 1 1 15 15 SER N N 15 118.339 118.339 118.675 -0.336 17805 3616 1 9 . 1 1 15 15 SER HA H 15 4.747 4.747 5.420 -0.673 17805 3617 1 9 . 1 1 15 15 SER C C 15 178.924 178.924 173.682 5.242 17805 3618 1 9 . 1 1 15 15 SER CA C 15 58.099 58.099 57.231 0.868 17805 3619 1 9 . 1 1 15 15 SER CB C 15 63.394 63.394 64.892 -1.498 17805 3620 1 9 . 1 1 15 15 SER H H 15 8.802 8.802 8.637 0.165 17805 3621 1 9 . 1 1 16 16 VAL N N 16 128.611 128.611 121.642 6.969 17805 3622 1 9 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.471 -0.266 17805 3623 1 9 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.357 1.987 17805 3624 1 9 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.979 -2.451 17805 3625 1 9 . 1 1 16 16 VAL H H 16 9.005 9.005 8.548 0.457 17805 3626 1 9 . 1 1 17 17 THR N N 17 116.170 116.170 114.166 2.004 17805 3627 1 9 . 1 1 17 17 THR HA H 17 4.533 4.533 4.530 0.003 17805 3628 1 9 . 1 1 17 17 THR C C 17 177.649 177.649 173.850 3.799 17805 3629 1 9 . 1 1 17 17 THR CA C 17 62.331 62.331 62.362 -0.031 17805 3630 1 9 . 1 1 17 17 THR CB C 17 70.040 70.040 68.740 1.300 17805 3631 1 9 . 1 1 17 17 THR H H 17 8.746 8.746 8.392 0.354 17805 3632 1 9 . 1 1 18 18 THR N N 18 107.517 107.517 113.911 -6.394 17805 3633 1 9 . 1 1 18 18 THR HA H 18 4.173 4.173 4.260 -0.087 17805 3634 1 9 . 1 1 18 18 THR C C 18 178.498 178.498 173.597 4.901 17805 3635 1 9 . 1 1 18 18 THR CA C 18 61.772 61.772 62.224 -0.452 17805 3636 1 9 . 1 1 18 18 THR CB C 18 69.121 69.121 68.910 0.211 17805 3637 1 9 . 1 1 18 18 THR H H 18 6.812 6.812 8.107 -1.295 17805 3638 1 9 . 1 1 19 19 LEU N N 19 123.019 123.019 117.674 5.345 17805 3639 1 9 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.782 -0.199 17805 3640 1 9 . 1 1 19 19 LEU C C 19 177.299 177.299 174.663 2.636 17805 3641 1 9 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.627 1.553 17805 3642 1 9 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.922 -2.211 17805 3643 1 9 . 1 1 19 19 LEU H H 19 8.388 8.388 7.340 1.048 17805 3644 1 9 . 1 1 20 20 SER N N 20 117.870 117.870 112.943 4.927 17805 3645 1 9 . 1 1 20 20 SER HA H 20 4.863 4.863 5.110 -0.247 17805 3646 1 9 . 1 1 20 20 SER C C 20 177.249 177.249 175.543 1.706 17805 3647 1 9 . 1 1 20 20 SER CA C 20 56.832 56.832 56.236 0.596 17805 3648 1 9 . 1 1 20 20 SER CB C 20 67.845 67.845 66.367 1.478 17805 3649 1 9 . 1 1 20 20 SER H H 20 9.714 9.714 8.128 1.586 17805 3650 1 9 . 1 1 21 21 GLU N N 21 116.130 116.130 122.292 -6.162 17805 3651 1 9 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.920 -0.180 17805 3652 1 9 . 1 1 21 21 GLU C C 21 176.555 176.555 176.616 -0.061 17805 3653 1 9 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.491 -0.357 17805 3654 1 9 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.247 1.607 17805 3655 1 9 . 1 1 21 21 GLU H H 21 8.491 8.491 8.944 -0.453 17805 3656 1 9 . 1 1 22 22 ASP N N 22 115.741 115.741 115.946 -0.205 17805 3657 1 9 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.518 0.132 17805 3658 1 9 . 1 1 22 22 ASP C C 22 176.555 176.555 176.319 0.236 17805 3659 1 9 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.029 0.127 17805 3660 1 9 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.634 1.945 17805 3661 1 9 . 1 1 22 22 ASP H H 22 7.936 7.936 7.682 0.254 17805 3662 1 9 . 1 1 23 23 ASP N N 23 119.945 119.945 120.029 -0.084 17805 3663 1 9 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.618 0.223 17805 3664 1 9 . 1 1 23 23 ASP C C 23 178.264 178.264 175.671 2.593 17805 3665 1 9 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.130 -0.907 17805 3666 1 9 . 1 1 23 23 ASP CB C 23 42.782 42.782 43.159 -0.377 17805 3667 1 9 . 1 1 23 23 ASP H H 23 7.313 7.313 8.211 -0.898 17805 3668 1 9 . 1 1 24 24 THR N N 24 107.918 107.918 106.358 1.560 17805 3669 1 9 . 1 1 24 24 THR HA H 24 5.328 5.328 4.572 0.756 17805 3670 1 9 . 1 1 24 24 THR C C 24 176.363 176.363 174.168 2.195 17805 3671 1 9 . 1 1 24 24 THR CA C 24 60.989 60.989 61.589 -0.600 17805 3672 1 9 . 1 1 24 24 THR CB C 24 74.287 74.287 71.079 3.208 17805 3673 1 9 . 1 1 24 24 THR H H 24 9.630 9.630 7.456 2.174 17805 3674 1 9 . 1 1 25 25 VAL N N 25 120.192 120.192 123.423 -3.231 17805 3675 1 9 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.624 -0.290 17805 3676 1 9 . 1 1 25 25 VAL C C 25 175.092 175.092 177.190 -2.098 17805 3677 1 9 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.359 0.267 17805 3678 1 9 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.068 0.081 17805 3679 1 9 . 1 1 25 25 VAL H H 25 8.260 8.260 8.928 -0.668 17805 3680 1 9 . 1 1 26 26 LEU N N 26 119.941 119.941 118.749 1.192 17805 3681 1 9 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.120 -0.248 17805 3682 1 9 . 1 1 26 26 LEU C C 26 174.996 174.996 178.462 -3.466 17805 3683 1 9 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.695 0.897 17805 3684 1 9 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.427 0.289 17805 3685 1 9 . 1 1 26 26 LEU H H 26 8.523 8.523 8.107 0.416 17805 3686 1 9 . 1 1 27 27 ASP N N 27 118.322 118.322 119.976 -1.654 17805 3687 1 9 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.441 -0.168 17805 3688 1 9 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.100 1.563 17805 3689 1 9 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.088 -0.157 17805 3690 1 9 . 1 1 27 27 ASP H H 27 7.581 7.581 8.085 -0.504 17805 3691 1 9 . 1 1 28 28 LEU N N 28 122.021 122.021 121.406 0.615 17805 3692 1 9 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.195 -0.112 17805 3693 1 9 . 1 1 28 28 LEU C C 28 175.514 175.514 178.665 -3.151 17805 3694 1 9 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.661 1.111 17805 3695 1 9 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.283 -1.058 17805 3696 1 9 . 1 1 28 28 LEU H H 28 7.837 7.837 7.876 -0.039 17805 3697 1 9 . 1 1 29 29 LYS N N 29 119.086 119.086 118.726 0.360 17805 3698 1 9 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.924 0.596 17805 3699 1 9 . 1 1 29 29 LYS C C 29 172.261 172.261 178.779 -6.518 17805 3700 1 9 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.916 -0.129 17805 3701 1 9 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.761 2.536 17805 3702 1 9 . 1 1 29 29 LYS H H 29 8.467 8.467 8.710 -0.243 17805 3703 1 9 . 1 1 30 30 GLN N N 30 119.268 119.268 118.299 0.969 17805 3704 1 9 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.037 -0.105 17805 3705 1 9 . 1 1 30 30 GLN C C 30 174.240 174.240 178.409 -4.169 17805 3706 1 9 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.496 1.167 17805 3707 1 9 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.029 -0.223 17805 3708 1 9 . 1 1 30 30 GLN H H 30 9.049 9.049 7.840 1.209 17805 3709 1 9 . 1 1 31 31 PHE N N 31 121.690 121.690 120.863 0.827 17805 3710 1 9 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.222 -0.004 17805 3711 1 9 . 1 1 31 31 PHE C C 31 173.970 173.970 177.530 -3.560 17805 3712 1 9 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.109 0.858 17805 3713 1 9 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.422 -0.049 17805 3714 1 9 . 1 1 31 31 PHE H H 31 8.039 8.039 7.778 0.261 17805 3715 1 9 . 1 1 32 32 LEU N N 32 118.232 118.232 117.283 0.949 17805 3716 1 9 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.977 -0.340 17805 3717 1 9 . 1 1 32 32 LEU C C 32 172.367 172.367 178.315 -5.948 17805 3718 1 9 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.027 -0.319 17805 3719 1 9 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.983 0.287 17805 3720 1 9 . 1 1 32 32 LEU H H 32 8.776 8.776 8.467 0.309 17805 3721 1 9 . 1 1 33 33 LYS N N 33 125.920 125.920 119.376 6.544 17805 3722 1 9 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.071 -0.269 17805 3723 1 9 . 1 1 33 33 LYS C C 33 173.820 173.820 178.646 -4.826 17805 3724 1 9 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.450 1.665 17805 3725 1 9 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.220 0.482 17805 3726 1 9 . 1 1 33 33 LYS H H 33 8.237 8.237 8.511 -0.274 17805 3727 1 9 . 1 1 34 34 THR N N 34 114.544 114.544 114.161 0.383 17805 3728 1 9 . 1 1 34 34 THR HA H 34 3.773 3.773 4.041 -0.268 17805 3729 1 9 . 1 1 34 34 THR C C 34 177.649 177.649 175.755 1.894 17805 3730 1 9 . 1 1 34 34 THR CA C 34 65.749 65.749 64.331 1.418 17805 3731 1 9 . 1 1 34 34 THR CB C 34 68.620 68.620 68.410 0.210 17805 3732 1 9 . 1 1 34 34 THR H H 34 7.281 7.281 7.490 -0.209 17805 3733 1 9 . 1 1 35 35 LEU N N 35 117.590 117.590 117.901 -0.311 17805 3734 1 9 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.310 -0.292 17805 3735 1 9 . 1 1 35 35 LEU C C 35 175.105 175.105 177.378 -2.273 17805 3736 1 9 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.699 1.316 17805 3737 1 9 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.301 1.702 17805 3738 1 9 . 1 1 35 35 LEU H H 35 6.752 6.752 7.239 -0.487 17805 3739 1 9 . 1 1 36 36 THR N N 36 104.865 104.865 107.413 -2.548 17805 3740 1 9 . 1 1 36 36 THR HA H 36 3.967 3.967 4.234 -0.267 17805 3741 1 9 . 1 1 36 36 THR C C 36 178.094 178.094 176.182 1.912 17805 3742 1 9 . 1 1 36 36 THR CA C 36 62.756 62.756 63.127 -0.371 17805 3743 1 9 . 1 1 36 36 THR CB C 36 72.343 72.343 70.652 1.691 17805 3744 1 9 . 1 1 36 36 THR H H 36 7.675 7.675 7.755 -0.080 17805 3745 1 9 . 1 1 37 37 GLY N N 37 109.795 109.795 111.188 -1.393 17805 3746 1 9 . 1 1 37 37 GLY C C 37 179.368 179.368 173.271 6.097 17805 3747 1 9 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.996 -0.437 17805 3748 1 9 . 1 1 37 37 GLY H H 37 7.971 7.971 8.547 -0.576 17805 3749 1 9 . 1 1 38 38 VAL N N 38 122.557 122.557 122.010 0.547 17805 3750 1 9 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.290 -0.652 17805 3751 1 9 . 1 1 38 38 VAL C C 38 177.289 177.289 174.290 2.999 17805 3752 1 9 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.524 1.913 17805 3753 1 9 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.744 -2.354 17805 3754 1 9 . 1 1 38 38 VAL H H 38 7.533 7.533 7.102 0.431 17805 3755 1 9 . 1 1 39 39 LEU N N 39 127.828 127.828 123.397 4.431 17805 3756 1 9 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.829 -0.835 17805 3757 1 9 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.067 3.370 17805 3758 1 9 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.033 0.524 17805 3759 1 9 . 1 1 39 39 LEU H H 39 8.634 8.634 8.257 0.377 17805 3760 1 9 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.564 -0.725 17805 3761 1 9 . 1 1 40 40 PRO C C 40 174.857 174.857 177.638 -2.781 17805 3762 1 9 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.820 2.169 17805 3763 1 9 . 1 1 40 40 PRO CB C 40 32.322 32.322 32.031 0.291 17805 3764 1 9 . 1 1 41 41 GLU N N 41 114.752 114.752 116.419 -1.667 17805 3765 1 9 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.114 -0.043 17805 3766 1 9 . 1 1 41 41 GLU C C 41 176.350 176.350 177.819 -1.469 17805 3767 1 9 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.236 0.702 17805 3768 1 9 . 1 1 41 41 GLU CB C 41 28.824 28.824 28.701 0.123 17805 3769 1 9 . 1 1 41 41 GLU H H 41 9.746 9.746 8.692 1.054 17805 3770 1 9 . 1 1 42 42 ARG N N 42 118.145 118.145 117.055 1.090 17805 3771 1 9 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.409 -0.094 17805 3772 1 9 . 1 1 42 42 ARG C C 42 177.731 177.731 176.161 1.570 17805 3773 1 9 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.565 -1.117 17805 3774 1 9 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.817 -0.712 17805 3775 1 9 . 1 1 42 42 ARG H H 42 7.938 7.938 7.398 0.540 17805 3776 1 9 . 1 1 43 43 GLN N N 43 118.250 118.250 117.833 0.417 17805 3777 1 9 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.734 -0.483 17805 3778 1 9 . 1 1 43 43 GLN C C 43 176.186 176.186 174.290 1.896 17805 3779 1 9 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.564 1.973 17805 3780 1 9 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.186 -1.194 17805 3781 1 9 . 1 1 43 43 GLN H H 43 7.034 7.034 7.459 -0.425 17805 3782 1 9 . 1 1 44 44 LYS N N 44 122.693 122.693 122.175 0.518 17805 3783 1 9 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.640 -0.176 17805 3784 1 9 . 1 1 44 44 LYS C C 44 178.040 178.040 175.052 2.988 17805 3785 1 9 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.953 0.599 17805 3786 1 9 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.031 0.294 17805 3787 1 9 . 1 1 44 44 LYS H H 44 8.806 8.806 8.077 0.729 17805 3788 1 9 . 1 1 45 45 LEU N N 45 124.806 124.806 125.789 -0.983 17805 3789 1 9 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.737 0.206 17805 3790 1 9 . 1 1 45 45 LEU C C 45 176.506 176.506 178.094 -1.588 17805 3791 1 9 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.177 -0.635 17805 3792 1 9 . 1 1 45 45 LEU CB C 45 41.821 41.821 41.489 0.332 17805 3793 1 9 . 1 1 45 45 LEU H H 45 8.704 8.704 8.842 -0.138 17805 3794 1 9 . 1 1 46 46 LEU N N 46 124.709 124.709 125.592 -0.883 17805 3795 1 9 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.031 0.327 17805 3796 1 9 . 1 1 46 46 LEU C C 46 175.289 175.289 177.263 -1.974 17805 3797 1 9 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.710 -0.951 17805 3798 1 9 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.431 0.095 17805 3799 1 9 . 1 1 46 46 LEU H H 46 8.751 8.751 8.050 0.701 17805 3800 1 9 . 1 1 47 47 GLY N N 47 109.276 109.276 110.696 -1.420 17805 3801 1 9 . 1 1 47 47 GLY C C 47 179.057 179.057 172.845 6.212 17805 3802 1 9 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.215 0.345 17805 3803 1 9 . 1 1 47 47 GLY H H 47 8.300 8.300 8.629 -0.329 17805 3804 1 9 . 1 1 48 48 LEU N N 48 119.707 119.707 121.798 -2.091 17805 3805 1 9 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.564 0.026 17805 3806 1 9 . 1 1 48 48 LEU C C 48 177.598 177.598 174.899 2.699 17805 3807 1 9 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.323 0.622 17805 3808 1 9 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.279 -4.865 17805 3809 1 9 . 1 1 48 48 LEU H H 48 7.581 7.581 8.041 -0.460 17805 3810 1 9 . 1 1 49 49 LYS N N 49 124.527 124.527 121.630 2.897 17805 3811 1 9 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.681 0.171 17805 3812 1 9 . 1 1 49 49 LYS C C 49 178.059 178.059 175.489 2.570 17805 3813 1 9 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.987 0.676 17805 3814 1 9 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.282 4.300 17805 3815 1 9 . 1 1 49 49 LYS H H 49 8.606 8.606 8.240 0.366 17805 3816 1 9 . 1 1 50 50 VAL N N 50 119.184 119.184 124.512 -5.328 17805 3817 1 9 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.300 -0.187 17805 3818 1 9 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.081 1.784 17805 3819 1 9 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.890 0.844 17805 3820 1 9 . 1 1 50 50 VAL H H 50 8.799 8.799 8.353 0.446 17805 3821 1 9 . 1 1 51 51 LYS N N 51 127.069 127.069 127.439 -0.370 17805 3822 1 9 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.979 -0.155 17805 3823 1 9 . 1 1 51 51 LYS C C 51 176.418 176.418 176.510 -0.092 17805 3824 1 9 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.031 0.377 17805 3825 1 9 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.810 0.845 17805 3826 1 9 . 1 1 51 51 LYS H H 51 9.451 9.451 9.198 0.253 17805 3827 1 9 . 1 1 52 52 GLY N N 52 102.671 102.671 103.730 -1.059 17805 3828 1 9 . 1 1 52 52 GLY C C 52 179.392 179.392 174.544 4.848 17805 3829 1 9 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.311 0.499 17805 3830 1 9 . 1 1 52 52 GLY H H 52 8.512 8.512 8.491 0.021 17805 3831 1 9 . 1 1 53 53 LYS N N 53 121.307 121.307 120.699 0.608 17805 3832 1 9 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.733 0.096 17805 3833 1 9 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.016 0.600 17805 3834 1 9 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.599 0.341 17805 3835 1 9 . 1 1 53 53 LYS H H 53 7.781 7.781 7.885 -0.104 17805 3836 1 9 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.384 -0.008 17805 3837 1 9 . 1 1 54 54 PRO C C 54 175.954 175.954 175.980 -0.026 17805 3838 1 9 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.814 1.003 17805 3839 1 9 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.869 2.283 17805 3840 1 9 . 1 1 55 55 ALA N N 55 125.654 125.654 122.884 2.770 17805 3841 1 9 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.911 0.227 17805 3842 1 9 . 1 1 55 55 ALA C C 55 175.977 175.977 176.852 -0.875 17805 3843 1 9 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.566 0.098 17805 3844 1 9 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.242 1.802 17805 3845 1 9 . 1 1 55 55 ALA H H 55 8.114 8.114 8.199 -0.085 17805 3846 1 9 . 1 1 56 56 GLU N N 56 122.313 122.313 121.189 1.124 17805 3847 1 9 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.049 0.166 17805 3848 1 9 . 1 1 56 56 GLU C C 56 176.924 176.924 177.824 -0.900 17805 3849 1 9 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.612 -0.523 17805 3850 1 9 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.471 0.615 17805 3851 1 9 . 1 1 56 56 GLU H H 56 8.179 8.179 8.387 -0.208 17805 3852 1 9 . 1 1 57 57 ASN N N 57 115.140 115.140 119.399 -4.259 17805 3853 1 9 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.449 -0.220 17805 3854 1 9 . 1 1 57 57 ASN C C 57 177.457 177.457 176.789 0.668 17805 3855 1 9 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.057 -0.858 17805 3856 1 9 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.155 1.072 17805 3857 1 9 . 1 1 57 57 ASN H H 57 8.504 8.504 8.828 -0.324 17805 3858 1 9 . 1 1 58 58 ASP N N 58 112.832 112.832 117.210 -4.378 17805 3859 1 9 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.542 -0.054 17805 3860 1 9 . 1 1 58 58 ASP C C 58 177.255 177.255 175.882 1.373 17805 3861 1 9 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.445 -0.837 17805 3862 1 9 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.809 -0.504 17805 3863 1 9 . 1 1 58 58 ASP H H 58 8.198 8.198 8.431 -0.233 17805 3864 1 9 . 1 1 59 59 VAL N N 59 122.073 122.073 120.668 1.405 17805 3865 1 9 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.927 -0.334 17805 3866 1 9 . 1 1 59 59 VAL C C 59 177.321 177.321 175.800 1.521 17805 3867 1 9 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.065 0.776 17805 3868 1 9 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.461 -0.139 17805 3869 1 9 . 1 1 59 59 VAL H H 59 7.353 7.353 7.251 0.102 17805 3870 1 9 . 1 1 60 60 LYS N N 60 125.064 125.064 126.354 -1.290 17805 3871 1 9 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.141 0.306 17805 3872 1 9 . 1 1 60 60 LYS C C 60 174.649 174.649 177.114 -2.465 17805 3873 1 9 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.702 -0.517 17805 3874 1 9 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.708 0.397 17805 3875 1 9 . 1 1 60 60 LYS H H 60 8.339 8.339 8.344 -0.005 17805 3876 1 9 . 1 1 61 61 LEU N N 61 121.612 121.612 121.352 0.260 17805 3877 1 9 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.221 -0.445 17805 3878 1 9 . 1 1 61 61 LEU C C 61 171.906 171.906 179.099 -7.193 17805 3879 1 9 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.998 0.989 17805 3880 1 9 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.937 -0.105 17805 3881 1 9 . 1 1 61 61 LEU H H 61 9.423 9.423 8.465 0.958 17805 3882 1 9 . 1 1 62 62 GLY N N 62 104.008 104.008 105.085 -1.077 17805 3883 1 9 . 1 1 62 62 GLY C C 62 177.869 177.869 175.065 2.804 17805 3884 1 9 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.837 -0.065 17805 3885 1 9 . 1 1 62 62 GLY H H 62 9.107 9.107 7.625 1.482 17805 3886 1 9 . 1 1 63 63 ALA N N 63 122.025 122.025 123.390 -1.365 17805 3887 1 9 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.115 0.158 17805 3888 1 9 . 1 1 63 63 ALA C C 63 174.499 174.499 178.169 -3.670 17805 3889 1 9 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.253 -0.832 17805 3890 1 9 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.851 -0.035 17805 3891 1 9 . 1 1 63 63 ALA H H 63 7.755 7.755 8.073 -0.318 17805 3892 1 9 . 1 1 64 64 LEU N N 64 115.454 115.454 113.849 1.605 17805 3893 1 9 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.536 -0.468 17805 3894 1 9 . 1 1 64 64 LEU C C 64 177.197 177.197 177.629 -0.432 17805 3895 1 9 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.359 0.208 17805 3896 1 9 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.288 -0.152 17805 3897 1 9 . 1 1 64 64 LEU H H 64 7.214 7.214 7.509 -0.295 17805 3898 1 9 . 1 1 65 65 LYS N N 65 114.830 114.830 118.328 -3.498 17805 3899 1 9 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.228 -0.390 17805 3900 1 9 . 1 1 65 65 LYS C C 65 177.061 177.061 176.922 0.139 17805 3901 1 9 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.545 -1.808 17805 3902 1 9 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.027 -3.720 17805 3903 1 9 . 1 1 65 65 LYS H H 65 7.642 7.642 7.910 -0.268 17805 3904 1 9 . 1 1 66 66 LEU N N 66 119.305 119.305 111.166 8.139 17805 3905 1 9 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.550 -0.387 17805 3906 1 9 . 1 1 66 66 LEU C C 66 175.393 175.393 175.805 -0.412 17805 3907 1 9 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.547 0.300 17805 3908 1 9 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.582 0.130 17805 3909 1 9 . 1 1 66 66 LEU H H 66 8.516 8.516 7.488 1.028 17805 3910 1 9 . 1 1 67 67 LYS N N 67 121.480 121.480 120.556 0.924 17805 3911 1 9 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.576 -0.079 17805 3912 1 9 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.988 -1.836 17805 3913 1 9 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.582 0.417 17805 3914 1 9 . 1 1 67 67 LYS H H 67 7.955 7.955 8.392 -0.437 17805 3915 1 9 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.328 -0.159 17805 3916 1 9 . 1 1 68 68 PRO C C 68 176.609 176.609 177.599 -0.990 17805 3917 1 9 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.520 -1.131 17805 3918 1 9 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.136 0.078 17805 3919 1 9 . 1 1 69 69 ASN N N 69 115.414 115.414 115.483 -0.069 17805 3920 1 9 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.458 -0.496 17805 3921 1 9 . 1 1 69 69 ASN C C 69 178.824 178.824 175.711 3.113 17805 3922 1 9 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.614 0.407 17805 3923 1 9 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.480 -0.433 17805 3924 1 9 . 1 1 69 69 ASN H H 69 8.966 8.966 8.553 0.413 17805 3925 1 9 . 1 1 70 70 THR N N 70 115.426 115.426 115.243 0.183 17805 3926 1 9 . 1 1 70 70 THR HA H 70 3.949 3.949 4.362 -0.413 17805 3927 1 9 . 1 1 70 70 THR C C 70 180.592 180.592 174.105 6.487 17805 3928 1 9 . 1 1 70 70 THR CA C 70 65.247 65.247 62.293 2.954 17805 3929 1 9 . 1 1 70 70 THR CB C 70 70.132 70.132 69.820 0.312 17805 3930 1 9 . 1 1 70 70 THR H H 70 7.712 7.712 7.545 0.167 17805 3931 1 9 . 1 1 71 71 LYS N N 71 124.603 124.603 123.489 1.114 17805 3932 1 9 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.868 0.311 17805 3933 1 9 . 1 1 71 71 LYS C C 71 177.157 177.157 175.610 1.547 17805 3934 1 9 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.089 0.251 17805 3935 1 9 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.090 -0.361 17805 3936 1 9 . 1 1 71 71 LYS H H 71 8.284 8.284 8.261 0.023 17805 3937 1 9 . 1 1 72 72 ILE N N 72 123.505 123.505 119.679 3.826 17805 3938 1 9 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.555 -0.044 17805 3939 1 9 . 1 1 72 72 ILE C C 72 178.360 178.360 174.676 3.684 17805 3940 1 9 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.548 0.088 17805 3941 1 9 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.989 -0.162 17805 3942 1 9 . 1 1 72 72 ILE H H 72 9.142 9.142 8.923 0.219 17805 3943 1 9 . 1 1 73 73 MET N N 73 123.090 123.090 121.193 1.897 17805 3944 1 9 . 1 1 73 73 MET HA H 73 5.122 5.122 4.934 0.188 17805 3945 1 9 . 1 1 73 73 MET C C 73 179.095 179.095 175.369 3.726 17805 3946 1 9 . 1 1 73 73 MET CA C 73 54.949 54.949 54.907 0.042 17805 3947 1 9 . 1 1 73 73 MET CB C 73 35.143 35.143 35.398 -0.255 17805 3948 1 9 . 1 1 73 73 MET H H 73 8.556 8.556 8.625 -0.069 17805 3949 1 9 . 1 1 74 74 MET N N 74 124.481 124.481 122.383 2.098 17805 3950 1 9 . 1 1 74 74 MET HA H 74 5.288 5.288 4.751 0.537 17805 3951 1 9 . 1 1 74 74 MET C C 74 178.476 178.476 175.083 3.393 17805 3952 1 9 . 1 1 74 74 MET CA C 74 54.862 54.862 54.950 -0.088 17805 3953 1 9 . 1 1 74 74 MET CB C 74 36.294 36.294 34.319 1.976 17805 3954 1 9 . 1 1 74 74 MET H H 74 8.924 8.924 8.966 -0.042 17805 3955 1 9 . 1 1 75 75 MET N N 75 123.963 123.963 124.738 -0.775 17805 3956 1 9 . 1 1 75 75 MET HA H 75 5.093 5.093 4.851 0.242 17805 3957 1 9 . 1 1 75 75 MET C C 75 177.842 177.842 175.041 2.801 17805 3958 1 9 . 1 1 75 75 MET CA C 75 54.265 54.265 54.575 -0.310 17805 3959 1 9 . 1 1 75 75 MET CB C 75 35.566 35.566 33.151 2.414 17805 3960 1 9 . 1 1 75 75 MET H H 75 9.112 9.112 8.434 0.678 17805 3961 1 9 . 1 1 76 76 GLY N N 76 109.773 109.773 111.101 -1.328 17805 3962 1 9 . 1 1 76 76 GLY C C 76 180.165 180.165 172.599 7.566 17805 3963 1 9 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.036 0.865 17805 3964 1 9 . 1 1 76 76 GLY H H 76 8.711 8.711 8.420 0.291 17805 3965 1 9 . 1 1 77 77 THR N N 77 113.345 113.345 115.524 -2.179 17805 3966 1 9 . 1 1 77 77 THR HA H 77 4.787 4.787 4.721 0.066 17805 3967 1 9 . 1 1 77 77 THR C C 77 178.955 178.955 173.511 5.444 17805 3968 1 9 . 1 1 77 77 THR CA C 77 60.728 60.728 60.402 0.326 17805 3969 1 9 . 1 1 77 77 THR CB C 77 71.481 71.481 70.507 0.975 17805 3970 1 9 . 1 1 77 77 THR H H 77 8.280 8.280 8.105 0.175 17805 3971 1 9 . 1 1 78 78 ARG N N 78 122.844 122.844 122.678 0.166 17805 3972 1 9 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.364 -0.216 17805 3973 1 9 . 1 1 78 78 ARG C C 78 177.011 177.011 175.479 1.532 17805 3974 1 9 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.854 2.027 17805 3975 1 9 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.105 0.503 17805 3976 1 9 . 1 1 78 78 ARG H H 78 8.852 8.852 8.517 0.335 17805 3977 1 9 . 1 1 79 79 GLU N N 79 122.181 122.181 120.401 1.780 17805 3978 1 9 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.578 -0.372 17805 3979 1 9 . 1 1 79 79 GLU C C 79 176.784 176.784 175.851 0.933 17805 3980 1 9 . 1 1 79 79 GLU CA C 79 57.007 57.007 54.374 2.633 17805 3981 1 9 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.935 -0.171 17805 3982 1 9 . 1 1 79 79 GLU H H 79 8.300 8.300 8.616 -0.316 17805 3983 1 9 . 1 1 80 80 GLU N N 80 126.965 126.965 121.735 5.230 17805 3984 1 9 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.509 -0.460 17805 3985 1 9 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.842 2.486 17805 3986 1 9 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.899 1.388 17805 3987 1 9 . 1 1 80 80 GLU H H 80 8.015 8.015 8.490 -0.475 17805 3988 1 10 . 1 1 2 2 ALA N N 2 126.014 126.014 125.051 0.963 17805 3989 1 10 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.640 -0.607 17805 3990 1 10 . 1 1 2 2 ALA C C 2 176.202 176.202 176.235 -0.033 17805 3991 1 10 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.293 1.922 17805 3992 1 10 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.467 -0.091 17805 3993 1 10 . 1 1 2 2 ALA H H 2 8.410 8.410 8.384 0.026 17805 3994 1 10 . 1 1 3 3 LEU N N 3 123.255 123.255 124.881 -1.626 17805 3995 1 10 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.621 0.025 17805 3996 1 10 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.786 0.031 17805 3997 1 10 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.841 0.716 17805 3998 1 10 . 1 1 3 3 LEU H H 3 8.271 8.271 8.551 -0.280 17805 3999 1 10 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.714 -0.108 17805 4000 1 10 . 1 1 4 4 PRO C C 4 179.796 179.796 175.740 4.056 17805 4001 1 10 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.260 0.980 17805 4002 1 10 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.780 -0.710 17805 4003 1 10 . 1 1 5 5 ILE N N 5 122.161 122.161 118.298 3.863 17805 4004 1 10 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.733 -0.374 17805 4005 1 10 . 1 1 5 5 ILE C C 5 179.202 179.202 175.531 3.671 17805 4006 1 10 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.882 0.951 17805 4007 1 10 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.334 1.609 17805 4008 1 10 . 1 1 5 5 ILE H H 5 8.317 8.317 7.804 0.513 17805 4009 1 10 . 1 1 6 6 ILE N N 6 125.649 125.649 127.571 -1.922 17805 4010 1 10 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.582 0.339 17805 4011 1 10 . 1 1 6 6 ILE C C 6 178.393 178.393 174.694 3.699 17805 4012 1 10 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.008 -1.143 17805 4013 1 10 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.993 0.271 17805 4014 1 10 . 1 1 6 6 ILE H H 6 8.408 8.408 8.218 0.190 17805 4015 1 10 . 1 1 7 7 VAL N N 7 125.741 125.741 127.114 -1.373 17805 4016 1 10 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.819 0.111 17805 4017 1 10 . 1 1 7 7 VAL C C 7 178.215 178.215 173.948 4.267 17805 4018 1 10 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.358 0.006 17805 4019 1 10 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.237 -1.478 17805 4020 1 10 . 1 1 7 7 VAL H H 7 9.155 9.155 9.007 0.148 17805 4021 1 10 . 1 1 8 8 LYS N N 8 128.098 128.098 128.196 -0.098 17805 4022 1 10 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.405 -0.173 17805 4023 1 10 . 1 1 8 8 LYS C C 8 178.353 178.353 174.371 3.982 17805 4024 1 10 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.743 0.532 17805 4025 1 10 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.411 -0.476 17805 4026 1 10 . 1 1 8 8 LYS H H 8 9.174 9.174 8.904 0.270 17805 4027 1 10 . 1 1 9 9 TRP N N 9 125.952 125.952 128.229 -2.277 17805 4028 1 10 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.098 0.087 17805 4029 1 10 . 1 1 9 9 TRP C C 9 176.432 176.432 175.790 0.642 17805 4030 1 10 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.726 1.008 17805 4031 1 10 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.100 -1.539 17805 4032 1 10 . 1 1 9 9 TRP H H 9 8.844 8.844 8.528 0.316 17805 4033 1 10 . 1 1 10 10 GLY N N 10 117.044 117.044 115.856 1.188 17805 4034 1 10 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.161 1.940 17805 4035 1 10 . 1 1 10 10 GLY H H 10 8.683 8.683 8.510 0.173 17805 4036 1 10 . 1 1 11 11 GLY N N 11 109.364 109.364 105.982 3.382 17805 4037 1 10 . 1 1 11 11 GLY C C 11 179.353 179.353 174.369 4.984 17805 4038 1 10 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.755 0.705 17805 4039 1 10 . 1 1 11 11 GLY H H 11 8.600 8.600 8.348 0.252 17805 4040 1 10 . 1 1 12 12 GLN N N 12 119.388 119.388 119.950 -0.562 17805 4041 1 10 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.228 0.255 17805 4042 1 10 . 1 1 12 12 GLN C C 12 179.098 179.098 174.859 4.239 17805 4043 1 10 . 1 1 12 12 GLN CA C 12 54.502 54.502 55.176 -0.674 17805 4044 1 10 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.938 2.240 17805 4045 1 10 . 1 1 12 12 GLN H H 12 7.865 7.865 7.844 0.021 17805 4046 1 10 . 1 1 13 13 GLU N N 13 119.756 119.756 120.052 -0.296 17805 4047 1 10 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.236 -0.356 17805 4048 1 10 . 1 1 13 13 GLU C C 13 177.641 177.641 175.231 2.410 17805 4049 1 10 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.228 0.427 17805 4050 1 10 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.456 -0.150 17805 4051 1 10 . 1 1 13 13 GLU H H 13 8.172 8.172 8.047 0.125 17805 4052 1 10 . 1 1 14 14 TYR N N 14 122.812 122.812 124.358 -1.546 17805 4053 1 10 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.892 -0.291 17805 4054 1 10 . 1 1 14 14 TYR C C 14 177.990 177.990 174.801 3.189 17805 4055 1 10 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.787 0.459 17805 4056 1 10 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.351 -0.807 17805 4057 1 10 . 1 1 14 14 TYR H H 14 9.381 9.381 8.888 0.493 17805 4058 1 10 . 1 1 15 15 SER N N 15 118.339 118.339 118.331 0.008 17805 4059 1 10 . 1 1 15 15 SER HA H 15 4.747 4.747 5.335 -0.588 17805 4060 1 10 . 1 1 15 15 SER C C 15 178.924 178.924 173.708 5.216 17805 4061 1 10 . 1 1 15 15 SER CA C 15 58.099 58.099 57.288 0.811 17805 4062 1 10 . 1 1 15 15 SER CB C 15 63.394 63.394 64.900 -1.506 17805 4063 1 10 . 1 1 15 15 SER H H 15 8.802 8.802 8.591 0.211 17805 4064 1 10 . 1 1 16 16 VAL N N 16 128.611 128.611 121.082 7.529 17805 4065 1 10 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.350 -0.145 17805 4066 1 10 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.661 1.683 17805 4067 1 10 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.658 -2.130 17805 4068 1 10 . 1 1 16 16 VAL H H 16 9.005 9.005 8.687 0.318 17805 4069 1 10 . 1 1 17 17 THR N N 17 116.170 116.170 115.640 0.530 17805 4070 1 10 . 1 1 17 17 THR HA H 17 4.533 4.533 4.475 0.058 17805 4071 1 10 . 1 1 17 17 THR C C 17 177.649 177.649 173.819 3.830 17805 4072 1 10 . 1 1 17 17 THR CA C 17 62.331 62.331 62.141 0.190 17805 4073 1 10 . 1 1 17 17 THR CB C 17 70.040 70.040 68.711 1.329 17805 4074 1 10 . 1 1 17 17 THR H H 17 8.746 8.746 8.245 0.501 17805 4075 1 10 . 1 1 18 18 THR N N 18 107.517 107.517 114.385 -6.868 17805 4076 1 10 . 1 1 18 18 THR HA H 18 4.173 4.173 4.263 -0.090 17805 4077 1 10 . 1 1 18 18 THR C C 18 178.498 178.498 173.396 5.102 17805 4078 1 10 . 1 1 18 18 THR CA C 18 61.772 61.772 62.770 -0.998 17805 4079 1 10 . 1 1 18 18 THR CB C 18 69.121 69.121 69.117 0.004 17805 4080 1 10 . 1 1 18 18 THR H H 18 6.812 6.812 7.940 -1.128 17805 4081 1 10 . 1 1 19 19 LEU N N 19 123.019 123.019 117.264 5.755 17805 4082 1 10 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.741 -0.158 17805 4083 1 10 . 1 1 19 19 LEU C C 19 177.299 177.299 174.748 2.551 17805 4084 1 10 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.495 1.685 17805 4085 1 10 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.793 -2.082 17805 4086 1 10 . 1 1 19 19 LEU H H 19 8.388 8.388 7.187 1.201 17805 4087 1 10 . 1 1 20 20 SER N N 20 117.870 117.870 113.490 4.380 17805 4088 1 10 . 1 1 20 20 SER HA H 20 4.863 4.863 5.082 -0.219 17805 4089 1 10 . 1 1 20 20 SER C C 20 177.249 177.249 175.537 1.712 17805 4090 1 10 . 1 1 20 20 SER CA C 20 56.832 56.832 56.232 0.600 17805 4091 1 10 . 1 1 20 20 SER CB C 20 67.845 67.845 66.580 1.265 17805 4092 1 10 . 1 1 20 20 SER H H 20 9.714 9.714 8.054 1.660 17805 4093 1 10 . 1 1 21 21 GLU N N 21 116.130 116.130 122.381 -6.251 17805 4094 1 10 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.908 -0.168 17805 4095 1 10 . 1 1 21 21 GLU C C 21 176.555 176.555 176.481 0.074 17805 4096 1 10 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.468 -0.334 17805 4097 1 10 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.263 1.591 17805 4098 1 10 . 1 1 21 21 GLU H H 21 8.491 8.491 8.941 -0.450 17805 4099 1 10 . 1 1 22 22 ASP N N 22 115.741 115.741 116.101 -0.360 17805 4100 1 10 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.479 0.171 17805 4101 1 10 . 1 1 22 22 ASP C C 22 176.555 176.555 176.085 0.470 17805 4102 1 10 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.773 0.383 17805 4103 1 10 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.562 2.017 17805 4104 1 10 . 1 1 22 22 ASP H H 22 7.936 7.936 7.817 0.119 17805 4105 1 10 . 1 1 23 23 ASP N N 23 119.945 119.945 118.823 1.122 17805 4106 1 10 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.579 0.262 17805 4107 1 10 . 1 1 23 23 ASP C C 23 178.264 178.264 175.929 2.335 17805 4108 1 10 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.202 -0.979 17805 4109 1 10 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.443 0.340 17805 4110 1 10 . 1 1 23 23 ASP H H 23 7.313 7.313 8.141 -0.828 17805 4111 1 10 . 1 1 24 24 THR N N 24 107.918 107.918 106.797 1.121 17805 4112 1 10 . 1 1 24 24 THR HA H 24 5.328 5.328 4.488 0.840 17805 4113 1 10 . 1 1 24 24 THR C C 24 176.363 176.363 174.214 2.149 17805 4114 1 10 . 1 1 24 24 THR CA C 24 60.989 60.989 61.491 -0.502 17805 4115 1 10 . 1 1 24 24 THR CB C 24 74.287 74.287 70.334 3.953 17805 4116 1 10 . 1 1 24 24 THR H H 24 9.630 9.630 7.542 2.088 17805 4117 1 10 . 1 1 25 25 VAL N N 25 120.192 120.192 123.356 -3.164 17805 4118 1 10 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.647 -0.313 17805 4119 1 10 . 1 1 25 25 VAL C C 25 175.092 175.092 176.841 -1.749 17805 4120 1 10 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.407 0.219 17805 4121 1 10 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.022 0.127 17805 4122 1 10 . 1 1 25 25 VAL H H 25 8.260 8.260 8.820 -0.560 17805 4123 1 10 . 1 1 26 26 LEU N N 26 119.941 119.941 119.047 0.894 17805 4124 1 10 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.991 -0.119 17805 4125 1 10 . 1 1 26 26 LEU C C 26 174.996 174.996 178.404 -3.408 17805 4126 1 10 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.300 0.292 17805 4127 1 10 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.383 0.333 17805 4128 1 10 . 1 1 26 26 LEU H H 26 8.523 8.523 8.218 0.305 17805 4129 1 10 . 1 1 27 27 ASP N N 27 118.322 118.322 120.011 -1.689 17805 4130 1 10 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.436 -0.163 17805 4131 1 10 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.066 1.597 17805 4132 1 10 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.000 -0.069 17805 4133 1 10 . 1 1 27 27 ASP H H 27 7.581 7.581 8.136 -0.555 17805 4134 1 10 . 1 1 28 28 LEU N N 28 122.021 122.021 121.681 0.340 17805 4135 1 10 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.158 -0.075 17805 4136 1 10 . 1 1 28 28 LEU C C 28 175.514 175.514 178.644 -3.130 17805 4137 1 10 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.968 0.804 17805 4138 1 10 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.311 -1.086 17805 4139 1 10 . 1 1 28 28 LEU H H 28 7.837 7.837 7.971 -0.134 17805 4140 1 10 . 1 1 29 29 LYS N N 29 119.086 119.086 119.332 -0.246 17805 4141 1 10 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.899 0.621 17805 4142 1 10 . 1 1 29 29 LYS C C 29 172.261 172.261 178.751 -6.490 17805 4143 1 10 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.882 -0.095 17805 4144 1 10 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.886 2.411 17805 4145 1 10 . 1 1 29 29 LYS H H 29 8.467 8.467 8.704 -0.237 17805 4146 1 10 . 1 1 30 30 GLN N N 30 119.268 119.268 118.329 0.939 17805 4147 1 10 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.022 -0.090 17805 4148 1 10 . 1 1 30 30 GLN C C 30 174.240 174.240 178.393 -4.153 17805 4149 1 10 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.533 1.130 17805 4150 1 10 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.030 -0.224 17805 4151 1 10 . 1 1 30 30 GLN H H 30 9.049 9.049 7.838 1.211 17805 4152 1 10 . 1 1 31 31 PHE N N 31 121.690 121.690 120.772 0.918 17805 4153 1 10 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.201 0.017 17805 4154 1 10 . 1 1 31 31 PHE C C 31 173.970 173.970 177.580 -3.610 17805 4155 1 10 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.189 0.778 17805 4156 1 10 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.382 -0.008 17805 4157 1 10 . 1 1 31 31 PHE H H 31 8.039 8.039 7.748 0.291 17805 4158 1 10 . 1 1 32 32 LEU N N 32 118.232 118.232 117.258 0.974 17805 4159 1 10 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.012 -0.375 17805 4160 1 10 . 1 1 32 32 LEU C C 32 172.367 172.367 178.266 -5.899 17805 4161 1 10 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.974 -0.266 17805 4162 1 10 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.864 0.406 17805 4163 1 10 . 1 1 32 32 LEU H H 32 8.776 8.776 8.200 0.576 17805 4164 1 10 . 1 1 33 33 LYS N N 33 125.920 125.920 119.588 6.332 17805 4165 1 10 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.102 -0.300 17805 4166 1 10 . 1 1 33 33 LYS C C 33 173.820 173.820 178.743 -4.923 17805 4167 1 10 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.502 1.614 17805 4168 1 10 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.246 0.455 17805 4169 1 10 . 1 1 33 33 LYS H H 33 8.237 8.237 8.501 -0.264 17805 4170 1 10 . 1 1 34 34 THR N N 34 114.544 114.544 114.111 0.433 17805 4171 1 10 . 1 1 34 34 THR HA H 34 3.773 3.773 4.055 -0.282 17805 4172 1 10 . 1 1 34 34 THR C C 34 177.649 177.649 175.698 1.951 17805 4173 1 10 . 1 1 34 34 THR CA C 34 65.749 65.749 64.286 1.463 17805 4174 1 10 . 1 1 34 34 THR CB C 34 68.620 68.620 68.462 0.158 17805 4175 1 10 . 1 1 34 34 THR H H 34 7.281 7.281 7.511 -0.230 17805 4176 1 10 . 1 1 35 35 LEU N N 35 117.590 117.590 118.273 -0.683 17805 4177 1 10 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.338 -0.320 17805 4178 1 10 . 1 1 35 35 LEU C C 35 175.105 175.105 177.440 -2.335 17805 4179 1 10 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.835 1.180 17805 4180 1 10 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.334 1.669 17805 4181 1 10 . 1 1 35 35 LEU H H 35 6.752 6.752 7.300 -0.548 17805 4182 1 10 . 1 1 36 36 THR N N 36 104.865 104.865 108.456 -3.591 17805 4183 1 10 . 1 1 36 36 THR HA H 36 3.967 3.967 4.409 -0.442 17805 4184 1 10 . 1 1 36 36 THR C C 36 178.094 178.094 175.998 2.096 17805 4185 1 10 . 1 1 36 36 THR CA C 36 62.756 62.756 62.225 0.531 17805 4186 1 10 . 1 1 36 36 THR CB C 36 72.343 72.343 70.308 2.035 17805 4187 1 10 . 1 1 36 36 THR H H 36 7.675 7.675 7.999 -0.324 17805 4188 1 10 . 1 1 37 37 GLY N N 37 109.795 109.795 110.526 -0.731 17805 4189 1 10 . 1 1 37 37 GLY C C 37 179.368 179.368 173.458 5.910 17805 4190 1 10 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.882 -0.323 17805 4191 1 10 . 1 1 37 37 GLY H H 37 7.971 7.971 8.471 -0.500 17805 4192 1 10 . 1 1 38 38 VAL N N 38 122.557 122.557 122.510 0.047 17805 4193 1 10 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.373 -0.735 17805 4194 1 10 . 1 1 38 38 VAL C C 38 177.289 177.289 173.954 3.335 17805 4195 1 10 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.427 2.010 17805 4196 1 10 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.967 -1.577 17805 4197 1 10 . 1 1 38 38 VAL H H 38 7.533 7.533 7.196 0.337 17805 4198 1 10 . 1 1 39 39 LEU N N 39 127.828 127.828 124.258 3.570 17805 4199 1 10 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.913 -0.919 17805 4200 1 10 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.034 3.403 17805 4201 1 10 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.265 0.292 17805 4202 1 10 . 1 1 39 39 LEU H H 39 8.634 8.634 8.331 0.303 17805 4203 1 10 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.569 -0.730 17805 4204 1 10 . 1 1 40 40 PRO C C 40 174.857 174.857 177.349 -2.492 17805 4205 1 10 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.658 2.331 17805 4206 1 10 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.932 0.390 17805 4207 1 10 . 1 1 41 41 GLU N N 41 114.752 114.752 115.153 -0.401 17805 4208 1 10 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.086 -0.015 17805 4209 1 10 . 1 1 41 41 GLU C C 41 176.350 176.350 177.559 -1.209 17805 4210 1 10 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.143 0.795 17805 4211 1 10 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.123 -0.299 17805 4212 1 10 . 1 1 41 41 GLU H H 41 9.746 9.746 8.704 1.042 17805 4213 1 10 . 1 1 42 42 ARG N N 42 118.145 118.145 116.908 1.237 17805 4214 1 10 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.430 -0.115 17805 4215 1 10 . 1 1 42 42 ARG C C 42 177.731 177.731 176.457 1.274 17805 4216 1 10 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.738 -1.290 17805 4217 1 10 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.947 -0.842 17805 4218 1 10 . 1 1 42 42 ARG H H 42 7.938 7.938 7.533 0.405 17805 4219 1 10 . 1 1 43 43 GLN N N 43 118.250 118.250 116.032 2.218 17805 4220 1 10 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.633 -0.382 17805 4221 1 10 . 1 1 43 43 GLN C C 43 176.186 176.186 173.938 2.248 17805 4222 1 10 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.224 2.313 17805 4223 1 10 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.151 -1.159 17805 4224 1 10 . 1 1 43 43 GLN H H 43 7.034 7.034 7.598 -0.564 17805 4225 1 10 . 1 1 44 44 LYS N N 44 122.693 122.693 118.700 3.993 17805 4226 1 10 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.692 -0.228 17805 4227 1 10 . 1 1 44 44 LYS C C 44 178.040 178.040 174.414 3.626 17805 4228 1 10 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.698 0.854 17805 4229 1 10 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.863 -0.538 17805 4230 1 10 . 1 1 44 44 LYS H H 44 8.806 8.806 8.103 0.703 17805 4231 1 10 . 1 1 45 45 LEU N N 45 124.806 124.806 122.668 2.138 17805 4232 1 10 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.719 0.224 17805 4233 1 10 . 1 1 45 45 LEU C C 45 176.506 176.506 177.983 -1.477 17805 4234 1 10 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.657 -0.115 17805 4235 1 10 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.203 -0.382 17805 4236 1 10 . 1 1 45 45 LEU H H 45 8.704 8.704 8.721 -0.017 17805 4237 1 10 . 1 1 46 46 LEU N N 46 124.709 124.709 125.616 -0.907 17805 4238 1 10 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.079 0.279 17805 4239 1 10 . 1 1 46 46 LEU C C 46 175.289 175.289 176.501 -1.212 17805 4240 1 10 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.409 -0.650 17805 4241 1 10 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.705 0.822 17805 4242 1 10 . 1 1 46 46 LEU H H 46 8.751 8.751 8.658 0.093 17805 4243 1 10 . 1 1 47 47 GLY N N 47 109.276 109.276 113.752 -4.476 17805 4244 1 10 . 1 1 47 47 GLY C C 47 179.057 179.057 172.877 6.180 17805 4245 1 10 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.338 0.222 17805 4246 1 10 . 1 1 47 47 GLY H H 47 8.300 8.300 8.177 0.123 17805 4247 1 10 . 1 1 48 48 LEU N N 48 119.707 119.707 120.308 -0.601 17805 4248 1 10 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.676 -0.086 17805 4249 1 10 . 1 1 48 48 LEU C C 48 177.598 177.598 175.261 2.337 17805 4250 1 10 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.526 0.419 17805 4251 1 10 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.522 -5.108 17805 4252 1 10 . 1 1 48 48 LEU H H 48 7.581 7.581 8.243 -0.662 17805 4253 1 10 . 1 1 49 49 LYS N N 49 124.527 124.527 120.703 3.824 17805 4254 1 10 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.767 0.085 17805 4255 1 10 . 1 1 49 49 LYS C C 49 178.059 178.059 175.450 2.609 17805 4256 1 10 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.855 0.808 17805 4257 1 10 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.622 3.959 17805 4258 1 10 . 1 1 49 49 LYS H H 49 8.606 8.606 8.192 0.414 17805 4259 1 10 . 1 1 50 50 VAL N N 50 119.184 119.184 123.558 -4.374 17805 4260 1 10 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.445 -0.332 17805 4261 1 10 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.725 1.140 17805 4262 1 10 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.619 1.115 17805 4263 1 10 . 1 1 50 50 VAL H H 50 8.799 8.799 8.535 0.264 17805 4264 1 10 . 1 1 51 51 LYS N N 51 127.069 127.069 126.315 0.754 17805 4265 1 10 . 1 1 51 51 LYS HA H 51 3.824 3.824 4.005 -0.181 17805 4266 1 10 . 1 1 51 51 LYS C C 51 176.418 176.418 176.268 0.150 17805 4267 1 10 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.036 0.371 17805 4268 1 10 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.902 0.753 17805 4269 1 10 . 1 1 51 51 LYS H H 51 9.451 9.451 9.274 0.177 17805 4270 1 10 . 1 1 52 52 GLY N N 52 102.671 102.671 102.339 0.332 17805 4271 1 10 . 1 1 52 52 GLY C C 52 179.392 179.392 174.888 4.504 17805 4272 1 10 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.974 0.836 17805 4273 1 10 . 1 1 52 52 GLY H H 52 8.512 8.512 8.545 -0.033 17805 4274 1 10 . 1 1 53 53 LYS N N 53 121.307 121.307 121.541 -0.234 17805 4275 1 10 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.710 0.119 17805 4276 1 10 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.072 0.544 17805 4277 1 10 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.369 0.571 17805 4278 1 10 . 1 1 53 53 LYS H H 53 7.781 7.781 7.835 -0.054 17805 4279 1 10 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.383 -0.007 17805 4280 1 10 . 1 1 54 54 PRO C C 54 175.954 175.954 176.049 -0.095 17805 4281 1 10 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.737 1.080 17805 4282 1 10 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.873 2.278 17805 4283 1 10 . 1 1 55 55 ALA N N 55 125.654 125.654 122.757 2.897 17805 4284 1 10 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.897 0.241 17805 4285 1 10 . 1 1 55 55 ALA C C 55 175.977 175.977 176.991 -1.014 17805 4286 1 10 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.603 0.061 17805 4287 1 10 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.189 1.855 17805 4288 1 10 . 1 1 55 55 ALA H H 55 8.114 8.114 8.175 -0.061 17805 4289 1 10 . 1 1 56 56 GLU N N 56 122.313 122.313 120.717 1.596 17805 4290 1 10 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.065 0.150 17805 4291 1 10 . 1 1 56 56 GLU C C 56 176.924 176.924 177.827 -0.903 17805 4292 1 10 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.576 -0.487 17805 4293 1 10 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.441 0.645 17805 4294 1 10 . 1 1 56 56 GLU H H 56 8.179 8.179 8.392 -0.213 17805 4295 1 10 . 1 1 57 57 ASN N N 57 115.140 115.140 119.793 -4.653 17805 4296 1 10 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.428 -0.199 17805 4297 1 10 . 1 1 57 57 ASN C C 57 177.457 177.457 176.734 0.723 17805 4298 1 10 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.289 -1.090 17805 4299 1 10 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.513 0.715 17805 4300 1 10 . 1 1 57 57 ASN H H 57 8.504 8.504 8.785 -0.281 17805 4301 1 10 . 1 1 58 58 ASP N N 58 112.832 112.832 116.513 -3.681 17805 4302 1 10 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.560 -0.072 17805 4303 1 10 . 1 1 58 58 ASP C C 58 177.255 177.255 175.590 1.665 17805 4304 1 10 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.177 -0.569 17805 4305 1 10 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.026 -0.722 17805 4306 1 10 . 1 1 58 58 ASP H H 58 8.198 8.198 8.501 -0.303 17805 4307 1 10 . 1 1 59 59 VAL N N 59 122.073 122.073 121.242 0.831 17805 4308 1 10 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.953 -0.360 17805 4309 1 10 . 1 1 59 59 VAL C C 59 177.321 177.321 176.111 1.210 17805 4310 1 10 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.857 0.983 17805 4311 1 10 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.001 0.321 17805 4312 1 10 . 1 1 59 59 VAL H H 59 7.353 7.353 7.405 -0.052 17805 4313 1 10 . 1 1 60 60 LYS N N 60 125.064 125.064 126.457 -1.393 17805 4314 1 10 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.117 0.330 17805 4315 1 10 . 1 1 60 60 LYS C C 60 174.649 174.649 177.279 -2.630 17805 4316 1 10 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.913 -0.729 17805 4317 1 10 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.660 0.445 17805 4318 1 10 . 1 1 60 60 LYS H H 60 8.339 8.339 8.507 -0.168 17805 4319 1 10 . 1 1 61 61 LEU N N 61 121.612 121.612 121.129 0.483 17805 4320 1 10 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.240 -0.464 17805 4321 1 10 . 1 1 61 61 LEU C C 61 171.906 171.906 179.127 -7.221 17805 4322 1 10 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.989 0.998 17805 4323 1 10 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.976 -0.144 17805 4324 1 10 . 1 1 61 61 LEU H H 61 9.423 9.423 8.551 0.872 17805 4325 1 10 . 1 1 62 62 GLY N N 62 104.008 104.008 105.111 -1.103 17805 4326 1 10 . 1 1 62 62 GLY C C 62 177.869 177.869 175.062 2.807 17805 4327 1 10 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.829 -0.057 17805 4328 1 10 . 1 1 62 62 GLY H H 62 9.107 9.107 7.598 1.509 17805 4329 1 10 . 1 1 63 63 ALA N N 63 122.025 122.025 123.354 -1.329 17805 4330 1 10 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.209 0.064 17805 4331 1 10 . 1 1 63 63 ALA C C 63 174.499 174.499 178.319 -3.820 17805 4332 1 10 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.331 -0.910 17805 4333 1 10 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.784 0.032 17805 4334 1 10 . 1 1 63 63 ALA H H 63 7.755 7.755 8.032 -0.277 17805 4335 1 10 . 1 1 64 64 LEU N N 64 115.454 115.454 113.834 1.620 17805 4336 1 10 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.535 -0.467 17805 4337 1 10 . 1 1 64 64 LEU C C 64 177.197 177.197 177.772 -0.575 17805 4338 1 10 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.292 0.275 17805 4339 1 10 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.336 -0.200 17805 4340 1 10 . 1 1 64 64 LEU H H 64 7.214 7.214 7.511 -0.297 17805 4341 1 10 . 1 1 65 65 LYS N N 65 114.830 114.830 118.788 -3.958 17805 4342 1 10 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.056 -0.218 17805 4343 1 10 . 1 1 65 65 LYS C C 65 177.061 177.061 176.969 0.092 17805 4344 1 10 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.616 -1.879 17805 4345 1 10 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.010 -3.703 17805 4346 1 10 . 1 1 65 65 LYS H H 65 7.642 7.642 7.997 -0.355 17805 4347 1 10 . 1 1 66 66 LEU N N 66 119.305 119.305 111.439 7.866 17805 4348 1 10 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.542 -0.379 17805 4349 1 10 . 1 1 66 66 LEU C C 66 175.393 175.393 175.721 -0.328 17805 4350 1 10 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.458 0.389 17805 4351 1 10 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.776 -0.064 17805 4352 1 10 . 1 1 66 66 LEU H H 66 8.516 8.516 7.481 1.035 17805 4353 1 10 . 1 1 67 67 LYS N N 67 121.480 121.480 120.282 1.198 17805 4354 1 10 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.518 -0.021 17805 4355 1 10 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.114 -1.962 17805 4356 1 10 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.790 0.209 17805 4357 1 10 . 1 1 67 67 LYS H H 67 7.955 7.955 8.377 -0.422 17805 4358 1 10 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.327 -0.158 17805 4359 1 10 . 1 1 68 68 PRO C C 68 176.609 176.609 177.754 -1.145 17805 4360 1 10 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.575 -1.186 17805 4361 1 10 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.012 0.202 17805 4362 1 10 . 1 1 69 69 ASN N N 69 115.414 115.414 115.394 0.020 17805 4363 1 10 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.443 -0.481 17805 4364 1 10 . 1 1 69 69 ASN C C 69 178.824 178.824 175.677 3.147 17805 4365 1 10 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.642 0.378 17805 4366 1 10 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.615 -0.568 17805 4367 1 10 . 1 1 69 69 ASN H H 69 8.966 8.966 8.501 0.465 17805 4368 1 10 . 1 1 70 70 THR N N 70 115.426 115.426 115.277 0.149 17805 4369 1 10 . 1 1 70 70 THR HA H 70 3.949 3.949 4.354 -0.405 17805 4370 1 10 . 1 1 70 70 THR C C 70 180.592 180.592 173.877 6.715 17805 4371 1 10 . 1 1 70 70 THR CA C 70 65.247 65.247 62.419 2.828 17805 4372 1 10 . 1 1 70 70 THR CB C 70 70.132 70.132 69.609 0.523 17805 4373 1 10 . 1 1 70 70 THR H H 70 7.712 7.712 7.510 0.202 17805 4374 1 10 . 1 1 71 71 LYS N N 71 124.603 124.603 123.315 1.288 17805 4375 1 10 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.845 0.334 17805 4376 1 10 . 1 1 71 71 LYS C C 71 177.157 177.157 175.313 1.844 17805 4377 1 10 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.904 0.436 17805 4378 1 10 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.975 -0.246 17805 4379 1 10 . 1 1 71 71 LYS H H 71 8.284 8.284 8.257 0.027 17805 4380 1 10 . 1 1 72 72 ILE N N 72 123.505 123.505 119.469 4.036 17805 4381 1 10 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.523 -0.012 17805 4382 1 10 . 1 1 72 72 ILE C C 72 178.360 178.360 174.820 3.540 17805 4383 1 10 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.462 0.174 17805 4384 1 10 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.894 -0.067 17805 4385 1 10 . 1 1 72 72 ILE H H 72 9.142 9.142 8.873 0.269 17805 4386 1 10 . 1 1 73 73 MET N N 73 123.090 123.090 121.305 1.785 17805 4387 1 10 . 1 1 73 73 MET HA H 73 5.122 5.122 4.933 0.189 17805 4388 1 10 . 1 1 73 73 MET C C 73 179.095 179.095 175.350 3.745 17805 4389 1 10 . 1 1 73 73 MET CA C 73 54.949 54.949 55.052 -0.103 17805 4390 1 10 . 1 1 73 73 MET CB C 73 35.143 35.143 35.533 -0.390 17805 4391 1 10 . 1 1 73 73 MET H H 73 8.556 8.556 8.836 -0.280 17805 4392 1 10 . 1 1 74 74 MET N N 74 124.481 124.481 122.421 2.060 17805 4393 1 10 . 1 1 74 74 MET HA H 74 5.288 5.288 4.706 0.582 17805 4394 1 10 . 1 1 74 74 MET C C 74 178.476 178.476 175.297 3.179 17805 4395 1 10 . 1 1 74 74 MET CA C 74 54.862 54.862 55.203 -0.341 17805 4396 1 10 . 1 1 74 74 MET CB C 74 36.294 36.294 33.988 2.306 17805 4397 1 10 . 1 1 74 74 MET H H 74 8.924 8.924 8.940 -0.016 17805 4398 1 10 . 1 1 75 75 MET N N 75 123.963 123.963 124.937 -0.974 17805 4399 1 10 . 1 1 75 75 MET HA H 75 5.093 5.093 4.824 0.269 17805 4400 1 10 . 1 1 75 75 MET C C 75 177.842 177.842 174.971 2.871 17805 4401 1 10 . 1 1 75 75 MET CA C 75 54.265 54.265 54.492 -0.227 17805 4402 1 10 . 1 1 75 75 MET CB C 75 35.566 35.566 32.813 2.753 17805 4403 1 10 . 1 1 75 75 MET H H 75 9.112 9.112 8.081 1.031 17805 4404 1 10 . 1 1 76 76 GLY N N 76 109.773 109.773 111.158 -1.385 17805 4405 1 10 . 1 1 76 76 GLY C C 76 180.165 180.165 172.557 7.608 17805 4406 1 10 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.437 0.464 17805 4407 1 10 . 1 1 76 76 GLY H H 76 8.711 8.711 8.253 0.458 17805 4408 1 10 . 1 1 77 77 THR N N 77 113.345 113.345 113.692 -0.347 17805 4409 1 10 . 1 1 77 77 THR HA H 77 4.787 4.787 4.758 0.029 17805 4410 1 10 . 1 1 77 77 THR C C 77 178.955 178.955 173.388 5.567 17805 4411 1 10 . 1 1 77 77 THR CA C 77 60.728 60.728 60.748 -0.020 17805 4412 1 10 . 1 1 77 77 THR CB C 77 71.481 71.481 71.422 0.059 17805 4413 1 10 . 1 1 77 77 THR H H 77 8.280 8.280 8.018 0.262 17805 4414 1 10 . 1 1 78 78 ARG N N 78 122.844 122.844 122.133 0.711 17805 4415 1 10 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.491 -0.343 17805 4416 1 10 . 1 1 78 78 ARG C C 78 177.011 177.011 175.847 1.164 17805 4417 1 10 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.472 2.409 17805 4418 1 10 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.215 0.392 17805 4419 1 10 . 1 1 78 78 ARG H H 78 8.852 8.852 8.609 0.243 17805 4420 1 10 . 1 1 79 79 GLU N N 79 122.181 122.181 122.278 -0.097 17805 4421 1 10 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.547 -0.341 17805 4422 1 10 . 1 1 79 79 GLU C C 79 176.784 176.784 175.214 1.570 17805 4423 1 10 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.767 1.240 17805 4424 1 10 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.795 0.969 17805 4425 1 10 . 1 1 79 79 GLU H H 79 8.300 8.300 8.513 -0.213 17805 4426 1 10 . 1 1 80 80 GLU N N 80 126.965 126.965 124.288 2.677 17805 4427 1 10 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.199 -0.150 17805 4428 1 10 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.722 1.606 17805 4429 1 10 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.853 1.434 17805 4430 1 10 . 1 1 80 80 GLU H H 80 8.015 8.015 8.661 -0.646 17805 4431 1 11 . 1 1 2 2 ALA N N 2 126.014 126.014 124.592 1.422 17805 4432 1 11 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.477 -0.444 17805 4433 1 11 . 1 1 2 2 ALA C C 2 176.202 176.202 176.563 -0.361 17805 4434 1 11 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.379 1.836 17805 4435 1 11 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.140 0.236 17805 4436 1 11 . 1 1 2 2 ALA H H 2 8.410 8.410 8.365 0.045 17805 4437 1 11 . 1 1 3 3 LEU N N 3 123.255 123.255 125.199 -1.944 17805 4438 1 11 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.602 0.044 17805 4439 1 11 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.843 -0.026 17805 4440 1 11 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.746 0.811 17805 4441 1 11 . 1 1 3 3 LEU H H 3 8.271 8.271 8.555 -0.284 17805 4442 1 11 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.718 -0.112 17805 4443 1 11 . 1 1 4 4 PRO C C 4 179.796 179.796 175.768 4.028 17805 4444 1 11 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.265 0.975 17805 4445 1 11 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.791 -0.721 17805 4446 1 11 . 1 1 5 5 ILE N N 5 122.161 122.161 118.153 4.008 17805 4447 1 11 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.728 -0.369 17805 4448 1 11 . 1 1 5 5 ILE C C 5 179.202 179.202 175.507 3.695 17805 4449 1 11 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.906 0.927 17805 4450 1 11 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.283 1.660 17805 4451 1 11 . 1 1 5 5 ILE H H 5 8.317 8.317 7.792 0.525 17805 4452 1 11 . 1 1 6 6 ILE N N 6 125.649 125.649 127.832 -2.183 17805 4453 1 11 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.541 0.380 17805 4454 1 11 . 1 1 6 6 ILE C C 6 178.393 178.393 174.567 3.826 17805 4455 1 11 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.032 -1.167 17805 4456 1 11 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.641 0.623 17805 4457 1 11 . 1 1 6 6 ILE H H 6 8.408 8.408 8.251 0.157 17805 4458 1 11 . 1 1 7 7 VAL N N 7 125.741 125.741 127.492 -1.751 17805 4459 1 11 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.771 0.159 17805 4460 1 11 . 1 1 7 7 VAL C C 7 178.215 178.215 174.138 4.077 17805 4461 1 11 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.590 0.773 17805 4462 1 11 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.792 -1.033 17805 4463 1 11 . 1 1 7 7 VAL H H 7 9.155 9.155 8.998 0.157 17805 4464 1 11 . 1 1 8 8 LYS N N 8 128.098 128.098 128.589 -0.491 17805 4465 1 11 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.342 -0.110 17805 4466 1 11 . 1 1 8 8 LYS C C 8 178.353 178.353 174.496 3.857 17805 4467 1 11 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.838 0.437 17805 4468 1 11 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.191 -0.256 17805 4469 1 11 . 1 1 8 8 LYS H H 8 9.174 9.174 8.820 0.354 17805 4470 1 11 . 1 1 9 9 TRP N N 9 125.952 125.952 128.026 -2.074 17805 4471 1 11 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.089 0.096 17805 4472 1 11 . 1 1 9 9 TRP C C 9 176.432 176.432 175.812 0.620 17805 4473 1 11 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.726 1.008 17805 4474 1 11 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.062 -1.501 17805 4475 1 11 . 1 1 9 9 TRP H H 9 8.844 8.844 8.577 0.267 17805 4476 1 11 . 1 1 10 10 GLY N N 10 117.044 117.044 115.898 1.146 17805 4477 1 11 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.124 1.976 17805 4478 1 11 . 1 1 10 10 GLY H H 10 8.683 8.683 8.544 0.139 17805 4479 1 11 . 1 1 11 11 GLY N N 11 109.364 109.364 105.879 3.485 17805 4480 1 11 . 1 1 11 11 GLY C C 11 179.353 179.353 174.478 4.875 17805 4481 1 11 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.748 0.712 17805 4482 1 11 . 1 1 11 11 GLY H H 11 8.600 8.600 8.234 0.366 17805 4483 1 11 . 1 1 12 12 GLN N N 12 119.388 119.388 120.414 -1.026 17805 4484 1 11 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.307 0.176 17805 4485 1 11 . 1 1 12 12 GLN C C 12 179.098 179.098 175.089 4.009 17805 4486 1 11 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.712 -0.210 17805 4487 1 11 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.923 2.255 17805 4488 1 11 . 1 1 12 12 GLN H H 12 7.865 7.865 7.915 -0.050 17805 4489 1 11 . 1 1 13 13 GLU N N 13 119.756 119.756 119.829 -0.073 17805 4490 1 11 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.224 -0.344 17805 4491 1 11 . 1 1 13 13 GLU C C 13 177.641 177.641 175.321 2.320 17805 4492 1 11 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.237 0.418 17805 4493 1 11 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.595 -0.289 17805 4494 1 11 . 1 1 13 13 GLU H H 13 8.172 8.172 8.064 0.108 17805 4495 1 11 . 1 1 14 14 TYR N N 14 122.812 122.812 124.097 -1.285 17805 4496 1 11 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.873 -0.272 17805 4497 1 11 . 1 1 14 14 TYR C C 14 177.990 177.990 174.982 3.008 17805 4498 1 11 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.744 0.502 17805 4499 1 11 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.039 -0.495 17805 4500 1 11 . 1 1 14 14 TYR H H 14 9.381 9.381 8.829 0.552 17805 4501 1 11 . 1 1 15 15 SER N N 15 118.339 118.339 118.591 -0.252 17805 4502 1 11 . 1 1 15 15 SER HA H 15 4.747 4.747 5.370 -0.623 17805 4503 1 11 . 1 1 15 15 SER C C 15 178.924 178.924 173.769 5.155 17805 4504 1 11 . 1 1 15 15 SER CA C 15 58.099 58.099 57.105 0.994 17805 4505 1 11 . 1 1 15 15 SER CB C 15 63.394 63.394 64.969 -1.575 17805 4506 1 11 . 1 1 15 15 SER H H 15 8.802 8.802 8.643 0.159 17805 4507 1 11 . 1 1 16 16 VAL N N 16 128.611 128.611 121.555 7.056 17805 4508 1 11 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.365 -0.160 17805 4509 1 11 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.988 1.356 17805 4510 1 11 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.826 -1.298 17805 4511 1 11 . 1 1 16 16 VAL H H 16 9.005 9.005 8.649 0.356 17805 4512 1 11 . 1 1 17 17 THR N N 17 116.170 116.170 115.229 0.941 17805 4513 1 11 . 1 1 17 17 THR HA H 17 4.533 4.533 4.543 -0.010 17805 4514 1 11 . 1 1 17 17 THR C C 17 177.649 177.649 173.896 3.753 17805 4515 1 11 . 1 1 17 17 THR CA C 17 62.331 62.331 62.248 0.083 17805 4516 1 11 . 1 1 17 17 THR CB C 17 70.040 70.040 68.898 1.142 17805 4517 1 11 . 1 1 17 17 THR H H 17 8.746 8.746 8.328 0.418 17805 4518 1 11 . 1 1 18 18 THR N N 18 107.517 107.517 114.175 -6.658 17805 4519 1 11 . 1 1 18 18 THR HA H 18 4.173 4.173 4.259 -0.086 17805 4520 1 11 . 1 1 18 18 THR C C 18 178.498 178.498 173.445 5.053 17805 4521 1 11 . 1 1 18 18 THR CA C 18 61.772 61.772 62.736 -0.964 17805 4522 1 11 . 1 1 18 18 THR CB C 18 69.121 69.121 69.145 -0.024 17805 4523 1 11 . 1 1 18 18 THR H H 18 6.812 6.812 7.997 -1.185 17805 4524 1 11 . 1 1 19 19 LEU N N 19 123.019 123.019 117.102 5.917 17805 4525 1 11 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.708 -0.125 17805 4526 1 11 . 1 1 19 19 LEU C C 19 177.299 177.299 174.758 2.541 17805 4527 1 11 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.558 1.622 17805 4528 1 11 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.883 -2.172 17805 4529 1 11 . 1 1 19 19 LEU H H 19 8.388 8.388 7.151 1.237 17805 4530 1 11 . 1 1 20 20 SER N N 20 117.870 117.870 113.141 4.729 17805 4531 1 11 . 1 1 20 20 SER HA H 20 4.863 4.863 5.086 -0.223 17805 4532 1 11 . 1 1 20 20 SER C C 20 177.249 177.249 175.652 1.597 17805 4533 1 11 . 1 1 20 20 SER CA C 20 56.832 56.832 56.138 0.694 17805 4534 1 11 . 1 1 20 20 SER CB C 20 67.845 67.845 66.583 1.262 17805 4535 1 11 . 1 1 20 20 SER H H 20 9.714 9.714 8.095 1.619 17805 4536 1 11 . 1 1 21 21 GLU N N 21 116.130 116.130 122.833 -6.703 17805 4537 1 11 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.912 -0.172 17805 4538 1 11 . 1 1 21 21 GLU C C 21 176.555 176.555 176.226 0.329 17805 4539 1 11 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.683 -0.549 17805 4540 1 11 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.036 1.818 17805 4541 1 11 . 1 1 21 21 GLU H H 21 8.491 8.491 8.979 -0.488 17805 4542 1 11 . 1 1 22 22 ASP N N 22 115.741 115.741 115.991 -0.250 17805 4543 1 11 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.482 0.168 17805 4544 1 11 . 1 1 22 22 ASP C C 22 176.555 176.555 176.110 0.445 17805 4545 1 11 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.455 0.701 17805 4546 1 11 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.014 2.565 17805 4547 1 11 . 1 1 22 22 ASP H H 22 7.936 7.936 7.676 0.260 17805 4548 1 11 . 1 1 23 23 ASP N N 23 119.945 119.945 121.200 -1.255 17805 4549 1 11 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.593 0.248 17805 4550 1 11 . 1 1 23 23 ASP C C 23 178.264 178.264 175.626 2.638 17805 4551 1 11 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.059 -0.836 17805 4552 1 11 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.971 -0.188 17805 4553 1 11 . 1 1 23 23 ASP H H 23 7.313 7.313 8.206 -0.893 17805 4554 1 11 . 1 1 24 24 THR N N 24 107.918 107.918 106.284 1.634 17805 4555 1 11 . 1 1 24 24 THR HA H 24 5.328 5.328 4.467 0.861 17805 4556 1 11 . 1 1 24 24 THR C C 24 176.363 176.363 174.166 2.197 17805 4557 1 11 . 1 1 24 24 THR CA C 24 60.989 60.989 61.568 -0.579 17805 4558 1 11 . 1 1 24 24 THR CB C 24 74.287 74.287 70.995 3.292 17805 4559 1 11 . 1 1 24 24 THR H H 24 9.630 9.630 7.472 2.158 17805 4560 1 11 . 1 1 25 25 VAL N N 25 120.192 120.192 123.420 -3.228 17805 4561 1 11 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.624 -0.290 17805 4562 1 11 . 1 1 25 25 VAL C C 25 175.092 175.092 177.146 -2.054 17805 4563 1 11 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.356 0.270 17805 4564 1 11 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.048 0.101 17805 4565 1 11 . 1 1 25 25 VAL H H 25 8.260 8.260 8.901 -0.641 17805 4566 1 11 . 1 1 26 26 LEU N N 26 119.941 119.941 118.824 1.117 17805 4567 1 11 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.144 -0.272 17805 4568 1 11 . 1 1 26 26 LEU C C 26 174.996 174.996 178.480 -3.484 17805 4569 1 11 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.764 0.828 17805 4570 1 11 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.426 0.290 17805 4571 1 11 . 1 1 26 26 LEU H H 26 8.523 8.523 8.245 0.278 17805 4572 1 11 . 1 1 27 27 ASP N N 27 118.322 118.322 120.034 -1.712 17805 4573 1 11 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.433 -0.160 17805 4574 1 11 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.081 1.581 17805 4575 1 11 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.028 -0.097 17805 4576 1 11 . 1 1 27 27 ASP H H 27 7.581 7.581 8.135 -0.554 17805 4577 1 11 . 1 1 28 28 LEU N N 28 122.021 122.021 121.673 0.348 17805 4578 1 11 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.167 -0.084 17805 4579 1 11 . 1 1 28 28 LEU C C 28 175.514 175.514 178.623 -3.109 17805 4580 1 11 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.001 0.771 17805 4581 1 11 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.338 -1.113 17805 4582 1 11 . 1 1 28 28 LEU H H 28 7.837 7.837 7.935 -0.098 17805 4583 1 11 . 1 1 29 29 LYS N N 29 119.086 119.086 119.297 -0.211 17805 4584 1 11 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.896 0.624 17805 4585 1 11 . 1 1 29 29 LYS C C 29 172.261 172.261 178.771 -6.510 17805 4586 1 11 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.877 -0.090 17805 4587 1 11 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.868 2.429 17805 4588 1 11 . 1 1 29 29 LYS H H 29 8.467 8.467 8.707 -0.240 17805 4589 1 11 . 1 1 30 30 GLN N N 30 119.268 119.268 118.331 0.937 17805 4590 1 11 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.028 -0.096 17805 4591 1 11 . 1 1 30 30 GLN C C 30 174.240 174.240 178.378 -4.138 17805 4592 1 11 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.527 1.136 17805 4593 1 11 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.023 -0.217 17805 4594 1 11 . 1 1 30 30 GLN H H 30 9.049 9.049 7.834 1.215 17805 4595 1 11 . 1 1 31 31 PHE N N 31 121.690 121.690 120.820 0.870 17805 4596 1 11 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.200 0.018 17805 4597 1 11 . 1 1 31 31 PHE C C 31 173.970 173.970 177.567 -3.597 17805 4598 1 11 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.164 0.803 17805 4599 1 11 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.348 0.026 17805 4600 1 11 . 1 1 31 31 PHE H H 31 8.039 8.039 7.755 0.284 17805 4601 1 11 . 1 1 32 32 LEU N N 32 118.232 118.232 117.189 1.043 17805 4602 1 11 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.012 -0.375 17805 4603 1 11 . 1 1 32 32 LEU C C 32 172.367 172.367 178.221 -5.854 17805 4604 1 11 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.874 -0.166 17805 4605 1 11 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.847 0.423 17805 4606 1 11 . 1 1 32 32 LEU H H 32 8.776 8.776 8.201 0.575 17805 4607 1 11 . 1 1 33 33 LYS N N 33 125.920 125.920 119.856 6.064 17805 4608 1 11 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.112 -0.310 17805 4609 1 11 . 1 1 33 33 LYS C C 33 173.820 173.820 178.792 -4.972 17805 4610 1 11 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.617 1.499 17805 4611 1 11 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.234 0.467 17805 4612 1 11 . 1 1 33 33 LYS H H 33 8.237 8.237 8.562 -0.325 17805 4613 1 11 . 1 1 34 34 THR N N 34 114.544 114.544 113.419 1.125 17805 4614 1 11 . 1 1 34 34 THR HA H 34 3.773 3.773 4.094 -0.321 17805 4615 1 11 . 1 1 34 34 THR C C 34 177.649 177.649 175.350 2.299 17805 4616 1 11 . 1 1 34 34 THR CA C 34 65.749 65.749 64.161 1.588 17805 4617 1 11 . 1 1 34 34 THR CB C 34 68.620 68.620 68.521 0.099 17805 4618 1 11 . 1 1 34 34 THR H H 34 7.281 7.281 7.443 -0.162 17805 4619 1 11 . 1 1 35 35 LEU N N 35 117.590 117.590 118.599 -1.009 17805 4620 1 11 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.282 -0.264 17805 4621 1 11 . 1 1 35 35 LEU C C 35 175.105 175.105 177.330 -2.225 17805 4622 1 11 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.942 1.073 17805 4623 1 11 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.301 1.702 17805 4624 1 11 . 1 1 35 35 LEU H H 35 6.752 6.752 7.340 -0.588 17805 4625 1 11 . 1 1 36 36 THR N N 36 104.865 104.865 107.691 -2.826 17805 4626 1 11 . 1 1 36 36 THR HA H 36 3.967 3.967 4.425 -0.458 17805 4627 1 11 . 1 1 36 36 THR C C 36 178.094 178.094 175.851 2.243 17805 4628 1 11 . 1 1 36 36 THR CA C 36 62.756 62.756 62.428 0.328 17805 4629 1 11 . 1 1 36 36 THR CB C 36 72.343 72.343 70.216 2.127 17805 4630 1 11 . 1 1 36 36 THR H H 36 7.675 7.675 8.160 -0.485 17805 4631 1 11 . 1 1 37 37 GLY N N 37 109.795 109.795 110.378 -0.583 17805 4632 1 11 . 1 1 37 37 GLY C C 37 179.368 179.368 173.857 5.511 17805 4633 1 11 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.836 -0.277 17805 4634 1 11 . 1 1 37 37 GLY H H 37 7.971 7.971 8.379 -0.408 17805 4635 1 11 . 1 1 38 38 VAL N N 38 122.557 122.557 123.173 -0.616 17805 4636 1 11 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.060 -0.422 17805 4637 1 11 . 1 1 38 38 VAL C C 38 177.289 177.289 175.040 2.249 17805 4638 1 11 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.385 1.052 17805 4639 1 11 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.382 -0.992 17805 4640 1 11 . 1 1 38 38 VAL H H 38 7.533 7.533 6.947 0.586 17805 4641 1 11 . 1 1 39 39 LEU N N 39 127.828 127.828 121.840 5.988 17805 4642 1 11 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.870 -0.876 17805 4643 1 11 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.903 3.534 17805 4644 1 11 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.468 0.089 17805 4645 1 11 . 1 1 39 39 LEU H H 39 8.634 8.634 8.338 0.296 17805 4646 1 11 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.609 -0.770 17805 4647 1 11 . 1 1 40 40 PRO C C 40 174.857 174.857 177.397 -2.540 17805 4648 1 11 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.612 2.377 17805 4649 1 11 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.933 0.389 17805 4650 1 11 . 1 1 41 41 GLU N N 41 114.752 114.752 117.332 -2.580 17805 4651 1 11 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.132 -0.061 17805 4652 1 11 . 1 1 41 41 GLU C C 41 176.350 176.350 177.758 -1.408 17805 4653 1 11 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.761 1.177 17805 4654 1 11 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.271 -0.447 17805 4655 1 11 . 1 1 41 41 GLU H H 41 9.746 9.746 8.614 1.132 17805 4656 1 11 . 1 1 42 42 ARG N N 42 118.145 118.145 116.865 1.280 17805 4657 1 11 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.405 -0.090 17805 4658 1 11 . 1 1 42 42 ARG C C 42 177.731 177.731 176.694 1.037 17805 4659 1 11 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.853 -1.405 17805 4660 1 11 . 1 1 42 42 ARG CB C 42 31.105 31.105 32.040 -0.935 17805 4661 1 11 . 1 1 42 42 ARG H H 42 7.938 7.938 7.447 0.491 17805 4662 1 11 . 1 1 43 43 GLN N N 43 118.250 118.250 116.317 1.933 17805 4663 1 11 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.654 -0.403 17805 4664 1 11 . 1 1 43 43 GLN C C 43 176.186 176.186 174.028 2.158 17805 4665 1 11 . 1 1 43 43 GLN CA C 43 56.537 56.537 53.676 2.861 17805 4666 1 11 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.925 -0.933 17805 4667 1 11 . 1 1 43 43 GLN H H 43 7.034 7.034 7.733 -0.699 17805 4668 1 11 . 1 1 44 44 LYS N N 44 122.693 122.693 118.752 3.941 17805 4669 1 11 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.635 -0.171 17805 4670 1 11 . 1 1 44 44 LYS C C 44 178.040 178.040 174.349 3.691 17805 4671 1 11 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.810 0.742 17805 4672 1 11 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.664 -0.339 17805 4673 1 11 . 1 1 44 44 LYS H H 44 8.806 8.806 8.041 0.765 17805 4674 1 11 . 1 1 45 45 LEU N N 45 124.806 124.806 122.851 1.955 17805 4675 1 11 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.690 0.253 17805 4676 1 11 . 1 1 45 45 LEU C C 45 176.506 176.506 177.888 -1.382 17805 4677 1 11 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.018 -0.476 17805 4678 1 11 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.098 -0.277 17805 4679 1 11 . 1 1 45 45 LEU H H 45 8.704 8.704 8.637 0.067 17805 4680 1 11 . 1 1 46 46 LEU N N 46 124.709 124.709 125.711 -1.002 17805 4681 1 11 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.063 0.295 17805 4682 1 11 . 1 1 46 46 LEU C C 46 175.289 175.289 176.516 -1.227 17805 4683 1 11 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.580 -0.821 17805 4684 1 11 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.923 0.603 17805 4685 1 11 . 1 1 46 46 LEU H H 46 8.751 8.751 8.703 0.048 17805 4686 1 11 . 1 1 47 47 GLY N N 47 109.276 109.276 114.056 -4.780 17805 4687 1 11 . 1 1 47 47 GLY C C 47 179.057 179.057 172.561 6.496 17805 4688 1 11 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.571 -0.011 17805 4689 1 11 . 1 1 47 47 GLY H H 47 8.300 8.300 8.242 0.058 17805 4690 1 11 . 1 1 48 48 LEU N N 48 119.707 119.707 119.791 -0.084 17805 4691 1 11 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.635 -0.045 17805 4692 1 11 . 1 1 48 48 LEU C C 48 177.598 177.598 174.820 2.778 17805 4693 1 11 . 1 1 48 48 LEU CA C 48 53.945 53.945 54.108 -0.164 17805 4694 1 11 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.363 -4.949 17805 4695 1 11 . 1 1 48 48 LEU H H 48 7.581 7.581 8.120 -0.539 17805 4696 1 11 . 1 1 49 49 LYS N N 49 124.527 124.527 120.992 3.535 17805 4697 1 11 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.764 0.088 17805 4698 1 11 . 1 1 49 49 LYS C C 49 178.059 178.059 175.338 2.721 17805 4699 1 11 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.786 0.877 17805 4700 1 11 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.494 4.087 17805 4701 1 11 . 1 1 49 49 LYS H H 49 8.606 8.606 8.199 0.407 17805 4702 1 11 . 1 1 50 50 VAL N N 50 119.184 119.184 123.638 -4.454 17805 4703 1 11 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.314 -0.201 17805 4704 1 11 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.572 1.293 17805 4705 1 11 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.352 0.382 17805 4706 1 11 . 1 1 50 50 VAL H H 50 8.799 8.799 8.702 0.097 17805 4707 1 11 . 1 1 51 51 LYS N N 51 127.069 127.069 127.170 -0.101 17805 4708 1 11 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.982 -0.158 17805 4709 1 11 . 1 1 51 51 LYS C C 51 176.418 176.418 176.401 0.017 17805 4710 1 11 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.122 0.285 17805 4711 1 11 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.849 0.806 17805 4712 1 11 . 1 1 51 51 LYS H H 51 9.451 9.451 9.254 0.197 17805 4713 1 11 . 1 1 52 52 GLY N N 52 102.671 102.671 103.193 -0.522 17805 4714 1 11 . 1 1 52 52 GLY C C 52 179.392 179.392 174.585 4.807 17805 4715 1 11 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.043 0.767 17805 4716 1 11 . 1 1 52 52 GLY H H 52 8.512 8.512 8.498 0.014 17805 4717 1 11 . 1 1 53 53 LYS N N 53 121.307 121.307 121.429 -0.122 17805 4718 1 11 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.717 0.112 17805 4719 1 11 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.115 0.501 17805 4720 1 11 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.944 0.996 17805 4721 1 11 . 1 1 53 53 LYS H H 53 7.781 7.781 7.752 0.029 17805 4722 1 11 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.381 -0.005 17805 4723 1 11 . 1 1 54 54 PRO C C 54 175.954 175.954 176.051 -0.097 17805 4724 1 11 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.712 1.105 17805 4725 1 11 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.894 2.257 17805 4726 1 11 . 1 1 55 55 ALA N N 55 125.654 125.654 122.786 2.868 17805 4727 1 11 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.901 0.237 17805 4728 1 11 . 1 1 55 55 ALA C C 55 175.977 175.977 176.922 -0.945 17805 4729 1 11 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.606 0.058 17805 4730 1 11 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.222 1.822 17805 4731 1 11 . 1 1 55 55 ALA H H 55 8.114 8.114 8.159 -0.045 17805 4732 1 11 . 1 1 56 56 GLU N N 56 122.313 122.313 120.714 1.599 17805 4733 1 11 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.056 0.159 17805 4734 1 11 . 1 1 56 56 GLU C C 56 176.924 176.924 177.951 -1.027 17805 4735 1 11 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.128 -0.039 17805 4736 1 11 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.392 0.694 17805 4737 1 11 . 1 1 56 56 GLU H H 56 8.179 8.179 8.322 -0.143 17805 4738 1 11 . 1 1 57 57 ASN N N 57 115.140 115.140 120.841 -5.701 17805 4739 1 11 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.413 -0.184 17805 4740 1 11 . 1 1 57 57 ASN C C 57 177.457 177.457 176.936 0.521 17805 4741 1 11 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.231 -1.032 17805 4742 1 11 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.245 0.982 17805 4743 1 11 . 1 1 57 57 ASN H H 57 8.504 8.504 8.873 -0.369 17805 4744 1 11 . 1 1 58 58 ASP N N 58 112.832 112.832 117.124 -4.292 17805 4745 1 11 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.569 -0.081 17805 4746 1 11 . 1 1 58 58 ASP C C 58 177.255 177.255 175.796 1.459 17805 4747 1 11 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.595 -0.987 17805 4748 1 11 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.142 -0.838 17805 4749 1 11 . 1 1 58 58 ASP H H 58 8.198 8.198 8.392 -0.194 17805 4750 1 11 . 1 1 59 59 VAL N N 59 122.073 122.073 120.771 1.302 17805 4751 1 11 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.949 -0.356 17805 4752 1 11 . 1 1 59 59 VAL C C 59 177.321 177.321 175.960 1.361 17805 4753 1 11 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.948 0.892 17805 4754 1 11 . 1 1 59 59 VAL CB C 59 32.322 32.322 31.953 0.369 17805 4755 1 11 . 1 1 59 59 VAL H H 59 7.353 7.353 7.723 -0.370 17805 4756 1 11 . 1 1 60 60 LYS N N 60 125.064 125.064 126.274 -1.210 17805 4757 1 11 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.120 0.327 17805 4758 1 11 . 1 1 60 60 LYS C C 60 174.649 174.649 177.295 -2.646 17805 4759 1 11 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.887 -0.702 17805 4760 1 11 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.659 0.446 17805 4761 1 11 . 1 1 60 60 LYS H H 60 8.339 8.339 8.499 -0.160 17805 4762 1 11 . 1 1 61 61 LEU N N 61 121.612 121.612 121.350 0.262 17805 4763 1 11 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.219 -0.443 17805 4764 1 11 . 1 1 61 61 LEU C C 61 171.906 171.906 179.128 -7.222 17805 4765 1 11 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.078 0.909 17805 4766 1 11 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.961 -0.129 17805 4767 1 11 . 1 1 61 61 LEU H H 61 9.423 9.423 8.508 0.915 17805 4768 1 11 . 1 1 62 62 GLY N N 62 104.008 104.008 105.042 -1.034 17805 4769 1 11 . 1 1 62 62 GLY C C 62 177.869 177.869 175.063 2.806 17805 4770 1 11 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.814 -0.042 17805 4771 1 11 . 1 1 62 62 GLY H H 62 9.107 9.107 7.607 1.500 17805 4772 1 11 . 1 1 63 63 ALA N N 63 122.025 122.025 123.363 -1.338 17805 4773 1 11 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.208 0.065 17805 4774 1 11 . 1 1 63 63 ALA C C 63 174.499 174.499 178.317 -3.818 17805 4775 1 11 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.331 -0.910 17805 4776 1 11 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.787 0.029 17805 4777 1 11 . 1 1 63 63 ALA H H 63 7.755 7.755 8.026 -0.271 17805 4778 1 11 . 1 1 64 64 LEU N N 64 115.454 115.454 113.796 1.658 17805 4779 1 11 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.534 -0.466 17805 4780 1 11 . 1 1 64 64 LEU C C 64 177.197 177.197 177.744 -0.547 17805 4781 1 11 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.297 0.270 17805 4782 1 11 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.323 -0.187 17805 4783 1 11 . 1 1 64 64 LEU H H 64 7.214 7.214 7.509 -0.295 17805 4784 1 11 . 1 1 65 65 LYS N N 65 114.830 114.830 118.809 -3.979 17805 4785 1 11 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.055 -0.217 17805 4786 1 11 . 1 1 65 65 LYS C C 65 177.061 177.061 176.921 0.140 17805 4787 1 11 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.660 -1.923 17805 4788 1 11 . 1 1 65 65 LYS CB C 65 29.307 29.307 32.999 -3.692 17805 4789 1 11 . 1 1 65 65 LYS H H 65 7.642 7.642 7.988 -0.346 17805 4790 1 11 . 1 1 66 66 LEU N N 66 119.305 119.305 111.454 7.851 17805 4791 1 11 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.560 -0.397 17805 4792 1 11 . 1 1 66 66 LEU C C 66 175.393 175.393 175.731 -0.338 17805 4793 1 11 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.505 0.342 17805 4794 1 11 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.843 -0.131 17805 4795 1 11 . 1 1 66 66 LEU H H 66 8.516 8.516 7.479 1.037 17805 4796 1 11 . 1 1 67 67 LYS N N 67 121.480 121.480 120.301 1.179 17805 4797 1 11 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.516 -0.019 17805 4798 1 11 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.152 -2.000 17805 4799 1 11 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.796 0.203 17805 4800 1 11 . 1 1 67 67 LYS H H 67 7.955 7.955 8.367 -0.412 17805 4801 1 11 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.320 -0.151 17805 4802 1 11 . 1 1 68 68 PRO C C 68 176.609 176.609 177.851 -1.242 17805 4803 1 11 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.494 -1.105 17805 4804 1 11 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.922 0.292 17805 4805 1 11 . 1 1 69 69 ASN N N 69 115.414 115.414 116.495 -1.081 17805 4806 1 11 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.411 -0.449 17805 4807 1 11 . 1 1 69 69 ASN C C 69 178.824 178.824 175.896 2.928 17805 4808 1 11 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.606 -0.585 17805 4809 1 11 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.244 -0.197 17805 4810 1 11 . 1 1 69 69 ASN H H 69 8.966 8.966 8.582 0.384 17805 4811 1 11 . 1 1 70 70 THR N N 70 115.426 115.426 116.112 -0.686 17805 4812 1 11 . 1 1 70 70 THR HA H 70 3.949 3.949 4.434 -0.485 17805 4813 1 11 . 1 1 70 70 THR C C 70 180.592 180.592 173.885 6.707 17805 4814 1 11 . 1 1 70 70 THR CA C 70 65.247 65.247 63.069 2.178 17805 4815 1 11 . 1 1 70 70 THR CB C 70 70.132 70.132 70.306 -0.174 17805 4816 1 11 . 1 1 70 70 THR H H 70 7.712 7.712 7.619 0.093 17805 4817 1 11 . 1 1 71 71 LYS N N 71 124.603 124.603 123.248 1.355 17805 4818 1 11 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.979 0.200 17805 4819 1 11 . 1 1 71 71 LYS C C 71 177.157 177.157 176.310 0.847 17805 4820 1 11 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.665 -0.325 17805 4821 1 11 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.723 0.006 17805 4822 1 11 . 1 1 71 71 LYS H H 71 8.284 8.284 8.337 -0.053 17805 4823 1 11 . 1 1 72 72 ILE N N 72 123.505 123.505 119.437 4.068 17805 4824 1 11 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.507 0.004 17805 4825 1 11 . 1 1 72 72 ILE C C 72 178.360 178.360 174.953 3.407 17805 4826 1 11 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.265 0.371 17805 4827 1 11 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.707 0.120 17805 4828 1 11 . 1 1 72 72 ILE H H 72 9.142 9.142 9.025 0.117 17805 4829 1 11 . 1 1 73 73 MET N N 73 123.090 123.090 121.271 1.819 17805 4830 1 11 . 1 1 73 73 MET HA H 73 5.122 5.122 4.981 0.141 17805 4831 1 11 . 1 1 73 73 MET C C 73 179.095 179.095 175.282 3.813 17805 4832 1 11 . 1 1 73 73 MET CA C 73 54.949 54.949 54.870 0.079 17805 4833 1 11 . 1 1 73 73 MET CB C 73 35.143 35.143 35.884 -0.741 17805 4834 1 11 . 1 1 73 73 MET H H 73 8.556 8.556 8.779 -0.223 17805 4835 1 11 . 1 1 74 74 MET N N 74 124.481 124.481 122.340 2.141 17805 4836 1 11 . 1 1 74 74 MET HA H 74 5.288 5.288 4.693 0.595 17805 4837 1 11 . 1 1 74 74 MET C C 74 178.476 178.476 175.283 3.193 17805 4838 1 11 . 1 1 74 74 MET CA C 74 54.862 54.862 55.175 -0.313 17805 4839 1 11 . 1 1 74 74 MET CB C 74 36.294 36.294 33.954 2.340 17805 4840 1 11 . 1 1 74 74 MET H H 74 8.924 8.924 8.831 0.093 17805 4841 1 11 . 1 1 75 75 MET N N 75 123.963 123.963 124.796 -0.833 17805 4842 1 11 . 1 1 75 75 MET HA H 75 5.093 5.093 4.806 0.287 17805 4843 1 11 . 1 1 75 75 MET C C 75 177.842 177.842 175.058 2.784 17805 4844 1 11 . 1 1 75 75 MET CA C 75 54.265 54.265 54.477 -0.212 17805 4845 1 11 . 1 1 75 75 MET CB C 75 35.566 35.566 32.830 2.736 17805 4846 1 11 . 1 1 75 75 MET H H 75 9.112 9.112 8.079 1.033 17805 4847 1 11 . 1 1 76 76 GLY N N 76 109.773 109.773 110.815 -1.042 17805 4848 1 11 . 1 1 76 76 GLY C C 76 180.165 180.165 172.402 7.763 17805 4849 1 11 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.301 0.600 17805 4850 1 11 . 1 1 76 76 GLY H H 76 8.711 8.711 8.222 0.489 17805 4851 1 11 . 1 1 77 77 THR N N 77 113.345 113.345 114.017 -0.672 17805 4852 1 11 . 1 1 77 77 THR HA H 77 4.787 4.787 4.794 -0.007 17805 4853 1 11 . 1 1 77 77 THR C C 77 178.955 178.955 173.352 5.603 17805 4854 1 11 . 1 1 77 77 THR CA C 77 60.728 60.728 60.000 0.728 17805 4855 1 11 . 1 1 77 77 THR CB C 77 71.481 71.481 70.766 0.716 17805 4856 1 11 . 1 1 77 77 THR H H 77 8.280 8.280 7.994 0.286 17805 4857 1 11 . 1 1 78 78 ARG N N 78 122.844 122.844 123.617 -0.773 17805 4858 1 11 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.374 -0.226 17805 4859 1 11 . 1 1 78 78 ARG C C 78 177.011 177.011 175.501 1.510 17805 4860 1 11 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.238 1.643 17805 4861 1 11 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.654 0.953 17805 4862 1 11 . 1 1 78 78 ARG H H 78 8.852 8.852 8.613 0.239 17805 4863 1 11 . 1 1 79 79 GLU N N 79 122.181 122.181 122.472 -0.291 17805 4864 1 11 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.554 -0.348 17805 4865 1 11 . 1 1 79 79 GLU C C 79 176.784 176.784 175.617 1.167 17805 4866 1 11 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.240 1.767 17805 4867 1 11 . 1 1 79 79 GLU CB C 79 30.764 30.764 31.470 -0.706 17805 4868 1 11 . 1 1 79 79 GLU H H 79 8.300 8.300 8.396 -0.096 17805 4869 1 11 . 1 1 80 80 GLU N N 80 126.965 126.965 120.029 6.936 17805 4870 1 11 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.600 -0.551 17805 4871 1 11 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.800 2.528 17805 4872 1 11 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.709 0.578 17805 4873 1 11 . 1 1 80 80 GLU H H 80 8.015 8.015 8.454 -0.439 17805 4874 1 12 . 1 1 2 2 ALA N N 2 126.014 126.014 126.006 0.008 17805 4875 1 12 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.279 -0.246 17805 4876 1 12 . 1 1 2 2 ALA C C 2 176.202 176.202 176.898 -0.696 17805 4877 1 12 . 1 1 2 2 ALA CA C 2 53.215 53.215 52.009 1.206 17805 4878 1 12 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.150 0.226 17805 4879 1 12 . 1 1 2 2 ALA H H 2 8.410 8.410 8.373 0.037 17805 4880 1 12 . 1 1 3 3 LEU N N 3 123.255 123.255 125.211 -1.956 17805 4881 1 12 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.571 0.075 17805 4882 1 12 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.684 0.133 17805 4883 1 12 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.891 0.666 17805 4884 1 12 . 1 1 3 3 LEU H H 3 8.271 8.271 8.338 -0.067 17805 4885 1 12 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.707 -0.101 17805 4886 1 12 . 1 1 4 4 PRO C C 4 179.796 179.796 175.730 4.066 17805 4887 1 12 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.264 0.976 17805 4888 1 12 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.778 -0.708 17805 4889 1 12 . 1 1 5 5 ILE N N 5 122.161 122.161 118.280 3.881 17805 4890 1 12 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.728 -0.369 17805 4891 1 12 . 1 1 5 5 ILE C C 5 179.202 179.202 175.529 3.673 17805 4892 1 12 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.844 0.989 17805 4893 1 12 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.333 1.610 17805 4894 1 12 . 1 1 5 5 ILE H H 5 8.317 8.317 7.812 0.505 17805 4895 1 12 . 1 1 6 6 ILE N N 6 125.649 125.649 127.544 -1.895 17805 4896 1 12 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.564 0.357 17805 4897 1 12 . 1 1 6 6 ILE C C 6 178.393 178.393 174.687 3.706 17805 4898 1 12 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.980 -1.115 17805 4899 1 12 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.969 0.295 17805 4900 1 12 . 1 1 6 6 ILE H H 6 8.408 8.408 8.220 0.188 17805 4901 1 12 . 1 1 7 7 VAL N N 7 125.741 125.741 127.263 -1.522 17805 4902 1 12 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.784 0.146 17805 4903 1 12 . 1 1 7 7 VAL C C 7 178.215 178.215 173.970 4.245 17805 4904 1 12 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.418 -0.055 17805 4905 1 12 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.103 -1.344 17805 4906 1 12 . 1 1 7 7 VAL H H 7 9.155 9.155 8.987 0.168 17805 4907 1 12 . 1 1 8 8 LYS N N 8 128.098 128.098 128.345 -0.247 17805 4908 1 12 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.432 -0.200 17805 4909 1 12 . 1 1 8 8 LYS C C 8 178.353 178.353 174.365 3.988 17805 4910 1 12 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.780 0.495 17805 4911 1 12 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.420 -0.485 17805 4912 1 12 . 1 1 8 8 LYS H H 8 9.174 9.174 8.946 0.228 17805 4913 1 12 . 1 1 9 9 TRP N N 9 125.952 125.952 128.133 -2.181 17805 4914 1 12 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.099 0.086 17805 4915 1 12 . 1 1 9 9 TRP C C 9 176.432 176.432 175.832 0.600 17805 4916 1 12 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.749 0.985 17805 4917 1 12 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.186 -1.625 17805 4918 1 12 . 1 1 9 9 TRP H H 9 8.844 8.844 8.566 0.278 17805 4919 1 12 . 1 1 10 10 GLY N N 10 117.044 117.044 115.412 1.632 17805 4920 1 12 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.203 1.898 17805 4921 1 12 . 1 1 10 10 GLY H H 10 8.683 8.683 8.451 0.232 17805 4922 1 12 . 1 1 11 11 GLY N N 11 109.364 109.364 104.826 4.538 17805 4923 1 12 . 1 1 11 11 GLY C C 11 179.353 179.353 174.621 4.732 17805 4924 1 12 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.812 0.648 17805 4925 1 12 . 1 1 11 11 GLY H H 11 8.600 8.600 8.178 0.422 17805 4926 1 12 . 1 1 12 12 GLN N N 12 119.388 119.388 119.835 -0.447 17805 4927 1 12 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.373 0.110 17805 4928 1 12 . 1 1 12 12 GLN C C 12 179.098 179.098 174.333 4.765 17805 4929 1 12 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.539 -0.037 17805 4930 1 12 . 1 1 12 12 GLN CB C 12 32.178 32.178 30.337 1.841 17805 4931 1 12 . 1 1 12 12 GLN H H 12 7.865 7.865 8.001 -0.136 17805 4932 1 12 . 1 1 13 13 GLU N N 13 119.756 119.756 119.426 0.330 17805 4933 1 12 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.237 -0.357 17805 4934 1 12 . 1 1 13 13 GLU C C 13 177.641 177.641 175.226 2.415 17805 4935 1 12 . 1 1 13 13 GLU CA C 13 55.655 55.655 54.771 0.884 17805 4936 1 12 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.598 -0.292 17805 4937 1 12 . 1 1 13 13 GLU H H 13 8.172 8.172 8.040 0.132 17805 4938 1 12 . 1 1 14 14 TYR N N 14 122.812 122.812 124.198 -1.386 17805 4939 1 12 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.793 -0.192 17805 4940 1 12 . 1 1 14 14 TYR C C 14 177.990 177.990 174.890 3.100 17805 4941 1 12 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.800 0.446 17805 4942 1 12 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.222 -0.678 17805 4943 1 12 . 1 1 14 14 TYR H H 14 9.381 9.381 8.822 0.559 17805 4944 1 12 . 1 1 15 15 SER N N 15 118.339 118.339 118.966 -0.627 17805 4945 1 12 . 1 1 15 15 SER HA H 15 4.747 4.747 5.331 -0.584 17805 4946 1 12 . 1 1 15 15 SER C C 15 178.924 178.924 173.592 5.332 17805 4947 1 12 . 1 1 15 15 SER CA C 15 58.099 58.099 57.164 0.935 17805 4948 1 12 . 1 1 15 15 SER CB C 15 63.394 63.394 64.865 -1.471 17805 4949 1 12 . 1 1 15 15 SER H H 15 8.802 8.802 8.633 0.169 17805 4950 1 12 . 1 1 16 16 VAL N N 16 128.611 128.611 121.636 6.975 17805 4951 1 12 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.391 -0.186 17805 4952 1 12 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.362 1.982 17805 4953 1 12 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.231 -1.703 17805 4954 1 12 . 1 1 16 16 VAL H H 16 9.005 9.005 8.643 0.361 17805 4955 1 12 . 1 1 17 17 THR N N 17 116.170 116.170 114.398 1.772 17805 4956 1 12 . 1 1 17 17 THR HA H 17 4.533 4.533 4.534 -0.001 17805 4957 1 12 . 1 1 17 17 THR C C 17 177.649 177.649 173.865 3.784 17805 4958 1 12 . 1 1 17 17 THR CA C 17 62.331 62.331 62.213 0.118 17805 4959 1 12 . 1 1 17 17 THR CB C 17 70.040 70.040 68.692 1.348 17805 4960 1 12 . 1 1 17 17 THR H H 17 8.746 8.746 8.337 0.409 17805 4961 1 12 . 1 1 18 18 THR N N 18 107.517 107.517 113.722 -6.205 17805 4962 1 12 . 1 1 18 18 THR HA H 18 4.173 4.173 4.246 -0.073 17805 4963 1 12 . 1 1 18 18 THR C C 18 178.498 178.498 173.575 4.923 17805 4964 1 12 . 1 1 18 18 THR CA C 18 61.772 61.772 62.319 -0.547 17805 4965 1 12 . 1 1 18 18 THR CB C 18 69.121 69.121 68.942 0.179 17805 4966 1 12 . 1 1 18 18 THR H H 18 6.812 6.812 8.044 -1.232 17805 4967 1 12 . 1 1 19 19 LEU N N 19 123.019 123.019 117.676 5.343 17805 4968 1 12 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.708 -0.125 17805 4969 1 12 . 1 1 19 19 LEU C C 19 177.299 177.299 174.820 2.479 17805 4970 1 12 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.619 1.561 17805 4971 1 12 . 1 1 19 19 LEU CB C 19 42.711 42.711 45.071 -2.360 17805 4972 1 12 . 1 1 19 19 LEU H H 19 8.388 8.388 7.206 1.182 17805 4973 1 12 . 1 1 20 20 SER N N 20 117.870 117.870 113.078 4.792 17805 4974 1 12 . 1 1 20 20 SER HA H 20 4.863 4.863 5.096 -0.233 17805 4975 1 12 . 1 1 20 20 SER C C 20 177.249 177.249 175.597 1.652 17805 4976 1 12 . 1 1 20 20 SER CA C 20 56.832 56.832 56.191 0.641 17805 4977 1 12 . 1 1 20 20 SER CB C 20 67.845 67.845 66.735 1.110 17805 4978 1 12 . 1 1 20 20 SER H H 20 9.714 9.714 8.044 1.670 17805 4979 1 12 . 1 1 21 21 GLU N N 21 116.130 116.130 123.101 -6.971 17805 4980 1 12 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.912 -0.172 17805 4981 1 12 . 1 1 21 21 GLU C C 21 176.555 176.555 176.479 0.076 17805 4982 1 12 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.836 -0.702 17805 4983 1 12 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.204 1.650 17805 4984 1 12 . 1 1 21 21 GLU H H 21 8.491 8.491 8.998 -0.507 17805 4985 1 12 . 1 1 22 22 ASP N N 22 115.741 115.741 114.814 0.927 17805 4986 1 12 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.485 0.165 17805 4987 1 12 . 1 1 22 22 ASP C C 22 176.555 176.555 176.464 0.091 17805 4988 1 12 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.775 0.381 17805 4989 1 12 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.088 2.491 17805 4990 1 12 . 1 1 22 22 ASP H H 22 7.936 7.936 7.763 0.173 17805 4991 1 12 . 1 1 23 23 ASP N N 23 119.945 119.945 120.882 -0.937 17805 4992 1 12 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.585 0.256 17805 4993 1 12 . 1 1 23 23 ASP C C 23 178.264 178.264 175.536 2.728 17805 4994 1 12 . 1 1 23 23 ASP CA C 23 55.223 55.223 55.928 -0.705 17805 4995 1 12 . 1 1 23 23 ASP CB C 23 42.782 42.782 43.062 -0.280 17805 4996 1 12 . 1 1 23 23 ASP H H 23 7.313 7.313 8.091 -0.778 17805 4997 1 12 . 1 1 24 24 THR N N 24 107.918 107.918 105.716 2.202 17805 4998 1 12 . 1 1 24 24 THR HA H 24 5.328 5.328 4.563 0.765 17805 4999 1 12 . 1 1 24 24 THR C C 24 176.363 176.363 174.441 1.922 17805 5000 1 12 . 1 1 24 24 THR CA C 24 60.989 60.989 61.389 -0.400 17805 5001 1 12 . 1 1 24 24 THR CB C 24 74.287 74.287 71.048 3.239 17805 5002 1 12 . 1 1 24 24 THR H H 24 9.630 9.630 7.391 2.239 17805 5003 1 12 . 1 1 25 25 VAL N N 25 120.192 120.192 123.186 -2.994 17805 5004 1 12 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.620 -0.286 17805 5005 1 12 . 1 1 25 25 VAL C C 25 175.092 175.092 177.163 -2.071 17805 5006 1 12 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.499 0.127 17805 5007 1 12 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.059 0.090 17805 5008 1 12 . 1 1 25 25 VAL H H 25 8.260 8.260 9.068 -0.808 17805 5009 1 12 . 1 1 26 26 LEU N N 26 119.941 119.941 119.116 0.825 17805 5010 1 12 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.983 -0.111 17805 5011 1 12 . 1 1 26 26 LEU C C 26 174.996 174.996 178.415 -3.419 17805 5012 1 12 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.243 0.349 17805 5013 1 12 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.401 0.315 17805 5014 1 12 . 1 1 26 26 LEU H H 26 8.523 8.523 8.027 0.496 17805 5015 1 12 . 1 1 27 27 ASP N N 27 118.322 118.322 119.963 -1.641 17805 5016 1 12 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.437 -0.164 17805 5017 1 12 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.049 1.614 17805 5018 1 12 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.008 -0.077 17805 5019 1 12 . 1 1 27 27 ASP H H 27 7.581 7.581 8.121 -0.540 17805 5020 1 12 . 1 1 28 28 LEU N N 28 122.021 122.021 121.720 0.301 17805 5021 1 12 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.129 -0.046 17805 5022 1 12 . 1 1 28 28 LEU C C 28 175.514 175.514 178.592 -3.078 17805 5023 1 12 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.090 0.682 17805 5024 1 12 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.306 -1.081 17805 5025 1 12 . 1 1 28 28 LEU H H 28 7.837 7.837 7.921 -0.084 17805 5026 1 12 . 1 1 29 29 LYS N N 29 119.086 119.086 119.313 -0.227 17805 5027 1 12 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.896 0.624 17805 5028 1 12 . 1 1 29 29 LYS C C 29 172.261 172.261 178.726 -6.465 17805 5029 1 12 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.889 -0.102 17805 5030 1 12 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.864 2.433 17805 5031 1 12 . 1 1 29 29 LYS H H 29 8.467 8.467 8.721 -0.254 17805 5032 1 12 . 1 1 30 30 GLN N N 30 119.268 119.268 118.313 0.955 17805 5033 1 12 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.027 -0.095 17805 5034 1 12 . 1 1 30 30 GLN C C 30 174.240 174.240 178.421 -4.181 17805 5035 1 12 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.532 1.131 17805 5036 1 12 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.046 -0.240 17805 5037 1 12 . 1 1 30 30 GLN H H 30 9.049 9.049 7.841 1.208 17805 5038 1 12 . 1 1 31 31 PHE N N 31 121.690 121.690 120.786 0.904 17805 5039 1 12 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.213 0.005 17805 5040 1 12 . 1 1 31 31 PHE C C 31 173.970 173.970 177.552 -3.582 17805 5041 1 12 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.192 0.775 17805 5042 1 12 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.418 -0.044 17805 5043 1 12 . 1 1 31 31 PHE H H 31 8.039 8.039 7.781 0.258 17805 5044 1 12 . 1 1 32 32 LEU N N 32 118.232 118.232 117.267 0.965 17805 5045 1 12 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.016 -0.379 17805 5046 1 12 . 1 1 32 32 LEU C C 32 172.367 172.367 178.299 -5.932 17805 5047 1 12 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.928 -0.220 17805 5048 1 12 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.896 0.374 17805 5049 1 12 . 1 1 32 32 LEU H H 32 8.776 8.776 8.226 0.550 17805 5050 1 12 . 1 1 33 33 LYS N N 33 125.920 125.920 119.612 6.308 17805 5051 1 12 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.098 -0.296 17805 5052 1 12 . 1 1 33 33 LYS C C 33 173.820 173.820 178.678 -4.858 17805 5053 1 12 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.499 1.617 17805 5054 1 12 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.199 0.502 17805 5055 1 12 . 1 1 33 33 LYS H H 33 8.237 8.237 8.522 -0.285 17805 5056 1 12 . 1 1 34 34 THR N N 34 114.544 114.544 114.125 0.419 17805 5057 1 12 . 1 1 34 34 THR HA H 34 3.773 3.773 4.057 -0.284 17805 5058 1 12 . 1 1 34 34 THR C C 34 177.649 177.649 175.765 1.884 17805 5059 1 12 . 1 1 34 34 THR CA C 34 65.749 65.749 64.329 1.420 17805 5060 1 12 . 1 1 34 34 THR CB C 34 68.620 68.620 68.424 0.196 17805 5061 1 12 . 1 1 34 34 THR H H 34 7.281 7.281 7.506 -0.225 17805 5062 1 12 . 1 1 35 35 LEU N N 35 117.590 117.590 117.975 -0.385 17805 5063 1 12 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.331 -0.313 17805 5064 1 12 . 1 1 35 35 LEU C C 35 175.105 175.105 177.403 -2.298 17805 5065 1 12 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.690 1.325 17805 5066 1 12 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.380 1.623 17805 5067 1 12 . 1 1 35 35 LEU H H 35 6.752 6.752 7.306 -0.554 17805 5068 1 12 . 1 1 36 36 THR N N 36 104.865 104.865 107.878 -3.013 17805 5069 1 12 . 1 1 36 36 THR HA H 36 3.967 3.967 4.359 -0.392 17805 5070 1 12 . 1 1 36 36 THR C C 36 178.094 178.094 175.963 2.131 17805 5071 1 12 . 1 1 36 36 THR CA C 36 62.756 62.756 63.400 -0.644 17805 5072 1 12 . 1 1 36 36 THR CB C 36 72.343 72.343 70.749 1.594 17805 5073 1 12 . 1 1 36 36 THR H H 36 7.675 7.675 7.894 -0.219 17805 5074 1 12 . 1 1 37 37 GLY N N 37 109.795 109.795 111.088 -1.293 17805 5075 1 12 . 1 1 37 37 GLY C C 37 179.368 179.368 173.451 5.917 17805 5076 1 12 . 1 1 37 37 GLY CA C 37 45.559 45.559 46.022 -0.463 17805 5077 1 12 . 1 1 37 37 GLY H H 37 7.971 7.971 8.607 -0.636 17805 5078 1 12 . 1 1 38 38 VAL N N 38 122.557 122.557 122.627 -0.070 17805 5079 1 12 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.365 -0.727 17805 5080 1 12 . 1 1 38 38 VAL C C 38 177.289 177.289 174.293 2.996 17805 5081 1 12 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.364 2.073 17805 5082 1 12 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.551 -2.161 17805 5083 1 12 . 1 1 38 38 VAL H H 38 7.533 7.533 7.236 0.297 17805 5084 1 12 . 1 1 39 39 LEU N N 39 127.828 127.828 124.165 3.663 17805 5085 1 12 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.895 -0.901 17805 5086 1 12 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.994 3.443 17805 5087 1 12 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.287 0.270 17805 5088 1 12 . 1 1 39 39 LEU H H 39 8.634 8.634 8.290 0.344 17805 5089 1 12 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.562 -0.723 17805 5090 1 12 . 1 1 40 40 PRO C C 40 174.857 174.857 177.361 -2.504 17805 5091 1 12 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.680 2.309 17805 5092 1 12 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.920 0.402 17805 5093 1 12 . 1 1 41 41 GLU N N 41 114.752 114.752 115.716 -0.964 17805 5094 1 12 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.084 -0.013 17805 5095 1 12 . 1 1 41 41 GLU C C 41 176.350 176.350 177.433 -1.083 17805 5096 1 12 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.013 0.925 17805 5097 1 12 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.068 -0.244 17805 5098 1 12 . 1 1 41 41 GLU H H 41 9.746 9.746 8.749 0.997 17805 5099 1 12 . 1 1 42 42 ARG N N 42 118.145 118.145 116.768 1.377 17805 5100 1 12 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.435 -0.120 17805 5101 1 12 . 1 1 42 42 ARG C C 42 177.731 177.731 176.395 1.336 17805 5102 1 12 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.701 -1.253 17805 5103 1 12 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.960 -0.855 17805 5104 1 12 . 1 1 42 42 ARG H H 42 7.938 7.938 7.520 0.418 17805 5105 1 12 . 1 1 43 43 GLN N N 43 118.250 118.250 116.086 2.164 17805 5106 1 12 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.406 -0.155 17805 5107 1 12 . 1 1 43 43 GLN C C 43 176.186 176.186 173.865 2.321 17805 5108 1 12 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.636 1.901 17805 5109 1 12 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.756 -0.764 17805 5110 1 12 . 1 1 43 43 GLN H H 43 7.034 7.034 7.565 -0.531 17805 5111 1 12 . 1 1 44 44 LYS N N 44 122.693 122.693 118.790 3.903 17805 5112 1 12 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.694 -0.230 17805 5113 1 12 . 1 1 44 44 LYS C C 44 178.040 178.040 174.480 3.560 17805 5114 1 12 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.429 1.123 17805 5115 1 12 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.720 -0.395 17805 5116 1 12 . 1 1 44 44 LYS H H 44 8.806 8.806 8.087 0.719 17805 5117 1 12 . 1 1 45 45 LEU N N 45 124.806 124.806 122.680 2.126 17805 5118 1 12 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.738 0.205 17805 5119 1 12 . 1 1 45 45 LEU C C 45 176.506 176.506 178.003 -1.497 17805 5120 1 12 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.677 -0.135 17805 5121 1 12 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.162 -0.341 17805 5122 1 12 . 1 1 45 45 LEU H H 45 8.704 8.704 8.743 -0.039 17805 5123 1 12 . 1 1 46 46 LEU N N 46 124.709 124.709 125.554 -0.845 17805 5124 1 12 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.062 0.296 17805 5125 1 12 . 1 1 46 46 LEU C C 46 175.289 175.289 176.575 -1.286 17805 5126 1 12 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.523 -0.764 17805 5127 1 12 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.959 0.567 17805 5128 1 12 . 1 1 46 46 LEU H H 46 8.751 8.751 8.634 0.117 17805 5129 1 12 . 1 1 47 47 GLY N N 47 109.276 109.276 113.817 -4.541 17805 5130 1 12 . 1 1 47 47 GLY C C 47 179.057 179.057 172.493 6.564 17805 5131 1 12 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.300 0.260 17805 5132 1 12 . 1 1 47 47 GLY H H 47 8.300 8.300 8.103 0.197 17805 5133 1 12 . 1 1 48 48 LEU N N 48 119.707 119.707 120.687 -0.980 17805 5134 1 12 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.818 -0.228 17805 5135 1 12 . 1 1 48 48 LEU C C 48 177.598 177.598 175.170 2.428 17805 5136 1 12 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.281 0.664 17805 5137 1 12 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.192 -4.778 17805 5138 1 12 . 1 1 48 48 LEU H H 48 7.581 7.581 8.172 -0.591 17805 5139 1 12 . 1 1 49 49 LYS N N 49 124.527 124.527 120.280 4.247 17805 5140 1 12 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.850 0.002 17805 5141 1 12 . 1 1 49 49 LYS C C 49 178.059 178.059 175.480 2.579 17805 5142 1 12 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.800 0.862 17805 5143 1 12 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.484 4.097 17805 5144 1 12 . 1 1 49 49 LYS H H 49 8.606 8.606 8.156 0.450 17805 5145 1 12 . 1 1 50 50 VAL N N 50 119.184 119.184 123.772 -4.588 17805 5146 1 12 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.419 -0.306 17805 5147 1 12 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.867 0.998 17805 5148 1 12 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.523 1.210 17805 5149 1 12 . 1 1 50 50 VAL H H 50 8.799 8.799 8.400 0.399 17805 5150 1 12 . 1 1 51 51 LYS N N 51 127.069 127.069 126.859 0.210 17805 5151 1 12 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.988 -0.164 17805 5152 1 12 . 1 1 51 51 LYS C C 51 176.418 176.418 176.379 0.039 17805 5153 1 12 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.989 0.419 17805 5154 1 12 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.774 0.881 17805 5155 1 12 . 1 1 51 51 LYS H H 51 9.451 9.451 9.262 0.189 17805 5156 1 12 . 1 1 52 52 GLY N N 52 102.671 102.671 103.055 -0.384 17805 5157 1 12 . 1 1 52 52 GLY C C 52 179.392 179.392 174.201 5.191 17805 5158 1 12 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.050 0.760 17805 5159 1 12 . 1 1 52 52 GLY H H 52 8.512 8.512 8.474 0.038 17805 5160 1 12 . 1 1 53 53 LYS N N 53 121.307 121.307 121.392 -0.085 17805 5161 1 12 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.749 0.080 17805 5162 1 12 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.084 0.532 17805 5163 1 12 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.294 0.645 17805 5164 1 12 . 1 1 53 53 LYS H H 53 7.781 7.781 7.905 -0.124 17805 5165 1 12 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.380 -0.004 17805 5166 1 12 . 1 1 54 54 PRO C C 54 175.954 175.954 176.014 -0.060 17805 5167 1 12 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.770 1.046 17805 5168 1 12 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.882 2.269 17805 5169 1 12 . 1 1 55 55 ALA N N 55 125.654 125.654 123.115 2.539 17805 5170 1 12 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.909 0.229 17805 5171 1 12 . 1 1 55 55 ALA C C 55 175.977 175.977 176.838 -0.861 17805 5172 1 12 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.633 0.031 17805 5173 1 12 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.370 1.674 17805 5174 1 12 . 1 1 55 55 ALA H H 55 8.114 8.114 8.174 -0.060 17805 5175 1 12 . 1 1 56 56 GLU N N 56 122.313 122.313 121.509 0.804 17805 5176 1 12 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.116 0.099 17805 5177 1 12 . 1 1 56 56 GLU C C 56 176.924 176.924 177.888 -0.964 17805 5178 1 12 . 1 1 56 56 GLU CA C 56 56.089 56.089 55.718 0.371 17805 5179 1 12 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.462 0.624 17805 5180 1 12 . 1 1 56 56 GLU H H 56 8.179 8.179 8.338 -0.159 17805 5181 1 12 . 1 1 57 57 ASN N N 57 115.140 115.140 120.992 -5.852 17805 5182 1 12 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.384 -0.155 17805 5183 1 12 . 1 1 57 57 ASN C C 57 177.457 177.457 176.394 1.063 17805 5184 1 12 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.701 -1.502 17805 5185 1 12 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.489 0.738 17805 5186 1 12 . 1 1 57 57 ASN H H 57 8.504 8.504 8.830 -0.326 17805 5187 1 12 . 1 1 58 58 ASP N N 58 112.832 112.832 116.762 -3.930 17805 5188 1 12 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.513 -0.025 17805 5189 1 12 . 1 1 58 58 ASP C C 58 177.255 177.255 175.955 1.300 17805 5190 1 12 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.100 -1.492 17805 5191 1 12 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.857 -0.553 17805 5192 1 12 . 1 1 58 58 ASP H H 58 8.198 8.198 8.337 -0.139 17805 5193 1 12 . 1 1 59 59 VAL N N 59 122.073 122.073 121.000 1.073 17805 5194 1 12 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.034 -0.441 17805 5195 1 12 . 1 1 59 59 VAL C C 59 177.321 177.321 175.056 2.265 17805 5196 1 12 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.708 2.132 17805 5197 1 12 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.165 -0.843 17805 5198 1 12 . 1 1 59 59 VAL H H 59 7.353 7.353 7.762 -0.409 17805 5199 1 12 . 1 1 60 60 LYS N N 60 125.064 125.064 126.313 -1.249 17805 5200 1 12 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.180 0.267 17805 5201 1 12 . 1 1 60 60 LYS C C 60 174.649 174.649 177.288 -2.639 17805 5202 1 12 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.689 -0.504 17805 5203 1 12 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.936 0.169 17805 5204 1 12 . 1 1 60 60 LYS H H 60 8.339 8.339 8.261 0.078 17805 5205 1 12 . 1 1 61 61 LEU N N 61 121.612 121.612 121.431 0.181 17805 5206 1 12 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.231 -0.455 17805 5207 1 12 . 1 1 61 61 LEU C C 61 171.906 171.906 179.016 -7.110 17805 5208 1 12 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.040 0.947 17805 5209 1 12 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.965 -0.133 17805 5210 1 12 . 1 1 61 61 LEU H H 61 9.423 9.423 8.575 0.848 17805 5211 1 12 . 1 1 62 62 GLY N N 62 104.008 104.008 105.069 -1.061 17805 5212 1 12 . 1 1 62 62 GLY C C 62 177.869 177.869 175.043 2.826 17805 5213 1 12 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.816 -0.044 17805 5214 1 12 . 1 1 62 62 GLY H H 62 9.107 9.107 7.599 1.508 17805 5215 1 12 . 1 1 63 63 ALA N N 63 122.025 122.025 123.276 -1.251 17805 5216 1 12 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.215 0.058 17805 5217 1 12 . 1 1 63 63 ALA C C 63 174.499 174.499 178.312 -3.813 17805 5218 1 12 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.296 -0.875 17805 5219 1 12 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.801 0.015 17805 5220 1 12 . 1 1 63 63 ALA H H 63 7.755 7.755 8.025 -0.270 17805 5221 1 12 . 1 1 64 64 LEU N N 64 115.454 115.454 113.952 1.502 17805 5222 1 12 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.532 -0.464 17805 5223 1 12 . 1 1 64 64 LEU C C 64 177.197 177.197 177.670 -0.473 17805 5224 1 12 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.300 0.267 17805 5225 1 12 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.352 -0.215 17805 5226 1 12 . 1 1 64 64 LEU H H 64 7.214 7.214 7.505 -0.291 17805 5227 1 12 . 1 1 65 65 LYS N N 65 114.830 114.830 118.500 -3.670 17805 5228 1 12 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.061 -0.223 17805 5229 1 12 . 1 1 65 65 LYS C C 65 177.061 177.061 176.852 0.209 17805 5230 1 12 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.526 -1.789 17805 5231 1 12 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.043 -3.736 17805 5232 1 12 . 1 1 65 65 LYS H H 65 7.642 7.642 8.024 -0.382 17805 5233 1 12 . 1 1 66 66 LEU N N 66 119.305 119.305 111.597 7.708 17805 5234 1 12 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.557 -0.394 17805 5235 1 12 . 1 1 66 66 LEU C C 66 175.393 175.393 175.745 -0.352 17805 5236 1 12 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.452 0.396 17805 5237 1 12 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.796 -0.084 17805 5238 1 12 . 1 1 66 66 LEU H H 66 8.516 8.516 7.482 1.034 17805 5239 1 12 . 1 1 67 67 LYS N N 67 121.480 121.480 120.314 1.166 17805 5240 1 12 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.537 -0.040 17805 5241 1 12 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.194 -2.042 17805 5242 1 12 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.821 0.178 17805 5243 1 12 . 1 1 67 67 LYS H H 67 7.955 7.955 8.371 -0.416 17805 5244 1 12 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.286 -0.117 17805 5245 1 12 . 1 1 68 68 PRO C C 68 176.609 176.609 177.849 -1.240 17805 5246 1 12 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.471 -1.082 17805 5247 1 12 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.965 0.249 17805 5248 1 12 . 1 1 69 69 ASN N N 69 115.414 115.414 115.745 -0.331 17805 5249 1 12 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.418 -0.456 17805 5250 1 12 . 1 1 69 69 ASN C C 69 178.824 178.824 175.248 3.576 17805 5251 1 12 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.895 0.126 17805 5252 1 12 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.607 -0.560 17805 5253 1 12 . 1 1 69 69 ASN H H 69 8.966 8.966 8.519 0.447 17805 5254 1 12 . 1 1 70 70 THR N N 70 115.426 115.426 115.391 0.035 17805 5255 1 12 . 1 1 70 70 THR HA H 70 3.949 3.949 4.336 -0.387 17805 5256 1 12 . 1 1 70 70 THR C C 70 180.592 180.592 174.171 6.421 17805 5257 1 12 . 1 1 70 70 THR CA C 70 65.247 65.247 62.875 2.372 17805 5258 1 12 . 1 1 70 70 THR CB C 70 70.132 70.132 69.832 0.300 17805 5259 1 12 . 1 1 70 70 THR H H 70 7.712 7.712 7.531 0.181 17805 5260 1 12 . 1 1 71 71 LYS N N 71 124.603 124.603 123.529 1.074 17805 5261 1 12 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.853 0.326 17805 5262 1 12 . 1 1 71 71 LYS C C 71 177.157 177.157 175.613 1.544 17805 5263 1 12 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.986 0.354 17805 5264 1 12 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.108 -0.379 17805 5265 1 12 . 1 1 71 71 LYS H H 71 8.284 8.284 8.226 0.058 17805 5266 1 12 . 1 1 72 72 ILE N N 72 123.505 123.505 119.519 3.986 17805 5267 1 12 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.530 -0.019 17805 5268 1 12 . 1 1 72 72 ILE C C 72 178.360 178.360 174.835 3.525 17805 5269 1 12 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.428 0.208 17805 5270 1 12 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.908 -0.081 17805 5271 1 12 . 1 1 72 72 ILE H H 72 9.142 9.142 8.888 0.254 17805 5272 1 12 . 1 1 73 73 MET N N 73 123.090 123.090 121.308 1.782 17805 5273 1 12 . 1 1 73 73 MET HA H 73 5.122 5.122 4.962 0.160 17805 5274 1 12 . 1 1 73 73 MET C C 73 179.095 179.095 175.481 3.614 17805 5275 1 12 . 1 1 73 73 MET CA C 73 54.949 54.949 55.087 -0.138 17805 5276 1 12 . 1 1 73 73 MET CB C 73 35.143 35.143 35.443 -0.300 17805 5277 1 12 . 1 1 73 73 MET H H 73 8.556 8.556 8.804 -0.248 17805 5278 1 12 . 1 1 74 74 MET N N 74 124.481 124.481 122.303 2.178 17805 5279 1 12 . 1 1 74 74 MET HA H 74 5.288 5.288 4.667 0.621 17805 5280 1 12 . 1 1 74 74 MET C C 74 178.476 178.476 175.170 3.306 17805 5281 1 12 . 1 1 74 74 MET CA C 74 54.862 54.862 55.188 -0.326 17805 5282 1 12 . 1 1 74 74 MET CB C 74 36.294 36.294 33.995 2.300 17805 5283 1 12 . 1 1 74 74 MET H H 74 8.924 8.924 8.960 -0.036 17805 5284 1 12 . 1 1 75 75 MET N N 75 123.963 123.963 124.876 -0.913 17805 5285 1 12 . 1 1 75 75 MET HA H 75 5.093 5.093 4.801 0.292 17805 5286 1 12 . 1 1 75 75 MET C C 75 177.842 177.842 174.814 3.028 17805 5287 1 12 . 1 1 75 75 MET CA C 75 54.265 54.265 54.421 -0.156 17805 5288 1 12 . 1 1 75 75 MET CB C 75 35.566 35.566 33.096 2.470 17805 5289 1 12 . 1 1 75 75 MET H H 75 9.112 9.112 8.042 1.070 17805 5290 1 12 . 1 1 76 76 GLY N N 76 109.773 109.773 110.809 -1.036 17805 5291 1 12 . 1 1 76 76 GLY C C 76 180.165 180.165 172.549 7.616 17805 5292 1 12 . 1 1 76 76 GLY CA C 76 45.901 45.901 44.971 0.930 17805 5293 1 12 . 1 1 76 76 GLY H H 76 8.711 8.711 8.460 0.251 17805 5294 1 12 . 1 1 77 77 THR N N 77 113.345 113.345 114.397 -1.052 17805 5295 1 12 . 1 1 77 77 THR HA H 77 4.787 4.787 4.850 -0.063 17805 5296 1 12 . 1 1 77 77 THR C C 77 178.955 178.955 173.443 5.512 17805 5297 1 12 . 1 1 77 77 THR CA C 77 60.728 60.728 59.992 0.736 17805 5298 1 12 . 1 1 77 77 THR CB C 77 71.481 71.481 70.716 0.766 17805 5299 1 12 . 1 1 77 77 THR H H 77 8.280 8.280 8.100 0.180 17805 5300 1 12 . 1 1 78 78 ARG N N 78 122.844 122.844 123.750 -0.906 17805 5301 1 12 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.545 -0.397 17805 5302 1 12 . 1 1 78 78 ARG C C 78 177.011 177.011 175.792 1.219 17805 5303 1 12 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.867 2.014 17805 5304 1 12 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.769 -0.162 17805 5305 1 12 . 1 1 78 78 ARG H H 78 8.852 8.852 8.579 0.273 17805 5306 1 12 . 1 1 79 79 GLU N N 79 122.181 122.181 122.697 -0.516 17805 5307 1 12 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.399 -0.193 17805 5308 1 12 . 1 1 79 79 GLU C C 79 176.784 176.784 176.357 0.427 17805 5309 1 12 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.829 1.178 17805 5310 1 12 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.576 0.188 17805 5311 1 12 . 1 1 79 79 GLU H H 79 8.300 8.300 8.517 -0.217 17805 5312 1 12 . 1 1 80 80 GLU N N 80 126.965 126.965 120.513 6.452 17805 5313 1 12 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.178 -0.129 17805 5314 1 12 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.084 1.244 17805 5315 1 12 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.019 1.268 17805 5316 1 12 . 1 1 80 80 GLU H H 80 8.015 8.015 8.439 -0.424 17805 5317 1 13 . 1 1 2 2 ALA N N 2 126.014 126.014 124.925 1.089 17805 5318 1 13 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.507 -0.474 17805 5319 1 13 . 1 1 2 2 ALA C C 2 176.202 176.202 176.265 -0.063 17805 5320 1 13 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.250 1.965 17805 5321 1 13 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.809 -0.433 17805 5322 1 13 . 1 1 2 2 ALA H H 2 8.410 8.410 8.351 0.059 17805 5323 1 13 . 1 1 3 3 LEU N N 3 123.255 123.255 123.508 -0.253 17805 5324 1 13 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.677 -0.031 17805 5325 1 13 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.758 0.059 17805 5326 1 13 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.697 0.860 17805 5327 1 13 . 1 1 3 3 LEU H H 3 8.271 8.271 8.486 -0.215 17805 5328 1 13 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.737 -0.131 17805 5329 1 13 . 1 1 4 4 PRO C C 4 179.796 179.796 175.689 4.107 17805 5330 1 13 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.221 1.020 17805 5331 1 13 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.877 -0.807 17805 5332 1 13 . 1 1 5 5 ILE N N 5 122.161 122.161 118.390 3.771 17805 5333 1 13 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.701 -0.342 17805 5334 1 13 . 1 1 5 5 ILE C C 5 179.202 179.202 175.459 3.743 17805 5335 1 13 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.860 0.973 17805 5336 1 13 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.299 1.644 17805 5337 1 13 . 1 1 5 5 ILE H H 5 8.317 8.317 7.818 0.499 17805 5338 1 13 . 1 1 6 6 ILE N N 6 125.649 125.649 127.843 -2.194 17805 5339 1 13 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.612 0.309 17805 5340 1 13 . 1 1 6 6 ILE C C 6 178.393 178.393 174.608 3.785 17805 5341 1 13 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.952 -1.087 17805 5342 1 13 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.914 0.350 17805 5343 1 13 . 1 1 6 6 ILE H H 6 8.408 8.408 8.213 0.195 17805 5344 1 13 . 1 1 7 7 VAL N N 7 125.741 125.741 126.922 -1.181 17805 5345 1 13 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.921 0.009 17805 5346 1 13 . 1 1 7 7 VAL C C 7 178.215 178.215 173.993 4.222 17805 5347 1 13 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.491 0.872 17805 5348 1 13 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.225 -1.466 17805 5349 1 13 . 1 1 7 7 VAL H H 7 9.155 9.155 9.046 0.109 17805 5350 1 13 . 1 1 8 8 LYS N N 8 128.098 128.098 128.831 -0.733 17805 5351 1 13 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.395 -0.163 17805 5352 1 13 . 1 1 8 8 LYS C C 8 178.353 178.353 174.416 3.937 17805 5353 1 13 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.962 0.313 17805 5354 1 13 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.352 -0.416 17805 5355 1 13 . 1 1 8 8 LYS H H 8 9.174 9.174 8.979 0.195 17805 5356 1 13 . 1 1 9 9 TRP N N 9 125.952 125.952 128.254 -2.302 17805 5357 1 13 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.128 0.057 17805 5358 1 13 . 1 1 9 9 TRP C C 9 176.432 176.432 175.690 0.742 17805 5359 1 13 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.640 1.094 17805 5360 1 13 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.116 -1.555 17805 5361 1 13 . 1 1 9 9 TRP H H 9 8.844 8.844 9.209 -0.365 17805 5362 1 13 . 1 1 10 10 GLY N N 10 117.044 117.044 115.796 1.248 17805 5363 1 13 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.173 1.928 17805 5364 1 13 . 1 1 10 10 GLY H H 10 8.683 8.683 8.513 0.170 17805 5365 1 13 . 1 1 11 11 GLY N N 11 109.364 109.364 105.659 3.705 17805 5366 1 13 . 1 1 11 11 GLY C C 11 179.353 179.353 174.415 4.938 17805 5367 1 13 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.724 0.736 17805 5368 1 13 . 1 1 11 11 GLY H H 11 8.600 8.600 8.180 0.420 17805 5369 1 13 . 1 1 12 12 GLN N N 12 119.388 119.388 120.619 -1.231 17805 5370 1 13 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.269 0.214 17805 5371 1 13 . 1 1 12 12 GLN C C 12 179.098 179.098 174.811 4.287 17805 5372 1 13 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.809 -0.307 17805 5373 1 13 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.793 2.385 17805 5374 1 13 . 1 1 12 12 GLN H H 12 7.865 7.865 7.942 -0.077 17805 5375 1 13 . 1 1 13 13 GLU N N 13 119.756 119.756 121.815 -2.059 17805 5376 1 13 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.293 -0.413 17805 5377 1 13 . 1 1 13 13 GLU C C 13 177.641 177.641 175.323 2.318 17805 5378 1 13 . 1 1 13 13 GLU CA C 13 55.655 55.655 54.632 1.023 17805 5379 1 13 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.381 -0.075 17805 5380 1 13 . 1 1 13 13 GLU H H 13 8.172 8.172 8.230 -0.058 17805 5381 1 13 . 1 1 14 14 TYR N N 14 122.812 122.812 124.497 -1.685 17805 5382 1 13 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.838 -0.237 17805 5383 1 13 . 1 1 14 14 TYR C C 14 177.990 177.990 174.630 3.360 17805 5384 1 13 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.729 0.517 17805 5385 1 13 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.439 -0.895 17805 5386 1 13 . 1 1 14 14 TYR H H 14 9.381 9.381 8.959 0.422 17805 5387 1 13 . 1 1 15 15 SER N N 15 118.339 118.339 118.042 0.297 17805 5388 1 13 . 1 1 15 15 SER HA H 15 4.747 4.747 5.319 -0.572 17805 5389 1 13 . 1 1 15 15 SER C C 15 178.924 178.924 174.036 4.888 17805 5390 1 13 . 1 1 15 15 SER CA C 15 58.099 58.099 56.928 1.171 17805 5391 1 13 . 1 1 15 15 SER CB C 15 63.394 63.394 65.174 -1.780 17805 5392 1 13 . 1 1 15 15 SER H H 15 8.802 8.802 8.734 0.068 17805 5393 1 13 . 1 1 16 16 VAL N N 16 128.611 128.611 121.273 7.338 17805 5394 1 13 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.429 -0.224 17805 5395 1 13 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.731 1.613 17805 5396 1 13 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.928 -1.400 17805 5397 1 13 . 1 1 16 16 VAL H H 16 9.005 9.005 8.595 0.410 17805 5398 1 13 . 1 1 17 17 THR N N 17 116.170 116.170 114.590 1.580 17805 5399 1 13 . 1 1 17 17 THR HA H 17 4.533 4.533 4.485 0.048 17805 5400 1 13 . 1 1 17 17 THR C C 17 177.649 177.649 173.849 3.800 17805 5401 1 13 . 1 1 17 17 THR CA C 17 62.331 62.331 62.297 0.034 17805 5402 1 13 . 1 1 17 17 THR CB C 17 70.040 70.040 68.581 1.459 17805 5403 1 13 . 1 1 17 17 THR H H 17 8.746 8.746 8.278 0.468 17805 5404 1 13 . 1 1 18 18 THR N N 18 107.517 107.517 114.060 -6.543 17805 5405 1 13 . 1 1 18 18 THR HA H 18 4.173 4.173 4.268 -0.095 17805 5406 1 13 . 1 1 18 18 THR C C 18 178.498 178.498 173.591 4.907 17805 5407 1 13 . 1 1 18 18 THR CA C 18 61.772 61.772 62.445 -0.673 17805 5408 1 13 . 1 1 18 18 THR CB C 18 69.121 69.121 69.004 0.117 17805 5409 1 13 . 1 1 18 18 THR H H 18 6.812 6.812 7.898 -1.086 17805 5410 1 13 . 1 1 19 19 LEU N N 19 123.019 123.019 115.901 7.118 17805 5411 1 13 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.816 -0.233 17805 5412 1 13 . 1 1 19 19 LEU C C 19 177.299 177.299 174.367 2.932 17805 5413 1 13 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.804 1.376 17805 5414 1 13 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.994 -2.283 17805 5415 1 13 . 1 1 19 19 LEU H H 19 8.388 8.388 7.232 1.156 17805 5416 1 13 . 1 1 20 20 SER N N 20 117.870 117.870 113.320 4.550 17805 5417 1 13 . 1 1 20 20 SER HA H 20 4.863 4.863 5.158 -0.295 17805 5418 1 13 . 1 1 20 20 SER C C 20 177.249 177.249 175.833 1.416 17805 5419 1 13 . 1 1 20 20 SER CA C 20 56.832 56.832 56.128 0.704 17805 5420 1 13 . 1 1 20 20 SER CB C 20 67.845 67.845 66.408 1.437 17805 5421 1 13 . 1 1 20 20 SER H H 20 9.714 9.714 8.333 1.381 17805 5422 1 13 . 1 1 21 21 GLU N N 21 116.130 116.130 121.512 -5.382 17805 5423 1 13 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.995 -0.255 17805 5424 1 13 . 1 1 21 21 GLU C C 21 176.555 176.555 176.783 -0.228 17805 5425 1 13 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.192 -0.058 17805 5426 1 13 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.236 1.618 17805 5427 1 13 . 1 1 21 21 GLU H H 21 8.491 8.491 8.934 -0.443 17805 5428 1 13 . 1 1 22 22 ASP N N 22 115.741 115.741 117.168 -1.427 17805 5429 1 13 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.576 0.074 17805 5430 1 13 . 1 1 22 22 ASP C C 22 176.555 176.555 176.413 0.142 17805 5431 1 13 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.375 -0.219 17805 5432 1 13 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.247 2.332 17805 5433 1 13 . 1 1 22 22 ASP H H 22 7.936 7.936 8.150 -0.214 17805 5434 1 13 . 1 1 23 23 ASP N N 23 119.945 119.945 119.496 0.449 17805 5435 1 13 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.542 0.299 17805 5436 1 13 . 1 1 23 23 ASP C C 23 178.264 178.264 175.841 2.423 17805 5437 1 13 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.505 -1.282 17805 5438 1 13 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.336 0.446 17805 5439 1 13 . 1 1 23 23 ASP H H 23 7.313 7.313 7.702 -0.389 17805 5440 1 13 . 1 1 24 24 THR N N 24 107.918 107.918 105.454 2.464 17805 5441 1 13 . 1 1 24 24 THR HA H 24 5.328 5.328 4.514 0.814 17805 5442 1 13 . 1 1 24 24 THR C C 24 176.363 176.363 173.809 2.554 17805 5443 1 13 . 1 1 24 24 THR CA C 24 60.989 60.989 61.623 -0.634 17805 5444 1 13 . 1 1 24 24 THR CB C 24 74.287 74.287 71.080 3.207 17805 5445 1 13 . 1 1 24 24 THR H H 24 9.630 9.630 7.461 2.169 17805 5446 1 13 . 1 1 25 25 VAL N N 25 120.192 120.192 123.332 -3.140 17805 5447 1 13 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.711 -0.377 17805 5448 1 13 . 1 1 25 25 VAL C C 25 175.092 175.092 177.071 -1.979 17805 5449 1 13 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.781 0.845 17805 5450 1 13 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.828 0.321 17805 5451 1 13 . 1 1 25 25 VAL H H 25 8.260 8.260 9.045 -0.785 17805 5452 1 13 . 1 1 26 26 LEU N N 26 119.941 119.941 119.787 0.154 17805 5453 1 13 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.024 -0.152 17805 5454 1 13 . 1 1 26 26 LEU C C 26 174.996 174.996 178.575 -3.579 17805 5455 1 13 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.437 0.155 17805 5456 1 13 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.408 0.308 17805 5457 1 13 . 1 1 26 26 LEU H H 26 8.523 8.523 8.158 0.365 17805 5458 1 13 . 1 1 27 27 ASP N N 27 118.322 118.322 119.985 -1.663 17805 5459 1 13 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.441 -0.168 17805 5460 1 13 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.942 1.721 17805 5461 1 13 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.983 -0.052 17805 5462 1 13 . 1 1 27 27 ASP H H 27 7.581 7.581 8.121 -0.540 17805 5463 1 13 . 1 1 28 28 LEU N N 28 122.021 122.021 121.667 0.354 17805 5464 1 13 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.145 -0.062 17805 5465 1 13 . 1 1 28 28 LEU C C 28 175.514 175.514 178.643 -3.129 17805 5466 1 13 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.974 0.798 17805 5467 1 13 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.245 -1.020 17805 5468 1 13 . 1 1 28 28 LEU H H 28 7.837 7.837 8.025 -0.188 17805 5469 1 13 . 1 1 29 29 LYS N N 29 119.086 119.086 119.282 -0.196 17805 5470 1 13 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.899 0.621 17805 5471 1 13 . 1 1 29 29 LYS C C 29 172.261 172.261 178.712 -6.451 17805 5472 1 13 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.888 -0.101 17805 5473 1 13 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.876 2.421 17805 5474 1 13 . 1 1 29 29 LYS H H 29 8.467 8.467 8.717 -0.250 17805 5475 1 13 . 1 1 30 30 GLN N N 30 119.268 119.268 118.351 0.917 17805 5476 1 13 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.020 -0.088 17805 5477 1 13 . 1 1 30 30 GLN C C 30 174.240 174.240 178.416 -4.176 17805 5478 1 13 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.539 1.124 17805 5479 1 13 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.026 -0.220 17805 5480 1 13 . 1 1 30 30 GLN H H 30 9.049 9.049 7.846 1.203 17805 5481 1 13 . 1 1 31 31 PHE N N 31 121.690 121.690 120.763 0.927 17805 5482 1 13 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.203 0.015 17805 5483 1 13 . 1 1 31 31 PHE C C 31 173.970 173.970 177.560 -3.590 17805 5484 1 13 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.222 0.744 17805 5485 1 13 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.394 -0.020 17805 5486 1 13 . 1 1 31 31 PHE H H 31 8.039 8.039 7.777 0.262 17805 5487 1 13 . 1 1 32 32 LEU N N 32 118.232 118.232 117.236 0.996 17805 5488 1 13 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.030 -0.393 17805 5489 1 13 . 1 1 32 32 LEU C C 32 172.367 172.367 178.272 -5.905 17805 5490 1 13 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.857 -0.149 17805 5491 1 13 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.886 0.384 17805 5492 1 13 . 1 1 32 32 LEU H H 32 8.776 8.776 8.128 0.648 17805 5493 1 13 . 1 1 33 33 LYS N N 33 125.920 125.920 120.080 5.840 17805 5494 1 13 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.082 -0.280 17805 5495 1 13 . 1 1 33 33 LYS C C 33 173.820 173.820 178.646 -4.826 17805 5496 1 13 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.631 1.485 17805 5497 1 13 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.172 0.530 17805 5498 1 13 . 1 1 33 33 LYS H H 33 8.237 8.237 8.567 -0.330 17805 5499 1 13 . 1 1 34 34 THR N N 34 114.544 114.544 113.630 0.914 17805 5500 1 13 . 1 1 34 34 THR HA H 34 3.773 3.773 4.062 -0.289 17805 5501 1 13 . 1 1 34 34 THR C C 34 177.649 177.649 175.630 2.019 17805 5502 1 13 . 1 1 34 34 THR CA C 34 65.749 65.749 64.795 0.954 17805 5503 1 13 . 1 1 34 34 THR CB C 34 68.620 68.620 68.623 -0.002 17805 5504 1 13 . 1 1 34 34 THR H H 34 7.281 7.281 7.455 -0.174 17805 5505 1 13 . 1 1 35 35 LEU N N 35 117.590 117.590 118.692 -1.102 17805 5506 1 13 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.212 -0.194 17805 5507 1 13 . 1 1 35 35 LEU C C 35 175.105 175.105 177.600 -2.495 17805 5508 1 13 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.913 1.102 17805 5509 1 13 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.452 1.551 17805 5510 1 13 . 1 1 35 35 LEU H H 35 6.752 6.752 7.460 -0.708 17805 5511 1 13 . 1 1 36 36 THR N N 36 104.865 104.865 108.025 -3.160 17805 5512 1 13 . 1 1 36 36 THR HA H 36 3.967 3.967 4.503 -0.536 17805 5513 1 13 . 1 1 36 36 THR C C 36 178.094 178.094 176.006 2.088 17805 5514 1 13 . 1 1 36 36 THR CA C 36 62.756 62.756 62.696 0.060 17805 5515 1 13 . 1 1 36 36 THR CB C 36 72.343 72.343 70.517 1.826 17805 5516 1 13 . 1 1 36 36 THR H H 36 7.675 7.675 7.925 -0.250 17805 5517 1 13 . 1 1 37 37 GLY N N 37 109.795 109.795 110.358 -0.563 17805 5518 1 13 . 1 1 37 37 GLY C C 37 179.368 179.368 173.444 5.924 17805 5519 1 13 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.669 -0.110 17805 5520 1 13 . 1 1 37 37 GLY H H 37 7.971 7.971 8.504 -0.533 17805 5521 1 13 . 1 1 38 38 VAL N N 38 122.557 122.557 121.949 0.608 17805 5522 1 13 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.334 -0.696 17805 5523 1 13 . 1 1 38 38 VAL C C 38 177.289 177.289 173.992 3.297 17805 5524 1 13 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.368 2.069 17805 5525 1 13 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.978 -1.588 17805 5526 1 13 . 1 1 38 38 VAL H H 38 7.533 7.533 7.257 0.276 17805 5527 1 13 . 1 1 39 39 LEU N N 39 127.828 127.828 123.435 4.393 17805 5528 1 13 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.884 -0.890 17805 5529 1 13 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.005 3.432 17805 5530 1 13 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.131 0.426 17805 5531 1 13 . 1 1 39 39 LEU H H 39 8.634 8.634 8.350 0.284 17805 5532 1 13 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.564 -0.725 17805 5533 1 13 . 1 1 40 40 PRO C C 40 174.857 174.857 177.350 -2.493 17805 5534 1 13 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.668 2.321 17805 5535 1 13 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.928 0.394 17805 5536 1 13 . 1 1 41 41 GLU N N 41 114.752 114.752 115.630 -0.878 17805 5537 1 13 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.089 -0.018 17805 5538 1 13 . 1 1 41 41 GLU C C 41 176.350 176.350 177.408 -1.058 17805 5539 1 13 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.987 0.951 17805 5540 1 13 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.077 -0.253 17805 5541 1 13 . 1 1 41 41 GLU H H 41 9.746 9.746 8.736 1.010 17805 5542 1 13 . 1 1 42 42 ARG N N 42 118.145 118.145 116.872 1.273 17805 5543 1 13 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.429 -0.114 17805 5544 1 13 . 1 1 42 42 ARG C C 42 177.731 177.731 176.457 1.274 17805 5545 1 13 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.759 -1.311 17805 5546 1 13 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.964 -0.859 17805 5547 1 13 . 1 1 42 42 ARG H H 42 7.938 7.938 7.527 0.411 17805 5548 1 13 . 1 1 43 43 GLN N N 43 118.250 118.250 116.091 2.159 17805 5549 1 13 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.638 -0.387 17805 5550 1 13 . 1 1 43 43 GLN C C 43 176.186 176.186 173.924 2.262 17805 5551 1 13 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.202 2.335 17805 5552 1 13 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.168 -1.176 17805 5553 1 13 . 1 1 43 43 GLN H H 43 7.034 7.034 7.584 -0.550 17805 5554 1 13 . 1 1 44 44 LYS N N 44 122.693 122.693 118.742 3.951 17805 5555 1 13 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.687 -0.223 17805 5556 1 13 . 1 1 44 44 LYS C C 44 178.040 178.040 174.422 3.618 17805 5557 1 13 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.767 0.785 17805 5558 1 13 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.877 -0.552 17805 5559 1 13 . 1 1 44 44 LYS H H 44 8.806 8.806 8.114 0.692 17805 5560 1 13 . 1 1 45 45 LEU N N 45 124.806 124.806 122.718 2.088 17805 5561 1 13 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.720 0.223 17805 5562 1 13 . 1 1 45 45 LEU C C 45 176.506 176.506 177.983 -1.477 17805 5563 1 13 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.712 -0.170 17805 5564 1 13 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.161 -0.340 17805 5565 1 13 . 1 1 45 45 LEU H H 45 8.704 8.704 8.735 -0.031 17805 5566 1 13 . 1 1 46 46 LEU N N 46 124.709 124.709 125.577 -0.868 17805 5567 1 13 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.075 0.283 17805 5568 1 13 . 1 1 46 46 LEU C C 46 175.289 175.289 176.592 -1.303 17805 5569 1 13 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.482 -0.723 17805 5570 1 13 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.715 0.811 17805 5571 1 13 . 1 1 46 46 LEU H H 46 8.751 8.751 8.651 0.100 17805 5572 1 13 . 1 1 47 47 GLY N N 47 109.276 109.276 114.120 -4.844 17805 5573 1 13 . 1 1 47 47 GLY C C 47 179.057 179.057 172.515 6.542 17805 5574 1 13 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.424 0.136 17805 5575 1 13 . 1 1 47 47 GLY H H 47 8.300 8.300 8.133 0.167 17805 5576 1 13 . 1 1 48 48 LEU N N 48 119.707 119.707 120.222 -0.515 17805 5577 1 13 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.755 -0.165 17805 5578 1 13 . 1 1 48 48 LEU C C 48 177.598 177.598 175.002 2.596 17805 5579 1 13 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.447 0.498 17805 5580 1 13 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.323 -4.909 17805 5581 1 13 . 1 1 48 48 LEU H H 48 7.581 7.581 8.093 -0.512 17805 5582 1 13 . 1 1 49 49 LYS N N 49 124.527 124.527 121.408 3.119 17805 5583 1 13 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.742 0.110 17805 5584 1 13 . 1 1 49 49 LYS C C 49 178.059 178.059 175.461 2.598 17805 5585 1 13 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.839 0.824 17805 5586 1 13 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.576 4.005 17805 5587 1 13 . 1 1 49 49 LYS H H 49 8.606 8.606 8.198 0.408 17805 5588 1 13 . 1 1 50 50 VAL N N 50 119.184 119.184 123.334 -4.150 17805 5589 1 13 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.455 -0.342 17805 5590 1 13 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.637 1.228 17805 5591 1 13 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.743 0.991 17805 5592 1 13 . 1 1 50 50 VAL H H 50 8.799 8.799 8.489 0.310 17805 5593 1 13 . 1 1 51 51 LYS N N 51 127.069 127.069 127.017 0.052 17805 5594 1 13 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.997 -0.173 17805 5595 1 13 . 1 1 51 51 LYS C C 51 176.418 176.418 176.372 0.046 17805 5596 1 13 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.030 0.377 17805 5597 1 13 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.909 0.746 17805 5598 1 13 . 1 1 51 51 LYS H H 51 9.451 9.451 9.269 0.182 17805 5599 1 13 . 1 1 52 52 GLY N N 52 102.671 102.671 103.349 -0.678 17805 5600 1 13 . 1 1 52 52 GLY C C 52 179.392 179.392 174.553 4.839 17805 5601 1 13 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.097 0.713 17805 5602 1 13 . 1 1 52 52 GLY H H 52 8.512 8.512 8.487 0.025 17805 5603 1 13 . 1 1 53 53 LYS N N 53 121.307 121.307 121.600 -0.293 17805 5604 1 13 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.753 0.076 17805 5605 1 13 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.091 0.525 17805 5606 1 13 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.933 1.007 17805 5607 1 13 . 1 1 53 53 LYS H H 53 7.781 7.781 7.824 -0.043 17805 5608 1 13 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.381 -0.005 17805 5609 1 13 . 1 1 54 54 PRO C C 54 175.954 175.954 176.039 -0.085 17805 5610 1 13 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.731 1.086 17805 5611 1 13 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.872 2.279 17805 5612 1 13 . 1 1 55 55 ALA N N 55 125.654 125.654 122.867 2.787 17805 5613 1 13 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.903 0.235 17805 5614 1 13 . 1 1 55 55 ALA C C 55 175.977 175.977 176.927 -0.950 17805 5615 1 13 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.620 0.045 17805 5616 1 13 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.216 1.828 17805 5617 1 13 . 1 1 55 55 ALA H H 55 8.114 8.114 8.161 -0.047 17805 5618 1 13 . 1 1 56 56 GLU N N 56 122.313 122.313 120.922 1.391 17805 5619 1 13 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.075 0.140 17805 5620 1 13 . 1 1 56 56 GLU C C 56 176.924 176.924 177.940 -1.016 17805 5621 1 13 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.182 -0.093 17805 5622 1 13 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.386 0.701 17805 5623 1 13 . 1 1 56 56 GLU H H 56 8.179 8.179 8.338 -0.159 17805 5624 1 13 . 1 1 57 57 ASN N N 57 115.140 115.140 120.415 -5.275 17805 5625 1 13 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.386 -0.157 17805 5626 1 13 . 1 1 57 57 ASN C C 57 177.457 177.457 176.618 0.839 17805 5627 1 13 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.547 -1.348 17805 5628 1 13 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.529 0.698 17805 5629 1 13 . 1 1 57 57 ASN H H 57 8.504 8.504 8.797 -0.293 17805 5630 1 13 . 1 1 58 58 ASP N N 58 112.832 112.832 116.640 -3.808 17805 5631 1 13 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.573 -0.085 17805 5632 1 13 . 1 1 58 58 ASP C C 58 177.255 177.255 176.140 1.115 17805 5633 1 13 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.221 -0.612 17805 5634 1 13 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.006 -0.702 17805 5635 1 13 . 1 1 58 58 ASP H H 58 8.198 8.198 8.436 -0.238 17805 5636 1 13 . 1 1 59 59 VAL N N 59 122.073 122.073 120.839 1.234 17805 5637 1 13 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.927 -0.334 17805 5638 1 13 . 1 1 59 59 VAL C C 59 177.321 177.321 175.712 1.609 17805 5639 1 13 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.238 0.602 17805 5640 1 13 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.597 -0.275 17805 5641 1 13 . 1 1 59 59 VAL H H 59 7.353 7.353 7.665 -0.312 17805 5642 1 13 . 1 1 60 60 LYS N N 60 125.064 125.064 125.965 -0.901 17805 5643 1 13 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.129 0.318 17805 5644 1 13 . 1 1 60 60 LYS C C 60 174.649 174.649 177.092 -2.443 17805 5645 1 13 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.787 -0.602 17805 5646 1 13 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.651 0.454 17805 5647 1 13 . 1 1 60 60 LYS H H 60 8.339 8.339 8.420 -0.081 17805 5648 1 13 . 1 1 61 61 LEU N N 61 121.612 121.612 121.334 0.278 17805 5649 1 13 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.215 -0.439 17805 5650 1 13 . 1 1 61 61 LEU C C 61 171.906 171.906 179.116 -7.210 17805 5651 1 13 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.069 0.918 17805 5652 1 13 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.958 -0.126 17805 5653 1 13 . 1 1 61 61 LEU H H 61 9.423 9.423 8.467 0.956 17805 5654 1 13 . 1 1 62 62 GLY N N 62 104.008 104.008 105.005 -0.997 17805 5655 1 13 . 1 1 62 62 GLY C C 62 177.869 177.869 175.052 2.817 17805 5656 1 13 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.799 -0.027 17805 5657 1 13 . 1 1 62 62 GLY H H 62 9.107 9.107 7.651 1.456 17805 5658 1 13 . 1 1 63 63 ALA N N 63 122.025 122.025 123.412 -1.387 17805 5659 1 13 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.208 0.065 17805 5660 1 13 . 1 1 63 63 ALA C C 63 174.499 174.499 178.300 -3.801 17805 5661 1 13 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.326 -0.905 17805 5662 1 13 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.793 0.023 17805 5663 1 13 . 1 1 63 63 ALA H H 63 7.755 7.755 8.013 -0.258 17805 5664 1 13 . 1 1 64 64 LEU N N 64 115.454 115.454 113.892 1.562 17805 5665 1 13 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.534 -0.466 17805 5666 1 13 . 1 1 64 64 LEU C C 64 177.197 177.197 177.711 -0.514 17805 5667 1 13 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.293 0.274 17805 5668 1 13 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.354 -0.218 17805 5669 1 13 . 1 1 64 64 LEU H H 64 7.214 7.214 7.511 -0.297 17805 5670 1 13 . 1 1 65 65 LYS N N 65 114.830 114.830 118.640 -3.810 17805 5671 1 13 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.059 -0.221 17805 5672 1 13 . 1 1 65 65 LYS C C 65 177.061 177.061 176.893 0.168 17805 5673 1 13 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.562 -1.825 17805 5674 1 13 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.035 -3.728 17805 5675 1 13 . 1 1 65 65 LYS H H 65 7.642 7.642 7.998 -0.356 17805 5676 1 13 . 1 1 66 66 LEU N N 66 119.305 119.305 111.419 7.886 17805 5677 1 13 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.552 -0.389 17805 5678 1 13 . 1 1 66 66 LEU C C 66 175.393 175.393 175.734 -0.341 17805 5679 1 13 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.553 0.294 17805 5680 1 13 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.575 0.137 17805 5681 1 13 . 1 1 66 66 LEU H H 66 8.516 8.516 7.501 1.015 17805 5682 1 13 . 1 1 67 67 LYS N N 67 121.480 121.480 120.518 0.962 17805 5683 1 13 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.608 -0.111 17805 5684 1 13 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.134 -1.982 17805 5685 1 13 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.658 0.341 17805 5686 1 13 . 1 1 67 67 LYS H H 67 7.955 7.955 8.386 -0.431 17805 5687 1 13 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.285 -0.116 17805 5688 1 13 . 1 1 68 68 PRO C C 68 176.609 176.609 177.705 -1.096 17805 5689 1 13 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.419 -1.030 17805 5690 1 13 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.065 0.149 17805 5691 1 13 . 1 1 69 69 ASN N N 69 115.414 115.414 115.833 -0.419 17805 5692 1 13 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.385 -0.423 17805 5693 1 13 . 1 1 69 69 ASN C C 69 178.824 178.824 175.569 3.255 17805 5694 1 13 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.128 -0.107 17805 5695 1 13 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.545 -0.498 17805 5696 1 13 . 1 1 69 69 ASN H H 69 8.966 8.966 8.529 0.437 17805 5697 1 13 . 1 1 70 70 THR N N 70 115.426 115.426 115.349 0.077 17805 5698 1 13 . 1 1 70 70 THR HA H 70 3.949 3.949 4.422 -0.473 17805 5699 1 13 . 1 1 70 70 THR C C 70 180.592 180.592 174.137 6.455 17805 5700 1 13 . 1 1 70 70 THR CA C 70 65.247 65.247 62.294 2.953 17805 5701 1 13 . 1 1 70 70 THR CB C 70 70.132 70.132 69.950 0.182 17805 5702 1 13 . 1 1 70 70 THR H H 70 7.712 7.712 7.600 0.112 17805 5703 1 13 . 1 1 71 71 LYS N N 71 124.603 124.603 123.738 0.865 17805 5704 1 13 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.834 0.345 17805 5705 1 13 . 1 1 71 71 LYS C C 71 177.157 177.157 175.615 1.542 17805 5706 1 13 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.071 0.269 17805 5707 1 13 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.003 -0.274 17805 5708 1 13 . 1 1 71 71 LYS H H 71 8.284 8.284 8.267 0.017 17805 5709 1 13 . 1 1 72 72 ILE N N 72 123.505 123.505 119.647 3.858 17805 5710 1 13 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.523 -0.012 17805 5711 1 13 . 1 1 72 72 ILE C C 72 178.360 178.360 174.845 3.515 17805 5712 1 13 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.475 0.161 17805 5713 1 13 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.891 -0.064 17805 5714 1 13 . 1 1 72 72 ILE H H 72 9.142 9.142 8.866 0.276 17805 5715 1 13 . 1 1 73 73 MET N N 73 123.090 123.090 121.316 1.774 17805 5716 1 13 . 1 1 73 73 MET HA H 73 5.122 5.122 4.942 0.180 17805 5717 1 13 . 1 1 73 73 MET C C 73 179.095 179.095 175.387 3.708 17805 5718 1 13 . 1 1 73 73 MET CA C 73 54.949 54.949 55.068 -0.119 17805 5719 1 13 . 1 1 73 73 MET CB C 73 35.143 35.143 35.487 -0.344 17805 5720 1 13 . 1 1 73 73 MET H H 73 8.556 8.556 8.847 -0.291 17805 5721 1 13 . 1 1 74 74 MET N N 74 124.481 124.481 122.389 2.092 17805 5722 1 13 . 1 1 74 74 MET HA H 74 5.288 5.288 4.705 0.583 17805 5723 1 13 . 1 1 74 74 MET C C 74 178.476 178.476 175.278 3.198 17805 5724 1 13 . 1 1 74 74 MET CA C 74 54.862 54.862 55.213 -0.351 17805 5725 1 13 . 1 1 74 74 MET CB C 74 36.294 36.294 33.996 2.298 17805 5726 1 13 . 1 1 74 74 MET H H 74 8.924 8.924 8.960 -0.036 17805 5727 1 13 . 1 1 75 75 MET N N 75 123.963 123.963 124.915 -0.952 17805 5728 1 13 . 1 1 75 75 MET HA H 75 5.093 5.093 4.830 0.263 17805 5729 1 13 . 1 1 75 75 MET C C 75 177.842 177.842 174.945 2.897 17805 5730 1 13 . 1 1 75 75 MET CA C 75 54.265 54.265 54.481 -0.216 17805 5731 1 13 . 1 1 75 75 MET CB C 75 35.566 35.566 32.861 2.705 17805 5732 1 13 . 1 1 75 75 MET H H 75 9.112 9.112 8.086 1.026 17805 5733 1 13 . 1 1 76 76 GLY N N 76 109.773 109.773 111.106 -1.333 17805 5734 1 13 . 1 1 76 76 GLY C C 76 180.165 180.165 172.545 7.620 17805 5735 1 13 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.437 0.464 17805 5736 1 13 . 1 1 76 76 GLY H H 76 8.711 8.711 8.258 0.453 17805 5737 1 13 . 1 1 77 77 THR N N 77 113.345 113.345 113.559 -0.214 17805 5738 1 13 . 1 1 77 77 THR HA H 77 4.787 4.787 4.841 -0.054 17805 5739 1 13 . 1 1 77 77 THR C C 77 178.955 178.955 173.401 5.554 17805 5740 1 13 . 1 1 77 77 THR CA C 77 60.728 60.728 60.385 0.344 17805 5741 1 13 . 1 1 77 77 THR CB C 77 71.481 71.481 71.172 0.309 17805 5742 1 13 . 1 1 77 77 THR H H 77 8.280 8.280 8.013 0.267 17805 5743 1 13 . 1 1 78 78 ARG N N 78 122.844 122.844 121.597 1.247 17805 5744 1 13 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.504 -0.356 17805 5745 1 13 . 1 1 78 78 ARG C C 78 177.011 177.011 175.504 1.507 17805 5746 1 13 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.566 2.315 17805 5747 1 13 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.572 0.035 17805 5748 1 13 . 1 1 78 78 ARG H H 78 8.852 8.852 8.652 0.200 17805 5749 1 13 . 1 1 79 79 GLU N N 79 122.181 122.181 121.099 1.082 17805 5750 1 13 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.561 -0.355 17805 5751 1 13 . 1 1 79 79 GLU C C 79 176.784 176.784 175.371 1.413 17805 5752 1 13 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.590 1.417 17805 5753 1 13 . 1 1 79 79 GLU CB C 79 30.764 30.764 31.731 -0.967 17805 5754 1 13 . 1 1 79 79 GLU H H 79 8.300 8.300 8.583 -0.283 17805 5755 1 13 . 1 1 80 80 GLU N N 80 126.965 126.965 119.997 6.968 17805 5756 1 13 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.591 -0.542 17805 5757 1 13 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.679 2.649 17805 5758 1 13 . 1 1 80 80 GLU CB C 80 31.287 31.287 31.506 -0.219 17805 5759 1 13 . 1 1 80 80 GLU H H 80 8.015 8.015 8.120 -0.105 17805 5760 1 14 . 1 1 2 2 ALA N N 2 126.014 126.014 125.765 0.249 17805 5761 1 14 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.283 -0.250 17805 5762 1 14 . 1 1 2 2 ALA C C 2 176.202 176.202 176.873 -0.671 17805 5763 1 14 . 1 1 2 2 ALA CA C 2 53.215 53.215 52.005 1.210 17805 5764 1 14 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.127 0.249 17805 5765 1 14 . 1 1 2 2 ALA H H 2 8.410 8.410 8.347 0.063 17805 5766 1 14 . 1 1 3 3 LEU N N 3 123.255 123.255 125.214 -1.959 17805 5767 1 14 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.561 0.085 17805 5768 1 14 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.739 0.078 17805 5769 1 14 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.801 0.756 17805 5770 1 14 . 1 1 3 3 LEU H H 3 8.271 8.271 8.342 -0.071 17805 5771 1 14 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.756 -0.150 17805 5772 1 14 . 1 1 4 4 PRO C C 4 179.796 179.796 175.592 4.204 17805 5773 1 14 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.309 0.931 17805 5774 1 14 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.901 -0.831 17805 5775 1 14 . 1 1 5 5 ILE N N 5 122.161 122.161 117.704 4.457 17805 5776 1 14 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.788 -0.429 17805 5777 1 14 . 1 1 5 5 ILE C C 5 179.202 179.202 175.555 3.647 17805 5778 1 14 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.222 0.611 17805 5779 1 14 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.409 1.534 17805 5780 1 14 . 1 1 5 5 ILE H H 5 8.317 8.317 7.779 0.538 17805 5781 1 14 . 1 1 6 6 ILE N N 6 125.649 125.649 127.912 -2.263 17805 5782 1 14 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.517 0.404 17805 5783 1 14 . 1 1 6 6 ILE C C 6 178.393 178.393 175.016 3.377 17805 5784 1 14 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.924 -1.059 17805 5785 1 14 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.420 0.844 17805 5786 1 14 . 1 1 6 6 ILE H H 6 8.408 8.408 8.140 0.268 17805 5787 1 14 . 1 1 7 7 VAL N N 7 125.741 125.741 126.487 -0.746 17805 5788 1 14 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.824 0.106 17805 5789 1 14 . 1 1 7 7 VAL C C 7 178.215 178.215 174.821 3.394 17805 5790 1 14 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.609 -0.246 17805 5791 1 14 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.620 0.139 17805 5792 1 14 . 1 1 7 7 VAL H H 7 9.155 9.155 9.006 0.149 17805 5793 1 14 . 1 1 8 8 LYS N N 8 128.098 128.098 126.060 2.038 17805 5794 1 14 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.325 -0.093 17805 5795 1 14 . 1 1 8 8 LYS C C 8 178.353 178.353 174.408 3.945 17805 5796 1 14 . 1 1 8 8 LYS CA C 8 55.275 55.275 55.078 0.197 17805 5797 1 14 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.353 -0.418 17805 5798 1 14 . 1 1 8 8 LYS H H 8 9.174 9.174 8.963 0.211 17805 5799 1 14 . 1 1 9 9 TRP N N 9 125.952 125.952 128.181 -2.229 17805 5800 1 14 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.120 0.065 17805 5801 1 14 . 1 1 9 9 TRP C C 9 176.432 176.432 175.795 0.637 17805 5802 1 14 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.747 0.987 17805 5803 1 14 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.216 -1.655 17805 5804 1 14 . 1 1 9 9 TRP H H 9 8.844 8.844 8.535 0.309 17805 5805 1 14 . 1 1 10 10 GLY N N 10 117.044 117.044 114.272 2.772 17805 5806 1 14 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.477 1.624 17805 5807 1 14 . 1 1 10 10 GLY H H 10 8.683 8.683 8.630 0.053 17805 5808 1 14 . 1 1 11 11 GLY N N 11 109.364 109.364 105.349 4.015 17805 5809 1 14 . 1 1 11 11 GLY C C 11 179.353 179.353 174.982 4.371 17805 5810 1 14 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.077 0.383 17805 5811 1 14 . 1 1 11 11 GLY H H 11 8.600 8.600 8.387 0.213 17805 5812 1 14 . 1 1 12 12 GLN N N 12 119.388 119.388 119.884 -0.496 17805 5813 1 14 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.316 0.167 17805 5814 1 14 . 1 1 12 12 GLN C C 12 179.098 179.098 174.899 4.199 17805 5815 1 14 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.411 0.091 17805 5816 1 14 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.825 2.353 17805 5817 1 14 . 1 1 12 12 GLN H H 12 7.865 7.865 7.955 -0.090 17805 5818 1 14 . 1 1 13 13 GLU N N 13 119.756 119.756 119.489 0.267 17805 5819 1 14 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.119 -0.239 17805 5820 1 14 . 1 1 13 13 GLU C C 13 177.641 177.641 175.377 2.264 17805 5821 1 14 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.247 0.408 17805 5822 1 14 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.224 0.082 17805 5823 1 14 . 1 1 13 13 GLU H H 13 8.172 8.172 8.158 0.014 17805 5824 1 14 . 1 1 14 14 TYR N N 14 122.812 122.812 124.638 -1.826 17805 5825 1 14 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.876 -0.275 17805 5826 1 14 . 1 1 14 14 TYR C C 14 177.990 177.990 174.731 3.259 17805 5827 1 14 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.820 0.426 17805 5828 1 14 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.886 -0.342 17805 5829 1 14 . 1 1 14 14 TYR H H 14 9.381 9.381 9.008 0.373 17805 5830 1 14 . 1 1 15 15 SER N N 15 118.339 118.339 117.916 0.423 17805 5831 1 14 . 1 1 15 15 SER HA H 15 4.747 4.747 5.428 -0.681 17805 5832 1 14 . 1 1 15 15 SER C C 15 178.924 178.924 173.998 4.926 17805 5833 1 14 . 1 1 15 15 SER CA C 15 58.099 58.099 56.372 1.727 17805 5834 1 14 . 1 1 15 15 SER CB C 15 63.394 63.394 64.526 -1.132 17805 5835 1 14 . 1 1 15 15 SER H H 15 8.802 8.802 8.794 0.008 17805 5836 1 14 . 1 1 16 16 VAL N N 16 128.611 128.611 123.358 5.253 17805 5837 1 14 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.520 -0.315 17805 5838 1 14 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.555 1.789 17805 5839 1 14 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.206 -1.678 17805 5840 1 14 . 1 1 16 16 VAL H H 16 9.005 9.005 8.473 0.532 17805 5841 1 14 . 1 1 17 17 THR N N 17 116.170 116.170 116.062 0.108 17805 5842 1 14 . 1 1 17 17 THR HA H 17 4.533 4.533 4.521 0.012 17805 5843 1 14 . 1 1 17 17 THR C C 17 177.649 177.649 173.814 3.835 17805 5844 1 14 . 1 1 17 17 THR CA C 17 62.331 62.331 62.219 0.112 17805 5845 1 14 . 1 1 17 17 THR CB C 17 70.040 70.040 68.786 1.254 17805 5846 1 14 . 1 1 17 17 THR H H 17 8.746 8.746 8.342 0.404 17805 5847 1 14 . 1 1 18 18 THR N N 18 107.517 107.517 114.595 -7.078 17805 5848 1 14 . 1 1 18 18 THR HA H 18 4.173 4.173 4.270 -0.097 17805 5849 1 14 . 1 1 18 18 THR C C 18 178.498 178.498 173.428 5.070 17805 5850 1 14 . 1 1 18 18 THR CA C 18 61.772 61.772 62.772 -1.000 17805 5851 1 14 . 1 1 18 18 THR CB C 18 69.121 69.121 69.159 -0.038 17805 5852 1 14 . 1 1 18 18 THR H H 18 6.812 6.812 7.948 -1.136 17805 5853 1 14 . 1 1 19 19 LEU N N 19 123.019 123.019 117.187 5.832 17805 5854 1 14 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.713 -0.130 17805 5855 1 14 . 1 1 19 19 LEU C C 19 177.299 177.299 174.784 2.515 17805 5856 1 14 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.558 1.622 17805 5857 1 14 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.733 -2.022 17805 5858 1 14 . 1 1 19 19 LEU H H 19 8.388 8.388 7.159 1.229 17805 5859 1 14 . 1 1 20 20 SER N N 20 117.870 117.870 113.004 4.866 17805 5860 1 14 . 1 1 20 20 SER HA H 20 4.863 4.863 5.074 -0.211 17805 5861 1 14 . 1 1 20 20 SER C C 20 177.249 177.249 175.611 1.638 17805 5862 1 14 . 1 1 20 20 SER CA C 20 56.832 56.832 56.211 0.621 17805 5863 1 14 . 1 1 20 20 SER CB C 20 67.845 67.845 66.702 1.143 17805 5864 1 14 . 1 1 20 20 SER H H 20 9.714 9.714 8.073 1.641 17805 5865 1 14 . 1 1 21 21 GLU N N 21 116.130 116.130 123.141 -7.011 17805 5866 1 14 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.901 -0.161 17805 5867 1 14 . 1 1 21 21 GLU C C 21 176.555 176.555 176.585 -0.030 17805 5868 1 14 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.633 -0.499 17805 5869 1 14 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.225 1.629 17805 5870 1 14 . 1 1 21 21 GLU H H 21 8.491 8.491 8.944 -0.453 17805 5871 1 14 . 1 1 22 22 ASP N N 22 115.741 115.741 116.486 -0.745 17805 5872 1 14 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.509 0.141 17805 5873 1 14 . 1 1 22 22 ASP C C 22 176.555 176.555 176.424 0.131 17805 5874 1 14 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.674 -0.518 17805 5875 1 14 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.712 1.867 17805 5876 1 14 . 1 1 22 22 ASP H H 22 7.936 7.936 7.921 0.015 17805 5877 1 14 . 1 1 23 23 ASP N N 23 119.945 119.945 119.617 0.328 17805 5878 1 14 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.586 0.255 17805 5879 1 14 . 1 1 23 23 ASP C C 23 178.264 178.264 175.668 2.596 17805 5880 1 14 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.170 -0.947 17805 5881 1 14 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.803 -0.021 17805 5882 1 14 . 1 1 23 23 ASP H H 23 7.313 7.313 8.161 -0.848 17805 5883 1 14 . 1 1 24 24 THR N N 24 107.918 107.918 106.571 1.347 17805 5884 1 14 . 1 1 24 24 THR HA H 24 5.328 5.328 4.467 0.861 17805 5885 1 14 . 1 1 24 24 THR C C 24 176.363 176.363 174.147 2.216 17805 5886 1 14 . 1 1 24 24 THR CA C 24 60.989 60.989 61.566 -0.577 17805 5887 1 14 . 1 1 24 24 THR CB C 24 74.287 74.287 70.941 3.346 17805 5888 1 14 . 1 1 24 24 THR H H 24 9.630 9.630 7.486 2.144 17805 5889 1 14 . 1 1 25 25 VAL N N 25 120.192 120.192 123.625 -3.433 17805 5890 1 14 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.610 -0.276 17805 5891 1 14 . 1 1 25 25 VAL C C 25 175.092 175.092 177.163 -2.071 17805 5892 1 14 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.374 0.252 17805 5893 1 14 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.031 0.118 17805 5894 1 14 . 1 1 25 25 VAL H H 25 8.260 8.260 8.905 -0.645 17805 5895 1 14 . 1 1 26 26 LEU N N 26 119.941 119.941 118.571 1.370 17805 5896 1 14 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.014 -0.142 17805 5897 1 14 . 1 1 26 26 LEU C C 26 174.996 174.996 178.195 -3.199 17805 5898 1 14 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.104 0.488 17805 5899 1 14 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.286 0.430 17805 5900 1 14 . 1 1 26 26 LEU H H 26 8.523 8.523 8.238 0.285 17805 5901 1 14 . 1 1 27 27 ASP N N 27 118.322 118.322 120.004 -1.682 17805 5902 1 14 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.441 -0.168 17805 5903 1 14 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.038 1.625 17805 5904 1 14 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.066 -0.135 17805 5905 1 14 . 1 1 27 27 ASP H H 27 7.581 7.581 8.097 -0.516 17805 5906 1 14 . 1 1 28 28 LEU N N 28 122.021 122.021 121.692 0.329 17805 5907 1 14 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.162 -0.079 17805 5908 1 14 . 1 1 28 28 LEU C C 28 175.514 175.514 178.634 -3.120 17805 5909 1 14 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.000 0.772 17805 5910 1 14 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.281 -1.056 17805 5911 1 14 . 1 1 28 28 LEU H H 28 7.837 7.837 8.058 -0.221 17805 5912 1 14 . 1 1 29 29 LYS N N 29 119.086 119.086 119.238 -0.152 17805 5913 1 14 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.888 0.632 17805 5914 1 14 . 1 1 29 29 LYS C C 29 172.261 172.261 178.735 -6.474 17805 5915 1 14 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.905 -0.118 17805 5916 1 14 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.837 2.460 17805 5917 1 14 . 1 1 29 29 LYS H H 29 8.467 8.467 8.712 -0.245 17805 5918 1 14 . 1 1 30 30 GLN N N 30 119.268 119.268 118.303 0.965 17805 5919 1 14 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.029 -0.097 17805 5920 1 14 . 1 1 30 30 GLN C C 30 174.240 174.240 178.412 -4.172 17805 5921 1 14 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.507 1.156 17805 5922 1 14 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.050 -0.244 17805 5923 1 14 . 1 1 30 30 GLN H H 30 9.049 9.049 7.833 1.216 17805 5924 1 14 . 1 1 31 31 PHE N N 31 121.690 121.690 120.823 0.867 17805 5925 1 14 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.217 0.001 17805 5926 1 14 . 1 1 31 31 PHE C C 31 173.970 173.970 177.550 -3.580 17805 5927 1 14 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.166 0.801 17805 5928 1 14 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.429 -0.055 17805 5929 1 14 . 1 1 31 31 PHE H H 31 8.039 8.039 7.797 0.242 17805 5930 1 14 . 1 1 32 32 LEU N N 32 118.232 118.232 117.260 0.972 17805 5931 1 14 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.998 -0.361 17805 5932 1 14 . 1 1 32 32 LEU C C 32 172.367 172.367 178.278 -5.911 17805 5933 1 14 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.999 -0.291 17805 5934 1 14 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.922 0.347 17805 5935 1 14 . 1 1 32 32 LEU H H 32 8.776 8.776 8.290 0.486 17805 5936 1 14 . 1 1 33 33 LYS N N 33 125.920 125.920 119.888 6.032 17805 5937 1 14 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.077 -0.275 17805 5938 1 14 . 1 1 33 33 LYS C C 33 173.820 173.820 178.644 -4.824 17805 5939 1 14 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.577 1.539 17805 5940 1 14 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.227 0.474 17805 5941 1 14 . 1 1 33 33 LYS H H 33 8.237 8.237 8.449 -0.212 17805 5942 1 14 . 1 1 34 34 THR N N 34 114.544 114.544 113.738 0.806 17805 5943 1 14 . 1 1 34 34 THR HA H 34 3.773 3.773 4.053 -0.280 17805 5944 1 14 . 1 1 34 34 THR C C 34 177.649 177.649 175.597 2.052 17805 5945 1 14 . 1 1 34 34 THR CA C 34 65.749 65.749 64.802 0.947 17805 5946 1 14 . 1 1 34 34 THR CB C 34 68.620 68.620 68.625 -0.005 17805 5947 1 14 . 1 1 34 34 THR H H 34 7.281 7.281 7.472 -0.191 17805 5948 1 14 . 1 1 35 35 LEU N N 35 117.590 117.590 118.063 -0.473 17805 5949 1 14 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.237 -0.219 17805 5950 1 14 . 1 1 35 35 LEU C C 35 175.105 175.105 176.912 -1.807 17805 5951 1 14 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.709 1.306 17805 5952 1 14 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.698 1.305 17805 5953 1 14 . 1 1 35 35 LEU H H 35 6.752 6.752 7.294 -0.542 17805 5954 1 14 . 1 1 36 36 THR N N 36 104.865 104.865 106.083 -1.218 17805 5955 1 14 . 1 1 36 36 THR HA H 36 3.967 3.967 4.314 -0.347 17805 5956 1 14 . 1 1 36 36 THR C C 36 178.094 178.094 176.142 1.952 17805 5957 1 14 . 1 1 36 36 THR CA C 36 62.756 62.756 62.465 0.291 17805 5958 1 14 . 1 1 36 36 THR CB C 36 72.343 72.343 70.794 1.549 17805 5959 1 14 . 1 1 36 36 THR H H 36 7.675 7.675 7.633 0.042 17805 5960 1 14 . 1 1 37 37 GLY N N 37 109.795 109.795 110.310 -0.515 17805 5961 1 14 . 1 1 37 37 GLY C C 37 179.368 179.368 173.428 5.940 17805 5962 1 14 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.764 -0.205 17805 5963 1 14 . 1 1 37 37 GLY H H 37 7.971 7.971 8.460 -0.489 17805 5964 1 14 . 1 1 38 38 VAL N N 38 122.557 122.557 122.414 0.143 17805 5965 1 14 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.413 -0.775 17805 5966 1 14 . 1 1 38 38 VAL C C 38 177.289 177.289 173.967 3.322 17805 5967 1 14 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.332 2.105 17805 5968 1 14 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.124 -1.734 17805 5969 1 14 . 1 1 38 38 VAL H H 38 7.533 7.533 7.230 0.303 17805 5970 1 14 . 1 1 39 39 LEU N N 39 127.828 127.828 124.184 3.644 17805 5971 1 14 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.911 -0.917 17805 5972 1 14 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.038 3.399 17805 5973 1 14 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.281 0.276 17805 5974 1 14 . 1 1 39 39 LEU H H 39 8.634 8.634 8.336 0.298 17805 5975 1 14 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.565 -0.726 17805 5976 1 14 . 1 1 40 40 PRO C C 40 174.857 174.857 177.350 -2.493 17805 5977 1 14 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.651 2.338 17805 5978 1 14 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.925 0.397 17805 5979 1 14 . 1 1 41 41 GLU N N 41 114.752 114.752 115.480 -0.728 17805 5980 1 14 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.092 -0.021 17805 5981 1 14 . 1 1 41 41 GLU C C 41 176.350 176.350 177.446 -1.096 17805 5982 1 14 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.967 0.971 17805 5983 1 14 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.094 -0.270 17805 5984 1 14 . 1 1 41 41 GLU H H 41 9.746 9.746 8.733 1.013 17805 5985 1 14 . 1 1 42 42 ARG N N 42 118.145 118.145 116.888 1.257 17805 5986 1 14 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.431 -0.116 17805 5987 1 14 . 1 1 42 42 ARG C C 42 177.731 177.731 176.446 1.285 17805 5988 1 14 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.704 -1.256 17805 5989 1 14 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.941 -0.836 17805 5990 1 14 . 1 1 42 42 ARG H H 42 7.938 7.938 7.533 0.405 17805 5991 1 14 . 1 1 43 43 GLN N N 43 118.250 118.250 115.989 2.261 17805 5992 1 14 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.627 -0.376 17805 5993 1 14 . 1 1 43 43 GLN C C 43 176.186 176.186 173.923 2.263 17805 5994 1 14 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.225 2.312 17805 5995 1 14 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.134 -1.142 17805 5996 1 14 . 1 1 43 43 GLN H H 43 7.034 7.034 7.589 -0.555 17805 5997 1 14 . 1 1 44 44 LYS N N 44 122.693 122.693 118.661 4.032 17805 5998 1 14 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.692 -0.228 17805 5999 1 14 . 1 1 44 44 LYS C C 44 178.040 178.040 174.466 3.574 17805 6000 1 14 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.829 0.723 17805 6001 1 14 . 1 1 44 44 LYS CB C 44 34.325 34.325 35.054 -0.729 17805 6002 1 14 . 1 1 44 44 LYS H H 44 8.806 8.806 8.055 0.751 17805 6003 1 14 . 1 1 45 45 LEU N N 45 124.806 124.806 122.927 1.879 17805 6004 1 14 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.800 0.143 17805 6005 1 14 . 1 1 45 45 LEU C C 45 176.506 176.506 177.706 -1.200 17805 6006 1 14 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.389 0.153 17805 6007 1 14 . 1 1 45 45 LEU CB C 45 41.821 41.821 43.393 -1.572 17805 6008 1 14 . 1 1 45 45 LEU H H 45 8.704 8.704 8.630 0.074 17805 6009 1 14 . 1 1 46 46 LEU N N 46 124.709 124.709 124.665 0.044 17805 6010 1 14 . 1 1 46 46 LEU HA H 46 4.358 4.358 3.955 0.403 17805 6011 1 14 . 1 1 46 46 LEU C C 46 175.289 175.289 176.902 -1.613 17805 6012 1 14 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.056 -1.297 17805 6013 1 14 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.178 0.348 17805 6014 1 14 . 1 1 46 46 LEU H H 46 8.751 8.751 8.602 0.149 17805 6015 1 14 . 1 1 47 47 GLY N N 47 109.276 109.276 112.424 -3.148 17805 6016 1 14 . 1 1 47 47 GLY C C 47 179.057 179.057 172.592 6.465 17805 6017 1 14 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.431 0.129 17805 6018 1 14 . 1 1 47 47 GLY H H 47 8.300 8.300 8.325 -0.025 17805 6019 1 14 . 1 1 48 48 LEU N N 48 119.707 119.707 119.925 -0.218 17805 6020 1 14 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.619 -0.029 17805 6021 1 14 . 1 1 48 48 LEU C C 48 177.598 177.598 174.663 2.935 17805 6022 1 14 . 1 1 48 48 LEU CA C 48 53.945 53.945 54.318 -0.373 17805 6023 1 14 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.858 -4.444 17805 6024 1 14 . 1 1 48 48 LEU H H 48 7.581 7.581 8.187 -0.606 17805 6025 1 14 . 1 1 49 49 LYS N N 49 124.527 124.527 120.238 4.289 17805 6026 1 14 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.914 -0.062 17805 6027 1 14 . 1 1 49 49 LYS C C 49 178.059 178.059 175.223 2.836 17805 6028 1 14 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.729 0.934 17805 6029 1 14 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.892 3.689 17805 6030 1 14 . 1 1 49 49 LYS H H 49 8.606 8.606 8.147 0.459 17805 6031 1 14 . 1 1 50 50 VAL N N 50 119.184 119.184 122.736 -3.552 17805 6032 1 14 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.456 -0.343 17805 6033 1 14 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.441 1.424 17805 6034 1 14 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.853 0.881 17805 6035 1 14 . 1 1 50 50 VAL H H 50 8.799 8.799 8.545 0.254 17805 6036 1 14 . 1 1 51 51 LYS N N 51 127.069 127.069 126.709 0.360 17805 6037 1 14 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.965 -0.141 17805 6038 1 14 . 1 1 51 51 LYS C C 51 176.418 176.418 176.274 0.144 17805 6039 1 14 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.994 0.413 17805 6040 1 14 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.251 0.404 17805 6041 1 14 . 1 1 51 51 LYS H H 51 9.451 9.451 9.271 0.180 17805 6042 1 14 . 1 1 52 52 GLY N N 52 102.671 102.671 102.605 0.066 17805 6043 1 14 . 1 1 52 52 GLY C C 52 179.392 179.392 174.572 4.820 17805 6044 1 14 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.058 0.752 17805 6045 1 14 . 1 1 52 52 GLY H H 52 8.512 8.512 8.447 0.065 17805 6046 1 14 . 1 1 53 53 LYS N N 53 121.307 121.307 121.606 -0.299 17805 6047 1 14 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.715 0.114 17805 6048 1 14 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.076 0.540 17805 6049 1 14 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.366 0.574 17805 6050 1 14 . 1 1 53 53 LYS H H 53 7.781 7.781 7.887 -0.106 17805 6051 1 14 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.383 -0.007 17805 6052 1 14 . 1 1 54 54 PRO C C 54 175.954 175.954 176.059 -0.105 17805 6053 1 14 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.733 1.084 17805 6054 1 14 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.909 2.242 17805 6055 1 14 . 1 1 55 55 ALA N N 55 125.654 125.654 123.051 2.603 17805 6056 1 14 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.901 0.237 17805 6057 1 14 . 1 1 55 55 ALA C C 55 175.977 175.977 177.009 -1.032 17805 6058 1 14 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.603 0.061 17805 6059 1 14 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.273 1.771 17805 6060 1 14 . 1 1 55 55 ALA H H 55 8.114 8.114 8.182 -0.068 17805 6061 1 14 . 1 1 56 56 GLU N N 56 122.313 122.313 120.940 1.373 17805 6062 1 14 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.061 0.154 17805 6063 1 14 . 1 1 56 56 GLU C C 56 176.924 176.924 178.006 -1.082 17805 6064 1 14 . 1 1 56 56 GLU CA C 56 56.089 56.089 55.778 0.312 17805 6065 1 14 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.323 0.763 17805 6066 1 14 . 1 1 56 56 GLU H H 56 8.179 8.179 8.372 -0.193 17805 6067 1 14 . 1 1 57 57 ASN N N 57 115.140 115.140 119.703 -4.563 17805 6068 1 14 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.423 -0.194 17805 6069 1 14 . 1 1 57 57 ASN C C 57 177.457 177.457 176.720 0.737 17805 6070 1 14 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.354 -1.155 17805 6071 1 14 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.212 1.015 17805 6072 1 14 . 1 1 57 57 ASN H H 57 8.504 8.504 8.766 -0.262 17805 6073 1 14 . 1 1 58 58 ASP N N 58 112.832 112.832 117.589 -4.757 17805 6074 1 14 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.560 -0.072 17805 6075 1 14 . 1 1 58 58 ASP C C 58 177.255 177.255 175.778 1.477 17805 6076 1 14 . 1 1 58 58 ASP CA C 58 53.608 53.608 53.997 -0.389 17805 6077 1 14 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.903 -0.599 17805 6078 1 14 . 1 1 58 58 ASP H H 58 8.198 8.198 8.507 -0.309 17805 6079 1 14 . 1 1 59 59 VAL N N 59 122.073 122.073 121.187 0.886 17805 6080 1 14 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.940 -0.347 17805 6081 1 14 . 1 1 59 59 VAL C C 59 177.321 177.321 176.065 1.256 17805 6082 1 14 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.203 0.637 17805 6083 1 14 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.132 0.190 17805 6084 1 14 . 1 1 59 59 VAL H H 59 7.353 7.353 7.303 0.050 17805 6085 1 14 . 1 1 60 60 LYS N N 60 125.064 125.064 126.324 -1.260 17805 6086 1 14 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.116 0.331 17805 6087 1 14 . 1 1 60 60 LYS C C 60 174.649 174.649 177.274 -2.625 17805 6088 1 14 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.959 -0.774 17805 6089 1 14 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.646 0.459 17805 6090 1 14 . 1 1 60 60 LYS H H 60 8.339 8.339 8.537 -0.198 17805 6091 1 14 . 1 1 61 61 LEU N N 61 121.612 121.612 121.100 0.512 17805 6092 1 14 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.249 -0.473 17805 6093 1 14 . 1 1 61 61 LEU C C 61 171.906 171.906 179.128 -7.222 17805 6094 1 14 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.957 1.030 17805 6095 1 14 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.967 -0.135 17805 6096 1 14 . 1 1 61 61 LEU H H 61 9.423 9.423 8.533 0.890 17805 6097 1 14 . 1 1 62 62 GLY N N 62 104.008 104.008 105.181 -1.173 17805 6098 1 14 . 1 1 62 62 GLY C C 62 177.869 177.869 175.065 2.804 17805 6099 1 14 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.843 -0.071 17805 6100 1 14 . 1 1 62 62 GLY H H 62 9.107 9.107 7.608 1.499 17805 6101 1 14 . 1 1 63 63 ALA N N 63 122.025 122.025 123.360 -1.335 17805 6102 1 14 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.116 0.157 17805 6103 1 14 . 1 1 63 63 ALA C C 63 174.499 174.499 178.182 -3.683 17805 6104 1 14 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.211 -0.790 17805 6105 1 14 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.894 -0.078 17805 6106 1 14 . 1 1 63 63 ALA H H 63 7.755 7.755 8.083 -0.328 17805 6107 1 14 . 1 1 64 64 LEU N N 64 115.454 115.454 113.929 1.525 17805 6108 1 14 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.532 -0.464 17805 6109 1 14 . 1 1 64 64 LEU C C 64 177.197 177.197 177.694 -0.497 17805 6110 1 14 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.333 0.234 17805 6111 1 14 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.319 -0.183 17805 6112 1 14 . 1 1 64 64 LEU H H 64 7.214 7.214 7.501 -0.287 17805 6113 1 14 . 1 1 65 65 LYS N N 65 114.830 114.830 118.593 -3.763 17805 6114 1 14 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.060 -0.222 17805 6115 1 14 . 1 1 65 65 LYS C C 65 177.061 177.061 176.863 0.198 17805 6116 1 14 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.677 -1.940 17805 6117 1 14 . 1 1 65 65 LYS CB C 65 29.307 29.307 32.992 -3.685 17805 6118 1 14 . 1 1 65 65 LYS H H 65 7.642 7.642 7.993 -0.351 17805 6119 1 14 . 1 1 66 66 LEU N N 66 119.305 119.305 111.191 8.114 17805 6120 1 14 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.552 -0.389 17805 6121 1 14 . 1 1 66 66 LEU C C 66 175.393 175.393 175.786 -0.393 17805 6122 1 14 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.561 0.286 17805 6123 1 14 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.611 0.101 17805 6124 1 14 . 1 1 66 66 LEU H H 66 8.516 8.516 7.468 1.048 17805 6125 1 14 . 1 1 67 67 LYS N N 67 121.480 121.480 120.669 0.811 17805 6126 1 14 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.529 -0.032 17805 6127 1 14 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.083 -1.931 17805 6128 1 14 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.545 0.454 17805 6129 1 14 . 1 1 67 67 LYS H H 67 7.955 7.955 8.391 -0.436 17805 6130 1 14 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.360 -0.191 17805 6131 1 14 . 1 1 68 68 PRO C C 68 176.609 176.609 177.739 -1.130 17805 6132 1 14 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.519 -1.130 17805 6133 1 14 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.200 0.014 17805 6134 1 14 . 1 1 69 69 ASN N N 69 115.414 115.414 115.681 -0.267 17805 6135 1 14 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.489 -0.527 17805 6136 1 14 . 1 1 69 69 ASN C C 69 178.824 178.824 175.786 3.038 17805 6137 1 14 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.833 0.188 17805 6138 1 14 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.485 -0.438 17805 6139 1 14 . 1 1 69 69 ASN H H 69 8.966 8.966 8.605 0.361 17805 6140 1 14 . 1 1 70 70 THR N N 70 115.426 115.426 115.266 0.160 17805 6141 1 14 . 1 1 70 70 THR HA H 70 3.949 3.949 4.254 -0.305 17805 6142 1 14 . 1 1 70 70 THR C C 70 180.592 180.592 173.897 6.695 17805 6143 1 14 . 1 1 70 70 THR CA C 70 65.247 65.247 62.971 2.276 17805 6144 1 14 . 1 1 70 70 THR CB C 70 70.132 70.132 69.686 0.447 17805 6145 1 14 . 1 1 70 70 THR H H 70 7.712 7.712 7.602 0.110 17805 6146 1 14 . 1 1 71 71 LYS N N 71 124.603 124.603 123.439 1.164 17805 6147 1 14 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.030 0.149 17805 6148 1 14 . 1 1 71 71 LYS C C 71 177.157 177.157 176.109 1.048 17805 6149 1 14 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.634 -0.294 17805 6150 1 14 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.063 -0.334 17805 6151 1 14 . 1 1 71 71 LYS H H 71 8.284 8.284 8.260 0.024 17805 6152 1 14 . 1 1 72 72 ILE N N 72 123.505 123.505 120.002 3.503 17805 6153 1 14 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.520 -0.009 17805 6154 1 14 . 1 1 72 72 ILE C C 72 178.360 178.360 174.933 3.427 17805 6155 1 14 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.459 0.177 17805 6156 1 14 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.961 -0.134 17805 6157 1 14 . 1 1 72 72 ILE H H 72 9.142 9.142 9.037 0.105 17805 6158 1 14 . 1 1 73 73 MET N N 73 123.090 123.090 121.249 1.841 17805 6159 1 14 . 1 1 73 73 MET HA H 73 5.122 5.122 4.949 0.173 17805 6160 1 14 . 1 1 73 73 MET C C 73 179.095 179.095 175.327 3.768 17805 6161 1 14 . 1 1 73 73 MET CA C 73 54.949 54.949 54.805 0.144 17805 6162 1 14 . 1 1 73 73 MET CB C 73 35.143 35.143 35.513 -0.370 17805 6163 1 14 . 1 1 73 73 MET H H 73 8.556 8.556 8.628 -0.072 17805 6164 1 14 . 1 1 74 74 MET N N 74 124.481 124.481 121.986 2.495 17805 6165 1 14 . 1 1 74 74 MET HA H 74 5.288 5.288 4.661 0.627 17805 6166 1 14 . 1 1 74 74 MET C C 74 178.476 178.476 175.196 3.280 17805 6167 1 14 . 1 1 74 74 MET CA C 74 54.862 54.862 55.212 -0.350 17805 6168 1 14 . 1 1 74 74 MET CB C 74 36.294 36.294 34.347 1.947 17805 6169 1 14 . 1 1 74 74 MET H H 74 8.924 8.924 8.984 -0.060 17805 6170 1 14 . 1 1 75 75 MET N N 75 123.963 123.963 124.694 -0.731 17805 6171 1 14 . 1 1 75 75 MET HA H 75 5.093 5.093 4.806 0.287 17805 6172 1 14 . 1 1 75 75 MET C C 75 177.842 177.842 174.688 3.154 17805 6173 1 14 . 1 1 75 75 MET CA C 75 54.265 54.265 54.431 -0.166 17805 6174 1 14 . 1 1 75 75 MET CB C 75 35.566 35.566 33.372 2.194 17805 6175 1 14 . 1 1 75 75 MET H H 75 9.112 9.112 8.090 1.022 17805 6176 1 14 . 1 1 76 76 GLY N N 76 109.773 109.773 111.758 -1.985 17805 6177 1 14 . 1 1 76 76 GLY C C 76 180.165 180.165 172.473 7.692 17805 6178 1 14 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.124 0.777 17805 6179 1 14 . 1 1 76 76 GLY H H 76 8.711 8.711 8.431 0.280 17805 6180 1 14 . 1 1 77 77 THR N N 77 113.345 113.345 114.260 -0.915 17805 6181 1 14 . 1 1 77 77 THR HA H 77 4.787 4.787 4.849 -0.062 17805 6182 1 14 . 1 1 77 77 THR C C 77 178.955 178.955 173.623 5.332 17805 6183 1 14 . 1 1 77 77 THR CA C 77 60.728 60.728 60.066 0.661 17805 6184 1 14 . 1 1 77 77 THR CB C 77 71.481 71.481 71.386 0.095 17805 6185 1 14 . 1 1 77 77 THR H H 77 8.280 8.280 8.057 0.223 17805 6186 1 14 . 1 1 78 78 ARG N N 78 122.844 122.844 122.675 0.169 17805 6187 1 14 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.591 -0.443 17805 6188 1 14 . 1 1 78 78 ARG C C 78 177.011 177.011 175.567 1.444 17805 6189 1 14 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.607 2.274 17805 6190 1 14 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.878 -0.271 17805 6191 1 14 . 1 1 78 78 ARG H H 78 8.852 8.852 8.599 0.253 17805 6192 1 14 . 1 1 79 79 GLU N N 79 122.181 122.181 122.326 -0.145 17805 6193 1 14 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.324 -0.118 17805 6194 1 14 . 1 1 79 79 GLU C C 79 176.784 176.784 176.263 0.521 17805 6195 1 14 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.137 0.870 17805 6196 1 14 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.731 0.033 17805 6197 1 14 . 1 1 79 79 GLU H H 79 8.300 8.300 8.611 -0.311 17805 6198 1 14 . 1 1 80 80 GLU N N 80 126.965 126.965 118.889 8.076 17805 6199 1 14 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.578 -0.529 17805 6200 1 14 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.249 2.079 17805 6201 1 14 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.578 1.709 17805 6202 1 14 . 1 1 80 80 GLU H H 80 8.015 8.015 8.550 -0.535 17805 6203 1 15 . 1 1 2 2 ALA N N 2 126.014 126.014 124.620 1.394 17805 6204 1 15 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.465 -0.432 17805 6205 1 15 . 1 1 2 2 ALA C C 2 176.202 176.202 176.352 -0.150 17805 6206 1 15 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.214 2.002 17805 6207 1 15 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.993 -0.617 17805 6208 1 15 . 1 1 2 2 ALA H H 2 8.410 8.410 8.360 0.050 17805 6209 1 15 . 1 1 3 3 LEU N N 3 123.255 123.255 123.265 -0.010 17805 6210 1 15 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.723 -0.077 17805 6211 1 15 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.881 -0.064 17805 6212 1 15 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.147 0.410 17805 6213 1 15 . 1 1 3 3 LEU H H 3 8.271 8.271 8.170 0.101 17805 6214 1 15 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.752 -0.146 17805 6215 1 15 . 1 1 4 4 PRO C C 4 179.796 179.796 175.665 4.131 17805 6216 1 15 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.201 1.039 17805 6217 1 15 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.837 -0.767 17805 6218 1 15 . 1 1 5 5 ILE N N 5 122.161 122.161 118.428 3.733 17805 6219 1 15 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.712 -0.353 17805 6220 1 15 . 1 1 5 5 ILE C C 5 179.202 179.202 175.394 3.808 17805 6221 1 15 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.873 0.960 17805 6222 1 15 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.296 1.647 17805 6223 1 15 . 1 1 5 5 ILE H H 5 8.317 8.317 7.809 0.508 17805 6224 1 15 . 1 1 6 6 ILE N N 6 125.649 125.649 127.733 -2.084 17805 6225 1 15 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.568 0.353 17805 6226 1 15 . 1 1 6 6 ILE C C 6 178.393 178.393 174.614 3.779 17805 6227 1 15 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.988 -1.123 17805 6228 1 15 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.619 0.645 17805 6229 1 15 . 1 1 6 6 ILE H H 6 8.408 8.408 8.235 0.173 17805 6230 1 15 . 1 1 7 7 VAL N N 7 125.741 125.741 127.839 -2.098 17805 6231 1 15 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.759 0.171 17805 6232 1 15 . 1 1 7 7 VAL C C 7 178.215 178.215 173.963 4.252 17805 6233 1 15 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.426 -0.063 17805 6234 1 15 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.104 -1.345 17805 6235 1 15 . 1 1 7 7 VAL H H 7 9.155 9.155 9.142 0.013 17805 6236 1 15 . 1 1 8 8 LYS N N 8 128.098 128.098 128.057 0.041 17805 6237 1 15 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.400 -0.168 17805 6238 1 15 . 1 1 8 8 LYS C C 8 178.353 178.353 174.367 3.986 17805 6239 1 15 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.779 0.496 17805 6240 1 15 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.485 -0.550 17805 6241 1 15 . 1 1 8 8 LYS H H 8 9.174 9.174 8.833 0.341 17805 6242 1 15 . 1 1 9 9 TRP N N 9 125.952 125.952 127.893 -1.941 17805 6243 1 15 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.029 0.156 17805 6244 1 15 . 1 1 9 9 TRP C C 9 176.432 176.432 175.821 0.611 17805 6245 1 15 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.537 1.197 17805 6246 1 15 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.907 -1.346 17805 6247 1 15 . 1 1 9 9 TRP H H 9 8.844 8.844 8.505 0.339 17805 6248 1 15 . 1 1 10 10 GLY N N 10 117.044 117.044 116.755 0.289 17805 6249 1 15 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.289 1.812 17805 6250 1 15 . 1 1 10 10 GLY H H 10 8.683 8.683 8.788 -0.105 17805 6251 1 15 . 1 1 11 11 GLY N N 11 109.364 109.364 105.824 3.540 17805 6252 1 15 . 1 1 11 11 GLY C C 11 179.353 179.353 174.470 4.883 17805 6253 1 15 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.757 0.703 17805 6254 1 15 . 1 1 11 11 GLY H H 11 8.600 8.600 8.233 0.367 17805 6255 1 15 . 1 1 12 12 GLN N N 12 119.388 119.388 120.341 -0.953 17805 6256 1 15 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.298 0.185 17805 6257 1 15 . 1 1 12 12 GLN C C 12 179.098 179.098 175.112 3.986 17805 6258 1 15 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.589 -0.087 17805 6259 1 15 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.861 2.317 17805 6260 1 15 . 1 1 12 12 GLN H H 12 7.865 7.865 7.910 -0.045 17805 6261 1 15 . 1 1 13 13 GLU N N 13 119.756 119.756 120.036 -0.280 17805 6262 1 15 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.145 -0.265 17805 6263 1 15 . 1 1 13 13 GLU C C 13 177.641 177.641 175.306 2.335 17805 6264 1 15 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.287 0.368 17805 6265 1 15 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.414 -0.108 17805 6266 1 15 . 1 1 13 13 GLU H H 13 8.172 8.172 8.060 0.112 17805 6267 1 15 . 1 1 14 14 TYR N N 14 122.812 122.812 124.443 -1.631 17805 6268 1 15 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.872 -0.271 17805 6269 1 15 . 1 1 14 14 TYR C C 14 177.990 177.990 174.871 3.119 17805 6270 1 15 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.674 0.572 17805 6271 1 15 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.199 -0.655 17805 6272 1 15 . 1 1 14 14 TYR H H 14 9.381 9.381 8.932 0.449 17805 6273 1 15 . 1 1 15 15 SER N N 15 118.339 118.339 118.757 -0.418 17805 6274 1 15 . 1 1 15 15 SER HA H 15 4.747 4.747 5.397 -0.650 17805 6275 1 15 . 1 1 15 15 SER C C 15 178.924 178.924 173.658 5.266 17805 6276 1 15 . 1 1 15 15 SER CA C 15 58.099 58.099 57.233 0.866 17805 6277 1 15 . 1 1 15 15 SER CB C 15 63.394 63.394 64.934 -1.540 17805 6278 1 15 . 1 1 15 15 SER H H 15 8.802 8.802 8.641 0.161 17805 6279 1 15 . 1 1 16 16 VAL N N 16 128.611 128.611 121.458 7.153 17805 6280 1 15 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.315 -0.110 17805 6281 1 15 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.790 1.554 17805 6282 1 15 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.709 -2.181 17805 6283 1 15 . 1 1 16 16 VAL H H 16 9.005 9.005 8.688 0.317 17805 6284 1 15 . 1 1 17 17 THR N N 17 116.170 116.170 116.000 0.170 17805 6285 1 15 . 1 1 17 17 THR HA H 17 4.533 4.533 4.433 0.100 17805 6286 1 15 . 1 1 17 17 THR C C 17 177.649 177.649 173.767 3.882 17805 6287 1 15 . 1 1 17 17 THR CA C 17 62.331 62.331 62.308 0.023 17805 6288 1 15 . 1 1 17 17 THR CB C 17 70.040 70.040 68.607 1.433 17805 6289 1 15 . 1 1 17 17 THR H H 17 8.746 8.746 8.273 0.473 17805 6290 1 15 . 1 1 18 18 THR N N 18 107.517 107.517 114.926 -7.409 17805 6291 1 15 . 1 1 18 18 THR HA H 18 4.173 4.173 4.304 -0.131 17805 6292 1 15 . 1 1 18 18 THR C C 18 178.498 178.498 173.468 5.030 17805 6293 1 15 . 1 1 18 18 THR CA C 18 61.772 61.772 62.655 -0.883 17805 6294 1 15 . 1 1 18 18 THR CB C 18 69.121 69.121 69.224 -0.103 17805 6295 1 15 . 1 1 18 18 THR H H 18 6.812 6.812 7.979 -1.167 17805 6296 1 15 . 1 1 19 19 LEU N N 19 123.019 123.019 116.656 6.363 17805 6297 1 15 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.713 -0.130 17805 6298 1 15 . 1 1 19 19 LEU C C 19 177.299 177.299 174.728 2.571 17805 6299 1 15 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.573 1.607 17805 6300 1 15 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.648 -1.937 17805 6301 1 15 . 1 1 19 19 LEU H H 19 8.388 8.388 7.176 1.212 17805 6302 1 15 . 1 1 20 20 SER N N 20 117.870 117.870 113.129 4.741 17805 6303 1 15 . 1 1 20 20 SER HA H 20 4.863 4.863 5.114 -0.251 17805 6304 1 15 . 1 1 20 20 SER C C 20 177.249 177.249 175.702 1.547 17805 6305 1 15 . 1 1 20 20 SER CA C 20 56.832 56.832 56.093 0.739 17805 6306 1 15 . 1 1 20 20 SER CB C 20 67.845 67.845 66.641 1.204 17805 6307 1 15 . 1 1 20 20 SER H H 20 9.714 9.714 8.082 1.632 17805 6308 1 15 . 1 1 21 21 GLU N N 21 116.130 116.130 122.837 -6.707 17805 6309 1 15 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.943 -0.203 17805 6310 1 15 . 1 1 21 21 GLU C C 21 176.555 176.555 176.500 0.055 17805 6311 1 15 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.606 -0.472 17805 6312 1 15 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.077 1.777 17805 6313 1 15 . 1 1 21 21 GLU H H 21 8.491 8.491 8.938 -0.447 17805 6314 1 15 . 1 1 22 22 ASP N N 22 115.741 115.741 116.985 -1.244 17805 6315 1 15 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.522 0.128 17805 6316 1 15 . 1 1 22 22 ASP C C 22 176.555 176.555 176.305 0.250 17805 6317 1 15 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.793 -0.637 17805 6318 1 15 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.189 2.390 17805 6319 1 15 . 1 1 22 22 ASP H H 22 7.936 7.936 7.788 0.148 17805 6320 1 15 . 1 1 23 23 ASP N N 23 119.945 119.945 120.556 -0.611 17805 6321 1 15 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.574 0.267 17805 6322 1 15 . 1 1 23 23 ASP C C 23 178.264 178.264 175.236 3.028 17805 6323 1 15 . 1 1 23 23 ASP CA C 23 55.223 55.223 55.813 -0.590 17805 6324 1 15 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.804 -0.022 17805 6325 1 15 . 1 1 23 23 ASP H H 23 7.313 7.313 8.190 -0.877 17805 6326 1 15 . 1 1 24 24 THR N N 24 107.918 107.918 105.695 2.223 17805 6327 1 15 . 1 1 24 24 THR HA H 24 5.328 5.328 4.408 0.920 17805 6328 1 15 . 1 1 24 24 THR C C 24 176.363 176.363 174.101 2.262 17805 6329 1 15 . 1 1 24 24 THR CA C 24 60.989 60.989 61.485 -0.496 17805 6330 1 15 . 1 1 24 24 THR CB C 24 74.287 74.287 71.118 3.169 17805 6331 1 15 . 1 1 24 24 THR H H 24 9.630 9.630 7.397 2.233 17805 6332 1 15 . 1 1 25 25 VAL N N 25 120.192 120.192 123.206 -3.014 17805 6333 1 15 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.719 -0.385 17805 6334 1 15 . 1 1 25 25 VAL C C 25 175.092 175.092 177.064 -1.972 17805 6335 1 15 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.706 0.920 17805 6336 1 15 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.851 0.298 17805 6337 1 15 . 1 1 25 25 VAL H H 25 8.260 8.260 9.016 -0.756 17805 6338 1 15 . 1 1 26 26 LEU N N 26 119.941 119.941 119.732 0.209 17805 6339 1 15 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.026 -0.154 17805 6340 1 15 . 1 1 26 26 LEU C C 26 174.996 174.996 178.562 -3.566 17805 6341 1 15 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.451 0.141 17805 6342 1 15 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.412 0.304 17805 6343 1 15 . 1 1 26 26 LEU H H 26 8.523 8.523 8.251 0.272 17805 6344 1 15 . 1 1 27 27 ASP N N 27 118.322 118.322 120.022 -1.700 17805 6345 1 15 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.436 -0.163 17805 6346 1 15 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.084 1.579 17805 6347 1 15 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.024 -0.093 17805 6348 1 15 . 1 1 27 27 ASP H H 27 7.581 7.581 8.125 -0.544 17805 6349 1 15 . 1 1 28 28 LEU N N 28 122.021 122.021 121.669 0.352 17805 6350 1 15 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.156 -0.073 17805 6351 1 15 . 1 1 28 28 LEU C C 28 175.514 175.514 178.647 -3.133 17805 6352 1 15 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.940 0.832 17805 6353 1 15 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.269 -1.044 17805 6354 1 15 . 1 1 28 28 LEU H H 28 7.837 7.837 7.971 -0.134 17805 6355 1 15 . 1 1 29 29 LYS N N 29 119.086 119.086 119.306 -0.220 17805 6356 1 15 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.897 0.623 17805 6357 1 15 . 1 1 29 29 LYS C C 29 172.261 172.261 178.734 -6.473 17805 6358 1 15 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.899 -0.112 17805 6359 1 15 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.874 2.423 17805 6360 1 15 . 1 1 29 29 LYS H H 29 8.467 8.467 8.702 -0.235 17805 6361 1 15 . 1 1 30 30 GLN N N 30 119.268 119.268 118.334 0.934 17805 6362 1 15 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.023 -0.091 17805 6363 1 15 . 1 1 30 30 GLN C C 30 174.240 174.240 178.390 -4.150 17805 6364 1 15 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.535 1.128 17805 6365 1 15 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.018 -0.212 17805 6366 1 15 . 1 1 30 30 GLN H H 30 9.049 9.049 7.840 1.210 17805 6367 1 15 . 1 1 31 31 PHE N N 31 121.690 121.690 120.822 0.868 17805 6368 1 15 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.198 0.020 17805 6369 1 15 . 1 1 31 31 PHE C C 31 173.970 173.970 177.576 -3.606 17805 6370 1 15 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.200 0.767 17805 6371 1 15 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.358 0.017 17805 6372 1 15 . 1 1 31 31 PHE H H 31 8.039 8.039 7.763 0.276 17805 6373 1 15 . 1 1 32 32 LEU N N 32 118.232 118.232 117.151 1.081 17805 6374 1 15 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.011 -0.374 17805 6375 1 15 . 1 1 32 32 LEU C C 32 172.367 172.367 178.291 -5.924 17805 6376 1 15 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.909 -0.201 17805 6377 1 15 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.891 0.379 17805 6378 1 15 . 1 1 32 32 LEU H H 32 8.776 8.776 8.188 0.588 17805 6379 1 15 . 1 1 33 33 LYS N N 33 125.920 125.920 119.606 6.314 17805 6380 1 15 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.099 -0.297 17805 6381 1 15 . 1 1 33 33 LYS C C 33 173.820 173.820 178.700 -4.880 17805 6382 1 15 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.496 1.620 17805 6383 1 15 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.201 0.500 17805 6384 1 15 . 1 1 33 33 LYS H H 33 8.237 8.237 8.527 -0.289 17805 6385 1 15 . 1 1 34 34 THR N N 34 114.544 114.544 113.799 0.745 17805 6386 1 15 . 1 1 34 34 THR HA H 34 3.773 3.773 4.063 -0.290 17805 6387 1 15 . 1 1 34 34 THR C C 34 177.649 177.649 175.352 2.297 17805 6388 1 15 . 1 1 34 34 THR CA C 34 65.749 65.749 64.431 1.318 17805 6389 1 15 . 1 1 34 34 THR CB C 34 68.620 68.620 68.465 0.155 17805 6390 1 15 . 1 1 34 34 THR H H 34 7.281 7.281 7.469 -0.188 17805 6391 1 15 . 1 1 35 35 LEU N N 35 117.590 117.590 117.989 -0.399 17805 6392 1 15 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.338 -0.320 17805 6393 1 15 . 1 1 35 35 LEU C C 35 175.105 175.105 177.389 -2.284 17805 6394 1 15 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.684 1.331 17805 6395 1 15 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.370 1.633 17805 6396 1 15 . 1 1 35 35 LEU H H 35 6.752 6.752 7.279 -0.527 17805 6397 1 15 . 1 1 36 36 THR N N 36 104.865 104.865 107.756 -2.891 17805 6398 1 15 . 1 1 36 36 THR HA H 36 3.967 3.967 4.358 -0.391 17805 6399 1 15 . 1 1 36 36 THR C C 36 178.094 178.094 176.146 1.948 17805 6400 1 15 . 1 1 36 36 THR CA C 36 62.756 62.756 63.279 -0.523 17805 6401 1 15 . 1 1 36 36 THR CB C 36 72.343 72.343 70.807 1.536 17805 6402 1 15 . 1 1 36 36 THR H H 36 7.675 7.675 7.966 -0.291 17805 6403 1 15 . 1 1 37 37 GLY N N 37 109.795 109.795 111.026 -1.231 17805 6404 1 15 . 1 1 37 37 GLY C C 37 179.368 179.368 173.625 5.743 17805 6405 1 15 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.910 -0.351 17805 6406 1 15 . 1 1 37 37 GLY H H 37 7.971 7.971 8.615 -0.644 17805 6407 1 15 . 1 1 38 38 VAL N N 38 122.557 122.557 122.769 -0.212 17805 6408 1 15 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.397 -0.759 17805 6409 1 15 . 1 1 38 38 VAL C C 38 177.289 177.289 173.929 3.360 17805 6410 1 15 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.432 2.005 17805 6411 1 15 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.886 -1.496 17805 6412 1 15 . 1 1 38 38 VAL H H 38 7.533 7.533 7.275 0.258 17805 6413 1 15 . 1 1 39 39 LEU N N 39 127.828 127.828 124.309 3.519 17805 6414 1 15 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.910 -0.916 17805 6415 1 15 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.103 3.333 17805 6416 1 15 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.263 0.294 17805 6417 1 15 . 1 1 39 39 LEU H H 39 8.634 8.634 8.343 0.291 17805 6418 1 15 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.565 -0.726 17805 6419 1 15 . 1 1 40 40 PRO C C 40 174.857 174.857 177.355 -2.498 17805 6420 1 15 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.662 2.326 17805 6421 1 15 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.928 0.394 17805 6422 1 15 . 1 1 41 41 GLU N N 41 114.752 114.752 117.131 -2.379 17805 6423 1 15 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.135 -0.064 17805 6424 1 15 . 1 1 41 41 GLU C C 41 176.350 176.350 177.728 -1.378 17805 6425 1 15 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.740 1.198 17805 6426 1 15 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.185 -0.361 17805 6427 1 15 . 1 1 41 41 GLU H H 41 9.746 9.746 8.603 1.143 17805 6428 1 15 . 1 1 42 42 ARG N N 42 118.145 118.145 116.886 1.259 17805 6429 1 15 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.430 -0.115 17805 6430 1 15 . 1 1 42 42 ARG C C 42 177.731 177.731 176.449 1.282 17805 6431 1 15 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.758 -1.310 17805 6432 1 15 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.978 -0.873 17805 6433 1 15 . 1 1 42 42 ARG H H 42 7.938 7.938 7.529 0.409 17805 6434 1 15 . 1 1 43 43 GLN N N 43 118.250 118.250 116.207 2.043 17805 6435 1 15 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.620 -0.369 17805 6436 1 15 . 1 1 43 43 GLN C C 43 176.186 176.186 174.001 2.185 17805 6437 1 15 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.249 2.288 17805 6438 1 15 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.103 -1.111 17805 6439 1 15 . 1 1 43 43 GLN H H 43 7.034 7.034 7.592 -0.558 17805 6440 1 15 . 1 1 44 44 LYS N N 44 122.693 122.693 118.643 4.050 17805 6441 1 15 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.692 -0.228 17805 6442 1 15 . 1 1 44 44 LYS C C 44 178.040 178.040 174.445 3.595 17805 6443 1 15 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.571 0.981 17805 6444 1 15 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.716 -0.391 17805 6445 1 15 . 1 1 44 44 LYS H H 44 8.806 8.806 8.024 0.782 17805 6446 1 15 . 1 1 45 45 LEU N N 45 124.806 124.806 122.833 1.973 17805 6447 1 15 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.735 0.208 17805 6448 1 15 . 1 1 45 45 LEU C C 45 176.506 176.506 177.169 -0.663 17805 6449 1 15 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.048 -0.506 17805 6450 1 15 . 1 1 45 45 LEU CB C 45 41.821 41.821 41.945 -0.124 17805 6451 1 15 . 1 1 45 45 LEU H H 45 8.704 8.704 8.671 0.033 17805 6452 1 15 . 1 1 46 46 LEU N N 46 124.709 124.709 123.318 1.391 17805 6453 1 15 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.054 0.304 17805 6454 1 15 . 1 1 46 46 LEU C C 46 175.289 175.289 177.336 -2.047 17805 6455 1 15 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.883 -1.124 17805 6456 1 15 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.232 0.294 17805 6457 1 15 . 1 1 46 46 LEU H H 46 8.751 8.751 8.621 0.130 17805 6458 1 15 . 1 1 47 47 GLY N N 47 109.276 109.276 113.594 -4.318 17805 6459 1 15 . 1 1 47 47 GLY C C 47 179.057 179.057 172.639 6.418 17805 6460 1 15 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.377 0.183 17805 6461 1 15 . 1 1 47 47 GLY H H 47 8.300 8.300 8.409 -0.109 17805 6462 1 15 . 1 1 48 48 LEU N N 48 119.707 119.707 120.676 -0.969 17805 6463 1 15 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.803 -0.213 17805 6464 1 15 . 1 1 48 48 LEU C C 48 177.598 177.598 175.056 2.542 17805 6465 1 15 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.356 0.589 17805 6466 1 15 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.995 -4.581 17805 6467 1 15 . 1 1 48 48 LEU H H 48 7.581 7.581 8.140 -0.559 17805 6468 1 15 . 1 1 49 49 LYS N N 49 124.527 124.527 120.629 3.898 17805 6469 1 15 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.740 0.112 17805 6470 1 15 . 1 1 49 49 LYS C C 49 178.059 178.059 175.147 2.912 17805 6471 1 15 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.745 0.918 17805 6472 1 15 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.603 3.978 17805 6473 1 15 . 1 1 49 49 LYS H H 49 8.606 8.606 8.120 0.486 17805 6474 1 15 . 1 1 50 50 VAL N N 50 119.184 119.184 121.677 -2.493 17805 6475 1 15 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.284 -0.171 17805 6476 1 15 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.265 1.600 17805 6477 1 15 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.340 0.394 17805 6478 1 15 . 1 1 50 50 VAL H H 50 8.799 8.799 8.513 0.286 17805 6479 1 15 . 1 1 51 51 LYS N N 51 127.069 127.069 126.412 0.657 17805 6480 1 15 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.930 -0.106 17805 6481 1 15 . 1 1 51 51 LYS C C 51 176.418 176.418 176.088 0.330 17805 6482 1 15 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.267 0.140 17805 6483 1 15 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.373 0.281 17805 6484 1 15 . 1 1 51 51 LYS H H 51 9.451 9.451 9.120 0.331 17805 6485 1 15 . 1 1 52 52 GLY N N 52 102.671 102.671 103.052 -0.381 17805 6486 1 15 . 1 1 52 52 GLY C C 52 179.392 179.392 174.195 5.197 17805 6487 1 15 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.948 0.862 17805 6488 1 15 . 1 1 52 52 GLY H H 52 8.512 8.512 8.180 0.332 17805 6489 1 15 . 1 1 53 53 LYS N N 53 121.307 121.307 121.521 -0.214 17805 6490 1 15 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.717 0.112 17805 6491 1 15 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.264 0.352 17805 6492 1 15 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.930 1.010 17805 6493 1 15 . 1 1 53 53 LYS H H 53 7.781 7.781 7.833 -0.052 17805 6494 1 15 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.381 -0.005 17805 6495 1 15 . 1 1 54 54 PRO C C 54 175.954 175.954 176.149 -0.195 17805 6496 1 15 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.734 1.083 17805 6497 1 15 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.880 2.272 17805 6498 1 15 . 1 1 55 55 ALA N N 55 125.654 125.654 123.119 2.535 17805 6499 1 15 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.915 0.223 17805 6500 1 15 . 1 1 55 55 ALA C C 55 175.977 175.977 176.789 -0.812 17805 6501 1 15 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.684 -0.020 17805 6502 1 15 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.132 1.912 17805 6503 1 15 . 1 1 55 55 ALA H H 55 8.114 8.114 8.171 -0.057 17805 6504 1 15 . 1 1 56 56 GLU N N 56 122.313 122.313 121.444 0.869 17805 6505 1 15 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.054 0.161 17805 6506 1 15 . 1 1 56 56 GLU C C 56 176.924 176.924 177.771 -0.847 17805 6507 1 15 . 1 1 56 56 GLU CA C 56 56.089 56.089 57.088 -0.999 17805 6508 1 15 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.585 0.501 17805 6509 1 15 . 1 1 56 56 GLU H H 56 8.179 8.179 8.384 -0.205 17805 6510 1 15 . 1 1 57 57 ASN N N 57 115.140 115.140 119.223 -4.083 17805 6511 1 15 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.453 -0.224 17805 6512 1 15 . 1 1 57 57 ASN C C 57 177.457 177.457 176.156 1.301 17805 6513 1 15 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.213 -1.014 17805 6514 1 15 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.465 0.762 17805 6515 1 15 . 1 1 57 57 ASN H H 57 8.504 8.504 8.790 -0.286 17805 6516 1 15 . 1 1 58 58 ASP N N 58 112.832 112.832 117.362 -4.530 17805 6517 1 15 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.549 -0.061 17805 6518 1 15 . 1 1 58 58 ASP C C 58 177.255 177.255 175.552 1.703 17805 6519 1 15 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.934 -1.326 17805 6520 1 15 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.492 -0.188 17805 6521 1 15 . 1 1 58 58 ASP H H 58 8.198 8.198 8.535 -0.337 17805 6522 1 15 . 1 1 59 59 VAL N N 59 122.073 122.073 120.753 1.320 17805 6523 1 15 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.937 -0.344 17805 6524 1 15 . 1 1 59 59 VAL C C 59 177.321 177.321 175.887 1.434 17805 6525 1 15 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.040 0.800 17805 6526 1 15 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.137 0.185 17805 6527 1 15 . 1 1 59 59 VAL H H 59 7.353 7.353 7.177 0.176 17805 6528 1 15 . 1 1 60 60 LYS N N 60 125.064 125.064 126.420 -1.356 17805 6529 1 15 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.126 0.321 17805 6530 1 15 . 1 1 60 60 LYS C C 60 174.649 174.649 177.278 -2.629 17805 6531 1 15 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.881 -0.696 17805 6532 1 15 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.663 0.442 17805 6533 1 15 . 1 1 60 60 LYS H H 60 8.339 8.339 8.538 -0.199 17805 6534 1 15 . 1 1 61 61 LEU N N 61 121.612 121.612 121.351 0.261 17805 6535 1 15 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.224 -0.448 17805 6536 1 15 . 1 1 61 61 LEU C C 61 171.906 171.906 179.132 -7.226 17805 6537 1 15 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.048 0.939 17805 6538 1 15 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.945 -0.113 17805 6539 1 15 . 1 1 61 61 LEU H H 61 9.423 9.423 8.514 0.909 17805 6540 1 15 . 1 1 62 62 GLY N N 62 104.008 104.008 105.100 -1.092 17805 6541 1 15 . 1 1 62 62 GLY C C 62 177.869 177.869 175.067 2.802 17805 6542 1 15 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.843 -0.070 17805 6543 1 15 . 1 1 62 62 GLY H H 62 9.107 9.107 7.612 1.495 17805 6544 1 15 . 1 1 63 63 ALA N N 63 122.025 122.025 123.341 -1.316 17805 6545 1 15 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.115 0.158 17805 6546 1 15 . 1 1 63 63 ALA C C 63 174.499 174.499 178.168 -3.669 17805 6547 1 15 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.232 -0.811 17805 6548 1 15 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.863 -0.047 17805 6549 1 15 . 1 1 63 63 ALA H H 63 7.755 7.755 8.075 -0.320 17805 6550 1 15 . 1 1 64 64 LEU N N 64 115.454 115.454 114.265 1.189 17805 6551 1 15 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.529 -0.461 17805 6552 1 15 . 1 1 64 64 LEU C C 64 177.197 177.197 177.854 -0.657 17805 6553 1 15 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.199 0.368 17805 6554 1 15 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.372 -0.236 17805 6555 1 15 . 1 1 64 64 LEU H H 64 7.214 7.214 7.511 -0.297 17805 6556 1 15 . 1 1 65 65 LYS N N 65 114.830 114.830 118.731 -3.901 17805 6557 1 15 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.062 -0.224 17805 6558 1 15 . 1 1 65 65 LYS C C 65 177.061 177.061 176.693 0.368 17805 6559 1 15 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.580 -1.843 17805 6560 1 15 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.053 -3.746 17805 6561 1 15 . 1 1 65 65 LYS H H 65 7.642 7.642 8.047 -0.405 17805 6562 1 15 . 1 1 66 66 LEU N N 66 119.305 119.305 111.236 8.069 17805 6563 1 15 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.545 -0.382 17805 6564 1 15 . 1 1 66 66 LEU C C 66 175.393 175.393 175.796 -0.403 17805 6565 1 15 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.530 0.317 17805 6566 1 15 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.582 0.130 17805 6567 1 15 . 1 1 66 66 LEU H H 66 8.516 8.516 7.467 1.049 17805 6568 1 15 . 1 1 67 67 LYS N N 67 121.480 121.480 120.584 0.896 17805 6569 1 15 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.580 -0.083 17805 6570 1 15 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.130 -1.978 17805 6571 1 15 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.648 0.351 17805 6572 1 15 . 1 1 67 67 LYS H H 67 7.955 7.955 8.385 -0.430 17805 6573 1 15 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.337 -0.168 17805 6574 1 15 . 1 1 68 68 PRO C C 68 176.609 176.609 177.860 -1.251 17805 6575 1 15 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.607 -1.218 17805 6576 1 15 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.191 0.024 17805 6577 1 15 . 1 1 69 69 ASN N N 69 115.414 115.414 117.171 -1.757 17805 6578 1 15 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.438 -0.476 17805 6579 1 15 . 1 1 69 69 ASN C C 69 178.824 178.824 175.647 3.177 17805 6580 1 15 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.218 -0.197 17805 6581 1 15 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.977 -0.930 17805 6582 1 15 . 1 1 69 69 ASN H H 69 8.966 8.966 8.358 0.608 17805 6583 1 15 . 1 1 70 70 THR N N 70 115.426 115.426 115.411 0.015 17805 6584 1 15 . 1 1 70 70 THR HA H 70 3.949 3.949 4.330 -0.381 17805 6585 1 15 . 1 1 70 70 THR C C 70 180.592 180.592 173.996 6.596 17805 6586 1 15 . 1 1 70 70 THR CA C 70 65.247 65.247 63.754 1.494 17805 6587 1 15 . 1 1 70 70 THR CB C 70 70.132 70.132 69.940 0.192 17805 6588 1 15 . 1 1 70 70 THR H H 70 7.712 7.712 7.551 0.161 17805 6589 1 15 . 1 1 71 71 LYS N N 71 124.603 124.603 123.542 1.061 17805 6590 1 15 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.946 0.233 17805 6591 1 15 . 1 1 71 71 LYS C C 71 177.157 177.157 176.385 0.772 17805 6592 1 15 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.617 -0.277 17805 6593 1 15 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.737 -0.008 17805 6594 1 15 . 1 1 71 71 LYS H H 71 8.284 8.284 8.274 0.010 17805 6595 1 15 . 1 1 72 72 ILE N N 72 123.505 123.505 119.977 3.528 17805 6596 1 15 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.529 -0.018 17805 6597 1 15 . 1 1 72 72 ILE C C 72 178.360 178.360 175.128 3.232 17805 6598 1 15 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.424 0.212 17805 6599 1 15 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.813 0.014 17805 6600 1 15 . 1 1 72 72 ILE H H 72 9.142 9.142 9.043 0.099 17805 6601 1 15 . 1 1 73 73 MET N N 73 123.090 123.090 121.491 1.599 17805 6602 1 15 . 1 1 73 73 MET HA H 73 5.122 5.122 4.903 0.219 17805 6603 1 15 . 1 1 73 73 MET C C 73 179.095 179.095 175.366 3.729 17805 6604 1 15 . 1 1 73 73 MET CA C 73 54.949 54.949 54.957 -0.008 17805 6605 1 15 . 1 1 73 73 MET CB C 73 35.143 35.143 35.299 -0.156 17805 6606 1 15 . 1 1 73 73 MET H H 73 8.556 8.556 8.685 -0.129 17805 6607 1 15 . 1 1 74 74 MET N N 74 124.481 124.481 122.427 2.054 17805 6608 1 15 . 1 1 74 74 MET HA H 74 5.288 5.288 4.704 0.584 17805 6609 1 15 . 1 1 74 74 MET C C 74 178.476 178.476 175.263 3.213 17805 6610 1 15 . 1 1 74 74 MET CA C 74 54.862 54.862 55.195 -0.333 17805 6611 1 15 . 1 1 74 74 MET CB C 74 36.294 36.294 34.019 2.275 17805 6612 1 15 . 1 1 74 74 MET H H 74 8.924 8.924 8.962 -0.038 17805 6613 1 15 . 1 1 75 75 MET N N 75 123.963 123.963 124.901 -0.938 17805 6614 1 15 . 1 1 75 75 MET HA H 75 5.093 5.093 4.816 0.277 17805 6615 1 15 . 1 1 75 75 MET C C 75 177.842 177.842 174.932 2.910 17805 6616 1 15 . 1 1 75 75 MET CA C 75 54.265 54.265 54.472 -0.207 17805 6617 1 15 . 1 1 75 75 MET CB C 75 35.566 35.566 32.871 2.695 17805 6618 1 15 . 1 1 75 75 MET H H 75 9.112 9.112 8.075 1.037 17805 6619 1 15 . 1 1 76 76 GLY N N 76 109.773 109.773 110.866 -1.093 17805 6620 1 15 . 1 1 76 76 GLY C C 76 180.165 180.165 172.412 7.753 17805 6621 1 15 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.348 0.553 17805 6622 1 15 . 1 1 76 76 GLY H H 76 8.711 8.711 8.215 0.496 17805 6623 1 15 . 1 1 77 77 THR N N 77 113.345 113.345 113.201 0.144 17805 6624 1 15 . 1 1 77 77 THR HA H 77 4.787 4.787 4.707 0.080 17805 6625 1 15 . 1 1 77 77 THR C C 77 178.955 178.955 173.340 5.615 17805 6626 1 15 . 1 1 77 77 THR CA C 77 60.728 60.728 60.814 -0.086 17805 6627 1 15 . 1 1 77 77 THR CB C 77 71.481 71.481 70.865 0.616 17805 6628 1 15 . 1 1 77 77 THR H H 77 8.280 8.280 8.004 0.276 17805 6629 1 15 . 1 1 78 78 ARG N N 78 122.844 122.844 121.560 1.284 17805 6630 1 15 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.548 -0.400 17805 6631 1 15 . 1 1 78 78 ARG C C 78 177.011 177.011 175.503 1.508 17805 6632 1 15 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.343 2.538 17805 6633 1 15 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.063 0.544 17805 6634 1 15 . 1 1 78 78 ARG H H 78 8.852 8.852 8.505 0.347 17805 6635 1 15 . 1 1 79 79 GLU N N 79 122.181 122.181 121.526 0.655 17805 6636 1 15 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.470 -0.264 17805 6637 1 15 . 1 1 79 79 GLU C C 79 176.784 176.784 175.761 1.023 17805 6638 1 15 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.684 1.323 17805 6639 1 15 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.722 0.042 17805 6640 1 15 . 1 1 79 79 GLU H H 79 8.300 8.300 8.626 -0.326 17805 6641 1 15 . 1 1 80 80 GLU N N 80 126.965 126.965 120.061 6.904 17805 6642 1 15 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.598 -0.549 17805 6643 1 15 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.375 2.953 17805 6644 1 15 . 1 1 80 80 GLU CB C 80 31.287 31.287 31.320 -0.033 17805 6645 1 15 . 1 1 80 80 GLU H H 80 8.015 8.015 8.419 -0.404 17805 6646 1 16 . 1 1 2 2 ALA N N 2 126.014 126.014 126.196 -0.182 17805 6647 1 16 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.514 -0.481 17805 6648 1 16 . 1 1 2 2 ALA C C 2 176.202 176.202 176.568 -0.366 17805 6649 1 16 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.445 1.770 17805 6650 1 16 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.192 0.184 17805 6651 1 16 . 1 1 2 2 ALA H H 2 8.410 8.410 8.538 -0.128 17805 6652 1 16 . 1 1 3 3 LEU N N 3 123.255 123.255 125.965 -2.710 17805 6653 1 16 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.669 -0.023 17805 6654 1 16 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.298 -0.481 17805 6655 1 16 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.032 0.525 17805 6656 1 16 . 1 1 3 3 LEU H H 3 8.271 8.271 8.479 -0.208 17805 6657 1 16 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.762 -0.156 17805 6658 1 16 . 1 1 4 4 PRO C C 4 179.796 179.796 175.640 4.156 17805 6659 1 16 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.336 0.904 17805 6660 1 16 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.912 -0.842 17805 6661 1 16 . 1 1 5 5 ILE N N 5 122.161 122.161 117.695 4.466 17805 6662 1 16 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.798 -0.439 17805 6663 1 16 . 1 1 5 5 ILE C C 5 179.202 179.202 175.555 3.647 17805 6664 1 16 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.281 0.553 17805 6665 1 16 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.416 1.527 17805 6666 1 16 . 1 1 5 5 ILE H H 5 8.317 8.317 7.779 0.538 17805 6667 1 16 . 1 1 6 6 ILE N N 6 125.649 125.649 128.133 -2.484 17805 6668 1 16 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.609 0.312 17805 6669 1 16 . 1 1 6 6 ILE C C 6 178.393 178.393 174.941 3.452 17805 6670 1 16 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.928 -1.063 17805 6671 1 16 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.820 0.444 17805 6672 1 16 . 1 1 6 6 ILE H H 6 8.408 8.408 8.148 0.260 17805 6673 1 16 . 1 1 7 7 VAL N N 7 125.741 125.741 127.174 -1.433 17805 6674 1 16 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.982 -0.052 17805 6675 1 16 . 1 1 7 7 VAL C C 7 178.215 178.215 174.507 3.708 17805 6676 1 16 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.390 -0.027 17805 6677 1 16 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.768 -1.009 17805 6678 1 16 . 1 1 7 7 VAL H H 7 9.155 9.155 8.978 0.177 17805 6679 1 16 . 1 1 8 8 LYS N N 8 128.098 128.098 125.249 2.849 17805 6680 1 16 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.512 -0.280 17805 6681 1 16 . 1 1 8 8 LYS C C 8 178.353 178.353 174.440 3.913 17805 6682 1 16 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.896 0.379 17805 6683 1 16 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.967 -1.032 17805 6684 1 16 . 1 1 8 8 LYS H H 8 9.174 9.174 9.121 0.053 17805 6685 1 16 . 1 1 9 9 TRP N N 9 125.952 125.952 127.764 -1.812 17805 6686 1 16 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.066 0.119 17805 6687 1 16 . 1 1 9 9 TRP C C 9 176.432 176.432 175.850 0.582 17805 6688 1 16 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.439 1.295 17805 6689 1 16 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.558 -0.997 17805 6690 1 16 . 1 1 9 9 TRP H H 9 8.844 8.844 9.096 -0.252 17805 6691 1 16 . 1 1 10 10 GLY N N 10 117.044 117.044 117.252 -0.208 17805 6692 1 16 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.400 1.701 17805 6693 1 16 . 1 1 10 10 GLY H H 10 8.683 8.683 8.948 -0.265 17805 6694 1 16 . 1 1 11 11 GLY N N 11 109.364 109.364 105.708 3.656 17805 6695 1 16 . 1 1 11 11 GLY C C 11 179.353 179.353 174.388 4.965 17805 6696 1 16 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.716 0.744 17805 6697 1 16 . 1 1 11 11 GLY H H 11 8.600 8.600 8.237 0.363 17805 6698 1 16 . 1 1 12 12 GLN N N 12 119.388 119.388 121.046 -1.658 17805 6699 1 16 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.253 0.230 17805 6700 1 16 . 1 1 12 12 GLN C C 12 179.098 179.098 174.986 4.112 17805 6701 1 16 . 1 1 12 12 GLN CA C 12 54.502 54.502 55.077 -0.575 17805 6702 1 16 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.736 2.442 17805 6703 1 16 . 1 1 12 12 GLN H H 12 7.865 7.865 7.929 -0.064 17805 6704 1 16 . 1 1 13 13 GLU N N 13 119.756 119.756 121.706 -1.950 17805 6705 1 16 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.152 -0.272 17805 6706 1 16 . 1 1 13 13 GLU C C 13 177.641 177.641 175.498 2.143 17805 6707 1 16 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.284 0.371 17805 6708 1 16 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.074 0.232 17805 6709 1 16 . 1 1 13 13 GLU H H 13 8.172 8.172 8.297 -0.125 17805 6710 1 16 . 1 1 14 14 TYR N N 14 122.812 122.812 124.486 -1.674 17805 6711 1 16 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.843 -0.242 17805 6712 1 16 . 1 1 14 14 TYR C C 14 177.990 177.990 174.793 3.197 17805 6713 1 16 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.794 0.452 17805 6714 1 16 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.878 -0.334 17805 6715 1 16 . 1 1 14 14 TYR H H 14 9.381 9.381 9.065 0.316 17805 6716 1 16 . 1 1 15 15 SER N N 15 118.339 118.339 118.747 -0.408 17805 6717 1 16 . 1 1 15 15 SER HA H 15 4.747 4.747 5.428 -0.681 17805 6718 1 16 . 1 1 15 15 SER C C 15 178.924 178.924 173.625 5.299 17805 6719 1 16 . 1 1 15 15 SER CA C 15 58.099 58.099 57.075 1.024 17805 6720 1 16 . 1 1 15 15 SER CB C 15 63.394 63.394 65.170 -1.776 17805 6721 1 16 . 1 1 15 15 SER H H 15 8.802 8.802 8.640 0.162 17805 6722 1 16 . 1 1 16 16 VAL N N 16 128.611 128.611 121.791 6.820 17805 6723 1 16 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.406 -0.201 17805 6724 1 16 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.404 1.940 17805 6725 1 16 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.191 -1.663 17805 6726 1 16 . 1 1 16 16 VAL H H 16 9.005 9.005 8.727 0.278 17805 6727 1 16 . 1 1 17 17 THR N N 17 116.170 116.170 115.084 1.086 17805 6728 1 16 . 1 1 17 17 THR HA H 17 4.533 4.533 4.461 0.072 17805 6729 1 16 . 1 1 17 17 THR C C 17 177.649 177.649 174.118 3.531 17805 6730 1 16 . 1 1 17 17 THR CA C 17 62.331 62.331 62.189 0.142 17805 6731 1 16 . 1 1 17 17 THR CB C 17 70.040 70.040 69.134 0.906 17805 6732 1 16 . 1 1 17 17 THR H H 17 8.746 8.746 8.260 0.486 17805 6733 1 16 . 1 1 18 18 THR N N 18 107.517 107.517 114.221 -6.704 17805 6734 1 16 . 1 1 18 18 THR HA H 18 4.173 4.173 4.305 -0.132 17805 6735 1 16 . 1 1 18 18 THR C C 18 178.498 178.498 173.494 5.004 17805 6736 1 16 . 1 1 18 18 THR CA C 18 61.772 61.772 62.369 -0.597 17805 6737 1 16 . 1 1 18 18 THR CB C 18 69.121 69.121 68.982 0.139 17805 6738 1 16 . 1 1 18 18 THR H H 18 6.812 6.812 8.003 -1.191 17805 6739 1 16 . 1 1 19 19 LEU N N 19 123.019 123.019 116.579 6.440 17805 6740 1 16 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.798 -0.215 17805 6741 1 16 . 1 1 19 19 LEU C C 19 177.299 177.299 174.316 2.983 17805 6742 1 16 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.815 1.365 17805 6743 1 16 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.857 -2.146 17805 6744 1 16 . 1 1 19 19 LEU H H 19 8.388 8.388 7.196 1.192 17805 6745 1 16 . 1 1 20 20 SER N N 20 117.870 117.870 113.656 4.214 17805 6746 1 16 . 1 1 20 20 SER HA H 20 4.863 4.863 5.116 -0.253 17805 6747 1 16 . 1 1 20 20 SER C C 20 177.249 177.249 175.893 1.356 17805 6748 1 16 . 1 1 20 20 SER CA C 20 56.832 56.832 56.171 0.661 17805 6749 1 16 . 1 1 20 20 SER CB C 20 67.845 67.845 66.119 1.726 17805 6750 1 16 . 1 1 20 20 SER H H 20 9.714 9.714 8.500 1.214 17805 6751 1 16 . 1 1 21 21 GLU N N 21 116.130 116.130 121.681 -5.551 17805 6752 1 16 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.994 -0.254 17805 6753 1 16 . 1 1 21 21 GLU C C 21 176.555 176.555 176.706 -0.151 17805 6754 1 16 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.060 0.074 17805 6755 1 16 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.222 1.632 17805 6756 1 16 . 1 1 21 21 GLU H H 21 8.491 8.491 8.937 -0.446 17805 6757 1 16 . 1 1 22 22 ASP N N 22 115.741 115.741 117.354 -1.613 17805 6758 1 16 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.556 0.094 17805 6759 1 16 . 1 1 22 22 ASP C C 22 176.555 176.555 176.121 0.434 17805 6760 1 16 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.682 -0.526 17805 6761 1 16 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.028 2.551 17805 6762 1 16 . 1 1 22 22 ASP H H 22 7.936 7.936 8.050 -0.114 17805 6763 1 16 . 1 1 23 23 ASP N N 23 119.945 119.945 120.204 -0.259 17805 6764 1 16 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.544 0.297 17805 6765 1 16 . 1 1 23 23 ASP C C 23 178.264 178.264 175.517 2.747 17805 6766 1 16 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.781 -1.558 17805 6767 1 16 . 1 1 23 23 ASP CB C 23 42.782 42.782 41.886 0.896 17805 6768 1 16 . 1 1 23 23 ASP H H 23 7.313 7.313 7.722 -0.409 17805 6769 1 16 . 1 1 24 24 THR N N 24 107.918 107.918 106.029 1.889 17805 6770 1 16 . 1 1 24 24 THR HA H 24 5.328 5.328 4.485 0.843 17805 6771 1 16 . 1 1 24 24 THR C C 24 176.363 176.363 173.917 2.446 17805 6772 1 16 . 1 1 24 24 THR CA C 24 60.989 60.989 61.383 -0.394 17805 6773 1 16 . 1 1 24 24 THR CB C 24 74.287 74.287 70.695 3.592 17805 6774 1 16 . 1 1 24 24 THR H H 24 9.630 9.630 7.623 2.007 17805 6775 1 16 . 1 1 25 25 VAL N N 25 120.192 120.192 123.451 -3.259 17805 6776 1 16 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.716 -0.382 17805 6777 1 16 . 1 1 25 25 VAL C C 25 175.092 175.092 177.107 -2.015 17805 6778 1 16 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.022 0.604 17805 6779 1 16 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.783 0.366 17805 6780 1 16 . 1 1 25 25 VAL H H 25 8.260 8.260 8.922 -0.662 17805 6781 1 16 . 1 1 26 26 LEU N N 26 119.941 119.941 119.306 0.635 17805 6782 1 16 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.015 -0.143 17805 6783 1 16 . 1 1 26 26 LEU C C 26 174.996 174.996 178.687 -3.691 17805 6784 1 16 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.353 0.239 17805 6785 1 16 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.385 0.331 17805 6786 1 16 . 1 1 26 26 LEU H H 26 8.523 8.523 8.345 0.178 17805 6787 1 16 . 1 1 27 27 ASP N N 27 118.322 118.322 119.908 -1.586 17805 6788 1 16 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.445 -0.172 17805 6789 1 16 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.845 1.818 17805 6790 1 16 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.009 -0.078 17805 6791 1 16 . 1 1 27 27 ASP H H 27 7.581 7.581 8.112 -0.531 17805 6792 1 16 . 1 1 28 28 LEU N N 28 122.021 122.021 121.419 0.602 17805 6793 1 16 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.188 -0.104 17805 6794 1 16 . 1 1 28 28 LEU C C 28 175.514 175.514 178.550 -3.036 17805 6795 1 16 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.838 0.934 17805 6796 1 16 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.278 -1.053 17805 6797 1 16 . 1 1 28 28 LEU H H 28 7.837 7.837 8.020 -0.183 17805 6798 1 16 . 1 1 29 29 LYS N N 29 119.086 119.086 119.193 -0.107 17805 6799 1 16 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.885 0.635 17805 6800 1 16 . 1 1 29 29 LYS C C 29 172.261 172.261 178.720 -6.459 17805 6801 1 16 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.879 -0.092 17805 6802 1 16 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.826 2.471 17805 6803 1 16 . 1 1 29 29 LYS H H 29 8.467 8.467 8.716 -0.249 17805 6804 1 16 . 1 1 30 30 GLN N N 30 119.268 119.268 118.331 0.937 17805 6805 1 16 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.019 -0.087 17805 6806 1 16 . 1 1 30 30 GLN C C 30 174.240 174.240 178.411 -4.171 17805 6807 1 16 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.508 1.155 17805 6808 1 16 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.044 -0.239 17805 6809 1 16 . 1 1 30 30 GLN H H 30 9.049 9.049 7.834 1.215 17805 6810 1 16 . 1 1 31 31 PHE N N 31 121.690 121.690 120.873 0.817 17805 6811 1 16 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.216 0.002 17805 6812 1 16 . 1 1 31 31 PHE C C 31 173.970 173.970 177.501 -3.531 17805 6813 1 16 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.100 0.867 17805 6814 1 16 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.399 -0.025 17805 6815 1 16 . 1 1 31 31 PHE H H 31 8.039 8.039 7.806 0.233 17805 6816 1 16 . 1 1 32 32 LEU N N 32 118.232 118.232 117.346 0.886 17805 6817 1 16 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.964 -0.327 17805 6818 1 16 . 1 1 32 32 LEU C C 32 172.367 172.367 178.188 -5.821 17805 6819 1 16 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.881 -0.173 17805 6820 1 16 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.843 0.427 17805 6821 1 16 . 1 1 32 32 LEU H H 32 8.776 8.776 8.200 0.576 17805 6822 1 16 . 1 1 33 33 LYS N N 33 125.920 125.920 119.412 6.508 17805 6823 1 16 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.045 -0.243 17805 6824 1 16 . 1 1 33 33 LYS C C 33 173.820 173.820 178.661 -4.841 17805 6825 1 16 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.452 1.664 17805 6826 1 16 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.234 0.467 17805 6827 1 16 . 1 1 33 33 LYS H H 33 8.237 8.237 8.478 -0.241 17805 6828 1 16 . 1 1 34 34 THR N N 34 114.544 114.544 113.880 0.664 17805 6829 1 16 . 1 1 34 34 THR HA H 34 3.773 3.773 4.063 -0.290 17805 6830 1 16 . 1 1 34 34 THR C C 34 177.649 177.649 175.302 2.347 17805 6831 1 16 . 1 1 34 34 THR CA C 34 65.749 65.749 64.427 1.322 17805 6832 1 16 . 1 1 34 34 THR CB C 34 68.620 68.620 68.488 0.132 17805 6833 1 16 . 1 1 34 34 THR H H 34 7.281 7.281 7.438 -0.157 17805 6834 1 16 . 1 1 35 35 LEU N N 35 117.590 117.590 118.957 -1.367 17805 6835 1 16 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.299 -0.281 17805 6836 1 16 . 1 1 35 35 LEU C C 35 175.105 175.105 177.663 -2.558 17805 6837 1 16 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.991 1.024 17805 6838 1 16 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.303 1.700 17805 6839 1 16 . 1 1 35 35 LEU H H 35 6.752 6.752 7.296 -0.544 17805 6840 1 16 . 1 1 36 36 THR N N 36 104.865 104.865 108.943 -4.078 17805 6841 1 16 . 1 1 36 36 THR HA H 36 3.967 3.967 4.332 -0.365 17805 6842 1 16 . 1 1 36 36 THR C C 36 178.094 178.094 176.184 1.910 17805 6843 1 16 . 1 1 36 36 THR CA C 36 62.756 62.756 61.577 1.179 17805 6844 1 16 . 1 1 36 36 THR CB C 36 72.343 72.343 70.698 1.645 17805 6845 1 16 . 1 1 36 36 THR H H 36 7.675 7.675 7.736 -0.061 17805 6846 1 16 . 1 1 37 37 GLY N N 37 109.795 109.795 110.386 -0.591 17805 6847 1 16 . 1 1 37 37 GLY C C 37 179.368 179.368 173.241 6.127 17805 6848 1 16 . 1 1 37 37 GLY CA C 37 45.559 45.559 46.013 -0.454 17805 6849 1 16 . 1 1 37 37 GLY H H 37 7.971 7.971 8.421 -0.450 17805 6850 1 16 . 1 1 38 38 VAL N N 38 122.557 122.557 122.241 0.316 17805 6851 1 16 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.317 -0.679 17805 6852 1 16 . 1 1 38 38 VAL C C 38 177.289 177.289 174.231 3.058 17805 6853 1 16 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.319 2.118 17805 6854 1 16 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.513 -2.123 17805 6855 1 16 . 1 1 38 38 VAL H H 38 7.533 7.533 7.113 0.420 17805 6856 1 16 . 1 1 39 39 LEU N N 39 127.828 127.828 124.072 3.756 17805 6857 1 16 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.886 -0.892 17805 6858 1 16 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.827 3.610 17805 6859 1 16 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.316 0.241 17805 6860 1 16 . 1 1 39 39 LEU H H 39 8.634 8.634 8.246 0.388 17805 6861 1 16 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.573 -0.734 17805 6862 1 16 . 1 1 40 40 PRO C C 40 174.857 174.857 177.343 -2.486 17805 6863 1 16 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.638 2.351 17805 6864 1 16 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.930 0.392 17805 6865 1 16 . 1 1 41 41 GLU N N 41 114.752 114.752 115.461 -0.709 17805 6866 1 16 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.101 -0.030 17805 6867 1 16 . 1 1 41 41 GLU C C 41 176.350 176.350 177.474 -1.124 17805 6868 1 16 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.991 0.947 17805 6869 1 16 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.071 -0.247 17805 6870 1 16 . 1 1 41 41 GLU H H 41 9.746 9.746 8.700 1.046 17805 6871 1 16 . 1 1 42 42 ARG N N 42 118.145 118.145 116.958 1.187 17805 6872 1 16 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.424 -0.109 17805 6873 1 16 . 1 1 42 42 ARG C C 42 177.731 177.731 176.493 1.238 17805 6874 1 16 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.762 -1.314 17805 6875 1 16 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.951 -0.846 17805 6876 1 16 . 1 1 42 42 ARG H H 42 7.938 7.938 7.537 0.401 17805 6877 1 16 . 1 1 43 43 GLN N N 43 118.250 118.250 116.014 2.236 17805 6878 1 16 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.624 -0.373 17805 6879 1 16 . 1 1 43 43 GLN C C 43 176.186 176.186 173.940 2.246 17805 6880 1 16 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.271 2.266 17805 6881 1 16 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.117 -1.125 17805 6882 1 16 . 1 1 43 43 GLN H H 43 7.034 7.034 7.608 -0.574 17805 6883 1 16 . 1 1 44 44 LYS N N 44 122.693 122.693 118.675 4.018 17805 6884 1 16 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.700 -0.236 17805 6885 1 16 . 1 1 44 44 LYS C C 44 178.040 178.040 174.487 3.553 17805 6886 1 16 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.754 0.798 17805 6887 1 16 . 1 1 44 44 LYS CB C 44 34.325 34.325 35.020 -0.695 17805 6888 1 16 . 1 1 44 44 LYS H H 44 8.806 8.806 8.095 0.711 17805 6889 1 16 . 1 1 45 45 LEU N N 45 124.806 124.806 122.893 1.913 17805 6890 1 16 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.796 0.147 17805 6891 1 16 . 1 1 45 45 LEU C C 45 176.506 176.506 177.781 -1.275 17805 6892 1 16 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.449 0.093 17805 6893 1 16 . 1 1 45 45 LEU CB C 45 41.821 41.821 43.325 -1.504 17805 6894 1 16 . 1 1 45 45 LEU H H 45 8.704 8.704 8.614 0.090 17805 6895 1 16 . 1 1 46 46 LEU N N 46 124.709 124.709 124.576 0.133 17805 6896 1 16 . 1 1 46 46 LEU HA H 46 4.358 4.358 3.962 0.396 17805 6897 1 16 . 1 1 46 46 LEU C C 46 175.289 175.289 176.974 -1.685 17805 6898 1 16 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.041 -1.282 17805 6899 1 16 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.092 0.434 17805 6900 1 16 . 1 1 46 46 LEU H H 46 8.751 8.751 8.531 0.220 17805 6901 1 16 . 1 1 47 47 GLY N N 47 109.276 109.276 112.478 -3.202 17805 6902 1 16 . 1 1 47 47 GLY C C 47 179.057 179.057 172.572 6.485 17805 6903 1 16 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.401 0.159 17805 6904 1 16 . 1 1 47 47 GLY H H 47 8.300 8.300 8.406 -0.106 17805 6905 1 16 . 1 1 48 48 LEU N N 48 119.707 119.707 119.777 -0.070 17805 6906 1 16 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.574 0.016 17805 6907 1 16 . 1 1 48 48 LEU C C 48 177.598 177.598 174.613 2.985 17805 6908 1 16 . 1 1 48 48 LEU CA C 48 53.945 53.945 54.642 -0.697 17805 6909 1 16 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.680 -4.266 17805 6910 1 16 . 1 1 48 48 LEU H H 48 7.581 7.581 8.276 -0.695 17805 6911 1 16 . 1 1 49 49 LYS N N 49 124.527 124.527 120.024 4.503 17805 6912 1 16 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.867 -0.015 17805 6913 1 16 . 1 1 49 49 LYS C C 49 178.059 178.059 175.064 2.995 17805 6914 1 16 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.764 0.899 17805 6915 1 16 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.990 3.591 17805 6916 1 16 . 1 1 49 49 LYS H H 49 8.606 8.606 8.165 0.441 17805 6917 1 16 . 1 1 50 50 VAL N N 50 119.184 119.184 122.168 -2.984 17805 6918 1 16 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.374 -0.261 17805 6919 1 16 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.589 1.276 17805 6920 1 16 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.577 1.157 17805 6921 1 16 . 1 1 50 50 VAL H H 50 8.799 8.799 8.485 0.314 17805 6922 1 16 . 1 1 51 51 LYS N N 51 127.069 127.069 127.165 -0.096 17805 6923 1 16 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.999 -0.175 17805 6924 1 16 . 1 1 51 51 LYS C C 51 176.418 176.418 176.255 0.163 17805 6925 1 16 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.938 0.469 17805 6926 1 16 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.401 0.254 17805 6927 1 16 . 1 1 51 51 LYS H H 51 9.451 9.451 9.218 0.233 17805 6928 1 16 . 1 1 52 52 GLY N N 52 102.671 102.671 103.478 -0.807 17805 6929 1 16 . 1 1 52 52 GLY C C 52 179.392 179.392 174.052 5.340 17805 6930 1 16 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.033 0.777 17805 6931 1 16 . 1 1 52 52 GLY H H 52 8.512 8.512 8.188 0.324 17805 6932 1 16 . 1 1 53 53 LYS N N 53 121.307 121.307 121.737 -0.430 17805 6933 1 16 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.689 0.140 17805 6934 1 16 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.142 0.474 17805 6935 1 16 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.221 0.719 17805 6936 1 16 . 1 1 53 53 LYS H H 53 7.781 7.781 7.864 -0.083 17805 6937 1 16 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.382 -0.006 17805 6938 1 16 . 1 1 54 54 PRO C C 54 175.954 175.954 176.085 -0.131 17805 6939 1 16 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.714 1.103 17805 6940 1 16 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.893 2.258 17805 6941 1 16 . 1 1 55 55 ALA N N 55 125.654 125.654 123.027 2.627 17805 6942 1 16 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.905 0.233 17805 6943 1 16 . 1 1 55 55 ALA C C 55 175.977 175.977 177.024 -1.047 17805 6944 1 16 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.610 0.054 17805 6945 1 16 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.230 1.813 17805 6946 1 16 . 1 1 55 55 ALA H H 55 8.114 8.114 8.182 -0.068 17805 6947 1 16 . 1 1 56 56 GLU N N 56 122.313 122.313 121.072 1.241 17805 6948 1 16 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.078 0.137 17805 6949 1 16 . 1 1 56 56 GLU C C 56 176.924 176.924 177.907 -0.983 17805 6950 1 16 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.129 -0.040 17805 6951 1 16 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.366 0.720 17805 6952 1 16 . 1 1 56 56 GLU H H 56 8.179 8.179 8.359 -0.180 17805 6953 1 16 . 1 1 57 57 ASN N N 57 115.140 115.140 118.937 -3.797 17805 6954 1 16 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.438 -0.209 17805 6955 1 16 . 1 1 57 57 ASN C C 57 177.457 177.457 176.128 1.329 17805 6956 1 16 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.416 -1.217 17805 6957 1 16 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.581 0.646 17805 6958 1 16 . 1 1 57 57 ASN H H 57 8.504 8.504 8.769 -0.265 17805 6959 1 16 . 1 1 58 58 ASP N N 58 112.832 112.832 116.600 -3.768 17805 6960 1 16 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.548 -0.060 17805 6961 1 16 . 1 1 58 58 ASP C C 58 177.255 177.255 175.789 1.466 17805 6962 1 16 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.811 -1.203 17805 6963 1 16 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.312 -0.008 17805 6964 1 16 . 1 1 58 58 ASP H H 58 8.198 8.198 8.465 -0.267 17805 6965 1 16 . 1 1 59 59 VAL N N 59 122.073 122.073 120.845 1.228 17805 6966 1 16 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.937 -0.344 17805 6967 1 16 . 1 1 59 59 VAL C C 59 177.321 177.321 176.070 1.251 17805 6968 1 16 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.170 1.670 17805 6969 1 16 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.186 0.136 17805 6970 1 16 . 1 1 59 59 VAL H H 59 7.353 7.353 7.242 0.111 17805 6971 1 16 . 1 1 60 60 LYS N N 60 125.064 125.064 126.507 -1.443 17805 6972 1 16 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.112 0.335 17805 6973 1 16 . 1 1 60 60 LYS C C 60 174.649 174.649 177.166 -2.517 17805 6974 1 16 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.884 -0.699 17805 6975 1 16 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.630 0.475 17805 6976 1 16 . 1 1 60 60 LYS H H 60 8.339 8.339 8.404 -0.065 17805 6977 1 16 . 1 1 61 61 LEU N N 61 121.612 121.612 121.228 0.384 17805 6978 1 16 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.231 -0.455 17805 6979 1 16 . 1 1 61 61 LEU C C 61 171.906 171.906 179.120 -7.214 17805 6980 1 16 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.031 0.956 17805 6981 1 16 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.969 -0.137 17805 6982 1 16 . 1 1 61 61 LEU H H 61 9.423 9.423 8.466 0.957 17805 6983 1 16 . 1 1 62 62 GLY N N 62 104.008 104.008 105.062 -1.054 17805 6984 1 16 . 1 1 62 62 GLY C C 62 177.869 177.869 175.061 2.808 17805 6985 1 16 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.795 -0.023 17805 6986 1 16 . 1 1 62 62 GLY H H 62 9.107 9.107 7.643 1.464 17805 6987 1 16 . 1 1 63 63 ALA N N 63 122.025 122.025 123.417 -1.392 17805 6988 1 16 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.112 0.161 17805 6989 1 16 . 1 1 63 63 ALA C C 63 174.499 174.499 178.176 -3.677 17805 6990 1 16 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.256 -0.835 17805 6991 1 16 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.855 -0.039 17805 6992 1 16 . 1 1 63 63 ALA H H 63 7.755 7.755 8.058 -0.303 17805 6993 1 16 . 1 1 64 64 LEU N N 64 115.454 115.454 113.856 1.598 17805 6994 1 16 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.534 -0.466 17805 6995 1 16 . 1 1 64 64 LEU C C 64 177.197 177.197 177.705 -0.508 17805 6996 1 16 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.354 0.213 17805 6997 1 16 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.336 -0.200 17805 6998 1 16 . 1 1 64 64 LEU H H 64 7.214 7.214 7.496 -0.282 17805 6999 1 16 . 1 1 65 65 LYS N N 65 114.830 114.830 118.599 -3.769 17805 7000 1 16 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.063 -0.225 17805 7001 1 16 . 1 1 65 65 LYS C C 65 177.061 177.061 176.895 0.166 17805 7002 1 16 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.678 -1.940 17805 7003 1 16 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.004 -3.697 17805 7004 1 16 . 1 1 65 65 LYS H H 65 7.642 7.642 7.979 -0.337 17805 7005 1 16 . 1 1 66 66 LEU N N 66 119.305 119.305 111.226 8.079 17805 7006 1 16 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.544 -0.381 17805 7007 1 16 . 1 1 66 66 LEU C C 66 175.393 175.393 175.799 -0.406 17805 7008 1 16 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.576 0.271 17805 7009 1 16 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.523 0.189 17805 7010 1 16 . 1 1 66 66 LEU H H 66 8.516 8.516 7.487 1.030 17805 7011 1 16 . 1 1 67 67 LYS N N 67 121.480 121.480 120.607 0.873 17805 7012 1 16 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.611 -0.114 17805 7013 1 16 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.938 -1.786 17805 7014 1 16 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.547 0.452 17805 7015 1 16 . 1 1 67 67 LYS H H 67 7.955 7.955 8.381 -0.426 17805 7016 1 16 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.327 -0.158 17805 7017 1 16 . 1 1 68 68 PRO C C 68 176.609 176.609 177.691 -1.082 17805 7018 1 16 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.508 -1.119 17805 7019 1 16 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.110 0.104 17805 7020 1 16 . 1 1 69 69 ASN N N 69 115.414 115.414 116.663 -1.249 17805 7021 1 16 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.523 -0.561 17805 7022 1 16 . 1 1 69 69 ASN C C 69 178.824 178.824 175.957 2.867 17805 7023 1 16 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.727 0.294 17805 7024 1 16 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.490 -0.443 17805 7025 1 16 . 1 1 69 69 ASN H H 69 8.966 8.966 8.651 0.315 17805 7026 1 16 . 1 1 70 70 THR N N 70 115.426 115.426 116.810 -1.384 17805 7027 1 16 . 1 1 70 70 THR HA H 70 3.949 3.949 4.395 -0.446 17805 7028 1 16 . 1 1 70 70 THR C C 70 180.592 180.592 173.698 6.894 17805 7029 1 16 . 1 1 70 70 THR CA C 70 65.247 65.247 63.349 1.898 17805 7030 1 16 . 1 1 70 70 THR CB C 70 70.132 70.132 69.710 0.422 17805 7031 1 16 . 1 1 70 70 THR H H 70 7.712 7.712 7.547 0.165 17805 7032 1 16 . 1 1 71 71 LYS N N 71 124.603 124.603 123.577 1.026 17805 7033 1 16 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.981 0.198 17805 7034 1 16 . 1 1 71 71 LYS C C 71 177.157 177.157 176.358 0.799 17805 7035 1 16 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.475 -0.135 17805 7036 1 16 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.803 -0.074 17805 7037 1 16 . 1 1 71 71 LYS H H 71 8.284 8.284 8.286 -0.002 17805 7038 1 16 . 1 1 72 72 ILE N N 72 123.505 123.505 119.708 3.797 17805 7039 1 16 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.539 -0.028 17805 7040 1 16 . 1 1 72 72 ILE C C 72 178.360 178.360 174.911 3.449 17805 7041 1 16 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.473 0.163 17805 7042 1 16 . 1 1 72 72 ILE CB C 72 40.827 40.827 41.143 -0.316 17805 7043 1 16 . 1 1 72 72 ILE H H 72 9.142 9.142 9.095 0.047 17805 7044 1 16 . 1 1 73 73 MET N N 73 123.090 123.090 121.308 1.782 17805 7045 1 16 . 1 1 73 73 MET HA H 73 5.122 5.122 4.938 0.184 17805 7046 1 16 . 1 1 73 73 MET C C 73 179.095 179.095 175.254 3.841 17805 7047 1 16 . 1 1 73 73 MET CA C 73 54.949 54.949 54.808 0.141 17805 7048 1 16 . 1 1 73 73 MET CB C 73 35.143 35.143 35.589 -0.446 17805 7049 1 16 . 1 1 73 73 MET H H 73 8.556 8.556 8.675 -0.119 17805 7050 1 16 . 1 1 74 74 MET N N 74 124.481 124.481 121.915 2.566 17805 7051 1 16 . 1 1 74 74 MET HA H 74 5.288 5.288 4.694 0.594 17805 7052 1 16 . 1 1 74 74 MET C C 74 178.476 178.476 175.254 3.222 17805 7053 1 16 . 1 1 74 74 MET CA C 74 54.862 54.862 55.208 -0.346 17805 7054 1 16 . 1 1 74 74 MET CB C 74 36.294 36.294 34.353 1.941 17805 7055 1 16 . 1 1 74 74 MET H H 74 8.924 8.924 8.891 0.033 17805 7056 1 16 . 1 1 75 75 MET N N 75 123.963 123.963 124.870 -0.907 17805 7057 1 16 . 1 1 75 75 MET HA H 75 5.093 5.093 4.840 0.253 17805 7058 1 16 . 1 1 75 75 MET C C 75 177.842 177.842 174.828 3.014 17805 7059 1 16 . 1 1 75 75 MET CA C 75 54.265 54.265 54.450 -0.185 17805 7060 1 16 . 1 1 75 75 MET CB C 75 35.566 35.566 33.074 2.492 17805 7061 1 16 . 1 1 75 75 MET H H 75 9.112 9.112 8.129 0.983 17805 7062 1 16 . 1 1 76 76 GLY N N 76 109.773 109.773 111.051 -1.278 17805 7063 1 16 . 1 1 76 76 GLY C C 76 180.165 180.165 172.555 7.610 17805 7064 1 16 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.472 0.429 17805 7065 1 16 . 1 1 76 76 GLY H H 76 8.711 8.711 8.306 0.405 17805 7066 1 16 . 1 1 77 77 THR N N 77 113.345 113.345 113.579 -0.234 17805 7067 1 16 . 1 1 77 77 THR HA H 77 4.787 4.787 4.854 -0.067 17805 7068 1 16 . 1 1 77 77 THR C C 77 178.955 178.955 173.414 5.541 17805 7069 1 16 . 1 1 77 77 THR CA C 77 60.728 60.728 60.380 0.348 17805 7070 1 16 . 1 1 77 77 THR CB C 77 71.481 71.481 71.180 0.301 17805 7071 1 16 . 1 1 77 77 THR H H 77 8.280 8.280 8.017 0.263 17805 7072 1 16 . 1 1 78 78 ARG N N 78 122.844 122.844 121.438 1.406 17805 7073 1 16 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.518 -0.370 17805 7074 1 16 . 1 1 78 78 ARG C C 78 177.011 177.011 175.551 1.460 17805 7075 1 16 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.454 2.427 17805 7076 1 16 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.363 0.244 17805 7077 1 16 . 1 1 78 78 ARG H H 78 8.852 8.852 8.669 0.183 17805 7078 1 16 . 1 1 79 79 GLU N N 79 122.181 122.181 120.477 1.704 17805 7079 1 16 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.460 -0.254 17805 7080 1 16 . 1 1 79 79 GLU C C 79 176.784 176.784 175.936 0.848 17805 7081 1 16 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.312 1.695 17805 7082 1 16 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.936 -0.172 17805 7083 1 16 . 1 1 79 79 GLU H H 79 8.300 8.300 8.493 -0.193 17805 7084 1 16 . 1 1 80 80 GLU N N 80 126.965 126.965 122.194 4.771 17805 7085 1 16 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.461 -0.412 17805 7086 1 16 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.276 2.052 17805 7087 1 16 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.565 1.722 17805 7088 1 16 . 1 1 80 80 GLU H H 80 8.015 8.015 8.531 -0.516 17805 7089 1 17 . 1 1 2 2 ALA N N 2 126.014 126.014 125.083 0.931 17805 7090 1 17 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.628 -0.595 17805 7091 1 17 . 1 1 2 2 ALA C C 2 176.202 176.202 176.065 0.137 17805 7092 1 17 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.320 1.895 17805 7093 1 17 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.785 -0.409 17805 7094 1 17 . 1 1 2 2 ALA H H 2 8.410 8.410 8.482 -0.072 17805 7095 1 17 . 1 1 3 3 LEU N N 3 123.255 123.255 124.708 -1.453 17805 7096 1 17 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.636 0.010 17805 7097 1 17 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.723 0.094 17805 7098 1 17 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.848 0.709 17805 7099 1 17 . 1 1 3 3 LEU H H 3 8.271 8.271 8.546 -0.276 17805 7100 1 17 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.743 -0.137 17805 7101 1 17 . 1 1 4 4 PRO C C 4 179.796 179.796 175.583 4.213 17805 7102 1 17 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.319 0.921 17805 7103 1 17 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.880 -0.810 17805 7104 1 17 . 1 1 5 5 ILE N N 5 122.161 122.161 117.610 4.551 17805 7105 1 17 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.793 -0.434 17805 7106 1 17 . 1 1 5 5 ILE C C 5 179.202 179.202 175.640 3.562 17805 7107 1 17 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.166 0.667 17805 7108 1 17 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.511 1.433 17805 7109 1 17 . 1 1 5 5 ILE H H 5 8.317 8.317 7.780 0.537 17805 7110 1 17 . 1 1 6 6 ILE N N 6 125.649 125.649 127.543 -1.894 17805 7111 1 17 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.560 0.361 17805 7112 1 17 . 1 1 6 6 ILE C C 6 178.393 178.393 174.672 3.721 17805 7113 1 17 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.058 -1.193 17805 7114 1 17 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.922 0.342 17805 7115 1 17 . 1 1 6 6 ILE H H 6 8.408 8.408 8.222 0.186 17805 7116 1 17 . 1 1 7 7 VAL N N 7 125.741 125.741 127.350 -1.609 17805 7117 1 17 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.836 0.094 17805 7118 1 17 . 1 1 7 7 VAL C C 7 178.215 178.215 173.965 4.250 17805 7119 1 17 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.306 0.056 17805 7120 1 17 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.288 -1.529 17805 7121 1 17 . 1 1 7 7 VAL H H 7 9.155 9.155 9.004 0.151 17805 7122 1 17 . 1 1 8 8 LYS N N 8 128.098 128.098 127.983 0.115 17805 7123 1 17 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.458 -0.226 17805 7124 1 17 . 1 1 8 8 LYS C C 8 178.353 178.353 174.327 4.026 17805 7125 1 17 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.937 0.338 17805 7126 1 17 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.640 -0.705 17805 7127 1 17 . 1 1 8 8 LYS H H 8 9.174 9.174 8.872 0.302 17805 7128 1 17 . 1 1 9 9 TRP N N 9 125.952 125.952 128.014 -2.062 17805 7129 1 17 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.123 0.062 17805 7130 1 17 . 1 1 9 9 TRP C C 9 176.432 176.432 175.619 0.813 17805 7131 1 17 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.671 1.063 17805 7132 1 17 . 1 1 9 9 TRP CB C 9 31.561 31.561 33.185 -1.624 17805 7133 1 17 . 1 1 9 9 TRP H H 9 8.844 8.844 9.251 -0.407 17805 7134 1 17 . 1 1 10 10 GLY N N 10 117.044 117.044 114.258 2.786 17805 7135 1 17 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.528 1.573 17805 7136 1 17 . 1 1 10 10 GLY H H 10 8.683 8.683 8.593 0.090 17805 7137 1 17 . 1 1 11 11 GLY N N 11 109.364 109.364 105.558 3.806 17805 7138 1 17 . 1 1 11 11 GLY C C 11 179.353 179.353 174.825 4.528 17805 7139 1 17 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.962 0.498 17805 7140 1 17 . 1 1 11 11 GLY H H 11 8.600 8.600 8.349 0.251 17805 7141 1 17 . 1 1 12 12 GLN N N 12 119.388 119.388 120.234 -0.846 17805 7142 1 17 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.224 0.259 17805 7143 1 17 . 1 1 12 12 GLN C C 12 179.098 179.098 174.683 4.415 17805 7144 1 17 . 1 1 12 12 GLN CA C 12 54.502 54.502 55.232 -0.730 17805 7145 1 17 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.937 2.241 17805 7146 1 17 . 1 1 12 12 GLN H H 12 7.865 7.865 7.941 -0.076 17805 7147 1 17 . 1 1 13 13 GLU N N 13 119.756 119.756 121.677 -1.921 17805 7148 1 17 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.309 -0.429 17805 7149 1 17 . 1 1 13 13 GLU C C 13 177.641 177.641 175.240 2.401 17805 7150 1 17 . 1 1 13 13 GLU CA C 13 55.655 55.655 54.665 0.990 17805 7151 1 17 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.475 -0.169 17805 7152 1 17 . 1 1 13 13 GLU H H 13 8.172 8.172 8.212 -0.040 17805 7153 1 17 . 1 1 14 14 TYR N N 14 122.812 122.812 124.036 -1.224 17805 7154 1 17 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.774 -0.173 17805 7155 1 17 . 1 1 14 14 TYR C C 14 177.990 177.990 174.892 3.098 17805 7156 1 17 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.748 0.498 17805 7157 1 17 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.293 -0.749 17805 7158 1 17 . 1 1 14 14 TYR H H 14 9.381 9.381 8.996 0.385 17805 7159 1 17 . 1 1 15 15 SER N N 15 118.339 118.339 118.879 -0.540 17805 7160 1 17 . 1 1 15 15 SER HA H 15 4.747 4.747 5.270 -0.523 17805 7161 1 17 . 1 1 15 15 SER C C 15 178.924 178.924 173.973 4.951 17805 7162 1 17 . 1 1 15 15 SER CA C 15 58.099 58.099 57.182 0.917 17805 7163 1 17 . 1 1 15 15 SER CB C 15 63.394 63.394 64.994 -1.600 17805 7164 1 17 . 1 1 15 15 SER H H 15 8.802 8.802 8.755 0.047 17805 7165 1 17 . 1 1 16 16 VAL N N 16 128.611 128.611 120.288 8.323 17805 7166 1 17 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.395 -0.190 17805 7167 1 17 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.632 1.712 17805 7168 1 17 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.699 -1.171 17805 7169 1 17 . 1 1 16 16 VAL H H 16 9.005 9.005 8.496 0.509 17805 7170 1 17 . 1 1 17 17 THR N N 17 116.170 116.170 115.243 0.927 17805 7171 1 17 . 1 1 17 17 THR HA H 17 4.533 4.533 4.485 0.048 17805 7172 1 17 . 1 1 17 17 THR C C 17 177.649 177.649 173.922 3.727 17805 7173 1 17 . 1 1 17 17 THR CA C 17 62.331 62.331 62.036 0.295 17805 7174 1 17 . 1 1 17 17 THR CB C 17 70.040 70.040 68.855 1.185 17805 7175 1 17 . 1 1 17 17 THR H H 17 8.746 8.746 8.240 0.506 17805 7176 1 17 . 1 1 18 18 THR N N 18 107.517 107.517 114.177 -6.660 17805 7177 1 17 . 1 1 18 18 THR HA H 18 4.173 4.173 4.322 -0.149 17805 7178 1 17 . 1 1 18 18 THR C C 18 178.498 178.498 173.499 4.999 17805 7179 1 17 . 1 1 18 18 THR CA C 18 61.772 61.772 62.384 -0.612 17805 7180 1 17 . 1 1 18 18 THR CB C 18 69.121 69.121 69.047 0.074 17805 7181 1 17 . 1 1 18 18 THR H H 18 6.812 6.812 8.050 -1.238 17805 7182 1 17 . 1 1 19 19 LEU N N 19 123.019 123.019 117.519 5.500 17805 7183 1 17 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.709 -0.126 17805 7184 1 17 . 1 1 19 19 LEU C C 19 177.299 177.299 174.705 2.594 17805 7185 1 17 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.646 1.534 17805 7186 1 17 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.751 -2.040 17805 7187 1 17 . 1 1 19 19 LEU H H 19 8.388 8.388 7.177 1.211 17805 7188 1 17 . 1 1 20 20 SER N N 20 117.870 117.870 113.185 4.685 17805 7189 1 17 . 1 1 20 20 SER HA H 20 4.863 4.863 5.086 -0.223 17805 7190 1 17 . 1 1 20 20 SER C C 20 177.249 177.249 175.636 1.613 17805 7191 1 17 . 1 1 20 20 SER CA C 20 56.832 56.832 56.203 0.629 17805 7192 1 17 . 1 1 20 20 SER CB C 20 67.845 67.845 66.720 1.125 17805 7193 1 17 . 1 1 20 20 SER H H 20 9.714 9.714 8.076 1.638 17805 7194 1 17 . 1 1 21 21 GLU N N 21 116.130 116.130 122.773 -6.643 17805 7195 1 17 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.896 -0.156 17805 7196 1 17 . 1 1 21 21 GLU C C 21 176.555 176.555 176.347 0.208 17805 7197 1 17 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.729 -0.595 17805 7198 1 17 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.238 1.616 17805 7199 1 17 . 1 1 21 21 GLU H H 21 8.491 8.491 8.992 -0.501 17805 7200 1 17 . 1 1 22 22 ASP N N 22 115.741 115.741 114.881 0.860 17805 7201 1 17 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.497 0.153 17805 7202 1 17 . 1 1 22 22 ASP C C 22 176.555 176.555 176.390 0.165 17805 7203 1 17 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.554 0.602 17805 7204 1 17 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.052 2.527 17805 7205 1 17 . 1 1 22 22 ASP H H 22 7.936 7.936 7.709 0.227 17805 7206 1 17 . 1 1 23 23 ASP N N 23 119.945 119.945 120.797 -0.852 17805 7207 1 17 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.589 0.252 17805 7208 1 17 . 1 1 23 23 ASP C C 23 178.264 178.264 175.620 2.644 17805 7209 1 17 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.127 -0.904 17805 7210 1 17 . 1 1 23 23 ASP CB C 23 42.782 42.782 43.028 -0.246 17805 7211 1 17 . 1 1 23 23 ASP H H 23 7.313 7.313 8.157 -0.844 17805 7212 1 17 . 1 1 24 24 THR N N 24 107.918 107.918 106.594 1.324 17805 7213 1 17 . 1 1 24 24 THR HA H 24 5.328 5.328 4.463 0.865 17805 7214 1 17 . 1 1 24 24 THR C C 24 176.363 176.363 174.165 2.198 17805 7215 1 17 . 1 1 24 24 THR CA C 24 60.989 60.989 61.522 -0.533 17805 7216 1 17 . 1 1 24 24 THR CB C 24 74.287 74.287 71.135 3.152 17805 7217 1 17 . 1 1 24 24 THR H H 24 9.630 9.630 7.490 2.140 17805 7218 1 17 . 1 1 25 25 VAL N N 25 120.192 120.192 123.347 -3.155 17805 7219 1 17 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.734 -0.400 17805 7220 1 17 . 1 1 25 25 VAL C C 25 175.092 175.092 177.404 -2.312 17805 7221 1 17 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.903 0.723 17805 7222 1 17 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.823 0.326 17805 7223 1 17 . 1 1 25 25 VAL H H 25 8.260 8.260 8.998 -0.738 17805 7224 1 17 . 1 1 26 26 LEU N N 26 119.941 119.941 118.891 1.050 17805 7225 1 17 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.025 -0.153 17805 7226 1 17 . 1 1 26 26 LEU C C 26 174.996 174.996 178.245 -3.249 17805 7227 1 17 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.287 0.305 17805 7228 1 17 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.196 0.520 17805 7229 1 17 . 1 1 26 26 LEU H H 26 8.523 8.523 8.352 0.171 17805 7230 1 17 . 1 1 27 27 ASP N N 27 118.322 118.322 119.753 -1.431 17805 7231 1 17 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.441 -0.168 17805 7232 1 17 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.023 1.640 17805 7233 1 17 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.970 -0.039 17805 7234 1 17 . 1 1 27 27 ASP H H 27 7.581 7.581 8.113 -0.532 17805 7235 1 17 . 1 1 28 28 LEU N N 28 122.021 122.021 121.300 0.721 17805 7236 1 17 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.158 -0.075 17805 7237 1 17 . 1 1 28 28 LEU C C 28 175.514 175.514 178.657 -3.143 17805 7238 1 17 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.753 1.019 17805 7239 1 17 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.275 -1.050 17805 7240 1 17 . 1 1 28 28 LEU H H 28 7.837 7.837 7.932 -0.095 17805 7241 1 17 . 1 1 29 29 LYS N N 29 119.086 119.086 119.250 -0.164 17805 7242 1 17 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.895 0.625 17805 7243 1 17 . 1 1 29 29 LYS C C 29 172.261 172.261 178.709 -6.448 17805 7244 1 17 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.840 -0.053 17805 7245 1 17 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.881 2.416 17805 7246 1 17 . 1 1 29 29 LYS H H 29 8.467 8.467 8.711 -0.244 17805 7247 1 17 . 1 1 30 30 GLN N N 30 119.268 119.268 118.341 0.927 17805 7248 1 17 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.023 -0.091 17805 7249 1 17 . 1 1 30 30 GLN C C 30 174.240 174.240 178.482 -4.242 17805 7250 1 17 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.530 1.133 17805 7251 1 17 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.151 -0.346 17805 7252 1 17 . 1 1 30 30 GLN H H 30 9.049 9.049 7.836 1.213 17805 7253 1 17 . 1 1 31 31 PHE N N 31 121.690 121.690 120.829 0.861 17805 7254 1 17 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.220 -0.002 17805 7255 1 17 . 1 1 31 31 PHE C C 31 173.970 173.970 177.473 -3.503 17805 7256 1 17 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.220 0.747 17805 7257 1 17 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.539 -0.165 17805 7258 1 17 . 1 1 31 31 PHE H H 31 8.039 8.039 7.868 0.171 17805 7259 1 17 . 1 1 32 32 LEU N N 32 118.232 118.232 117.015 1.217 17805 7260 1 17 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.104 -0.467 17805 7261 1 17 . 1 1 32 32 LEU C C 32 172.367 172.367 178.717 -6.350 17805 7262 1 17 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.836 -0.128 17805 7263 1 17 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.911 0.359 17805 7264 1 17 . 1 1 32 32 LEU H H 32 8.776 8.776 8.116 0.660 17805 7265 1 17 . 1 1 33 33 LYS N N 33 125.920 125.920 120.658 5.262 17805 7266 1 17 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.137 -0.335 17805 7267 1 17 . 1 1 33 33 LYS C C 33 173.820 173.820 178.333 -4.513 17805 7268 1 17 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.591 1.525 17805 7269 1 17 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.291 0.410 17805 7270 1 17 . 1 1 33 33 LYS H H 33 8.237 8.237 8.713 -0.476 17805 7271 1 17 . 1 1 34 34 THR N N 34 114.544 114.544 113.476 1.068 17805 7272 1 17 . 1 1 34 34 THR HA H 34 3.773 3.773 4.071 -0.298 17805 7273 1 17 . 1 1 34 34 THR C C 34 177.649 177.649 175.527 2.122 17805 7274 1 17 . 1 1 34 34 THR CA C 34 65.749 65.749 64.632 1.117 17805 7275 1 17 . 1 1 34 34 THR CB C 34 68.620 68.620 68.664 -0.044 17805 7276 1 17 . 1 1 34 34 THR H H 34 7.281 7.281 7.437 -0.156 17805 7277 1 17 . 1 1 35 35 LEU N N 35 117.590 117.590 119.107 -1.517 17805 7278 1 17 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.187 -0.169 17805 7279 1 17 . 1 1 35 35 LEU C C 35 175.105 175.105 177.552 -2.447 17805 7280 1 17 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.972 1.043 17805 7281 1 17 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.462 1.541 17805 7282 1 17 . 1 1 35 35 LEU H H 35 6.752 6.752 7.406 -0.654 17805 7283 1 17 . 1 1 36 36 THR N N 36 104.865 104.865 108.199 -3.334 17805 7284 1 17 . 1 1 36 36 THR HA H 36 3.967 3.967 4.596 -0.629 17805 7285 1 17 . 1 1 36 36 THR C C 36 178.094 178.094 175.778 2.316 17805 7286 1 17 . 1 1 36 36 THR CA C 36 62.756 62.756 62.010 0.746 17805 7287 1 17 . 1 1 36 36 THR CB C 36 72.343 72.343 70.634 1.709 17805 7288 1 17 . 1 1 36 36 THR H H 36 7.675 7.675 8.024 -0.349 17805 7289 1 17 . 1 1 37 37 GLY N N 37 109.795 109.795 110.232 -0.437 17805 7290 1 17 . 1 1 37 37 GLY C C 37 179.368 179.368 173.807 5.561 17805 7291 1 17 . 1 1 37 37 GLY CA C 37 45.559 45.559 46.393 -0.834 17805 7292 1 17 . 1 1 37 37 GLY H H 37 7.971 7.971 8.238 -0.267 17805 7293 1 17 . 1 1 38 38 VAL N N 38 122.557 122.557 122.331 0.226 17805 7294 1 17 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.026 -0.388 17805 7295 1 17 . 1 1 38 38 VAL C C 38 177.289 177.289 175.287 2.002 17805 7296 1 17 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.790 0.647 17805 7297 1 17 . 1 1 38 38 VAL CB C 38 31.390 31.390 31.613 -0.223 17805 7298 1 17 . 1 1 38 38 VAL H H 38 7.533 7.533 7.474 0.059 17805 7299 1 17 . 1 1 39 39 LEU N N 39 127.828 127.828 122.196 5.632 17805 7300 1 17 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.864 -0.870 17805 7301 1 17 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.844 3.592 17805 7302 1 17 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.775 -0.218 17805 7303 1 17 . 1 1 39 39 LEU H H 39 8.634 8.634 8.231 0.403 17805 7304 1 17 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.616 -0.777 17805 7305 1 17 . 1 1 40 40 PRO C C 40 174.857 174.857 177.375 -2.518 17805 7306 1 17 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.578 2.411 17805 7307 1 17 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.955 0.367 17805 7308 1 17 . 1 1 41 41 GLU N N 41 114.752 114.752 115.376 -0.624 17805 7309 1 17 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.118 -0.047 17805 7310 1 17 . 1 1 41 41 GLU C C 41 176.350 176.350 177.519 -1.169 17805 7311 1 17 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.896 1.042 17805 7312 1 17 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.141 -0.317 17805 7313 1 17 . 1 1 41 41 GLU H H 41 9.746 9.746 8.667 1.079 17805 7314 1 17 . 1 1 42 42 ARG N N 42 118.145 118.145 117.239 0.906 17805 7315 1 17 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.421 -0.106 17805 7316 1 17 . 1 1 42 42 ARG C C 42 177.731 177.731 176.536 1.195 17805 7317 1 17 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.701 -1.253 17805 7318 1 17 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.840 -0.736 17805 7319 1 17 . 1 1 42 42 ARG H H 42 7.938 7.938 7.548 0.390 17805 7320 1 17 . 1 1 43 43 GLN N N 43 118.250 118.250 115.690 2.560 17805 7321 1 17 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.628 -0.377 17805 7322 1 17 . 1 1 43 43 GLN C C 43 176.186 176.186 173.919 2.267 17805 7323 1 17 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.392 2.145 17805 7324 1 17 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.054 -1.062 17805 7325 1 17 . 1 1 43 43 GLN H H 43 7.034 7.034 7.649 -0.615 17805 7326 1 17 . 1 1 44 44 LYS N N 44 122.693 122.693 118.856 3.837 17805 7327 1 17 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.711 -0.247 17805 7328 1 17 . 1 1 44 44 LYS C C 44 178.040 178.040 174.585 3.455 17805 7329 1 17 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.664 0.888 17805 7330 1 17 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.980 -0.655 17805 7331 1 17 . 1 1 44 44 LYS H H 44 8.806 8.806 8.152 0.654 17805 7332 1 17 . 1 1 45 45 LEU N N 45 124.806 124.806 122.942 1.864 17805 7333 1 17 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.775 0.168 17805 7334 1 17 . 1 1 45 45 LEU C C 45 176.506 176.506 177.842 -1.336 17805 7335 1 17 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.603 -0.061 17805 7336 1 17 . 1 1 45 45 LEU CB C 45 41.821 41.821 43.186 -1.365 17805 7337 1 17 . 1 1 45 45 LEU H H 45 8.704 8.704 8.632 0.072 17805 7338 1 17 . 1 1 46 46 LEU N N 46 124.709 124.709 124.792 -0.083 17805 7339 1 17 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.002 0.356 17805 7340 1 17 . 1 1 46 46 LEU C C 46 175.289 175.289 176.904 -1.615 17805 7341 1 17 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.042 -1.283 17805 7342 1 17 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.048 0.478 17805 7343 1 17 . 1 1 46 46 LEU H H 46 8.751 8.751 8.484 0.267 17805 7344 1 17 . 1 1 47 47 GLY N N 47 109.276 109.276 112.608 -3.332 17805 7345 1 17 . 1 1 47 47 GLY C C 47 179.057 179.057 172.647 6.410 17805 7346 1 17 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.502 0.058 17805 7347 1 17 . 1 1 47 47 GLY H H 47 8.300 8.300 8.344 -0.044 17805 7348 1 17 . 1 1 48 48 LEU N N 48 119.707 119.707 119.579 0.128 17805 7349 1 17 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.558 0.032 17805 7350 1 17 . 1 1 48 48 LEU C C 48 177.598 177.598 174.623 2.975 17805 7351 1 17 . 1 1 48 48 LEU CA C 48 53.945 53.945 54.565 -0.620 17805 7352 1 17 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.743 -4.329 17805 7353 1 17 . 1 1 48 48 LEU H H 48 7.581 7.581 8.175 -0.594 17805 7354 1 17 . 1 1 49 49 LYS N N 49 124.527 124.527 120.761 3.766 17805 7355 1 17 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.856 -0.004 17805 7356 1 17 . 1 1 49 49 LYS C C 49 178.059 178.059 175.200 2.859 17805 7357 1 17 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.773 0.890 17805 7358 1 17 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.604 3.977 17805 7359 1 17 . 1 1 49 49 LYS H H 49 8.606 8.606 8.158 0.448 17805 7360 1 17 . 1 1 50 50 VAL N N 50 119.184 119.184 123.744 -4.560 17805 7361 1 17 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.389 -0.276 17805 7362 1 17 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.051 1.814 17805 7363 1 17 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.264 0.471 17805 7364 1 17 . 1 1 50 50 VAL H H 50 8.799 8.799 8.507 0.292 17805 7365 1 17 . 1 1 51 51 LYS N N 51 127.069 127.069 126.920 0.149 17805 7366 1 17 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.955 -0.131 17805 7367 1 17 . 1 1 51 51 LYS C C 51 176.418 176.418 176.244 0.174 17805 7368 1 17 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.147 0.260 17805 7369 1 17 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.186 0.469 17805 7370 1 17 . 1 1 51 51 LYS H H 51 9.451 9.451 9.214 0.237 17805 7371 1 17 . 1 1 52 52 GLY N N 52 102.671 102.671 102.325 0.346 17805 7372 1 17 . 1 1 52 52 GLY C C 52 179.392 179.392 174.904 4.488 17805 7373 1 17 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.972 0.838 17805 7374 1 17 . 1 1 52 52 GLY H H 52 8.512 8.512 8.577 -0.065 17805 7375 1 17 . 1 1 53 53 LYS N N 53 121.307 121.307 121.578 -0.271 17805 7376 1 17 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.706 0.123 17805 7377 1 17 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.096 0.520 17805 7378 1 17 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.340 0.600 17805 7379 1 17 . 1 1 53 53 LYS H H 53 7.781 7.781 7.928 -0.147 17805 7380 1 17 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.386 -0.010 17805 7381 1 17 . 1 1 54 54 PRO C C 54 175.954 175.954 176.105 -0.151 17805 7382 1 17 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.708 1.109 17805 7383 1 17 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.892 2.259 17805 7384 1 17 . 1 1 55 55 ALA N N 55 125.654 125.654 123.010 2.644 17805 7385 1 17 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.905 0.233 17805 7386 1 17 . 1 1 55 55 ALA C C 55 175.977 175.977 177.052 -1.075 17805 7387 1 17 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.630 0.034 17805 7388 1 17 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.246 1.798 17805 7389 1 17 . 1 1 55 55 ALA H H 55 8.114 8.114 8.183 -0.069 17805 7390 1 17 . 1 1 56 56 GLU N N 56 122.313 122.313 120.904 1.409 17805 7391 1 17 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.069 0.146 17805 7392 1 17 . 1 1 56 56 GLU C C 56 176.924 176.924 177.968 -1.044 17805 7393 1 17 . 1 1 56 56 GLU CA C 56 56.089 56.089 55.791 0.298 17805 7394 1 17 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.335 0.751 17805 7395 1 17 . 1 1 56 56 GLU H H 56 8.179 8.179 8.386 -0.207 17805 7396 1 17 . 1 1 57 57 ASN N N 57 115.140 115.140 119.632 -4.492 17805 7397 1 17 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.454 -0.225 17805 7398 1 17 . 1 1 57 57 ASN C C 57 177.457 177.457 176.833 0.624 17805 7399 1 17 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.131 -0.932 17805 7400 1 17 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.204 1.023 17805 7401 1 17 . 1 1 57 57 ASN H H 57 8.504 8.504 8.782 -0.278 17805 7402 1 17 . 1 1 58 58 ASP N N 58 112.832 112.832 117.726 -4.894 17805 7403 1 17 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.553 -0.065 17805 7404 1 17 . 1 1 58 58 ASP C C 58 177.255 177.255 175.916 1.339 17805 7405 1 17 . 1 1 58 58 ASP CA C 58 53.608 53.608 53.971 -0.363 17805 7406 1 17 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.993 -0.689 17805 7407 1 17 . 1 1 58 58 ASP H H 58 8.198 8.198 8.529 -0.331 17805 7408 1 17 . 1 1 59 59 VAL N N 59 122.073 122.073 120.953 1.120 17805 7409 1 17 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.920 -0.327 17805 7410 1 17 . 1 1 59 59 VAL C C 59 177.321 177.321 175.822 1.499 17805 7411 1 17 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.868 0.972 17805 7412 1 17 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.481 -0.159 17805 7413 1 17 . 1 1 59 59 VAL H H 59 7.353 7.353 7.200 0.153 17805 7414 1 17 . 1 1 60 60 LYS N N 60 125.064 125.064 126.083 -1.019 17805 7415 1 17 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.123 0.324 17805 7416 1 17 . 1 1 60 60 LYS C C 60 174.649 174.649 177.114 -2.465 17805 7417 1 17 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.848 -0.663 17805 7418 1 17 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.632 0.473 17805 7419 1 17 . 1 1 60 60 LYS H H 60 8.339 8.339 8.473 -0.134 17805 7420 1 17 . 1 1 61 61 LEU N N 61 121.612 121.612 121.393 0.219 17805 7421 1 17 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.221 -0.445 17805 7422 1 17 . 1 1 61 61 LEU C C 61 171.906 171.906 179.123 -7.217 17805 7423 1 17 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.033 0.954 17805 7424 1 17 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.949 -0.117 17805 7425 1 17 . 1 1 61 61 LEU H H 61 9.423 9.423 8.453 0.970 17805 7426 1 17 . 1 1 62 62 GLY N N 62 104.008 104.008 105.091 -1.083 17805 7427 1 17 . 1 1 62 62 GLY C C 62 177.869 177.869 175.074 2.795 17805 7428 1 17 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.826 -0.054 17805 7429 1 17 . 1 1 62 62 GLY H H 62 9.107 9.107 7.621 1.486 17805 7430 1 17 . 1 1 63 63 ALA N N 63 122.025 122.025 123.349 -1.324 17805 7431 1 17 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.206 0.067 17805 7432 1 17 . 1 1 63 63 ALA C C 63 174.499 174.499 178.327 -3.828 17805 7433 1 17 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.331 -0.910 17805 7434 1 17 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.783 0.033 17805 7435 1 17 . 1 1 63 63 ALA H H 63 7.755 7.755 8.026 -0.271 17805 7436 1 17 . 1 1 64 64 LEU N N 64 115.454 115.454 113.728 1.726 17805 7437 1 17 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.536 -0.468 17805 7438 1 17 . 1 1 64 64 LEU C C 64 177.197 177.197 177.786 -0.589 17805 7439 1 17 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.349 0.218 17805 7440 1 17 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.308 -0.172 17805 7441 1 17 . 1 1 64 64 LEU H H 64 7.214 7.214 7.505 -0.291 17805 7442 1 17 . 1 1 65 65 LYS N N 65 114.830 114.830 118.903 -4.073 17805 7443 1 17 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.065 -0.227 17805 7444 1 17 . 1 1 65 65 LYS C C 65 177.061 177.061 177.007 0.054 17805 7445 1 17 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.722 -1.986 17805 7446 1 17 . 1 1 65 65 LYS CB C 65 29.307 29.307 32.973 -3.666 17805 7447 1 17 . 1 1 65 65 LYS H H 65 7.642 7.642 7.983 -0.341 17805 7448 1 17 . 1 1 66 66 LEU N N 66 119.305 119.305 111.230 8.075 17805 7449 1 17 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.553 -0.390 17805 7450 1 17 . 1 1 66 66 LEU C C 66 175.393 175.393 175.763 -0.370 17805 7451 1 17 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.553 0.294 17805 7452 1 17 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.579 0.133 17805 7453 1 17 . 1 1 66 66 LEU H H 66 8.516 8.516 7.468 1.048 17805 7454 1 17 . 1 1 67 67 LYS N N 67 121.480 121.480 120.683 0.797 17805 7455 1 17 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.518 -0.021 17805 7456 1 17 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.076 -1.924 17805 7457 1 17 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.547 0.452 17805 7458 1 17 . 1 1 67 67 LYS H H 67 7.955 7.955 8.395 -0.440 17805 7459 1 17 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.366 -0.197 17805 7460 1 17 . 1 1 68 68 PRO C C 68 176.609 176.609 177.671 -1.062 17805 7461 1 17 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.505 -1.116 17805 7462 1 17 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.173 0.041 17805 7463 1 17 . 1 1 69 69 ASN N N 69 115.414 115.414 115.716 -0.302 17805 7464 1 17 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.482 -0.520 17805 7465 1 17 . 1 1 69 69 ASN C C 69 178.824 178.824 175.936 2.888 17805 7466 1 17 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.619 0.402 17805 7467 1 17 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.587 -0.540 17805 7468 1 17 . 1 1 69 69 ASN H H 69 8.966 8.966 8.668 0.298 17805 7469 1 17 . 1 1 70 70 THR N N 70 115.426 115.426 115.467 -0.041 17805 7470 1 17 . 1 1 70 70 THR HA H 70 3.949 3.949 4.327 -0.378 17805 7471 1 17 . 1 1 70 70 THR C C 70 180.592 180.592 173.974 6.618 17805 7472 1 17 . 1 1 70 70 THR CA C 70 65.247 65.247 62.608 2.639 17805 7473 1 17 . 1 1 70 70 THR CB C 70 70.132 70.132 69.960 0.172 17805 7474 1 17 . 1 1 70 70 THR H H 70 7.712 7.712 7.577 0.135 17805 7475 1 17 . 1 1 71 71 LYS N N 71 124.603 124.603 124.325 0.278 17805 7476 1 17 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.939 0.240 17805 7477 1 17 . 1 1 71 71 LYS C C 71 177.157 177.157 175.790 1.367 17805 7478 1 17 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.887 0.453 17805 7479 1 17 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.140 -0.411 17805 7480 1 17 . 1 1 71 71 LYS H H 71 8.284 8.284 8.335 -0.051 17805 7481 1 17 . 1 1 72 72 ILE N N 72 123.505 123.505 119.911 3.594 17805 7482 1 17 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.569 -0.058 17805 7483 1 17 . 1 1 72 72 ILE C C 72 178.360 178.360 174.633 3.727 17805 7484 1 17 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.588 0.048 17805 7485 1 17 . 1 1 72 72 ILE CB C 72 40.827 40.827 41.013 -0.186 17805 7486 1 17 . 1 1 72 72 ILE H H 72 9.142 9.142 8.967 0.175 17805 7487 1 17 . 1 1 73 73 MET N N 73 123.090 123.090 121.031 2.059 17805 7488 1 17 . 1 1 73 73 MET HA H 73 5.122 5.122 4.938 0.184 17805 7489 1 17 . 1 1 73 73 MET C C 73 179.095 179.095 175.286 3.809 17805 7490 1 17 . 1 1 73 73 MET CA C 73 54.949 54.949 54.740 0.209 17805 7491 1 17 . 1 1 73 73 MET CB C 73 35.143 35.143 35.698 -0.555 17805 7492 1 17 . 1 1 73 73 MET H H 73 8.556 8.556 8.605 -0.049 17805 7493 1 17 . 1 1 74 74 MET N N 74 124.481 124.481 121.652 2.829 17805 7494 1 17 . 1 1 74 74 MET HA H 74 5.288 5.288 4.716 0.572 17805 7495 1 17 . 1 1 74 74 MET C C 74 178.476 178.476 175.273 3.203 17805 7496 1 17 . 1 1 74 74 MET CA C 74 54.862 54.862 55.264 -0.402 17805 7497 1 17 . 1 1 74 74 MET CB C 74 36.294 36.294 34.582 1.712 17805 7498 1 17 . 1 1 74 74 MET H H 74 8.924 8.924 8.886 0.038 17805 7499 1 17 . 1 1 75 75 MET N N 75 123.963 123.963 125.077 -1.114 17805 7500 1 17 . 1 1 75 75 MET HA H 75 5.093 5.093 4.906 0.187 17805 7501 1 17 . 1 1 75 75 MET C C 75 177.842 177.842 174.528 3.314 17805 7502 1 17 . 1 1 75 75 MET CA C 75 54.265 54.265 54.493 -0.228 17805 7503 1 17 . 1 1 75 75 MET CB C 75 35.566 35.566 32.772 2.794 17805 7504 1 17 . 1 1 75 75 MET H H 75 9.112 9.112 8.146 0.966 17805 7505 1 17 . 1 1 76 76 GLY N N 76 109.773 109.773 110.366 -0.593 17805 7506 1 17 . 1 1 76 76 GLY C C 76 180.165 180.165 172.560 7.605 17805 7507 1 17 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.104 0.797 17805 7508 1 17 . 1 1 76 76 GLY H H 76 8.711 8.711 8.604 0.107 17805 7509 1 17 . 1 1 77 77 THR N N 77 113.345 113.345 114.499 -1.154 17805 7510 1 17 . 1 1 77 77 THR HA H 77 4.787 4.787 4.786 0.001 17805 7511 1 17 . 1 1 77 77 THR C C 77 178.955 178.955 173.765 5.190 17805 7512 1 17 . 1 1 77 77 THR CA C 77 60.728 60.728 59.910 0.818 17805 7513 1 17 . 1 1 77 77 THR CB C 77 71.481 71.481 70.525 0.956 17805 7514 1 17 . 1 1 77 77 THR H H 77 8.280 8.280 8.191 0.089 17805 7515 1 17 . 1 1 78 78 ARG N N 78 122.844 122.844 126.123 -3.279 17805 7516 1 17 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.200 -0.052 17805 7517 1 17 . 1 1 78 78 ARG C C 78 177.011 177.011 175.423 1.588 17805 7518 1 17 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.179 0.702 17805 7519 1 17 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.730 0.877 17805 7520 1 17 . 1 1 78 78 ARG H H 78 8.852 8.852 8.589 0.263 17805 7521 1 17 . 1 1 79 79 GLU N N 79 122.181 122.181 118.482 3.699 17805 7522 1 17 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.505 -0.299 17805 7523 1 17 . 1 1 79 79 GLU C C 79 176.784 176.784 174.817 1.967 17805 7524 1 17 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.352 1.655 17805 7525 1 17 . 1 1 79 79 GLU CB C 79 30.764 30.764 33.409 -2.645 17805 7526 1 17 . 1 1 79 79 GLU H H 79 8.300 8.300 8.257 0.043 17805 7527 1 17 . 1 1 80 80 GLU N N 80 126.965 126.965 122.002 4.963 17805 7528 1 17 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.535 -0.486 17805 7529 1 17 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.134 3.194 17805 7530 1 17 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.507 0.780 17805 7531 1 17 . 1 1 80 80 GLU H H 80 8.015 8.015 8.675 -0.660 17805 7532 1 18 . 1 1 2 2 ALA N N 2 126.014 126.014 124.504 1.510 17805 7533 1 18 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.601 -0.568 17805 7534 1 18 . 1 1 2 2 ALA C C 2 176.202 176.202 175.952 0.250 17805 7535 1 18 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.436 1.779 17805 7536 1 18 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.201 -0.825 17805 7537 1 18 . 1 1 2 2 ALA H H 2 8.410 8.410 8.386 0.024 17805 7538 1 18 . 1 1 3 3 LEU N N 3 123.255 123.255 123.163 0.092 17805 7539 1 18 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.739 -0.093 17805 7540 1 18 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.816 0.001 17805 7541 1 18 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.043 0.514 17805 7542 1 18 . 1 1 3 3 LEU H H 3 8.271 8.271 8.417 -0.146 17805 7543 1 18 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.797 -0.191 17805 7544 1 18 . 1 1 4 4 PRO C C 4 179.796 179.796 175.479 4.317 17805 7545 1 18 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.223 1.017 17805 7546 1 18 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.979 -0.909 17805 7547 1 18 . 1 1 5 5 ILE N N 5 122.161 122.161 117.701 4.460 17805 7548 1 18 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.772 -0.413 17805 7549 1 18 . 1 1 5 5 ILE C C 5 179.202 179.202 175.592 3.610 17805 7550 1 18 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.204 0.629 17805 7551 1 18 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.402 1.541 17805 7552 1 18 . 1 1 5 5 ILE H H 5 8.317 8.317 7.802 0.515 17805 7553 1 18 . 1 1 6 6 ILE N N 6 125.649 125.649 127.721 -2.072 17805 7554 1 18 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.560 0.361 17805 7555 1 18 . 1 1 6 6 ILE C C 6 178.393 178.393 174.594 3.799 17805 7556 1 18 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.983 -1.118 17805 7557 1 18 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.660 0.604 17805 7558 1 18 . 1 1 6 6 ILE H H 6 8.408 8.408 8.237 0.171 17805 7559 1 18 . 1 1 7 7 VAL N N 7 125.741 125.741 127.422 -1.681 17805 7560 1 18 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.749 0.181 17805 7561 1 18 . 1 1 7 7 VAL C C 7 178.215 178.215 174.071 4.144 17805 7562 1 18 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.615 0.748 17805 7563 1 18 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.868 -1.109 17805 7564 1 18 . 1 1 7 7 VAL H H 7 9.155 9.155 9.057 0.098 17805 7565 1 18 . 1 1 8 8 LYS N N 8 128.098 128.098 128.635 -0.537 17805 7566 1 18 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.333 -0.101 17805 7567 1 18 . 1 1 8 8 LYS C C 8 178.353 178.353 174.526 3.827 17805 7568 1 18 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.798 0.477 17805 7569 1 18 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.168 -0.233 17805 7570 1 18 . 1 1 8 8 LYS H H 8 9.174 9.174 8.823 0.351 17805 7571 1 18 . 1 1 9 9 TRP N N 9 125.952 125.952 128.067 -2.115 17805 7572 1 18 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.042 0.143 17805 7573 1 18 . 1 1 9 9 TRP C C 9 176.432 176.432 175.831 0.601 17805 7574 1 18 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.567 1.167 17805 7575 1 18 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.933 -1.372 17805 7576 1 18 . 1 1 9 9 TRP H H 9 8.844 8.844 8.522 0.322 17805 7577 1 18 . 1 1 10 10 GLY N N 10 117.044 117.044 115.379 1.665 17805 7578 1 18 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.535 1.565 17805 7579 1 18 . 1 1 10 10 GLY H H 10 8.683 8.683 8.868 -0.185 17805 7580 1 18 . 1 1 11 11 GLY N N 11 109.364 109.364 105.355 4.009 17805 7581 1 18 . 1 1 11 11 GLY C C 11 179.353 179.353 174.935 4.418 17805 7582 1 18 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.049 0.411 17805 7583 1 18 . 1 1 11 11 GLY H H 11 8.600 8.600 8.368 0.232 17805 7584 1 18 . 1 1 12 12 GLN N N 12 119.388 119.388 120.417 -1.029 17805 7585 1 18 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.320 0.163 17805 7586 1 18 . 1 1 12 12 GLN C C 12 179.098 179.098 175.142 3.956 17805 7587 1 18 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.453 0.049 17805 7588 1 18 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.840 2.338 17805 7589 1 18 . 1 1 12 12 GLN H H 12 7.865 7.865 7.937 -0.072 17805 7590 1 18 . 1 1 13 13 GLU N N 13 119.756 119.756 119.714 0.042 17805 7591 1 18 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.196 -0.316 17805 7592 1 18 . 1 1 13 13 GLU C C 13 177.641 177.641 175.334 2.307 17805 7593 1 18 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.244 0.411 17805 7594 1 18 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.704 -0.398 17805 7595 1 18 . 1 1 13 13 GLU H H 13 8.172 8.172 8.038 0.134 17805 7596 1 18 . 1 1 14 14 TYR N N 14 122.812 122.812 123.741 -0.929 17805 7597 1 18 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.846 -0.245 17805 7598 1 18 . 1 1 14 14 TYR C C 14 177.990 177.990 174.741 3.249 17805 7599 1 18 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.898 0.348 17805 7600 1 18 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.175 -0.631 17805 7601 1 18 . 1 1 14 14 TYR H H 14 9.381 9.381 8.829 0.552 17805 7602 1 18 . 1 1 15 15 SER N N 15 118.339 118.339 117.846 0.493 17805 7603 1 18 . 1 1 15 15 SER HA H 15 4.747 4.747 5.351 -0.604 17805 7604 1 18 . 1 1 15 15 SER C C 15 178.924 178.924 173.667 5.257 17805 7605 1 18 . 1 1 15 15 SER CA C 15 58.099 58.099 56.763 1.336 17805 7606 1 18 . 1 1 15 15 SER CB C 15 63.394 63.394 64.711 -1.317 17805 7607 1 18 . 1 1 15 15 SER H H 15 8.802 8.802 8.658 0.144 17805 7608 1 18 . 1 1 16 16 VAL N N 16 128.611 128.611 122.151 6.460 17805 7609 1 18 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.438 -0.233 17805 7610 1 18 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.535 1.809 17805 7611 1 18 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.899 -1.371 17805 7612 1 18 . 1 1 16 16 VAL H H 16 9.005 9.005 8.615 0.390 17805 7613 1 18 . 1 1 17 17 THR N N 17 116.170 116.170 114.616 1.554 17805 7614 1 18 . 1 1 17 17 THR HA H 17 4.533 4.533 4.528 0.005 17805 7615 1 18 . 1 1 17 17 THR C C 17 177.649 177.649 173.790 3.859 17805 7616 1 18 . 1 1 17 17 THR CA C 17 62.331 62.331 62.356 -0.025 17805 7617 1 18 . 1 1 17 17 THR CB C 17 70.040 70.040 68.441 1.599 17805 7618 1 18 . 1 1 17 17 THR H H 17 8.746 8.746 8.351 0.395 17805 7619 1 18 . 1 1 18 18 THR N N 18 107.517 107.517 114.136 -6.619 17805 7620 1 18 . 1 1 18 18 THR HA H 18 4.173 4.173 4.267 -0.094 17805 7621 1 18 . 1 1 18 18 THR C C 18 178.498 178.498 173.581 4.917 17805 7622 1 18 . 1 1 18 18 THR CA C 18 61.772 61.772 62.436 -0.664 17805 7623 1 18 . 1 1 18 18 THR CB C 18 69.121 69.121 69.034 0.087 17805 7624 1 18 . 1 1 18 18 THR H H 18 6.812 6.812 8.011 -1.199 17805 7625 1 18 . 1 1 19 19 LEU N N 19 123.019 123.019 117.367 5.652 17805 7626 1 18 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.793 -0.210 17805 7627 1 18 . 1 1 19 19 LEU C C 19 177.299 177.299 174.740 2.559 17805 7628 1 18 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.566 1.614 17805 7629 1 18 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.957 -2.246 17805 7630 1 18 . 1 1 19 19 LEU H H 19 8.388 8.388 7.298 1.090 17805 7631 1 18 . 1 1 20 20 SER N N 20 117.870 117.870 112.701 5.169 17805 7632 1 18 . 1 1 20 20 SER HA H 20 4.863 4.863 5.121 -0.258 17805 7633 1 18 . 1 1 20 20 SER C C 20 177.249 177.249 175.617 1.632 17805 7634 1 18 . 1 1 20 20 SER CA C 20 56.832 56.832 56.338 0.494 17805 7635 1 18 . 1 1 20 20 SER CB C 20 67.845 67.845 66.492 1.353 17805 7636 1 18 . 1 1 20 20 SER H H 20 9.714 9.714 8.110 1.604 17805 7637 1 18 . 1 1 21 21 GLU N N 21 116.130 116.130 121.428 -5.298 17805 7638 1 18 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.947 -0.207 17805 7639 1 18 . 1 1 21 21 GLU C C 21 176.555 176.555 176.933 -0.378 17805 7640 1 18 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.182 -0.049 17805 7641 1 18 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.082 1.772 17805 7642 1 18 . 1 1 21 21 GLU H H 21 8.491 8.491 9.045 -0.554 17805 7643 1 18 . 1 1 22 22 ASP N N 22 115.741 115.741 117.890 -2.149 17805 7644 1 18 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.566 0.084 17805 7645 1 18 . 1 1 22 22 ASP C C 22 176.555 176.555 176.426 0.129 17805 7646 1 18 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.232 -0.076 17805 7647 1 18 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.547 2.032 17805 7648 1 18 . 1 1 22 22 ASP H H 22 7.936 7.936 8.258 -0.322 17805 7649 1 18 . 1 1 23 23 ASP N N 23 119.945 119.945 120.463 -0.518 17805 7650 1 18 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.622 0.219 17805 7651 1 18 . 1 1 23 23 ASP C C 23 178.264 178.264 176.085 2.179 17805 7652 1 18 . 1 1 23 23 ASP CA C 23 55.223 55.223 55.732 -0.509 17805 7653 1 18 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.376 0.406 17805 7654 1 18 . 1 1 23 23 ASP H H 23 7.313 7.313 8.058 -0.745 17805 7655 1 18 . 1 1 24 24 THR N N 24 107.918 107.918 107.008 0.910 17805 7656 1 18 . 1 1 24 24 THR HA H 24 5.328 5.328 4.477 0.851 17805 7657 1 18 . 1 1 24 24 THR C C 24 176.363 176.363 174.045 2.318 17805 7658 1 18 . 1 1 24 24 THR CA C 24 60.989 60.989 61.787 -0.798 17805 7659 1 18 . 1 1 24 24 THR CB C 24 74.287 74.287 70.712 3.575 17805 7660 1 18 . 1 1 24 24 THR H H 24 9.630 9.630 7.603 2.027 17805 7661 1 18 . 1 1 25 25 VAL N N 25 120.192 120.192 123.224 -3.032 17805 7662 1 18 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.707 -0.373 17805 7663 1 18 . 1 1 25 25 VAL C C 25 175.092 175.092 177.207 -2.115 17805 7664 1 18 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.910 0.716 17805 7665 1 18 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.785 0.364 17805 7666 1 18 . 1 1 25 25 VAL H H 25 8.260 8.260 8.981 -0.721 17805 7667 1 18 . 1 1 26 26 LEU N N 26 119.941 119.941 119.281 0.660 17805 7668 1 18 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.010 -0.138 17805 7669 1 18 . 1 1 26 26 LEU C C 26 174.996 174.996 178.416 -3.420 17805 7670 1 18 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.229 0.363 17805 7671 1 18 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.417 0.299 17805 7672 1 18 . 1 1 26 26 LEU H H 26 8.523 8.523 8.264 0.259 17805 7673 1 18 . 1 1 27 27 ASP N N 27 118.322 118.322 119.757 -1.435 17805 7674 1 18 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.463 -0.190 17805 7675 1 18 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.915 1.748 17805 7676 1 18 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.131 -0.200 17805 7677 1 18 . 1 1 27 27 ASP H H 27 7.581 7.581 8.060 -0.479 17805 7678 1 18 . 1 1 28 28 LEU N N 28 122.021 122.021 121.411 0.610 17805 7679 1 18 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.192 -0.109 17805 7680 1 18 . 1 1 28 28 LEU C C 28 175.514 175.514 178.652 -3.138 17805 7681 1 18 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.738 1.034 17805 7682 1 18 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.284 -1.059 17805 7683 1 18 . 1 1 28 28 LEU H H 28 7.837 7.837 7.942 -0.105 17805 7684 1 18 . 1 1 29 29 LYS N N 29 119.086 119.086 119.294 -0.208 17805 7685 1 18 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.903 0.617 17805 7686 1 18 . 1 1 29 29 LYS C C 29 172.261 172.261 178.715 -6.454 17805 7687 1 18 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.816 -0.029 17805 7688 1 18 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.694 2.603 17805 7689 1 18 . 1 1 29 29 LYS H H 29 8.467 8.467 8.681 -0.214 17805 7690 1 18 . 1 1 30 30 GLN N N 30 119.268 119.268 118.288 0.980 17805 7691 1 18 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.034 -0.102 17805 7692 1 18 . 1 1 30 30 GLN C C 30 174.240 174.240 178.418 -4.178 17805 7693 1 18 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.519 1.145 17805 7694 1 18 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.972 -0.166 17805 7695 1 18 . 1 1 30 30 GLN H H 30 9.049 9.049 7.828 1.221 17805 7696 1 18 . 1 1 31 31 PHE N N 31 121.690 121.690 120.882 0.808 17805 7697 1 18 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.216 0.002 17805 7698 1 18 . 1 1 31 31 PHE C C 31 173.970 173.970 177.514 -3.544 17805 7699 1 18 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.126 0.841 17805 7700 1 18 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.379 -0.005 17805 7701 1 18 . 1 1 31 31 PHE H H 31 8.039 8.039 7.826 0.213 17805 7702 1 18 . 1 1 32 32 LEU N N 32 118.232 118.232 117.426 0.806 17805 7703 1 18 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.961 -0.324 17805 7704 1 18 . 1 1 32 32 LEU C C 32 172.367 172.367 178.299 -5.932 17805 7705 1 18 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.964 -0.256 17805 7706 1 18 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.854 0.416 17805 7707 1 18 . 1 1 32 32 LEU H H 32 8.776 8.776 8.264 0.512 17805 7708 1 18 . 1 1 33 33 LYS N N 33 125.920 125.920 119.310 6.610 17805 7709 1 18 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.081 -0.279 17805 7710 1 18 . 1 1 33 33 LYS C C 33 173.820 173.820 178.666 -4.846 17805 7711 1 18 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.477 1.639 17805 7712 1 18 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.252 0.449 17805 7713 1 18 . 1 1 33 33 LYS H H 33 8.237 8.237 8.447 -0.210 17805 7714 1 18 . 1 1 34 34 THR N N 34 114.544 114.544 114.196 0.348 17805 7715 1 18 . 1 1 34 34 THR HA H 34 3.773 3.773 4.047 -0.274 17805 7716 1 18 . 1 1 34 34 THR C C 34 177.649 177.649 175.747 1.902 17805 7717 1 18 . 1 1 34 34 THR CA C 34 65.749 65.749 64.312 1.437 17805 7718 1 18 . 1 1 34 34 THR CB C 34 68.620 68.620 68.431 0.189 17805 7719 1 18 . 1 1 34 34 THR H H 34 7.281 7.281 7.491 -0.210 17805 7720 1 18 . 1 1 35 35 LEU N N 35 117.590 117.590 117.915 -0.325 17805 7721 1 18 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.301 -0.283 17805 7722 1 18 . 1 1 35 35 LEU C C 35 175.105 175.105 177.449 -2.344 17805 7723 1 18 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.771 1.244 17805 7724 1 18 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.211 1.792 17805 7725 1 18 . 1 1 35 35 LEU H H 35 6.752 6.752 7.252 -0.500 17805 7726 1 18 . 1 1 36 36 THR N N 36 104.865 104.865 107.426 -2.561 17805 7727 1 18 . 1 1 36 36 THR HA H 36 3.967 3.967 4.344 -0.377 17805 7728 1 18 . 1 1 36 36 THR C C 36 178.094 178.094 176.121 1.973 17805 7729 1 18 . 1 1 36 36 THR CA C 36 62.756 62.756 63.178 -0.422 17805 7730 1 18 . 1 1 36 36 THR CB C 36 72.343 72.343 70.624 1.720 17805 7731 1 18 . 1 1 36 36 THR H H 36 7.675 7.675 7.780 -0.105 17805 7732 1 18 . 1 1 37 37 GLY N N 37 109.795 109.795 111.300 -1.505 17805 7733 1 18 . 1 1 37 37 GLY C C 37 179.368 179.368 173.629 5.739 17805 7734 1 18 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.722 -0.163 17805 7735 1 18 . 1 1 37 37 GLY H H 37 7.971 7.971 8.518 -0.547 17805 7736 1 18 . 1 1 38 38 VAL N N 38 122.557 122.557 122.154 0.403 17805 7737 1 18 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.309 -0.671 17805 7738 1 18 . 1 1 38 38 VAL C C 38 177.289 177.289 174.051 3.238 17805 7739 1 18 . 1 1 38 38 VAL CA C 38 62.437 62.437 59.993 2.444 17805 7740 1 18 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.148 -1.758 17805 7741 1 18 . 1 1 38 38 VAL H H 38 7.533 7.533 7.198 0.335 17805 7742 1 18 . 1 1 39 39 LEU N N 39 127.828 127.828 122.991 4.837 17805 7743 1 18 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.843 -0.849 17805 7744 1 18 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.223 3.214 17805 7745 1 18 . 1 1 39 39 LEU CB C 39 40.557 40.557 39.955 0.603 17805 7746 1 18 . 1 1 39 39 LEU H H 39 8.634 8.634 8.336 0.298 17805 7747 1 18 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.552 -0.713 17805 7748 1 18 . 1 1 40 40 PRO C C 40 174.857 174.857 177.710 -2.853 17805 7749 1 18 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.825 2.164 17805 7750 1 18 . 1 1 40 40 PRO CB C 40 32.322 32.322 32.040 0.282 17805 7751 1 18 . 1 1 41 41 GLU N N 41 114.752 114.752 115.256 -0.504 17805 7752 1 18 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.094 -0.023 17805 7753 1 18 . 1 1 41 41 GLU C C 41 176.350 176.350 177.864 -1.514 17805 7754 1 18 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.269 0.669 17805 7755 1 18 . 1 1 41 41 GLU CB C 41 28.824 28.824 28.692 0.132 17805 7756 1 18 . 1 1 41 41 GLU H H 41 9.746 9.746 8.713 1.033 17805 7757 1 18 . 1 1 42 42 ARG N N 42 118.145 118.145 117.172 0.973 17805 7758 1 18 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.409 -0.094 17805 7759 1 18 . 1 1 42 42 ARG C C 42 177.731 177.731 176.184 1.547 17805 7760 1 18 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.596 -1.148 17805 7761 1 18 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.816 -0.711 17805 7762 1 18 . 1 1 42 42 ARG H H 42 7.938 7.938 7.402 0.536 17805 7763 1 18 . 1 1 43 43 GLN N N 43 118.250 118.250 117.892 0.358 17805 7764 1 18 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.703 -0.452 17805 7765 1 18 . 1 1 43 43 GLN C C 43 176.186 176.186 174.340 1.846 17805 7766 1 18 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.596 1.941 17805 7767 1 18 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.089 -1.097 17805 7768 1 18 . 1 1 43 43 GLN H H 43 7.034 7.034 7.520 -0.486 17805 7769 1 18 . 1 1 44 44 LYS N N 44 122.693 122.693 122.259 0.434 17805 7770 1 18 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.629 -0.165 17805 7771 1 18 . 1 1 44 44 LYS C C 44 178.040 178.040 175.356 2.684 17805 7772 1 18 . 1 1 44 44 LYS CA C 44 55.552 55.552 55.011 0.541 17805 7773 1 18 . 1 1 44 44 LYS CB C 44 34.325 34.325 33.647 0.678 17805 7774 1 18 . 1 1 44 44 LYS H H 44 8.806 8.806 8.061 0.745 17805 7775 1 18 . 1 1 45 45 LEU N N 45 124.806 124.806 126.761 -1.955 17805 7776 1 18 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.630 0.313 17805 7777 1 18 . 1 1 45 45 LEU C C 45 176.506 176.506 178.017 -1.511 17805 7778 1 18 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.444 -0.902 17805 7779 1 18 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.597 -0.776 17805 7780 1 18 . 1 1 45 45 LEU H H 45 8.704 8.704 8.777 -0.073 17805 7781 1 18 . 1 1 46 46 LEU N N 46 124.709 124.709 124.733 -0.024 17805 7782 1 18 . 1 1 46 46 LEU HA H 46 4.358 4.358 3.988 0.370 17805 7783 1 18 . 1 1 46 46 LEU C C 46 175.289 175.289 177.529 -2.240 17805 7784 1 18 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.968 -1.209 17805 7785 1 18 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.361 0.165 17805 7786 1 18 . 1 1 46 46 LEU H H 46 8.751 8.751 8.056 0.695 17805 7787 1 18 . 1 1 47 47 GLY N N 47 109.276 109.276 109.958 -0.682 17805 7788 1 18 . 1 1 47 47 GLY C C 47 179.057 179.057 172.964 6.093 17805 7789 1 18 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.352 0.208 17805 7790 1 18 . 1 1 47 47 GLY H H 47 8.300 8.300 8.646 -0.346 17805 7791 1 18 . 1 1 48 48 LEU N N 48 119.707 119.707 120.434 -0.727 17805 7792 1 18 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.470 0.120 17805 7793 1 18 . 1 1 48 48 LEU C C 48 177.598 177.598 174.488 3.110 17805 7794 1 18 . 1 1 48 48 LEU CA C 48 53.945 53.945 54.082 -0.137 17805 7795 1 18 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.009 -3.595 17805 7796 1 18 . 1 1 48 48 LEU H H 48 7.581 7.581 7.543 0.038 17805 7797 1 18 . 1 1 49 49 LYS N N 49 124.527 124.527 123.710 0.817 17805 7798 1 18 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.699 0.153 17805 7799 1 18 . 1 1 49 49 LYS C C 49 178.059 178.059 175.513 2.546 17805 7800 1 18 . 1 1 49 49 LYS CA C 49 55.663 55.663 55.007 0.656 17805 7801 1 18 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.223 4.358 17805 7802 1 18 . 1 1 49 49 LYS H H 49 8.606 8.606 8.210 0.396 17805 7803 1 18 . 1 1 50 50 VAL N N 50 119.184 119.184 124.530 -5.346 17805 7804 1 18 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.326 -0.213 17805 7805 1 18 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.221 1.644 17805 7806 1 18 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.983 0.751 17805 7807 1 18 . 1 1 50 50 VAL H H 50 8.799 8.799 8.417 0.382 17805 7808 1 18 . 1 1 51 51 LYS N N 51 127.069 127.069 128.119 -1.050 17805 7809 1 18 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.990 -0.166 17805 7810 1 18 . 1 1 51 51 LYS C C 51 176.418 176.418 176.521 -0.103 17805 7811 1 18 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.951 0.456 17805 7812 1 18 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.756 0.899 17805 7813 1 18 . 1 1 51 51 LYS H H 51 9.451 9.451 9.209 0.242 17805 7814 1 18 . 1 1 52 52 GLY N N 52 102.671 102.671 103.426 -0.755 17805 7815 1 18 . 1 1 52 52 GLY C C 52 179.392 179.392 174.191 5.201 17805 7816 1 18 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.172 0.638 17805 7817 1 18 . 1 1 52 52 GLY H H 52 8.512 8.512 8.516 -0.004 17805 7818 1 18 . 1 1 53 53 LYS N N 53 121.307 121.307 121.048 0.259 17805 7819 1 18 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.740 0.089 17805 7820 1 18 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.060 0.556 17805 7821 1 18 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.309 0.631 17805 7822 1 18 . 1 1 53 53 LYS H H 53 7.781 7.781 7.879 -0.098 17805 7823 1 18 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.379 -0.003 17805 7824 1 18 . 1 1 54 54 PRO C C 54 175.954 175.954 175.900 0.054 17805 7825 1 18 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.794 1.022 17805 7826 1 18 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.846 2.305 17805 7827 1 18 . 1 1 55 55 ALA N N 55 125.654 125.654 122.845 2.809 17805 7828 1 18 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.914 0.224 17805 7829 1 18 . 1 1 55 55 ALA C C 55 175.977 175.977 176.813 -0.836 17805 7830 1 18 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.576 0.088 17805 7831 1 18 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.304 1.740 17805 7832 1 18 . 1 1 55 55 ALA H H 55 8.114 8.114 8.208 -0.094 17805 7833 1 18 . 1 1 56 56 GLU N N 56 122.313 122.313 121.671 0.642 17805 7834 1 18 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.073 0.142 17805 7835 1 18 . 1 1 56 56 GLU C C 56 176.924 176.924 177.521 -0.597 17805 7836 1 18 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.919 -0.830 17805 7837 1 18 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.464 0.622 17805 7838 1 18 . 1 1 56 56 GLU H H 56 8.179 8.179 8.406 -0.227 17805 7839 1 18 . 1 1 57 57 ASN N N 57 115.140 115.140 118.256 -3.116 17805 7840 1 18 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.476 -0.247 17805 7841 1 18 . 1 1 57 57 ASN C C 57 177.457 177.457 176.601 0.856 17805 7842 1 18 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.326 -1.127 17805 7843 1 18 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.645 0.583 17805 7844 1 18 . 1 1 57 57 ASN H H 57 8.504 8.504 8.679 -0.175 17805 7845 1 18 . 1 1 58 58 ASP N N 58 112.832 112.832 117.319 -4.487 17805 7846 1 18 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.549 -0.061 17805 7847 1 18 . 1 1 58 58 ASP C C 58 177.255 177.255 175.305 1.950 17805 7848 1 18 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.447 -0.839 17805 7849 1 18 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.864 -0.560 17805 7850 1 18 . 1 1 58 58 ASP H H 58 8.198 8.198 8.514 -0.316 17805 7851 1 18 . 1 1 59 59 VAL N N 59 122.073 122.073 120.489 1.584 17805 7852 1 18 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.940 -0.347 17805 7853 1 18 . 1 1 59 59 VAL C C 59 177.321 177.321 175.920 1.401 17805 7854 1 18 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.280 0.560 17805 7855 1 18 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.096 0.226 17805 7856 1 18 . 1 1 59 59 VAL H H 59 7.353 7.353 7.015 0.338 17805 7857 1 18 . 1 1 60 60 LYS N N 60 125.064 125.064 126.265 -1.201 17805 7858 1 18 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.147 0.300 17805 7859 1 18 . 1 1 60 60 LYS C C 60 174.649 174.649 177.295 -2.646 17805 7860 1 18 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.801 -0.616 17805 7861 1 18 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.727 0.378 17805 7862 1 18 . 1 1 60 60 LYS H H 60 8.339 8.339 8.522 -0.183 17805 7863 1 18 . 1 1 61 61 LEU N N 61 121.612 121.612 121.279 0.333 17805 7864 1 18 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.230 -0.454 17805 7865 1 18 . 1 1 61 61 LEU C C 61 171.906 171.906 179.120 -7.214 17805 7866 1 18 . 1 1 61 61 LEU CA C 61 57.987 57.987 56.920 1.067 17805 7867 1 18 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.921 -0.089 17805 7868 1 18 . 1 1 61 61 LEU H H 61 9.423 9.423 8.451 0.972 17805 7869 1 18 . 1 1 62 62 GLY N N 62 104.008 104.008 105.141 -1.133 17805 7870 1 18 . 1 1 62 62 GLY C C 62 177.869 177.869 175.067 2.802 17805 7871 1 18 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.847 -0.075 17805 7872 1 18 . 1 1 62 62 GLY H H 62 9.107 9.107 7.621 1.486 17805 7873 1 18 . 1 1 63 63 ALA N N 63 122.025 122.025 123.471 -1.446 17805 7874 1 18 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.116 0.157 17805 7875 1 18 . 1 1 63 63 ALA C C 63 174.499 174.499 178.178 -3.679 17805 7876 1 18 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.194 -0.773 17805 7877 1 18 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.941 -0.125 17805 7878 1 18 . 1 1 63 63 ALA H H 63 7.755 7.755 8.089 -0.334 17805 7879 1 18 . 1 1 64 64 LEU N N 64 115.454 115.454 113.850 1.604 17805 7880 1 18 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.539 -0.471 17805 7881 1 18 . 1 1 64 64 LEU C C 64 177.197 177.197 177.601 -0.404 17805 7882 1 18 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.341 0.226 17805 7883 1 18 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.273 -0.137 17805 7884 1 18 . 1 1 64 64 LEU H H 64 7.214 7.214 7.512 -0.298 17805 7885 1 18 . 1 1 65 65 LYS N N 65 114.830 114.830 118.301 -3.471 17805 7886 1 18 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.226 -0.388 17805 7887 1 18 . 1 1 65 65 LYS C C 65 177.061 177.061 176.863 0.198 17805 7888 1 18 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.633 -1.896 17805 7889 1 18 . 1 1 65 65 LYS CB C 65 29.307 29.307 32.998 -3.691 17805 7890 1 18 . 1 1 65 65 LYS H H 65 7.642 7.642 7.890 -0.248 17805 7891 1 18 . 1 1 66 66 LEU N N 66 119.305 119.305 111.232 8.073 17805 7892 1 18 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.551 -0.388 17805 7893 1 18 . 1 1 66 66 LEU C C 66 175.393 175.393 175.828 -0.435 17805 7894 1 18 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.463 0.384 17805 7895 1 18 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.835 -0.123 17805 7896 1 18 . 1 1 66 66 LEU H H 66 8.516 8.516 7.485 1.031 17805 7897 1 18 . 1 1 67 67 LYS N N 67 121.480 121.480 120.244 1.236 17805 7898 1 18 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.538 -0.041 17805 7899 1 18 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.062 -1.910 17805 7900 1 18 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.784 0.215 17805 7901 1 18 . 1 1 67 67 LYS H H 67 7.955 7.955 8.361 -0.406 17805 7902 1 18 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.304 -0.135 17805 7903 1 18 . 1 1 68 68 PRO C C 68 176.609 176.609 177.895 -1.286 17805 7904 1 18 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.489 -1.100 17805 7905 1 18 . 1 1 68 68 PRO CB C 68 32.214 32.214 31.956 0.258 17805 7906 1 18 . 1 1 69 69 ASN N N 69 115.414 115.414 114.814 0.600 17805 7907 1 18 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.464 -0.502 17805 7908 1 18 . 1 1 69 69 ASN C C 69 178.824 178.824 175.495 3.329 17805 7909 1 18 . 1 1 69 69 ASN CA C 69 55.021 55.021 55.018 0.003 17805 7910 1 18 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.504 -0.457 17805 7911 1 18 . 1 1 69 69 ASN H H 69 8.966 8.966 8.603 0.363 17805 7912 1 18 . 1 1 70 70 THR N N 70 115.426 115.426 117.296 -1.870 17805 7913 1 18 . 1 1 70 70 THR HA H 70 3.949 3.949 4.380 -0.431 17805 7914 1 18 . 1 1 70 70 THR C C 70 180.592 180.592 173.851 6.741 17805 7915 1 18 . 1 1 70 70 THR CA C 70 65.247 65.247 63.486 1.761 17805 7916 1 18 . 1 1 70 70 THR CB C 70 70.132 70.132 69.783 0.349 17805 7917 1 18 . 1 1 70 70 THR H H 70 7.712 7.712 7.694 0.018 17805 7918 1 18 . 1 1 71 71 LYS N N 71 124.603 124.603 122.876 1.727 17805 7919 1 18 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.975 0.204 17805 7920 1 18 . 1 1 71 71 LYS C C 71 177.157 177.157 176.371 0.786 17805 7921 1 18 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.582 -0.242 17805 7922 1 18 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.789 -0.060 17805 7923 1 18 . 1 1 71 71 LYS H H 71 8.284 8.284 8.340 -0.056 17805 7924 1 18 . 1 1 72 72 ILE N N 72 123.505 123.505 119.697 3.808 17805 7925 1 18 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.510 0.001 17805 7926 1 18 . 1 1 72 72 ILE C C 72 178.360 178.360 174.871 3.489 17805 7927 1 18 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.472 0.164 17805 7928 1 18 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.934 -0.107 17805 7929 1 18 . 1 1 72 72 ILE H H 72 9.142 9.142 8.963 0.179 17805 7930 1 18 . 1 1 73 73 MET N N 73 123.090 123.090 121.338 1.752 17805 7931 1 18 . 1 1 73 73 MET HA H 73 5.122 5.122 4.963 0.159 17805 7932 1 18 . 1 1 73 73 MET C C 73 179.095 179.095 175.346 3.749 17805 7933 1 18 . 1 1 73 73 MET CA C 73 54.949 54.949 54.741 0.208 17805 7934 1 18 . 1 1 73 73 MET CB C 73 35.143 35.143 35.516 -0.373 17805 7935 1 18 . 1 1 73 73 MET H H 73 8.556 8.556 8.637 -0.081 17805 7936 1 18 . 1 1 74 74 MET N N 74 124.481 124.481 122.974 1.507 17805 7937 1 18 . 1 1 74 74 MET HA H 74 5.288 5.288 4.787 0.501 17805 7938 1 18 . 1 1 74 74 MET C C 74 178.476 178.476 175.294 3.182 17805 7939 1 18 . 1 1 74 74 MET CA C 74 54.862 54.862 55.098 -0.236 17805 7940 1 18 . 1 1 74 74 MET CB C 74 36.294 36.294 34.211 2.083 17805 7941 1 18 . 1 1 74 74 MET H H 74 8.924 8.924 8.969 -0.045 17805 7942 1 18 . 1 1 75 75 MET N N 75 123.963 123.963 123.650 0.313 17805 7943 1 18 . 1 1 75 75 MET HA H 75 5.093 5.093 4.816 0.277 17805 7944 1 18 . 1 1 75 75 MET C C 75 177.842 177.842 174.916 2.926 17805 7945 1 18 . 1 1 75 75 MET CA C 75 54.265 54.265 54.540 -0.275 17805 7946 1 18 . 1 1 75 75 MET CB C 75 35.566 35.566 33.645 1.921 17805 7947 1 18 . 1 1 75 75 MET H H 75 9.112 9.112 8.870 0.242 17805 7948 1 18 . 1 1 76 76 GLY N N 76 109.773 109.773 111.249 -1.476 17805 7949 1 18 . 1 1 76 76 GLY C C 76 180.165 180.165 172.635 7.530 17805 7950 1 18 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.097 0.804 17805 7951 1 18 . 1 1 76 76 GLY H H 76 8.711 8.711 8.473 0.238 17805 7952 1 18 . 1 1 77 77 THR N N 77 113.345 113.345 115.023 -1.678 17805 7953 1 18 . 1 1 77 77 THR HA H 77 4.787 4.787 4.698 0.089 17805 7954 1 18 . 1 1 77 77 THR C C 77 178.955 178.955 173.519 5.436 17805 7955 1 18 . 1 1 77 77 THR CA C 77 60.728 60.728 60.386 0.342 17805 7956 1 18 . 1 1 77 77 THR CB C 77 71.481 71.481 70.605 0.877 17805 7957 1 18 . 1 1 77 77 THR H H 77 8.280 8.280 8.057 0.223 17805 7958 1 18 . 1 1 78 78 ARG N N 78 122.844 122.844 122.775 0.069 17805 7959 1 18 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.362 -0.214 17805 7960 1 18 . 1 1 78 78 ARG C C 78 177.011 177.011 175.179 1.832 17805 7961 1 18 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.101 1.780 17805 7962 1 18 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.164 0.443 17805 7963 1 18 . 1 1 78 78 ARG H H 78 8.852 8.852 8.427 0.425 17805 7964 1 18 . 1 1 79 79 GLU N N 79 122.181 122.181 121.273 0.908 17805 7965 1 18 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.548 -0.342 17805 7966 1 18 . 1 1 79 79 GLU C C 79 176.784 176.784 175.260 1.524 17805 7967 1 18 . 1 1 79 79 GLU CA C 79 57.007 57.007 54.816 2.191 17805 7968 1 18 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.942 -0.178 17805 7969 1 18 . 1 1 79 79 GLU H H 79 8.300 8.300 8.610 -0.310 17805 7970 1 18 . 1 1 80 80 GLU N N 80 126.965 126.965 120.243 6.722 17805 7971 1 18 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.506 -0.457 17805 7972 1 18 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.685 1.643 17805 7973 1 18 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.129 1.158 17805 7974 1 18 . 1 1 80 80 GLU H H 80 8.015 8.015 8.808 -0.793 17805 7975 1 19 . 1 1 2 2 ALA N N 2 126.014 126.014 125.277 0.737 17805 7976 1 19 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.604 -0.571 17805 7977 1 19 . 1 1 2 2 ALA C C 2 176.202 176.202 175.842 0.360 17805 7978 1 19 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.166 2.049 17805 7979 1 19 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.609 -1.233 17805 7980 1 19 . 1 1 2 2 ALA H H 2 8.410 8.410 8.464 -0.054 17805 7981 1 19 . 1 1 3 3 LEU N N 3 123.255 123.255 122.795 0.460 17805 7982 1 19 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.799 -0.153 17805 7983 1 19 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.059 -0.242 17805 7984 1 19 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.323 0.234 17805 7985 1 19 . 1 1 3 3 LEU H H 3 8.271 8.271 8.056 0.215 17805 7986 1 19 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.748 -0.142 17805 7987 1 19 . 1 1 4 4 PRO C C 4 179.796 179.796 175.649 4.147 17805 7988 1 19 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.207 1.033 17805 7989 1 19 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.830 -0.759 17805 7990 1 19 . 1 1 5 5 ILE N N 5 122.161 122.161 118.492 3.669 17805 7991 1 19 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.698 -0.339 17805 7992 1 19 . 1 1 5 5 ILE C C 5 179.202 179.202 175.386 3.816 17805 7993 1 19 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.842 0.991 17805 7994 1 19 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.304 1.639 17805 7995 1 19 . 1 1 5 5 ILE H H 5 8.317 8.317 7.808 0.509 17805 7996 1 19 . 1 1 6 6 ILE N N 6 125.649 125.649 127.687 -2.038 17805 7997 1 19 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.503 0.418 17805 7998 1 19 . 1 1 6 6 ILE C C 6 178.393 178.393 174.575 3.818 17805 7999 1 19 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.063 -1.198 17805 8000 1 19 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.929 0.335 17805 8001 1 19 . 1 1 6 6 ILE H H 6 8.408 8.408 8.224 0.184 17805 8002 1 19 . 1 1 7 7 VAL N N 7 125.741 125.741 127.448 -1.707 17805 8003 1 19 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.877 0.053 17805 8004 1 19 . 1 1 7 7 VAL C C 7 178.215 178.215 173.951 4.264 17805 8005 1 19 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.284 0.079 17805 8006 1 19 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.247 -1.488 17805 8007 1 19 . 1 1 7 7 VAL H H 7 9.155 9.155 8.814 0.341 17805 8008 1 19 . 1 1 8 8 LYS N N 8 128.098 128.098 127.689 0.409 17805 8009 1 19 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.427 -0.195 17805 8010 1 19 . 1 1 8 8 LYS C C 8 178.353 178.353 174.435 3.918 17805 8011 1 19 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.569 0.706 17805 8012 1 19 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.759 -0.824 17805 8013 1 19 . 1 1 8 8 LYS H H 8 9.174 9.174 8.970 0.204 17805 8014 1 19 . 1 1 9 9 TRP N N 9 125.952 125.952 127.896 -1.944 17805 8015 1 19 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.035 0.150 17805 8016 1 19 . 1 1 9 9 TRP C C 9 176.432 176.432 175.970 0.462 17805 8017 1 19 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.719 1.015 17805 8018 1 19 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.599 -1.038 17805 8019 1 19 . 1 1 9 9 TRP H H 9 8.844 8.844 8.548 0.296 17805 8020 1 19 . 1 1 10 10 GLY N N 10 117.044 117.044 117.253 -0.209 17805 8021 1 19 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.375 1.726 17805 8022 1 19 . 1 1 10 10 GLY H H 10 8.683 8.683 8.776 -0.093 17805 8023 1 19 . 1 1 11 11 GLY N N 11 109.364 109.364 105.885 3.479 17805 8024 1 19 . 1 1 11 11 GLY C C 11 179.353 179.353 174.472 4.881 17805 8025 1 19 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.721 0.739 17805 8026 1 19 . 1 1 11 11 GLY H H 11 8.600 8.600 8.243 0.357 17805 8027 1 19 . 1 1 12 12 GLN N N 12 119.388 119.388 120.335 -0.947 17805 8028 1 19 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.306 0.177 17805 8029 1 19 . 1 1 12 12 GLN C C 12 179.098 179.098 175.145 3.953 17805 8030 1 19 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.842 -0.340 17805 8031 1 19 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.942 2.236 17805 8032 1 19 . 1 1 12 12 GLN H H 12 7.865 7.865 7.904 -0.039 17805 8033 1 19 . 1 1 13 13 GLU N N 13 119.756 119.756 119.828 -0.072 17805 8034 1 19 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.147 -0.267 17805 8035 1 19 . 1 1 13 13 GLU C C 13 177.641 177.641 175.262 2.379 17805 8036 1 19 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.259 0.396 17805 8037 1 19 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.688 -0.382 17805 8038 1 19 . 1 1 13 13 GLU H H 13 8.172 8.172 8.052 0.120 17805 8039 1 19 . 1 1 14 14 TYR N N 14 122.812 122.812 124.235 -1.423 17805 8040 1 19 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.871 -0.270 17805 8041 1 19 . 1 1 14 14 TYR C C 14 177.990 177.990 174.753 3.237 17805 8042 1 19 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.958 0.288 17805 8043 1 19 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.976 -0.432 17805 8044 1 19 . 1 1 14 14 TYR H H 14 9.381 9.381 8.912 0.469 17805 8045 1 19 . 1 1 15 15 SER N N 15 118.339 118.339 117.614 0.725 17805 8046 1 19 . 1 1 15 15 SER HA H 15 4.747 4.747 5.202 -0.455 17805 8047 1 19 . 1 1 15 15 SER C C 15 178.924 178.924 173.812 5.112 17805 8048 1 19 . 1 1 15 15 SER CA C 15 58.099 58.099 57.048 1.051 17805 8049 1 19 . 1 1 15 15 SER CB C 15 63.394 63.394 64.385 -0.991 17805 8050 1 19 . 1 1 15 15 SER H H 15 8.802 8.802 8.599 0.203 17805 8051 1 19 . 1 1 16 16 VAL N N 16 128.611 128.611 122.102 6.509 17805 8052 1 19 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.376 -0.171 17805 8053 1 19 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.441 1.903 17805 8054 1 19 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.834 -2.306 17805 8055 1 19 . 1 1 16 16 VAL H H 16 9.005 9.005 8.561 0.444 17805 8056 1 19 . 1 1 17 17 THR N N 17 116.170 116.170 114.519 1.651 17805 8057 1 19 . 1 1 17 17 THR HA H 17 4.533 4.533 4.469 0.064 17805 8058 1 19 . 1 1 17 17 THR C C 17 177.649 177.649 173.892 3.757 17805 8059 1 19 . 1 1 17 17 THR CA C 17 62.331 62.331 62.218 0.113 17805 8060 1 19 . 1 1 17 17 THR CB C 17 70.040 70.040 68.441 1.599 17805 8061 1 19 . 1 1 17 17 THR H H 17 8.746 8.746 8.246 0.500 17805 8062 1 19 . 1 1 18 18 THR N N 18 107.517 107.517 113.981 -6.464 17805 8063 1 19 . 1 1 18 18 THR HA H 18 4.173 4.173 4.277 -0.104 17805 8064 1 19 . 1 1 18 18 THR C C 18 178.498 178.498 173.544 4.954 17805 8065 1 19 . 1 1 18 18 THR CA C 18 61.772 61.772 62.483 -0.711 17805 8066 1 19 . 1 1 18 18 THR CB C 18 69.121 69.121 69.067 0.054 17805 8067 1 19 . 1 1 18 18 THR H H 18 6.812 6.812 7.968 -1.156 17805 8068 1 19 . 1 1 19 19 LEU N N 19 123.019 123.019 117.366 5.653 17805 8069 1 19 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.787 -0.204 17805 8070 1 19 . 1 1 19 19 LEU C C 19 177.299 177.299 174.742 2.557 17805 8071 1 19 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.677 1.503 17805 8072 1 19 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.932 -2.221 17805 8073 1 19 . 1 1 19 19 LEU H H 19 8.388 8.388 7.299 1.089 17805 8074 1 19 . 1 1 20 20 SER N N 20 117.870 117.870 112.217 5.653 17805 8075 1 19 . 1 1 20 20 SER HA H 20 4.863 4.863 5.110 -0.247 17805 8076 1 19 . 1 1 20 20 SER C C 20 177.249 177.249 175.688 1.561 17805 8077 1 19 . 1 1 20 20 SER CA C 20 56.832 56.832 56.197 0.635 17805 8078 1 19 . 1 1 20 20 SER CB C 20 67.845 67.845 66.579 1.266 17805 8079 1 19 . 1 1 20 20 SER H H 20 9.714 9.714 8.129 1.585 17805 8080 1 19 . 1 1 21 21 GLU N N 21 116.130 116.130 121.379 -5.249 17805 8081 1 19 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.902 -0.162 17805 8082 1 19 . 1 1 21 21 GLU C C 21 176.555 176.555 176.580 -0.025 17805 8083 1 19 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.418 -0.284 17805 8084 1 19 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.916 1.938 17805 8085 1 19 . 1 1 21 21 GLU H H 21 8.491 8.491 9.034 -0.543 17805 8086 1 19 . 1 1 22 22 ASP N N 22 115.741 115.741 115.191 0.550 17805 8087 1 19 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.529 0.120 17805 8088 1 19 . 1 1 22 22 ASP C C 22 176.555 176.555 176.744 -0.189 17805 8089 1 19 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.368 0.788 17805 8090 1 19 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.462 2.118 17805 8091 1 19 . 1 1 22 22 ASP H H 22 7.936 7.936 8.119 -0.183 17805 8092 1 19 . 1 1 23 23 ASP N N 23 119.945 119.945 121.003 -1.058 17805 8093 1 19 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.590 0.251 17805 8094 1 19 . 1 1 23 23 ASP C C 23 178.264 178.264 175.671 2.593 17805 8095 1 19 . 1 1 23 23 ASP CA C 23 55.223 55.223 55.922 -0.699 17805 8096 1 19 . 1 1 23 23 ASP CB C 23 42.782 42.782 43.040 -0.258 17805 8097 1 19 . 1 1 23 23 ASP H H 23 7.313 7.313 8.133 -0.820 17805 8098 1 19 . 1 1 24 24 THR N N 24 107.918 107.918 105.725 2.193 17805 8099 1 19 . 1 1 24 24 THR HA H 24 5.328 5.328 4.419 0.909 17805 8100 1 19 . 1 1 24 24 THR C C 24 176.363 176.363 174.096 2.267 17805 8101 1 19 . 1 1 24 24 THR CA C 24 60.989 60.989 61.528 -0.539 17805 8102 1 19 . 1 1 24 24 THR CB C 24 74.287 74.287 71.139 3.148 17805 8103 1 19 . 1 1 24 24 THR H H 24 9.630 9.630 7.413 2.217 17805 8104 1 19 . 1 1 25 25 VAL N N 25 120.192 120.192 123.040 -2.848 17805 8105 1 19 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.729 -0.395 17805 8106 1 19 . 1 1 25 25 VAL C C 25 175.092 175.092 177.039 -1.947 17805 8107 1 19 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.674 0.952 17805 8108 1 19 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.878 0.271 17805 8109 1 19 . 1 1 25 25 VAL H H 25 8.260 8.260 8.973 -0.713 17805 8110 1 19 . 1 1 26 26 LEU N N 26 119.941 119.941 119.410 0.531 17805 8111 1 19 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.195 -0.323 17805 8112 1 19 . 1 1 26 26 LEU C C 26 174.996 174.996 178.686 -3.690 17805 8113 1 19 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.956 0.636 17805 8114 1 19 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.443 0.273 17805 8115 1 19 . 1 1 26 26 LEU H H 26 8.523 8.523 8.250 0.273 17805 8116 1 19 . 1 1 27 27 ASP N N 27 118.322 118.322 120.016 -1.694 17805 8117 1 19 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.432 -0.159 17805 8118 1 19 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.059 1.604 17805 8119 1 19 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.004 -0.073 17805 8120 1 19 . 1 1 27 27 ASP H H 27 7.581 7.581 8.137 -0.556 17805 8121 1 19 . 1 1 28 28 LEU N N 28 122.021 122.021 121.402 0.619 17805 8122 1 19 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.185 -0.102 17805 8123 1 19 . 1 1 28 28 LEU C C 28 175.514 175.514 178.577 -3.063 17805 8124 1 19 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.660 1.112 17805 8125 1 19 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.261 -1.036 17805 8126 1 19 . 1 1 28 28 LEU H H 28 7.837 7.837 7.873 -0.036 17805 8127 1 19 . 1 1 29 29 LYS N N 29 119.086 119.086 119.319 -0.233 17805 8128 1 19 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.895 0.625 17805 8129 1 19 . 1 1 29 29 LYS C C 29 172.261 172.261 178.745 -6.484 17805 8130 1 19 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.882 -0.095 17805 8131 1 19 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.883 2.414 17805 8132 1 19 . 1 1 29 29 LYS H H 29 8.467 8.467 8.702 -0.235 17805 8133 1 19 . 1 1 30 30 GLN N N 30 119.268 119.268 118.319 0.949 17805 8134 1 19 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.016 -0.084 17805 8135 1 19 . 1 1 30 30 GLN C C 30 174.240 174.240 178.389 -4.149 17805 8136 1 19 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.517 1.146 17805 8137 1 19 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.025 -0.219 17805 8138 1 19 . 1 1 30 30 GLN H H 30 9.049 9.049 7.835 1.214 17805 8139 1 19 . 1 1 31 31 PHE N N 31 121.690 121.690 120.723 0.967 17805 8140 1 19 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.191 0.027 17805 8141 1 19 . 1 1 31 31 PHE C C 31 173.970 173.970 177.585 -3.615 17805 8142 1 19 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.236 0.731 17805 8143 1 19 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.386 -0.012 17805 8144 1 19 . 1 1 31 31 PHE H H 31 8.039 8.039 7.758 0.281 17805 8145 1 19 . 1 1 32 32 LEU N N 32 118.232 118.232 117.229 1.003 17805 8146 1 19 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.023 -0.386 17805 8147 1 19 . 1 1 32 32 LEU C C 32 172.367 172.367 178.234 -5.867 17805 8148 1 19 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.948 -0.240 17805 8149 1 19 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.878 0.392 17805 8150 1 19 . 1 1 32 32 LEU H H 32 8.776 8.776 8.188 0.588 17805 8151 1 19 . 1 1 33 33 LYS N N 33 125.920 125.920 119.899 6.021 17805 8152 1 19 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.062 -0.260 17805 8153 1 19 . 1 1 33 33 LYS C C 33 173.820 173.820 178.719 -4.899 17805 8154 1 19 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.559 1.558 17805 8155 1 19 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.262 0.439 17805 8156 1 19 . 1 1 33 33 LYS H H 33 8.237 8.237 8.496 -0.259 17805 8157 1 19 . 1 1 34 34 THR N N 34 114.544 114.544 113.924 0.620 17805 8158 1 19 . 1 1 34 34 THR HA H 34 3.773 3.773 4.056 -0.283 17805 8159 1 19 . 1 1 34 34 THR C C 34 177.649 177.649 175.520 2.129 17805 8160 1 19 . 1 1 34 34 THR CA C 34 65.749 65.749 64.979 0.770 17805 8161 1 19 . 1 1 34 34 THR CB C 34 68.620 68.620 68.733 -0.113 17805 8162 1 19 . 1 1 34 34 THR H H 34 7.281 7.281 7.462 -0.181 17805 8163 1 19 . 1 1 35 35 LEU N N 35 117.590 117.590 118.431 -0.841 17805 8164 1 19 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.248 -0.230 17805 8165 1 19 . 1 1 35 35 LEU C C 35 175.105 175.105 177.136 -2.031 17805 8166 1 19 . 1 1 35 35 LEU CA C 35 57.015 57.015 56.098 0.917 17805 8167 1 19 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.383 1.620 17805 8168 1 19 . 1 1 35 35 LEU H H 35 6.752 6.752 7.270 -0.518 17805 8169 1 19 . 1 1 36 36 THR N N 36 104.865 104.865 108.067 -3.202 17805 8170 1 19 . 1 1 36 36 THR HA H 36 3.967 3.967 4.251 -0.284 17805 8171 1 19 . 1 1 36 36 THR C C 36 178.094 178.094 175.848 2.246 17805 8172 1 19 . 1 1 36 36 THR CA C 36 62.756 62.756 61.905 0.851 17805 8173 1 19 . 1 1 36 36 THR CB C 36 72.343 72.343 70.456 1.887 17805 8174 1 19 . 1 1 36 36 THR H H 36 7.675 7.675 7.824 -0.149 17805 8175 1 19 . 1 1 37 37 GLY N N 37 109.795 109.795 110.469 -0.674 17805 8176 1 19 . 1 1 37 37 GLY C C 37 179.368 179.368 173.297 6.071 17805 8177 1 19 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.898 -0.339 17805 8178 1 19 . 1 1 37 37 GLY H H 37 7.971 7.971 8.334 -0.363 17805 8179 1 19 . 1 1 38 38 VAL N N 38 122.557 122.557 122.307 0.250 17805 8180 1 19 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.285 -0.647 17805 8181 1 19 . 1 1 38 38 VAL C C 38 177.289 177.289 174.255 3.034 17805 8182 1 19 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.324 2.113 17805 8183 1 19 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.372 -1.982 17805 8184 1 19 . 1 1 38 38 VAL H H 38 7.533 7.533 7.070 0.463 17805 8185 1 19 . 1 1 39 39 LEU N N 39 127.828 127.828 124.281 3.547 17805 8186 1 19 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.890 -0.896 17805 8187 1 19 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.884 3.553 17805 8188 1 19 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.277 0.280 17805 8189 1 19 . 1 1 39 39 LEU H H 39 8.634 8.634 8.245 0.389 17805 8190 1 19 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.577 -0.738 17805 8191 1 19 . 1 1 40 40 PRO C C 40 174.857 174.857 177.353 -2.496 17805 8192 1 19 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.666 2.323 17805 8193 1 19 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.941 0.381 17805 8194 1 19 . 1 1 41 41 GLU N N 41 114.752 114.752 117.070 -2.318 17805 8195 1 19 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.141 -0.070 17805 8196 1 19 . 1 1 41 41 GLU C C 41 176.350 176.350 177.734 -1.384 17805 8197 1 19 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.712 1.226 17805 8198 1 19 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.186 -0.362 17805 8199 1 19 . 1 1 41 41 GLU H H 41 9.746 9.746 8.594 1.152 17805 8200 1 19 . 1 1 42 42 ARG N N 42 118.145 118.145 116.945 1.200 17805 8201 1 19 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.438 -0.123 17805 8202 1 19 . 1 1 42 42 ARG C C 42 177.731 177.731 176.464 1.267 17805 8203 1 19 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.735 -1.287 17805 8204 1 19 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.951 -0.846 17805 8205 1 19 . 1 1 42 42 ARG H H 42 7.938 7.938 7.541 0.397 17805 8206 1 19 . 1 1 43 43 GLN N N 43 118.250 118.250 115.985 2.265 17805 8207 1 19 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.440 -0.189 17805 8208 1 19 . 1 1 43 43 GLN C C 43 176.186 176.186 173.870 2.316 17805 8209 1 19 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.684 1.853 17805 8210 1 19 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.813 -0.821 17805 8211 1 19 . 1 1 43 43 GLN H H 43 7.034 7.034 7.593 -0.559 17805 8212 1 19 . 1 1 44 44 LYS N N 44 122.693 122.693 118.419 4.274 17805 8213 1 19 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.714 -0.250 17805 8214 1 19 . 1 1 44 44 LYS C C 44 178.040 178.040 174.473 3.567 17805 8215 1 19 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.596 0.956 17805 8216 1 19 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.763 -0.438 17805 8217 1 19 . 1 1 44 44 LYS H H 44 8.806 8.806 8.071 0.735 17805 8218 1 19 . 1 1 45 45 LEU N N 45 124.806 124.806 122.594 2.212 17805 8219 1 19 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.666 0.277 17805 8220 1 19 . 1 1 45 45 LEU C C 45 176.506 176.506 178.002 -1.496 17805 8221 1 19 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.156 -0.614 17805 8222 1 19 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.110 -0.289 17805 8223 1 19 . 1 1 45 45 LEU H H 45 8.704 8.704 8.651 0.053 17805 8224 1 19 . 1 1 46 46 LEU N N 46 124.709 124.709 125.820 -1.111 17805 8225 1 19 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.104 0.254 17805 8226 1 19 . 1 1 46 46 LEU C C 46 175.289 175.289 176.147 -0.858 17805 8227 1 19 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.280 -0.521 17805 8228 1 19 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.412 1.114 17805 8229 1 19 . 1 1 46 46 LEU H H 46 8.751 8.751 8.769 -0.018 17805 8230 1 19 . 1 1 47 47 GLY N N 47 109.276 109.276 111.466 -2.190 17805 8231 1 19 . 1 1 47 47 GLY C C 47 179.057 179.057 172.605 6.452 17805 8232 1 19 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.846 0.714 17805 8233 1 19 . 1 1 47 47 GLY H H 47 8.300 8.300 7.795 0.505 17805 8234 1 19 . 1 1 48 48 LEU N N 48 119.707 119.707 120.288 -0.581 17805 8235 1 19 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.818 -0.228 17805 8236 1 19 . 1 1 48 48 LEU C C 48 177.598 177.598 175.711 1.887 17805 8237 1 19 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.436 0.509 17805 8238 1 19 . 1 1 48 48 LEU CB C 48 41.414 41.414 45.583 -4.169 17805 8239 1 19 . 1 1 48 48 LEU H H 48 7.581 7.581 8.222 -0.641 17805 8240 1 19 . 1 1 49 49 LYS N N 49 124.527 124.527 118.816 5.711 17805 8241 1 19 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.847 0.005 17805 8242 1 19 . 1 1 49 49 LYS C C 49 178.059 178.059 175.408 2.651 17805 8243 1 19 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.900 0.763 17805 8244 1 19 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.739 3.842 17805 8245 1 19 . 1 1 49 49 LYS H H 49 8.606 8.606 8.153 0.453 17805 8246 1 19 . 1 1 50 50 VAL N N 50 119.184 119.184 123.741 -4.557 17805 8247 1 19 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.356 -0.243 17805 8248 1 19 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.717 1.149 17805 8249 1 19 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.132 0.602 17805 8250 1 19 . 1 1 50 50 VAL H H 50 8.799 8.799 8.559 0.240 17805 8251 1 19 . 1 1 51 51 LYS N N 51 127.069 127.069 127.937 -0.868 17805 8252 1 19 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.975 -0.151 17805 8253 1 19 . 1 1 51 51 LYS C C 51 176.418 176.418 176.317 0.101 17805 8254 1 19 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.078 0.329 17805 8255 1 19 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.823 0.832 17805 8256 1 19 . 1 1 51 51 LYS H H 51 9.451 9.451 9.315 0.136 17805 8257 1 19 . 1 1 52 52 GLY N N 52 102.671 102.671 102.705 -0.034 17805 8258 1 19 . 1 1 52 52 GLY C C 52 179.392 179.392 174.501 4.891 17805 8259 1 19 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.084 0.726 17805 8260 1 19 . 1 1 52 52 GLY H H 52 8.512 8.512 8.440 0.072 17805 8261 1 19 . 1 1 53 53 LYS N N 53 121.307 121.307 121.548 -0.241 17805 8262 1 19 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.723 0.106 17805 8263 1 19 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.025 0.591 17805 8264 1 19 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.299 0.641 17805 8265 1 19 . 1 1 53 53 LYS H H 53 7.781 7.781 7.890 -0.109 17805 8266 1 19 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.348 0.028 17805 8267 1 19 . 1 1 54 54 PRO C C 54 175.954 175.954 176.075 -0.121 17805 8268 1 19 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.776 1.041 17805 8269 1 19 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.765 2.386 17805 8270 1 19 . 1 1 55 55 ALA N N 55 125.654 125.654 122.857 2.797 17805 8271 1 19 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.913 0.225 17805 8272 1 19 . 1 1 55 55 ALA C C 55 175.977 175.977 176.840 -0.863 17805 8273 1 19 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.541 0.123 17805 8274 1 19 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.133 1.911 17805 8275 1 19 . 1 1 55 55 ALA H H 55 8.114 8.114 8.188 -0.074 17805 8276 1 19 . 1 1 56 56 GLU N N 56 122.313 122.313 120.865 1.448 17805 8277 1 19 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.041 0.174 17805 8278 1 19 . 1 1 56 56 GLU C C 56 176.924 176.924 177.765 -0.841 17805 8279 1 19 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.481 -0.392 17805 8280 1 19 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.504 0.582 17805 8281 1 19 . 1 1 56 56 GLU H H 56 8.179 8.179 8.362 -0.183 17805 8282 1 19 . 1 1 57 57 ASN N N 57 115.140 115.140 120.990 -5.850 17805 8283 1 19 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.393 -0.164 17805 8284 1 19 . 1 1 57 57 ASN C C 57 177.457 177.457 176.682 0.775 17805 8285 1 19 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.205 -1.006 17805 8286 1 19 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.082 1.145 17805 8287 1 19 . 1 1 57 57 ASN H H 57 8.504 8.504 8.877 -0.373 17805 8288 1 19 . 1 1 58 58 ASP N N 58 112.832 112.832 116.756 -3.924 17805 8289 1 19 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.507 -0.019 17805 8290 1 19 . 1 1 58 58 ASP C C 58 177.255 177.255 176.186 1.069 17805 8291 1 19 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.285 -0.676 17805 8292 1 19 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.093 -0.789 17805 8293 1 19 . 1 1 58 58 ASP H H 58 8.198 8.198 8.351 -0.153 17805 8294 1 19 . 1 1 59 59 VAL N N 59 122.073 122.073 121.644 0.429 17805 8295 1 19 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.953 -0.360 17805 8296 1 19 . 1 1 59 59 VAL C C 59 177.321 177.321 175.945 1.376 17805 8297 1 19 . 1 1 59 59 VAL CA C 59 63.840 63.840 63.353 0.487 17805 8298 1 19 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.187 0.135 17805 8299 1 19 . 1 1 59 59 VAL H H 59 7.353 7.353 7.808 -0.455 17805 8300 1 19 . 1 1 60 60 LYS N N 60 125.064 125.064 126.052 -0.988 17805 8301 1 19 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.134 0.313 17805 8302 1 19 . 1 1 60 60 LYS C C 60 174.649 174.649 177.296 -2.647 17805 8303 1 19 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.841 -0.656 17805 8304 1 19 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.689 0.416 17805 8305 1 19 . 1 1 60 60 LYS H H 60 8.339 8.339 8.512 -0.173 17805 8306 1 19 . 1 1 61 61 LEU N N 61 121.612 121.612 121.379 0.233 17805 8307 1 19 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.221 -0.445 17805 8308 1 19 . 1 1 61 61 LEU C C 61 171.906 171.906 179.123 -7.217 17805 8309 1 19 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.051 0.936 17805 8310 1 19 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.950 -0.118 17805 8311 1 19 . 1 1 61 61 LEU H H 61 9.423 9.423 8.460 0.963 17805 8312 1 19 . 1 1 62 62 GLY N N 62 104.008 104.008 105.053 -1.045 17805 8313 1 19 . 1 1 62 62 GLY C C 62 177.869 177.869 175.055 2.814 17805 8314 1 19 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.816 -0.044 17805 8315 1 19 . 1 1 62 62 GLY H H 62 9.107 9.107 7.624 1.483 17805 8316 1 19 . 1 1 63 63 ALA N N 63 122.025 122.025 123.543 -1.518 17805 8317 1 19 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.128 0.145 17805 8318 1 19 . 1 1 63 63 ALA C C 63 174.499 174.499 178.191 -3.692 17805 8319 1 19 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.143 -0.722 17805 8320 1 19 . 1 1 63 63 ALA CB C 63 18.816 18.816 19.014 -0.198 17805 8321 1 19 . 1 1 63 63 ALA H H 63 7.755 7.755 8.063 -0.308 17805 8322 1 19 . 1 1 64 64 LEU N N 64 115.454 115.454 114.150 1.304 17805 8323 1 19 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.534 -0.466 17805 8324 1 19 . 1 1 64 64 LEU C C 64 177.197 177.197 177.861 -0.664 17805 8325 1 19 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.215 0.352 17805 8326 1 19 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.408 -0.272 17805 8327 1 19 . 1 1 64 64 LEU H H 64 7.214 7.214 7.515 -0.301 17805 8328 1 19 . 1 1 65 65 LYS N N 65 114.830 114.830 118.762 -3.932 17805 8329 1 19 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.068 -0.230 17805 8330 1 19 . 1 1 65 65 LYS C C 65 177.061 177.061 176.907 0.154 17805 8331 1 19 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.519 -1.782 17805 8332 1 19 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.044 -3.737 17805 8333 1 19 . 1 1 65 65 LYS H H 65 7.642 7.642 8.039 -0.397 17805 8334 1 19 . 1 1 66 66 LEU N N 66 119.305 119.305 111.378 7.927 17805 8335 1 19 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.545 -0.382 17805 8336 1 19 . 1 1 66 66 LEU C C 66 175.393 175.393 175.757 -0.364 17805 8337 1 19 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.522 0.325 17805 8338 1 19 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.521 0.191 17805 8339 1 19 . 1 1 66 66 LEU H H 66 8.516 8.516 7.503 1.013 17805 8340 1 19 . 1 1 67 67 LYS N N 67 121.480 121.480 120.602 0.878 17805 8341 1 19 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.589 -0.092 17805 8342 1 19 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.131 -1.979 17805 8343 1 19 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.652 0.346 17805 8344 1 19 . 1 1 67 67 LYS H H 67 7.955 7.955 8.390 -0.435 17805 8345 1 19 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.298 -0.129 17805 8346 1 19 . 1 1 68 68 PRO C C 68 176.609 176.609 177.726 -1.117 17805 8347 1 19 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.515 -1.126 17805 8348 1 19 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.130 0.084 17805 8349 1 19 . 1 1 69 69 ASN N N 69 115.414 115.414 116.010 -0.596 17805 8350 1 19 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.471 -0.509 17805 8351 1 19 . 1 1 69 69 ASN C C 69 178.824 178.824 175.696 3.128 17805 8352 1 19 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.770 0.251 17805 8353 1 19 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.824 -0.777 17805 8354 1 19 . 1 1 69 69 ASN H H 69 8.966 8.966 8.469 0.497 17805 8355 1 19 . 1 1 70 70 THR N N 70 115.426 115.426 115.064 0.362 17805 8356 1 19 . 1 1 70 70 THR HA H 70 3.949 3.949 4.432 -0.483 17805 8357 1 19 . 1 1 70 70 THR C C 70 180.592 180.592 174.209 6.383 17805 8358 1 19 . 1 1 70 70 THR CA C 70 65.247 65.247 62.924 2.323 17805 8359 1 19 . 1 1 70 70 THR CB C 70 70.132 70.132 70.244 -0.112 17805 8360 1 19 . 1 1 70 70 THR H H 70 7.712 7.712 7.670 0.042 17805 8361 1 19 . 1 1 71 71 LYS N N 71 124.603 124.603 123.816 0.787 17805 8362 1 19 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.913 0.266 17805 8363 1 19 . 1 1 71 71 LYS C C 71 177.157 177.157 175.992 1.165 17805 8364 1 19 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.845 0.495 17805 8365 1 19 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.004 -0.275 17805 8366 1 19 . 1 1 71 71 LYS H H 71 8.284 8.284 8.306 -0.022 17805 8367 1 19 . 1 1 72 72 ILE N N 72 123.505 123.505 120.307 3.198 17805 8368 1 19 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.525 -0.014 17805 8369 1 19 . 1 1 72 72 ILE C C 72 178.360 178.360 174.713 3.647 17805 8370 1 19 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.479 0.157 17805 8371 1 19 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.914 -0.087 17805 8372 1 19 . 1 1 72 72 ILE H H 72 9.142 9.142 8.924 0.218 17805 8373 1 19 . 1 1 73 73 MET N N 73 123.090 123.090 120.948 2.142 17805 8374 1 19 . 1 1 73 73 MET HA H 73 5.122 5.122 4.968 0.154 17805 8375 1 19 . 1 1 73 73 MET C C 73 179.095 179.095 175.306 3.789 17805 8376 1 19 . 1 1 73 73 MET CA C 73 54.949 54.949 54.912 0.037 17805 8377 1 19 . 1 1 73 73 MET CB C 73 35.143 35.143 35.835 -0.692 17805 8378 1 19 . 1 1 73 73 MET H H 73 8.556 8.556 8.821 -0.265 17805 8379 1 19 . 1 1 74 74 MET N N 74 124.481 124.481 122.135 2.346 17805 8380 1 19 . 1 1 74 74 MET HA H 74 5.288 5.288 4.776 0.512 17805 8381 1 19 . 1 1 74 74 MET C C 74 178.476 178.476 175.386 3.090 17805 8382 1 19 . 1 1 74 74 MET CA C 74 54.862 54.862 55.177 -0.315 17805 8383 1 19 . 1 1 74 74 MET CB C 74 36.294 36.294 34.228 2.066 17805 8384 1 19 . 1 1 74 74 MET H H 74 8.924 8.924 8.955 -0.031 17805 8385 1 19 . 1 1 75 75 MET N N 75 123.963 123.963 124.852 -0.889 17805 8386 1 19 . 1 1 75 75 MET HA H 75 5.093 5.093 4.892 0.201 17805 8387 1 19 . 1 1 75 75 MET C C 75 177.842 177.842 175.082 2.760 17805 8388 1 19 . 1 1 75 75 MET CA C 75 54.265 54.265 54.539 -0.274 17805 8389 1 19 . 1 1 75 75 MET CB C 75 35.566 35.566 32.765 2.801 17805 8390 1 19 . 1 1 75 75 MET H H 75 9.112 9.112 8.163 0.949 17805 8391 1 19 . 1 1 76 76 GLY N N 76 109.773 109.773 111.389 -1.616 17805 8392 1 19 . 1 1 76 76 GLY C C 76 180.165 180.165 172.728 7.437 17805 8393 1 19 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.587 0.314 17805 8394 1 19 . 1 1 76 76 GLY H H 76 8.711 8.711 8.440 0.271 17805 8395 1 19 . 1 1 77 77 THR N N 77 113.345 113.345 113.709 -0.364 17805 8396 1 19 . 1 1 77 77 THR HA H 77 4.787 4.787 4.822 -0.035 17805 8397 1 19 . 1 1 77 77 THR C C 77 178.955 178.955 173.367 5.588 17805 8398 1 19 . 1 1 77 77 THR CA C 77 60.728 60.728 60.797 -0.069 17805 8399 1 19 . 1 1 77 77 THR CB C 77 71.481 71.481 71.435 0.046 17805 8400 1 19 . 1 1 77 77 THR H H 77 8.280 8.280 8.072 0.208 17805 8401 1 19 . 1 1 78 78 ARG N N 78 122.844 122.844 123.243 -0.399 17805 8402 1 19 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.426 -0.278 17805 8403 1 19 . 1 1 78 78 ARG C C 78 177.011 177.011 176.001 1.010 17805 8404 1 19 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.521 2.360 17805 8405 1 19 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.369 0.238 17805 8406 1 19 . 1 1 78 78 ARG H H 78 8.852 8.852 8.539 0.313 17805 8407 1 19 . 1 1 79 79 GLU N N 79 122.181 122.181 120.886 1.295 17805 8408 1 19 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.418 -0.212 17805 8409 1 19 . 1 1 79 79 GLU C C 79 176.784 176.784 177.006 -0.222 17805 8410 1 19 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.686 1.321 17805 8411 1 19 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.602 0.162 17805 8412 1 19 . 1 1 79 79 GLU H H 79 8.300 8.300 8.326 -0.026 17805 8413 1 19 . 1 1 80 80 GLU N N 80 126.965 126.965 120.489 6.476 17805 8414 1 19 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.203 -0.154 17805 8415 1 19 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.575 0.753 17805 8416 1 19 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.684 1.603 17805 8417 1 19 . 1 1 80 80 GLU H H 80 8.015 8.015 8.715 -0.700 17805 8418 1 20 . 1 1 2 2 ALA N N 2 126.014 126.014 125.010 1.004 17805 8419 1 20 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.603 -0.570 17805 8420 1 20 . 1 1 2 2 ALA C C 2 176.202 176.202 175.924 0.278 17805 8421 1 20 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.251 1.964 17805 8422 1 20 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.380 -1.004 17805 8423 1 20 . 1 1 2 2 ALA H H 2 8.410 8.410 8.443 -0.033 17805 8424 1 20 . 1 1 3 3 LEU N N 3 123.255 123.255 122.860 0.395 17805 8425 1 20 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.742 -0.096 17805 8426 1 20 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.859 -0.042 17805 8427 1 20 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.273 0.284 17805 8428 1 20 . 1 1 3 3 LEU H H 3 8.271 8.271 8.287 -0.016 17805 8429 1 20 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.759 -0.153 17805 8430 1 20 . 1 1 4 4 PRO C C 4 179.796 179.796 175.656 4.140 17805 8431 1 20 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.214 1.026 17805 8432 1 20 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.821 -0.751 17805 8433 1 20 . 1 1 5 5 ILE N N 5 122.161 122.161 118.370 3.791 17805 8434 1 20 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.710 -0.351 17805 8435 1 20 . 1 1 5 5 ILE C C 5 179.202 179.202 175.453 3.749 17805 8436 1 20 . 1 1 5 5 ILE CA C 5 60.833 60.833 59.896 0.937 17805 8437 1 20 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.375 1.568 17805 8438 1 20 . 1 1 5 5 ILE H H 5 8.317 8.317 7.820 0.497 17805 8439 1 20 . 1 1 6 6 ILE N N 6 125.649 125.649 127.654 -2.005 17805 8440 1 20 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.577 0.344 17805 8441 1 20 . 1 1 6 6 ILE C C 6 178.393 178.393 174.674 3.719 17805 8442 1 20 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.018 -1.153 17805 8443 1 20 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.885 0.379 17805 8444 1 20 . 1 1 6 6 ILE H H 6 8.408 8.408 8.227 0.181 17805 8445 1 20 . 1 1 7 7 VAL N N 7 125.741 125.741 127.580 -1.839 17805 8446 1 20 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.702 0.228 17805 8447 1 20 . 1 1 7 7 VAL C C 7 178.215 178.215 173.939 4.276 17805 8448 1 20 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.480 -0.117 17805 8449 1 20 . 1 1 7 7 VAL CB C 7 34.759 34.759 36.049 -1.290 17805 8450 1 20 . 1 1 7 7 VAL H H 7 9.155 9.155 9.038 0.117 17805 8451 1 20 . 1 1 8 8 LYS N N 8 128.098 128.098 128.259 -0.161 17805 8452 1 20 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.394 -0.162 17805 8453 1 20 . 1 1 8 8 LYS C C 8 178.353 178.353 174.335 4.018 17805 8454 1 20 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.711 0.564 17805 8455 1 20 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.353 -0.418 17805 8456 1 20 . 1 1 8 8 LYS H H 8 9.174 9.174 8.753 0.421 17805 8457 1 20 . 1 1 9 9 TRP N N 9 125.952 125.952 128.171 -2.219 17805 8458 1 20 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.027 0.158 17805 8459 1 20 . 1 1 9 9 TRP C C 9 176.432 176.432 175.958 0.474 17805 8460 1 20 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.662 1.072 17805 8461 1 20 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.912 -1.351 17805 8462 1 20 . 1 1 9 9 TRP H H 9 8.844 8.844 8.441 0.403 17805 8463 1 20 . 1 1 10 10 GLY N N 10 117.044 117.044 115.644 1.400 17805 8464 1 20 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.508 1.593 17805 8465 1 20 . 1 1 10 10 GLY H H 10 8.683 8.683 8.810 -0.127 17805 8466 1 20 . 1 1 11 11 GLY N N 11 109.364 109.364 105.431 3.933 17805 8467 1 20 . 1 1 11 11 GLY C C 11 179.353 179.353 174.959 4.394 17805 8468 1 20 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.026 0.434 17805 8469 1 20 . 1 1 11 11 GLY H H 11 8.600 8.600 8.372 0.228 17805 8470 1 20 . 1 1 12 12 GLN N N 12 119.388 119.388 120.403 -1.015 17805 8471 1 20 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.330 0.153 17805 8472 1 20 . 1 1 12 12 GLN C C 12 179.098 179.098 174.815 4.283 17805 8473 1 20 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.829 -0.327 17805 8474 1 20 . 1 1 12 12 GLN CB C 12 32.178 32.178 30.067 2.111 17805 8475 1 20 . 1 1 12 12 GLN H H 12 7.865 7.865 7.856 0.009 17805 8476 1 20 . 1 1 13 13 GLU N N 13 119.756 119.756 119.344 0.412 17805 8477 1 20 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.263 -0.383 17805 8478 1 20 . 1 1 13 13 GLU C C 13 177.641 177.641 175.352 2.289 17805 8479 1 20 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.072 0.583 17805 8480 1 20 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.816 -0.510 17805 8481 1 20 . 1 1 13 13 GLU H H 13 8.172 8.172 8.044 0.128 17805 8482 1 20 . 1 1 14 14 TYR N N 14 122.812 122.812 123.942 -1.130 17805 8483 1 20 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.831 -0.230 17805 8484 1 20 . 1 1 14 14 TYR C C 14 177.990 177.990 174.883 3.107 17805 8485 1 20 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.846 0.400 17805 8486 1 20 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.297 -0.753 17805 8487 1 20 . 1 1 14 14 TYR H H 14 9.381 9.381 8.803 0.578 17805 8488 1 20 . 1 1 15 15 SER N N 15 118.339 118.339 119.063 -0.724 17805 8489 1 20 . 1 1 15 15 SER HA H 15 4.747 4.747 5.343 -0.596 17805 8490 1 20 . 1 1 15 15 SER C C 15 178.924 178.924 173.549 5.375 17805 8491 1 20 . 1 1 15 15 SER CA C 15 58.099 58.099 57.387 0.712 17805 8492 1 20 . 1 1 15 15 SER CB C 15 63.394 63.394 64.848 -1.454 17805 8493 1 20 . 1 1 15 15 SER H H 15 8.802 8.802 8.633 0.169 17805 8494 1 20 . 1 1 16 16 VAL N N 16 128.611 128.611 121.500 7.111 17805 8495 1 20 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.411 -0.206 17805 8496 1 20 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.344 2.000 17805 8497 1 20 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.446 -1.918 17805 8498 1 20 . 1 1 16 16 VAL H H 16 9.005 9.005 8.719 0.286 17805 8499 1 20 . 1 1 17 17 THR N N 17 116.170 116.170 113.762 2.408 17805 8500 1 20 . 1 1 17 17 THR HA H 17 4.533 4.533 4.495 0.038 17805 8501 1 20 . 1 1 17 17 THR C C 17 177.649 177.649 173.986 3.663 17805 8502 1 20 . 1 1 17 17 THR CA C 17 62.331 62.331 62.422 -0.091 17805 8503 1 20 . 1 1 17 17 THR CB C 17 70.040 70.040 68.874 1.166 17805 8504 1 20 . 1 1 17 17 THR H H 17 8.746 8.746 8.330 0.416 17805 8505 1 20 . 1 1 18 18 THR N N 18 107.517 107.517 113.906 -6.389 17805 8506 1 20 . 1 1 18 18 THR HA H 18 4.173 4.173 4.257 -0.084 17805 8507 1 20 . 1 1 18 18 THR C C 18 178.498 178.498 173.646 4.852 17805 8508 1 20 . 1 1 18 18 THR CA C 18 61.772 61.772 62.363 -0.591 17805 8509 1 20 . 1 1 18 18 THR CB C 18 69.121 69.121 69.007 0.114 17805 8510 1 20 . 1 1 18 18 THR H H 18 6.812 6.812 8.019 -1.207 17805 8511 1 20 . 1 1 19 19 LEU N N 19 123.019 123.019 116.779 6.240 17805 8512 1 20 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.802 -0.219 17805 8513 1 20 . 1 1 19 19 LEU C C 19 177.299 177.299 174.637 2.662 17805 8514 1 20 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.544 1.636 17805 8515 1 20 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.907 -2.196 17805 8516 1 20 . 1 1 19 19 LEU H H 19 8.388 8.388 7.312 1.076 17805 8517 1 20 . 1 1 20 20 SER N N 20 117.870 117.870 112.822 5.048 17805 8518 1 20 . 1 1 20 20 SER HA H 20 4.863 4.863 5.136 -0.273 17805 8519 1 20 . 1 1 20 20 SER C C 20 177.249 177.249 175.611 1.638 17805 8520 1 20 . 1 1 20 20 SER CA C 20 56.832 56.832 56.189 0.643 17805 8521 1 20 . 1 1 20 20 SER CB C 20 67.845 67.845 66.483 1.362 17805 8522 1 20 . 1 1 20 20 SER H H 20 9.714 9.714 8.143 1.571 17805 8523 1 20 . 1 1 21 21 GLU N N 21 116.130 116.130 121.158 -5.028 17805 8524 1 20 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.955 -0.215 17805 8525 1 20 . 1 1 21 21 GLU C C 21 176.555 176.555 176.477 0.078 17805 8526 1 20 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.188 -0.055 17805 8527 1 20 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.809 2.045 17805 8528 1 20 . 1 1 21 21 GLU H H 21 8.491 8.491 9.018 -0.527 17805 8529 1 20 . 1 1 22 22 ASP N N 22 115.741 115.741 117.367 -1.626 17805 8530 1 20 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.592 0.058 17805 8531 1 20 . 1 1 22 22 ASP C C 22 176.555 176.555 176.932 -0.377 17805 8532 1 20 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.629 -0.473 17805 8533 1 20 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.037 2.542 17805 8534 1 20 . 1 1 22 22 ASP H H 22 7.936 7.936 8.481 -0.545 17805 8535 1 20 . 1 1 23 23 ASP N N 23 119.945 119.945 120.057 -0.112 17805 8536 1 20 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.584 0.257 17805 8537 1 20 . 1 1 23 23 ASP C C 23 178.264 178.264 175.636 2.628 17805 8538 1 20 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.447 -1.224 17805 8539 1 20 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.439 0.343 17805 8540 1 20 . 1 1 23 23 ASP H H 23 7.313 7.313 8.194 -0.881 17805 8541 1 20 . 1 1 24 24 THR N N 24 107.918 107.918 107.472 0.446 17805 8542 1 20 . 1 1 24 24 THR HA H 24 5.328 5.328 4.498 0.830 17805 8543 1 20 . 1 1 24 24 THR C C 24 176.363 176.363 174.335 2.028 17805 8544 1 20 . 1 1 24 24 THR CA C 24 60.989 60.989 61.690 -0.701 17805 8545 1 20 . 1 1 24 24 THR CB C 24 74.287 74.287 70.632 3.655 17805 8546 1 20 . 1 1 24 24 THR H H 24 9.630 9.630 7.540 2.090 17805 8547 1 20 . 1 1 25 25 VAL N N 25 120.192 120.192 123.193 -3.001 17805 8548 1 20 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.634 -0.300 17805 8549 1 20 . 1 1 25 25 VAL C C 25 175.092 175.092 177.175 -2.083 17805 8550 1 20 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.422 0.204 17805 8551 1 20 . 1 1 25 25 VAL CB C 25 32.149 32.149 32.079 0.070 17805 8552 1 20 . 1 1 25 25 VAL H H 25 8.260 8.260 9.025 -0.765 17805 8553 1 20 . 1 1 26 26 LEU N N 26 119.941 119.941 118.883 1.058 17805 8554 1 20 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.139 -0.267 17805 8555 1 20 . 1 1 26 26 LEU C C 26 174.996 174.996 178.510 -3.514 17805 8556 1 20 . 1 1 26 26 LEU CA C 26 58.592 58.592 57.710 0.882 17805 8557 1 20 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.434 0.282 17805 8558 1 20 . 1 1 26 26 LEU H H 26 8.523 8.523 8.068 0.455 17805 8559 1 20 . 1 1 27 27 ASP N N 27 118.322 118.322 119.991 -1.669 17805 8560 1 20 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.437 -0.164 17805 8561 1 20 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.032 1.631 17805 8562 1 20 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.030 -0.099 17805 8563 1 20 . 1 1 27 27 ASP H H 27 7.581 7.581 8.122 -0.541 17805 8564 1 20 . 1 1 28 28 LEU N N 28 122.021 122.021 121.448 0.573 17805 8565 1 20 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.188 -0.105 17805 8566 1 20 . 1 1 28 28 LEU C C 28 175.514 175.514 178.606 -3.092 17805 8567 1 20 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.789 0.983 17805 8568 1 20 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.346 -1.121 17805 8569 1 20 . 1 1 28 28 LEU H H 28 7.837 7.837 7.858 -0.021 17805 8570 1 20 . 1 1 29 29 LYS N N 29 119.086 119.086 118.672 0.414 17805 8571 1 20 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.921 0.599 17805 8572 1 20 . 1 1 29 29 LYS C C 29 172.261 172.261 178.814 -6.553 17805 8573 1 20 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.921 -0.134 17805 8574 1 20 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.835 2.462 17805 8575 1 20 . 1 1 29 29 LYS H H 29 8.467 8.467 8.690 -0.223 17805 8576 1 20 . 1 1 30 30 GLN N N 30 119.268 119.268 118.326 0.942 17805 8577 1 20 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.020 -0.088 17805 8578 1 20 . 1 1 30 30 GLN C C 30 174.240 174.240 178.351 -4.111 17805 8579 1 20 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.502 1.161 17805 8580 1 20 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.004 -0.198 17805 8581 1 20 . 1 1 30 30 GLN H H 30 9.049 9.049 7.821 1.228 17805 8582 1 20 . 1 1 31 31 PHE N N 31 121.690 121.690 120.874 0.816 17805 8583 1 20 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.193 0.025 17805 8584 1 20 . 1 1 31 31 PHE C C 31 173.970 173.970 177.529 -3.559 17805 8585 1 20 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.118 0.849 17805 8586 1 20 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.322 0.052 17805 8587 1 20 . 1 1 31 31 PHE H H 31 8.039 8.039 7.768 0.271 17805 8588 1 20 . 1 1 32 32 LEU N N 32 118.232 118.232 117.104 1.128 17805 8589 1 20 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.978 -0.341 17805 8590 1 20 . 1 1 32 32 LEU C C 32 172.367 172.367 178.188 -5.821 17805 8591 1 20 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.800 -0.092 17805 8592 1 20 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.834 0.436 17805 8593 1 20 . 1 1 32 32 LEU H H 32 8.776 8.776 8.188 0.588 17805 8594 1 20 . 1 1 33 33 LYS N N 33 125.920 125.920 120.094 5.826 17805 8595 1 20 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.025 -0.223 17805 8596 1 20 . 1 1 33 33 LYS C C 33 173.820 173.820 178.658 -4.838 17805 8597 1 20 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.788 1.328 17805 8598 1 20 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.171 0.530 17805 8599 1 20 . 1 1 33 33 LYS H H 33 8.237 8.237 8.490 -0.253 17805 8600 1 20 . 1 1 34 34 THR N N 34 114.544 114.544 113.348 1.196 17805 8601 1 20 . 1 1 34 34 THR HA H 34 3.773 3.773 4.063 -0.290 17805 8602 1 20 . 1 1 34 34 THR C C 34 177.649 177.649 175.651 1.998 17805 8603 1 20 . 1 1 34 34 THR CA C 34 65.749 65.749 64.653 1.096 17805 8604 1 20 . 1 1 34 34 THR CB C 34 68.620 68.620 68.650 -0.030 17805 8605 1 20 . 1 1 34 34 THR H H 34 7.281 7.281 7.499 -0.218 17805 8606 1 20 . 1 1 35 35 LEU N N 35 117.590 117.590 119.312 -1.722 17805 8607 1 20 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.171 -0.153 17805 8608 1 20 . 1 1 35 35 LEU C C 35 175.105 175.105 177.921 -2.816 17805 8609 1 20 . 1 1 35 35 LEU CA C 35 57.015 57.015 56.097 0.918 17805 8610 1 20 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.327 1.676 17805 8611 1 20 . 1 1 35 35 LEU H H 35 6.752 6.752 7.440 -0.688 17805 8612 1 20 . 1 1 36 36 THR N N 36 104.865 104.865 108.181 -3.316 17805 8613 1 20 . 1 1 36 36 THR HA H 36 3.967 3.967 4.419 -0.452 17805 8614 1 20 . 1 1 36 36 THR C C 36 178.094 178.094 176.122 1.972 17805 8615 1 20 . 1 1 36 36 THR CA C 36 62.756 62.756 62.497 0.259 17805 8616 1 20 . 1 1 36 36 THR CB C 36 72.343 72.343 71.168 1.175 17805 8617 1 20 . 1 1 36 36 THR H H 36 7.675 7.675 8.029 -0.354 17805 8618 1 20 . 1 1 37 37 GLY N N 37 109.795 109.795 110.781 -0.986 17805 8619 1 20 . 1 1 37 37 GLY C C 37 179.368 179.368 173.633 5.735 17805 8620 1 20 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.848 -0.289 17805 8621 1 20 . 1 1 37 37 GLY H H 37 7.971 7.971 8.447 -0.476 17805 8622 1 20 . 1 1 38 38 VAL N N 38 122.557 122.557 122.873 -0.316 17805 8623 1 20 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.199 -0.561 17805 8624 1 20 . 1 1 38 38 VAL C C 38 177.289 177.289 174.722 2.567 17805 8625 1 20 . 1 1 38 38 VAL CA C 38 62.437 62.437 61.504 0.933 17805 8626 1 20 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.222 -0.832 17805 8627 1 20 . 1 1 38 38 VAL H H 38 7.533 7.533 6.968 0.565 17805 8628 1 20 . 1 1 39 39 LEU N N 39 127.828 127.828 121.129 6.699 17805 8629 1 20 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.841 -0.847 17805 8630 1 20 . 1 1 39 39 LEU CA C 39 54.437 54.437 51.022 3.415 17805 8631 1 20 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.460 0.097 17805 8632 1 20 . 1 1 39 39 LEU H H 39 8.634 8.634 8.341 0.293 17805 8633 1 20 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.522 -0.683 17805 8634 1 20 . 1 1 40 40 PRO C C 40 174.857 174.857 177.368 -2.511 17805 8635 1 20 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.715 2.274 17805 8636 1 20 . 1 1 40 40 PRO CB C 40 32.322 32.322 32.036 0.286 17805 8637 1 20 . 1 1 41 41 GLU N N 41 114.752 114.752 116.045 -1.293 17805 8638 1 20 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.144 -0.073 17805 8639 1 20 . 1 1 41 41 GLU C C 41 176.350 176.350 177.725 -1.375 17805 8640 1 20 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.913 1.025 17805 8641 1 20 . 1 1 41 41 GLU CB C 41 28.824 28.824 28.721 0.103 17805 8642 1 20 . 1 1 41 41 GLU H H 41 9.746 9.746 8.623 1.123 17805 8643 1 20 . 1 1 42 42 ARG N N 42 118.145 118.145 117.386 0.759 17805 8644 1 20 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.449 -0.134 17805 8645 1 20 . 1 1 42 42 ARG C C 42 177.731 177.731 176.277 1.454 17805 8646 1 20 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.727 -1.279 17805 8647 1 20 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.957 -0.852 17805 8648 1 20 . 1 1 42 42 ARG H H 42 7.938 7.938 7.464 0.474 17805 8649 1 20 . 1 1 43 43 GLN N N 43 118.250 118.250 116.362 1.888 17805 8650 1 20 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.565 -0.314 17805 8651 1 20 . 1 1 43 43 GLN C C 43 176.186 176.186 174.162 2.024 17805 8652 1 20 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.575 1.962 17805 8653 1 20 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.518 -1.526 17805 8654 1 20 . 1 1 43 43 GLN H H 43 7.034 7.034 7.502 -0.468 17805 8655 1 20 . 1 1 44 44 LYS N N 44 122.693 122.693 120.140 2.553 17805 8656 1 20 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.666 -0.202 17805 8657 1 20 . 1 1 44 44 LYS C C 44 178.040 178.040 175.011 3.029 17805 8658 1 20 . 1 1 44 44 LYS CA C 44 55.552 55.552 55.119 0.433 17805 8659 1 20 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.407 -0.082 17805 8660 1 20 . 1 1 44 44 LYS H H 44 8.806 8.806 8.138 0.668 17805 8661 1 20 . 1 1 45 45 LEU N N 45 124.806 124.806 125.611 -0.805 17805 8662 1 20 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.672 0.271 17805 8663 1 20 . 1 1 45 45 LEU C C 45 176.506 176.506 177.357 -0.851 17805 8664 1 20 . 1 1 45 45 LEU CA C 45 53.542 53.542 54.082 -0.540 17805 8665 1 20 . 1 1 45 45 LEU CB C 45 41.821 41.821 41.669 0.152 17805 8666 1 20 . 1 1 45 45 LEU H H 45 8.704 8.704 8.771 -0.067 17805 8667 1 20 . 1 1 46 46 LEU N N 46 124.709 124.709 123.670 1.039 17805 8668 1 20 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.055 0.303 17805 8669 1 20 . 1 1 46 46 LEU C C 46 175.289 175.289 177.230 -1.941 17805 8670 1 20 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.605 -0.846 17805 8671 1 20 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.363 0.163 17805 8672 1 20 . 1 1 46 46 LEU H H 46 8.751 8.751 7.992 0.759 17805 8673 1 20 . 1 1 47 47 GLY N N 47 109.276 109.276 112.708 -3.432 17805 8674 1 20 . 1 1 47 47 GLY C C 47 179.057 179.057 172.572 6.485 17805 8675 1 20 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.337 0.223 17805 8676 1 20 . 1 1 47 47 GLY H H 47 8.300 8.300 8.365 -0.065 17805 8677 1 20 . 1 1 48 48 LEU N N 48 119.707 119.707 121.583 -1.876 17805 8678 1 20 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.692 -0.102 17805 8679 1 20 . 1 1 48 48 LEU C C 48 177.598 177.598 175.280 2.318 17805 8680 1 20 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.793 0.152 17805 8681 1 20 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.597 -5.183 17805 8682 1 20 . 1 1 48 48 LEU H H 48 7.581 7.581 8.226 -0.645 17805 8683 1 20 . 1 1 49 49 LYS N N 49 124.527 124.527 121.727 2.800 17805 8684 1 20 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.693 0.159 17805 8685 1 20 . 1 1 49 49 LYS C C 49 178.059 178.059 175.699 2.360 17805 8686 1 20 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.928 0.735 17805 8687 1 20 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.220 4.361 17805 8688 1 20 . 1 1 49 49 LYS H H 49 8.606 8.606 8.242 0.364 17805 8689 1 20 . 1 1 50 50 VAL N N 50 119.184 119.184 123.702 -4.518 17805 8690 1 20 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.334 -0.221 17805 8691 1 20 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.637 1.228 17805 8692 1 20 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.235 0.499 17805 8693 1 20 . 1 1 50 50 VAL H H 50 8.799 8.799 8.487 0.312 17805 8694 1 20 . 1 1 51 51 LYS N N 51 127.069 127.069 128.276 -1.207 17805 8695 1 20 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.951 -0.127 17805 8696 1 20 . 1 1 51 51 LYS C C 51 176.418 176.418 176.171 0.247 17805 8697 1 20 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.045 0.362 17805 8698 1 20 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.063 0.592 17805 8699 1 20 . 1 1 51 51 LYS H H 51 9.451 9.451 9.299 0.152 17805 8700 1 20 . 1 1 52 52 GLY N N 52 102.671 102.671 103.288 -0.617 17805 8701 1 20 . 1 1 52 52 GLY C C 52 179.392 179.392 174.137 5.255 17805 8702 1 20 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.017 0.793 17805 8703 1 20 . 1 1 52 52 GLY H H 52 8.512 8.512 8.506 0.006 17805 8704 1 20 . 1 1 53 53 LYS N N 53 121.307 121.307 120.764 0.543 17805 8705 1 20 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.767 0.062 17805 8706 1 20 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.969 0.647 17805 8707 1 20 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.964 -0.024 17805 8708 1 20 . 1 1 53 53 LYS H H 53 7.781 7.781 7.891 -0.110 17805 8709 1 20 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.391 -0.015 17805 8710 1 20 . 1 1 54 54 PRO C C 54 175.954 175.954 176.001 -0.047 17805 8711 1 20 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.810 1.007 17805 8712 1 20 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.888 2.263 17805 8713 1 20 . 1 1 55 55 ALA N N 55 125.654 125.654 123.037 2.617 17805 8714 1 20 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.925 0.213 17805 8715 1 20 . 1 1 55 55 ALA C C 55 175.977 175.977 176.707 -0.730 17805 8716 1 20 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.599 0.065 17805 8717 1 20 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.268 1.776 17805 8718 1 20 . 1 1 55 55 ALA H H 55 8.114 8.114 8.188 -0.074 17805 8719 1 20 . 1 1 56 56 GLU N N 56 122.313 122.313 121.634 0.679 17805 8720 1 20 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.086 0.129 17805 8721 1 20 . 1 1 56 56 GLU C C 56 176.924 176.924 177.742 -0.818 17805 8722 1 20 . 1 1 56 56 GLU CA C 56 56.089 56.089 55.947 0.142 17805 8723 1 20 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.627 0.459 17805 8724 1 20 . 1 1 56 56 GLU H H 56 8.179 8.179 8.387 -0.208 17805 8725 1 20 . 1 1 57 57 ASN N N 57 115.140 115.140 121.182 -6.042 17805 8726 1 20 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.416 -0.187 17805 8727 1 20 . 1 1 57 57 ASN C C 57 177.457 177.457 176.907 0.550 17805 8728 1 20 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.133 -0.934 17805 8729 1 20 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.165 1.062 17805 8730 1 20 . 1 1 57 57 ASN H H 57 8.504 8.504 8.921 -0.417 17805 8731 1 20 . 1 1 58 58 ASP N N 58 112.832 112.832 116.437 -3.605 17805 8732 1 20 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.548 -0.060 17805 8733 1 20 . 1 1 58 58 ASP C C 58 177.255 177.255 176.486 0.769 17805 8734 1 20 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.016 -0.408 17805 8735 1 20 . 1 1 58 58 ASP CB C 58 40.304 40.304 41.096 -0.792 17805 8736 1 20 . 1 1 58 58 ASP H H 58 8.198 8.198 8.350 -0.152 17805 8737 1 20 . 1 1 59 59 VAL N N 59 122.073 122.073 120.607 1.466 17805 8738 1 20 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.039 -0.446 17805 8739 1 20 . 1 1 59 59 VAL C C 59 177.321 177.321 175.085 2.236 17805 8740 1 20 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.428 1.412 17805 8741 1 20 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.781 -0.459 17805 8742 1 20 . 1 1 59 59 VAL H H 59 7.353 7.353 7.795 -0.442 17805 8743 1 20 . 1 1 60 60 LYS N N 60 125.064 125.064 125.758 -0.694 17805 8744 1 20 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.190 0.257 17805 8745 1 20 . 1 1 60 60 LYS C C 60 174.649 174.649 177.268 -2.619 17805 8746 1 20 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.673 -0.488 17805 8747 1 20 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.961 0.144 17805 8748 1 20 . 1 1 60 60 LYS H H 60 8.339 8.339 8.314 0.025 17805 8749 1 20 . 1 1 61 61 LEU N N 61 121.612 121.612 121.582 0.030 17805 8750 1 20 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.211 -0.435 17805 8751 1 20 . 1 1 61 61 LEU C C 61 171.906 171.906 179.035 -7.129 17805 8752 1 20 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.079 0.908 17805 8753 1 20 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.928 -0.096 17805 8754 1 20 . 1 1 61 61 LEU H H 61 9.423 9.423 8.526 0.897 17805 8755 1 20 . 1 1 62 62 GLY N N 62 104.008 104.008 105.023 -1.015 17805 8756 1 20 . 1 1 62 62 GLY C C 62 177.869 177.869 175.046 2.823 17805 8757 1 20 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.824 -0.052 17805 8758 1 20 . 1 1 62 62 GLY H H 62 9.107 9.107 7.613 1.494 17805 8759 1 20 . 1 1 63 63 ALA N N 63 122.025 122.025 123.289 -1.264 17805 8760 1 20 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.215 0.058 17805 8761 1 20 . 1 1 63 63 ALA C C 63 174.499 174.499 178.301 -3.802 17805 8762 1 20 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.297 -0.876 17805 8763 1 20 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.801 0.015 17805 8764 1 20 . 1 1 63 63 ALA H H 63 7.755 7.755 8.023 -0.268 17805 8765 1 20 . 1 1 64 64 LEU N N 64 115.454 115.454 113.829 1.625 17805 8766 1 20 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.533 -0.465 17805 8767 1 20 . 1 1 64 64 LEU C C 64 177.197 177.197 177.714 -0.517 17805 8768 1 20 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.430 0.137 17805 8769 1 20 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.272 -0.136 17805 8770 1 20 . 1 1 64 64 LEU H H 64 7.214 7.214 7.508 -0.294 17805 8771 1 20 . 1 1 65 65 LYS N N 65 114.830 114.830 118.583 -3.753 17805 8772 1 20 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.092 -0.254 17805 8773 1 20 . 1 1 65 65 LYS C C 65 177.061 177.061 177.028 0.033 17805 8774 1 20 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.598 -1.861 17805 8775 1 20 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.003 -3.696 17805 8776 1 20 . 1 1 65 65 LYS H H 65 7.642 7.642 7.946 -0.304 17805 8777 1 20 . 1 1 66 66 LEU N N 66 119.305 119.305 111.314 7.991 17805 8778 1 20 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.561 -0.398 17805 8779 1 20 . 1 1 66 66 LEU C C 66 175.393 175.393 175.808 -0.415 17805 8780 1 20 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.499 0.348 17805 8781 1 20 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.617 0.095 17805 8782 1 20 . 1 1 66 66 LEU H H 66 8.516 8.516 7.498 1.018 17805 8783 1 20 . 1 1 67 67 LYS N N 67 121.480 121.480 120.542 0.938 17805 8784 1 20 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.568 -0.071 17805 8785 1 20 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.111 -1.959 17805 8786 1 20 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.614 0.385 17805 8787 1 20 . 1 1 67 67 LYS H H 67 7.955 7.955 8.392 -0.437 17805 8788 1 20 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.283 -0.114 17805 8789 1 20 . 1 1 68 68 PRO C C 68 176.609 176.609 177.746 -1.137 17805 8790 1 20 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.450 -1.060 17805 8791 1 20 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.105 0.109 17805 8792 1 20 . 1 1 69 69 ASN N N 69 115.414 115.414 114.936 0.478 17805 8793 1 20 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.418 -0.456 17805 8794 1 20 . 1 1 69 69 ASN C C 69 178.824 178.824 175.091 3.733 17805 8795 1 20 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.804 0.217 17805 8796 1 20 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.616 -0.569 17805 8797 1 20 . 1 1 69 69 ASN H H 69 8.966 8.966 8.504 0.462 17805 8798 1 20 . 1 1 70 70 THR N N 70 115.426 115.426 115.576 -0.150 17805 8799 1 20 . 1 1 70 70 THR HA H 70 3.949 3.949 4.375 -0.426 17805 8800 1 20 . 1 1 70 70 THR C C 70 180.592 180.592 174.348 6.244 17805 8801 1 20 . 1 1 70 70 THR CA C 70 65.247 65.247 63.050 2.197 17805 8802 1 20 . 1 1 70 70 THR CB C 70 70.132 70.132 69.880 0.252 17805 8803 1 20 . 1 1 70 70 THR H H 70 7.712 7.712 7.628 0.084 17805 8804 1 20 . 1 1 71 71 LYS N N 71 124.603 124.603 122.880 1.723 17805 8805 1 20 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.986 0.193 17805 8806 1 20 . 1 1 71 71 LYS C C 71 177.157 177.157 175.683 1.474 17805 8807 1 20 . 1 1 71 71 LYS CA C 71 55.340 55.340 54.937 0.403 17805 8808 1 20 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.119 -0.390 17805 8809 1 20 . 1 1 71 71 LYS H H 71 8.284 8.284 8.234 0.050 17805 8810 1 20 . 1 1 72 72 ILE N N 72 123.505 123.505 119.749 3.756 17805 8811 1 20 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.547 -0.036 17805 8812 1 20 . 1 1 72 72 ILE C C 72 178.360 178.360 174.732 3.628 17805 8813 1 20 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.573 0.063 17805 8814 1 20 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.919 -0.092 17805 8815 1 20 . 1 1 72 72 ILE H H 72 9.142 9.142 8.923 0.219 17805 8816 1 20 . 1 1 73 73 MET N N 73 123.090 123.090 121.258 1.832 17805 8817 1 20 . 1 1 73 73 MET HA H 73 5.122 5.122 4.898 0.224 17805 8818 1 20 . 1 1 73 73 MET C C 73 179.095 179.095 175.304 3.791 17805 8819 1 20 . 1 1 73 73 MET CA C 73 54.949 54.949 54.959 -0.010 17805 8820 1 20 . 1 1 73 73 MET CB C 73 35.143 35.143 35.400 -0.257 17805 8821 1 20 . 1 1 73 73 MET H H 73 8.556 8.556 8.649 -0.093 17805 8822 1 20 . 1 1 74 74 MET N N 74 124.481 124.481 122.102 2.379 17805 8823 1 20 . 1 1 74 74 MET HA H 74 5.288 5.288 4.827 0.461 17805 8824 1 20 . 1 1 74 74 MET C C 74 178.476 178.476 174.958 3.518 17805 8825 1 20 . 1 1 74 74 MET CA C 74 54.862 54.862 55.129 -0.267 17805 8826 1 20 . 1 1 74 74 MET CB C 74 36.294 36.294 34.476 1.818 17805 8827 1 20 . 1 1 74 74 MET H H 74 8.924 8.924 8.966 -0.042 17805 8828 1 20 . 1 1 75 75 MET N N 75 123.963 123.963 124.660 -0.697 17805 8829 1 20 . 1 1 75 75 MET HA H 75 5.093 5.093 4.995 0.098 17805 8830 1 20 . 1 1 75 75 MET C C 75 177.842 177.842 174.699 3.143 17805 8831 1 20 . 1 1 75 75 MET CA C 75 54.265 54.265 54.621 -0.356 17805 8832 1 20 . 1 1 75 75 MET CB C 75 35.566 35.566 32.629 2.937 17805 8833 1 20 . 1 1 75 75 MET H H 75 9.112 9.112 8.625 0.487 17805 8834 1 20 . 1 1 76 76 GLY N N 76 109.773 109.773 111.626 -1.853 17805 8835 1 20 . 1 1 76 76 GLY C C 76 180.165 180.165 172.735 7.430 17805 8836 1 20 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.404 0.497 17805 8837 1 20 . 1 1 76 76 GLY H H 76 8.711 8.711 8.755 -0.044 17805 8838 1 20 . 1 1 77 77 THR N N 77 113.345 113.345 113.144 0.201 17805 8839 1 20 . 1 1 77 77 THR HA H 77 4.787 4.787 4.761 0.026 17805 8840 1 20 . 1 1 77 77 THR C C 77 178.955 178.955 173.838 5.117 17805 8841 1 20 . 1 1 77 77 THR CA C 77 60.728 60.728 60.011 0.717 17805 8842 1 20 . 1 1 77 77 THR CB C 77 71.481 71.481 71.633 -0.152 17805 8843 1 20 . 1 1 77 77 THR H H 77 8.280 8.280 8.113 0.167 17805 8844 1 20 . 1 1 78 78 ARG N N 78 122.844 122.844 123.725 -0.881 17805 8845 1 20 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.221 -0.073 17805 8846 1 20 . 1 1 78 78 ARG C C 78 177.011 177.011 175.272 1.739 17805 8847 1 20 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.123 0.758 17805 8848 1 20 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.251 0.356 17805 8849 1 20 . 1 1 78 78 ARG H H 78 8.852 8.852 8.550 0.302 17805 8850 1 20 . 1 1 79 79 GLU N N 79 122.181 122.181 120.476 1.705 17805 8851 1 20 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.573 -0.367 17805 8852 1 20 . 1 1 79 79 GLU C C 79 176.784 176.784 174.951 1.833 17805 8853 1 20 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.859 1.148 17805 8854 1 20 . 1 1 79 79 GLU CB C 79 30.764 30.764 33.123 -2.359 17805 8855 1 20 . 1 1 79 79 GLU H H 79 8.300 8.300 8.433 -0.133 17805 8856 1 20 . 1 1 80 80 GLU N N 80 126.965 126.965 122.494 4.471 17805 8857 1 20 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.485 -0.436 17805 8858 1 20 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.977 2.352 17805 8859 1 20 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.147 1.140 17805 8860 1 20 . 1 1 80 80 GLU H H 80 8.015 8.015 8.581 -0.566 17805 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 75 2.897 -0.360 2.894 17805 2 1 1 "Average Difference" HA 86 0.321 0.061 0.317 17805 3 1 1 "Average Difference" C 70 3.416 -1.151 3.240 17805 4 1 1 "Average Difference" CA 79 1.124 -0.453 1.035 17805 5 1 1 "Average Difference" CB 72 1.429 -0.248 1.417 17805 6 1 1 "Average Difference" HN 75 0.585 -0.136 0.572 17805 7 1 2 "Average Difference" N 75 2.856 -0.231 2.866 17805 8 1 2 "Average Difference" HA 86 0.327 0.061 0.324 17805 9 1 2 "Average Difference" C 70 3.409 -1.119 3.243 17805 10 1 2 "Average Difference" CA 79 1.105 -0.438 1.021 17805 11 1 2 "Average Difference" CB 72 1.405 -0.299 1.382 17805 12 1 2 "Average Difference" HN 75 0.565 -0.130 0.554 17805 13 1 3 "Average Difference" N 75 3.014 -0.357 3.013 17805 14 1 3 "Average Difference" HA 86 0.325 0.064 0.321 17805 15 1 3 "Average Difference" C 70 3.387 -1.113 3.222 17805 16 1 3 "Average Difference" CA 79 1.108 -0.429 1.028 17805 17 1 3 "Average Difference" CB 72 1.438 -0.225 1.430 17805 18 1 3 "Average Difference" HN 75 0.604 -0.111 0.598 17805 19 1 4 "Average Difference" N 75 2.878 -0.315 2.880 17805 20 1 4 "Average Difference" HA 86 0.330 0.065 0.326 17805 21 1 4 "Average Difference" C 70 3.443 -1.202 3.249 17805 22 1 4 "Average Difference" CA 79 1.126 -0.507 1.012 17805 23 1 4 "Average Difference" CB 72 1.433 -0.188 1.431 17805 24 1 4 "Average Difference" HN 75 0.582 -0.141 0.569 17805 25 1 5 "Average Difference" N 75 2.939 -0.451 2.924 17805 26 1 5 "Average Difference" HA 86 0.335 0.056 0.332 17805 27 1 5 "Average Difference" C 70 3.412 -1.122 3.246 17805 28 1 5 "Average Difference" CA 79 1.133 -0.384 1.073 17805 29 1 5 "Average Difference" CB 72 1.374 -0.210 1.368 17805 30 1 5 "Average Difference" HN 75 0.582 -0.115 0.574 17805 31 1 6 "Average Difference" N 75 2.951 -0.491 2.930 17805 32 1 6 "Average Difference" HA 86 0.335 0.068 0.330 17805 33 1 6 "Average Difference" C 70 3.426 -1.172 3.242 17805 34 1 6 "Average Difference" CA 79 1.110 -0.418 1.035 17805 35 1 6 "Average Difference" CB 72 1.458 -0.221 1.451 17805 36 1 6 "Average Difference" HN 75 0.586 -0.138 0.574 17805 37 1 7 "Average Difference" N 75 2.871 -0.351 2.868 17805 38 1 7 "Average Difference" HA 86 0.318 0.060 0.314 17805 39 1 7 "Average Difference" C 70 3.439 -1.143 3.268 17805 40 1 7 "Average Difference" CA 79 1.129 -0.411 1.058 17805 41 1 7 "Average Difference" CB 72 1.477 -0.270 1.462 17805 42 1 7 "Average Difference" HN 75 0.583 -0.131 0.572 17805 43 1 8 "Average Difference" N 75 2.962 -0.445 2.948 17805 44 1 8 "Average Difference" HA 86 0.324 0.069 0.318 17805 45 1 8 "Average Difference" C 70 3.363 -1.110 3.198 17805 46 1 8 "Average Difference" CA 79 1.105 -0.426 1.026 17805 47 1 8 "Average Difference" CB 72 1.473 -0.240 1.464 17805 48 1 8 "Average Difference" HN 75 0.596 -0.118 0.588 17805 49 1 9 "Average Difference" N 75 2.800 -0.294 2.803 17805 50 1 9 "Average Difference" HA 86 0.329 0.057 0.326 17805 51 1 9 "Average Difference" C 70 3.401 -1.116 3.236 17805 52 1 9 "Average Difference" CA 79 1.169 -0.492 1.068 17805 53 1 9 "Average Difference" CB 72 1.444 -0.261 1.430 17805 54 1 9 "Average Difference" HN 75 0.581 -0.140 0.568 17805 55 1 10 "Average Difference" N 75 2.778 -0.331 2.777 17805 56 1 10 "Average Difference" HA 86 0.329 0.064 0.324 17805 57 1 10 "Average Difference" C 70 3.439 -1.177 3.255 17805 58 1 10 "Average Difference" CA 79 1.133 -0.460 1.042 17805 59 1 10 "Average Difference" CB 72 1.474 -0.244 1.464 17805 60 1 10 "Average Difference" HN 75 0.584 -0.137 0.572 17805 61 1 11 "Average Difference" N 75 2.988 -0.277 2.995 17805 62 1 11 "Average Difference" HA 86 0.324 0.062 0.319 17805 63 1 11 "Average Difference" C 70 3.425 -1.133 3.256 17805 64 1 11 "Average Difference" CA 79 1.144 -0.455 1.057 17805 65 1 11 "Average Difference" CB 72 1.434 -0.258 1.420 17805 66 1 11 "Average Difference" HN 75 0.597 -0.141 0.584 17805 67 1 12 "Average Difference" N 75 2.899 -0.308 2.902 17805 68 1 12 "Average Difference" HA 86 0.314 0.058 0.310 17805 69 1 12 "Average Difference" C 70 3.458 -1.174 3.276 17805 70 1 12 "Average Difference" CA 79 1.127 -0.466 1.032 17805 71 1 12 "Average Difference" CB 72 1.423 -0.196 1.420 17805 72 1 12 "Average Difference" HN 75 0.597 -0.144 0.583 17805 73 1 13 "Average Difference" N 75 2.909 -0.390 2.902 17805 74 1 13 "Average Difference" HA 86 0.334 0.073 0.328 17805 75 1 13 "Average Difference" C 70 3.450 -1.180 3.265 17805 76 1 13 "Average Difference" CA 79 1.160 -0.485 1.060 17805 77 1 13 "Average Difference" CB 72 1.441 -0.197 1.437 17805 78 1 13 "Average Difference" HN 75 0.569 -0.125 0.558 17805 79 1 14 "Average Difference" N 75 2.893 -0.451 2.877 17805 80 1 14 "Average Difference" HA 86 0.332 0.057 0.329 17805 81 1 14 "Average Difference" C 70 3.409 -1.138 3.237 17805 82 1 14 "Average Difference" CA 79 1.111 -0.429 1.031 17805 83 1 14 "Average Difference" CB 72 1.358 -0.212 1.351 17805 84 1 14 "Average Difference" HN 75 0.578 -0.132 0.567 17805 85 1 15 "Average Difference" N 75 2.893 -0.339 2.892 17805 86 1 15 "Average Difference" HA 86 0.331 0.063 0.327 17805 87 1 15 "Average Difference" C 70 3.466 -1.190 3.279 17805 88 1 15 "Average Difference" CA 79 1.161 -0.422 1.089 17805 89 1 15 "Average Difference" CB 72 1.400 -0.207 1.394 17805 90 1 15 "Average Difference" HN 75 0.602 -0.149 0.587 17805 91 1 16 "Average Difference" N 75 2.836 -0.339 2.835 17805 92 1 16 "Average Difference" HA 86 0.331 0.071 0.325 17805 93 1 16 "Average Difference" C 70 3.463 -1.170 3.283 17805 94 1 16 "Average Difference" CA 79 1.166 -0.448 1.084 17805 95 1 16 "Average Difference" CB 72 1.412 -0.243 1.401 17805 96 1 16 "Average Difference" HN 75 0.555 -0.120 0.545 17805 97 1 17 "Average Difference" N 75 2.969 -0.397 2.962 17805 98 1 17 "Average Difference" HA 86 0.329 0.063 0.325 17805 99 1 17 "Average Difference" C 70 3.425 -1.158 3.246 17805 100 1 17 "Average Difference" CA 79 1.148 -0.466 1.056 17805 101 1 17 "Average Difference" CB 72 1.407 -0.161 1.408 17805 102 1 17 "Average Difference" HN 75 0.590 -0.114 0.583 17805 103 1 18 "Average Difference" N 75 2.752 -0.289 2.756 17805 104 1 18 "Average Difference" HA 86 0.332 0.054 0.330 17805 105 1 18 "Average Difference" C 70 3.430 -1.133 3.261 17805 106 1 18 "Average Difference" CA 79 1.104 -0.430 1.023 17805 107 1 18 "Average Difference" CB 72 1.374 -0.273 1.356 17805 108 1 18 "Average Difference" HN 75 0.571 -0.128 0.560 17805 109 1 19 "Average Difference" N 75 2.852 -0.398 2.843 17805 110 1 19 "Average Difference" HA 86 0.319 0.064 0.314 17805 111 1 19 "Average Difference" C 70 3.418 -1.127 3.250 17805 112 1 19 "Average Difference" CA 79 1.101 -0.471 1.002 17805 113 1 19 "Average Difference" CB 72 1.416 -0.199 1.412 17805 114 1 19 "Average Difference" HN 75 0.595 -0.140 0.582 17805 115 1 20 "Average Difference" N 75 2.844 -0.338 2.843 17805 116 1 20 "Average Difference" HA 86 0.315 0.065 0.310 17805 117 1 20 "Average Difference" C 70 3.424 -1.150 3.249 17805 118 1 20 "Average Difference" CA 79 1.063 -0.420 0.982 17805 119 1 20 "Average Difference" CB 72 1.479 -0.149 1.482 17805 120 1 20 "Average Difference" HN 75 0.588 -0.119 0.579 17805 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 17805 _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 ALA N N 2 126.014 126.014 125.024 0.990 17805 2 1 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.531 -0.498 17805 3 1 . 1 1 2 2 ALA C C 2 176.202 176.202 176.256 -0.054 17805 4 1 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.416 1.799 17805 5 1 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.726 -0.350 17805 6 1 . 1 1 2 2 ALA H H 2 8.410 8.410 8.404 0.006 17805 7 1 . 1 1 3 3 LEU N N 3 123.255 123.255 124.254 -0.999 17805 8 1 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.671 -0.025 17805 9 1 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.916 -0.099 17805 10 1 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.981 0.576 17805 11 1 . 1 1 3 3 LEU H H 3 8.271 8.271 8.376 -0.105 17805 12 1 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.747 -0.141 17805 13 1 . 1 1 4 4 PRO C C 4 179.796 179.796 175.640 4.156 17805 14 1 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.265 0.975 17805 15 1 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.861 -0.791 17805 16 1 . 1 1 5 5 ILE N N 5 122.161 122.161 118.069 4.092 17805 17 1 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.747 -0.388 17805 18 1 . 1 1 5 5 ILE C C 5 179.202 179.202 175.529 3.673 17805 19 1 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.002 0.831 17805 20 1 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.382 1.561 17805 21 1 . 1 1 5 5 ILE H H 5 8.317 8.317 7.797 0.520 17805 22 1 . 1 1 6 6 ILE N N 6 125.649 125.649 127.781 -2.132 17805 23 1 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.542 0.379 17805 24 1 . 1 1 6 6 ILE C C 6 178.393 178.393 174.757 3.636 17805 25 1 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.999 -1.134 17805 26 1 . 1 1 6 6 ILE CB C 6 40.264 40.264 39.728 0.536 17805 27 1 . 1 1 6 6 ILE H H 6 8.408 8.408 8.198 0.210 17805 28 1 . 1 1 7 7 VAL N N 7 125.741 125.741 127.089 -1.348 17805 29 1 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.809 0.121 17805 30 1 . 1 1 7 7 VAL C C 7 178.215 178.215 174.281 3.934 17805 31 1 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.244 0.119 17805 32 1 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.531 -0.772 17805 33 1 . 1 1 7 7 VAL H H 7 9.155 9.155 8.993 0.162 17805 34 1 . 1 1 8 8 LYS N N 8 128.098 128.098 127.476 0.622 17805 35 1 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.400 -0.168 17805 36 1 . 1 1 8 8 LYS C C 8 178.353 178.353 174.402 3.951 17805 37 1 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.900 0.375 17805 38 1 . 1 1 8 8 LYS CB C 8 34.935 34.935 35.435 -0.500 17805 39 1 . 1 1 8 8 LYS H H 8 9.174 9.174 8.898 0.276 17805 40 1 . 1 1 9 9 TRP N N 9 125.952 125.952 128.027 -2.075 17805 41 1 . 1 1 9 9 TRP HA H 9 5.185 5.185 5.077 0.108 17805 42 1 . 1 1 9 9 TRP C C 9 176.432 176.432 175.808 0.625 17805 43 1 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.613 1.121 17805 44 1 . 1 1 9 9 TRP CB C 9 31.561 31.561 32.990 -1.429 17805 45 1 . 1 1 9 9 TRP H H 9 8.844 8.844 8.717 0.127 17805 46 1 . 1 1 10 10 GLY N N 10 117.044 117.044 115.906 1.138 17805 47 1 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.330 1.771 17805 48 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.682 0.001 17805 49 1 . 1 1 11 11 GLY N N 11 109.364 109.364 105.622 3.742 17805 50 1 . 1 1 11 11 GLY C C 11 179.353 179.353 174.614 4.739 17805 51 1 . 1 1 11 11 GLY CA C 11 45.460 45.460 44.834 0.626 17805 52 1 . 1 1 11 11 GLY H H 11 8.600 8.600 8.280 0.320 17805 53 1 . 1 1 12 12 GLN N N 12 119.388 119.388 120.317 -0.929 17805 54 1 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.294 0.189 17805 55 1 . 1 1 12 12 GLN C C 12 179.098 179.098 174.896 4.202 17805 56 1 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.811 -0.309 17805 57 1 . 1 1 12 12 GLN CB C 12 32.178 32.178 29.920 2.258 17805 58 1 . 1 1 12 12 GLN H H 12 7.865 7.865 7.930 -0.065 17805 59 1 . 1 1 13 13 GLU N N 13 119.756 119.756 120.272 -0.516 17805 60 1 . 1 1 13 13 GLU HA H 13 4.880 4.880 5.222 -0.342 17805 61 1 . 1 1 13 13 GLU C C 13 177.641 177.641 175.337 2.304 17805 62 1 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.072 0.583 17805 63 1 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.453 -0.147 17805 64 1 . 1 1 13 13 GLU H H 13 8.172 8.172 8.121 0.051 17805 65 1 . 1 1 14 14 TYR N N 14 122.812 122.812 124.342 -1.530 17805 66 1 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.848 -0.247 17805 67 1 . 1 1 14 14 TYR C C 14 177.990 177.990 174.835 3.155 17805 68 1 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.796 0.450 17805 69 1 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.090 -0.546 17805 70 1 . 1 1 14 14 TYR H H 14 9.381 9.381 8.928 0.453 17805 71 1 . 1 1 15 15 SER N N 15 118.339 118.339 118.497 -0.158 17805 72 1 . 1 1 15 15 SER HA H 15 4.747 4.747 5.340 -0.593 17805 73 1 . 1 1 15 15 SER C C 15 178.924 178.924 173.773 5.151 17805 74 1 . 1 1 15 15 SER CA C 15 58.099 58.099 57.088 1.011 17805 75 1 . 1 1 15 15 SER CB C 15 63.394 63.394 64.870 -1.476 17805 76 1 . 1 1 15 15 SER H H 15 8.802 8.802 8.658 0.144 17805 77 1 . 1 1 16 16 VAL N N 16 128.611 128.611 121.590 7.021 17805 78 1 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.410 -0.205 17805 79 1 . 1 1 16 16 VAL CA C 16 62.344 62.344 60.602 1.743 17805 80 1 . 1 1 16 16 VAL CB C 16 32.528 32.528 34.385 -1.857 17805 81 1 . 1 1 16 16 VAL H H 16 9.005 9.005 8.594 0.411 17805 82 1 . 1 1 17 17 THR N N 17 116.170 116.170 114.975 1.195 17805 83 1 . 1 1 17 17 THR HA H 17 4.533 4.533 4.494 0.039 17805 84 1 . 1 1 17 17 THR C C 17 177.649 177.649 173.887 3.762 17805 85 1 . 1 1 17 17 THR CA C 17 62.331 62.331 62.264 0.067 17805 86 1 . 1 1 17 17 THR CB C 17 70.040 70.040 68.762 1.278 17805 87 1 . 1 1 17 17 THR H H 17 8.746 8.746 8.304 0.442 17805 88 1 . 1 1 18 18 THR N N 18 107.517 107.517 114.204 -6.687 17805 89 1 . 1 1 18 18 THR HA H 18 4.173 4.173 4.275 -0.102 17805 90 1 . 1 1 18 18 THR C C 18 178.498 178.498 173.501 4.997 17805 91 1 . 1 1 18 18 THR CA C 18 61.772 61.772 62.479 -0.707 17805 92 1 . 1 1 18 18 THR CB C 18 69.121 69.121 69.047 0.074 17805 93 1 . 1 1 18 18 THR H H 18 6.812 6.812 8.010 -1.198 17805 94 1 . 1 1 19 19 LEU N N 19 123.019 123.019 116.992 6.027 17805 95 1 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.762 -0.179 17805 96 1 . 1 1 19 19 LEU C C 19 177.299 177.299 174.631 2.668 17805 97 1 . 1 1 19 19 LEU CA C 19 54.180 54.180 52.635 1.545 17805 98 1 . 1 1 19 19 LEU CB C 19 42.711 42.711 44.880 -2.169 17805 99 1 . 1 1 19 19 LEU H H 19 8.388 8.388 7.224 1.164 17805 100 1 . 1 1 20 20 SER N N 20 117.870 117.870 113.153 4.717 17805 101 1 . 1 1 20 20 SER HA H 20 4.863 4.863 5.107 -0.244 17805 102 1 . 1 1 20 20 SER C C 20 177.249 177.249 175.696 1.553 17805 103 1 . 1 1 20 20 SER CA C 20 56.832 56.832 56.214 0.618 17805 104 1 . 1 1 20 20 SER CB C 20 67.845 67.845 66.454 1.391 17805 105 1 . 1 1 20 20 SER H H 20 9.714 9.714 8.223 1.491 17805 106 1 . 1 1 21 21 GLU N N 21 116.130 116.130 122.045 -5.915 17805 107 1 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.934 -0.194 17805 108 1 . 1 1 21 21 GLU C C 21 176.555 176.555 176.582 -0.027 17805 109 1 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.417 -0.283 17805 110 1 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.131 1.723 17805 111 1 . 1 1 21 21 GLU H H 21 8.491 8.491 8.977 -0.486 17805 112 1 . 1 1 22 22 ASP N N 22 115.741 115.741 116.202 -0.461 17805 113 1 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.534 0.116 17805 114 1 . 1 1 22 22 ASP C C 22 176.555 176.555 176.475 0.080 17805 115 1 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.006 0.150 17805 116 1 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.260 2.319 17805 117 1 . 1 1 22 22 ASP H H 22 7.936 7.936 8.020 -0.084 17805 118 1 . 1 1 23 23 ASP N N 23 119.945 119.945 120.294 -0.349 17805 119 1 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.589 0.252 17805 120 1 . 1 1 23 23 ASP C C 23 178.264 178.264 175.776 2.488 17805 121 1 . 1 1 23 23 ASP CA C 23 55.223 55.223 56.229 -1.006 17805 122 1 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.549 0.233 17805 123 1 . 1 1 23 23 ASP H H 23 7.313 7.313 8.065 -0.752 17805 124 1 . 1 1 24 24 THR N N 24 107.918 107.918 106.482 1.436 17805 125 1 . 1 1 24 24 THR HA H 24 5.328 5.328 4.477 0.851 17805 126 1 . 1 1 24 24 THR C C 24 176.363 176.363 174.098 2.265 17805 127 1 . 1 1 24 24 THR CA C 24 60.989 60.989 61.563 -0.574 17805 128 1 . 1 1 24 24 THR CB C 24 74.287 74.287 70.922 3.365 17805 129 1 . 1 1 24 24 THR H H 24 9.630 9.630 7.510 2.120 17805 130 1 . 1 1 25 25 VAL N N 25 120.192 120.192 123.377 -3.185 17805 131 1 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.682 -0.348 17805 132 1 . 1 1 25 25 VAL C C 25 175.092 175.092 177.141 -2.049 17805 133 1 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.088 0.538 17805 134 1 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.909 0.240 17805 135 1 . 1 1 25 25 VAL H H 25 8.260 8.260 8.976 -0.716 17805 136 1 . 1 1 26 26 LEU N N 26 119.941 119.941 119.159 0.782 17805 137 1 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.055 -0.183 17805 138 1 . 1 1 26 26 LEU C C 26 174.996 174.996 178.466 -3.470 17805 139 1 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.156 0.436 17805 140 1 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.375 0.341 17805 141 1 . 1 1 26 26 LEU H H 26 8.523 8.523 8.201 0.322 17805 142 1 . 1 1 27 27 ASP N N 27 118.322 118.322 119.963 -1.641 17805 143 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.440 -0.167 17805 144 1 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.007 1.656 17805 145 1 . 1 1 27 27 ASP CB C 27 40.931 40.931 41.015 -0.084 17805 146 1 . 1 1 27 27 ASP H H 27 7.581 7.581 8.121 -0.540 17805 147 1 . 1 1 28 28 LEU N N 28 122.021 122.021 121.550 0.471 17805 148 1 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.169 -0.086 17805 149 1 . 1 1 28 28 LEU C C 28 175.514 175.514 178.615 -3.101 17805 150 1 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.875 0.897 17805 151 1 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.296 -1.071 17805 152 1 . 1 1 28 28 LEU H H 28 7.837 7.837 7.958 -0.121 17805 153 1 . 1 1 29 29 LYS N N 29 119.086 119.086 119.246 -0.160 17805 154 1 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.898 0.622 17805 155 1 . 1 1 29 29 LYS C C 29 172.261 172.261 178.750 -6.489 17805 156 1 . 1 1 29 29 LYS CA C 29 59.787 59.787 59.878 -0.091 17805 157 1 . 1 1 29 29 LYS CB C 29 34.297 34.297 31.847 2.450 17805 158 1 . 1 1 29 29 LYS H H 29 8.467 8.467 8.714 -0.247 17805 159 1 . 1 1 30 30 GLN N N 30 119.268 119.268 118.316 0.952 17805 160 1 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.025 -0.093 17805 161 1 . 1 1 30 30 GLN C C 30 174.240 174.240 178.401 -4.161 17805 162 1 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.522 1.141 17805 163 1 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.037 -0.231 17805 164 1 . 1 1 30 30 GLN H H 30 9.049 9.049 7.835 1.214 17805 165 1 . 1 1 31 31 PHE N N 31 121.690 121.690 120.806 0.884 17805 166 1 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.208 0.010 17805 167 1 . 1 1 31 31 PHE C C 31 173.970 173.970 177.549 -3.579 17805 168 1 . 1 1 31 31 PHE CA C 31 61.967 61.967 61.160 0.806 17805 169 1 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.401 -0.027 17805 170 1 . 1 1 31 31 PHE H H 31 8.039 8.039 7.772 0.267 17805 171 1 . 1 1 32 32 LEU N N 32 118.232 118.232 117.216 1.016 17805 172 1 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.009 -0.372 17805 173 1 . 1 1 32 32 LEU C C 32 172.367 172.367 178.274 -5.907 17805 174 1 . 1 1 32 32 LEU CA C 32 57.708 57.708 57.926 -0.218 17805 175 1 . 1 1 32 32 LEU CB C 32 41.270 41.270 40.897 0.373 17805 176 1 . 1 1 32 32 LEU H H 32 8.776 8.776 8.250 0.526 17805 177 1 . 1 1 33 33 LYS N N 33 125.920 125.920 119.825 6.095 17805 178 1 . 1 1 33 33 LYS HA H 33 3.802 3.802 4.084 -0.282 17805 179 1 . 1 1 33 33 LYS C C 33 173.820 173.820 178.689 -4.869 17805 180 1 . 1 1 33 33 LYS CA C 33 60.116 60.116 58.582 1.534 17805 181 1 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.229 0.472 17805 182 1 . 1 1 33 33 LYS H H 33 8.237 8.237 8.525 -0.288 17805 183 1 . 1 1 34 34 THR N N 34 114.544 114.544 113.709 0.835 17805 184 1 . 1 1 34 34 THR HA H 34 3.773 3.773 4.063 -0.290 17805 185 1 . 1 1 34 34 THR C C 34 177.649 177.649 175.546 2.103 17805 186 1 . 1 1 34 34 THR CA C 34 65.749 65.749 64.486 1.264 17805 187 1 . 1 1 34 34 THR CB C 34 68.620 68.620 68.545 0.075 17805 188 1 . 1 1 34 34 THR H H 34 7.281 7.281 7.469 -0.188 17805 189 1 . 1 1 35 35 LEU N N 35 117.590 117.590 118.497 -0.907 17805 190 1 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.255 -0.237 17805 191 1 . 1 1 35 35 LEU C C 35 175.105 175.105 177.394 -2.289 17805 192 1 . 1 1 35 35 LEU CA C 35 57.015 57.015 55.856 1.159 17805 193 1 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.390 1.613 17805 194 1 . 1 1 35 35 LEU H H 35 6.752 6.752 7.338 -0.586 17805 195 1 . 1 1 36 36 THR N N 36 104.865 104.865 107.625 -2.760 17805 196 1 . 1 1 36 36 THR HA H 36 3.967 3.967 4.377 -0.410 17805 197 1 . 1 1 36 36 THR C C 36 178.094 178.094 175.984 2.110 17805 198 1 . 1 1 36 36 THR CA C 36 62.756 62.756 62.640 0.116 17805 199 1 . 1 1 36 36 THR CB C 36 72.343 72.343 70.715 1.628 17805 200 1 . 1 1 36 36 THR H H 36 7.675 7.675 7.935 -0.260 17805 201 1 . 1 1 37 37 GLY N N 37 109.795 109.795 110.620 -0.825 17805 202 1 . 1 1 37 37 GLY C C 37 179.368 179.368 173.608 5.760 17805 203 1 . 1 1 37 37 GLY CA C 37 45.559 45.559 45.869 -0.310 17805 204 1 . 1 1 37 37 GLY H H 37 7.971 7.971 8.442 -0.471 17805 205 1 . 1 1 38 38 VAL N N 38 122.557 122.557 122.727 -0.170 17805 206 1 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.241 -0.603 17805 207 1 . 1 1 38 38 VAL C C 38 177.289 177.289 174.493 2.796 17805 208 1 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.922 1.515 17805 209 1 . 1 1 38 38 VAL CB C 38 31.390 31.390 32.731 -1.341 17805 210 1 . 1 1 38 38 VAL H H 38 7.533 7.533 7.156 0.377 17805 211 1 . 1 1 39 39 LEU N N 39 127.828 127.828 122.947 4.881 17805 212 1 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.879 -0.885 17805 213 1 . 1 1 39 39 LEU CA C 39 54.437 54.437 50.972 3.465 17805 214 1 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.344 0.213 17805 215 1 . 1 1 39 39 LEU H H 39 8.634 8.634 8.319 0.315 17805 216 1 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.566 -0.727 17805 217 1 . 1 1 40 40 PRO C C 40 174.857 174.857 177.393 -2.536 17805 218 1 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.693 2.296 17805 219 1 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.937 0.385 17805 220 1 . 1 1 41 41 GLU N N 41 114.752 114.752 116.061 -1.309 17805 221 1 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.112 -0.041 17805 222 1 . 1 1 41 41 GLU C C 41 176.350 176.350 177.582 -1.232 17805 223 1 . 1 1 41 41 GLU CA C 41 58.938 58.938 57.944 0.994 17805 224 1 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.025 -0.201 17805 225 1 . 1 1 41 41 GLU H H 41 9.746 9.746 8.621 1.125 17805 226 1 . 1 1 42 42 ARG N N 42 118.145 118.145 117.000 1.145 17805 227 1 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.432 -0.117 17805 228 1 . 1 1 42 42 ARG C C 42 177.731 177.731 176.435 1.296 17805 229 1 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.642 -1.194 17805 230 1 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.958 -0.853 17805 231 1 . 1 1 42 42 ARG H H 42 7.938 7.938 7.499 0.439 17805 232 1 . 1 1 43 43 GLN N N 43 118.250 118.250 116.187 2.063 17805 233 1 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.629 -0.378 17805 234 1 . 1 1 43 43 GLN C C 43 176.186 176.186 173.971 2.215 17805 235 1 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.332 2.205 17805 236 1 . 1 1 43 43 GLN CB C 43 30.992 30.992 32.101 -1.109 17805 237 1 . 1 1 43 43 GLN H H 43 7.034 7.034 7.590 -0.556 17805 238 1 . 1 1 44 44 LYS N N 44 122.693 122.693 119.125 3.568 17805 239 1 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.686 -0.222 17805 240 1 . 1 1 44 44 LYS C C 44 178.040 178.040 174.553 3.487 17805 241 1 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.721 0.831 17805 242 1 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.723 -0.398 17805 243 1 . 1 1 44 44 LYS H H 44 8.806 8.806 8.072 0.734 17805 244 1 . 1 1 45 45 LEU N N 45 124.806 124.806 123.265 1.541 17805 245 1 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.724 0.219 17805 246 1 . 1 1 45 45 LEU C C 45 176.506 176.506 177.874 -1.368 17805 247 1 . 1 1 45 45 LEU CA C 45 53.542 53.542 53.892 -0.350 17805 248 1 . 1 1 45 45 LEU CB C 45 41.821 41.821 42.342 -0.521 17805 249 1 . 1 1 45 45 LEU H H 45 8.704 8.704 8.673 0.031 17805 250 1 . 1 1 46 46 LEU N N 46 124.709 124.709 125.140 -0.431 17805 251 1 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.045 0.313 17805 252 1 . 1 1 46 46 LEU C C 46 175.289 175.289 176.803 -1.514 17805 253 1 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.683 -0.924 17805 254 1 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.921 0.605 17805 255 1 . 1 1 46 46 LEU H H 46 8.751 8.751 8.535 0.216 17805 256 1 . 1 1 47 47 GLY N N 47 109.276 109.276 112.972 -3.696 17805 257 1 . 1 1 47 47 GLY C C 47 179.057 179.057 172.622 6.435 17805 258 1 . 1 1 47 47 GLY CA C 47 45.560 45.560 45.328 0.232 17805 259 1 . 1 1 47 47 GLY H H 47 8.300 8.300 8.250 0.050 17805 260 1 . 1 1 48 48 LEU N N 48 119.707 119.707 120.401 -0.694 17805 261 1 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.693 -0.103 17805 262 1 . 1 1 48 48 LEU C C 48 177.598 177.598 175.008 2.590 17805 263 1 . 1 1 48 48 LEU CA C 48 53.945 53.945 53.718 0.227 17805 264 1 . 1 1 48 48 LEU CB C 48 41.414 41.414 46.124 -4.710 17805 265 1 . 1 1 48 48 LEU H H 48 7.581 7.581 8.147 -0.566 17805 266 1 . 1 1 49 49 LYS N N 49 124.527 124.527 120.762 3.765 17805 267 1 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.786 0.066 17805 268 1 . 1 1 49 49 LYS C C 49 178.059 178.059 175.377 2.682 17805 269 1 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.839 0.824 17805 270 1 . 1 1 49 49 LYS CB C 49 37.581 37.581 33.582 3.999 17805 271 1 . 1 1 49 49 LYS H H 49 8.606 8.606 8.184 0.422 17805 272 1 . 1 1 50 50 VAL N N 50 119.184 119.184 123.501 -4.317 17805 273 1 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.380 -0.267 17805 274 1 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.492 1.373 17805 275 1 . 1 1 50 50 VAL CB C 50 34.734 34.734 33.970 0.764 17805 276 1 . 1 1 50 50 VAL H H 50 8.799 8.799 8.480 0.319 17805 277 1 . 1 1 51 51 LYS N N 51 127.069 127.069 127.214 -0.145 17805 278 1 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.975 -0.151 17805 279 1 . 1 1 51 51 LYS C C 51 176.418 176.418 176.325 0.093 17805 280 1 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.047 0.360 17805 281 1 . 1 1 51 51 LYS CB C 51 30.655 30.655 29.997 0.658 17805 282 1 . 1 1 51 51 LYS H H 51 9.451 9.451 9.250 0.201 17805 283 1 . 1 1 52 52 GLY N N 52 102.671 102.671 103.007 -0.336 17805 284 1 . 1 1 52 52 GLY C C 52 179.392 179.392 174.485 4.907 17805 285 1 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.062 0.748 17805 286 1 . 1 1 52 52 GLY H H 52 8.512 8.512 8.461 0.051 17805 287 1 . 1 1 53 53 LYS N N 53 121.307 121.307 121.376 -0.069 17805 288 1 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.730 0.099 17805 289 1 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.087 0.529 17805 290 1 . 1 1 53 53 LYS CB C 53 33.940 33.940 33.325 0.615 17805 291 1 . 1 1 53 53 LYS H H 53 7.781 7.781 7.883 -0.102 17805 292 1 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.377 -0.001 17805 293 1 . 1 1 54 54 PRO C C 54 175.954 175.954 176.049 -0.095 17805 294 1 . 1 1 54 54 PRO CA C 54 63.817 63.817 62.748 1.069 17805 295 1 . 1 1 54 54 PRO CB C 54 32.151 32.151 29.856 2.295 17805 296 1 . 1 1 55 55 ALA N N 55 125.654 125.654 122.922 2.732 17805 297 1 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.911 0.227 17805 298 1 . 1 1 55 55 ALA C C 55 175.977 175.977 176.885 -0.908 17805 299 1 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.601 0.063 17805 300 1 . 1 1 55 55 ALA CB C 55 20.044 20.044 18.210 1.834 17805 301 1 . 1 1 55 55 ALA H H 55 8.114 8.114 8.182 -0.068 17805 302 1 . 1 1 56 56 GLU N N 56 122.313 122.313 121.159 1.154 17805 303 1 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.065 0.150 17805 304 1 . 1 1 56 56 GLU C C 56 176.924 176.924 177.784 -0.860 17805 305 1 . 1 1 56 56 GLU CA C 56 56.089 56.089 56.395 -0.306 17805 306 1 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.480 0.606 17805 307 1 . 1 1 56 56 GLU H H 56 8.179 8.179 8.374 -0.195 17805 308 1 . 1 1 57 57 ASN N N 57 115.140 115.140 120.028 -4.888 17805 309 1 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.429 -0.200 17805 310 1 . 1 1 57 57 ASN C C 57 177.457 177.457 176.597 0.860 17805 311 1 . 1 1 57 57 ASN CA C 57 55.199 55.199 56.266 -1.067 17805 312 1 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.335 0.892 17805 313 1 . 1 1 57 57 ASN H H 57 8.504 8.504 8.819 -0.315 17805 314 1 . 1 1 58 58 ASP N N 58 112.832 112.832 117.031 -4.199 17805 315 1 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.545 -0.057 17805 316 1 . 1 1 58 58 ASP C C 58 177.255 177.255 175.923 1.332 17805 317 1 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.529 -0.920 17805 318 1 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.867 -0.563 17805 319 1 . 1 1 58 58 ASP H H 58 8.198 8.198 8.447 -0.249 17805 320 1 . 1 1 59 59 VAL N N 59 122.073 122.073 120.825 1.248 17805 321 1 . 1 1 59 59 VAL HA H 59 3.593 3.593 3.950 -0.357 17805 322 1 . 1 1 59 59 VAL C C 59 177.321 177.321 175.733 1.588 17805 323 1 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.858 0.982 17805 324 1 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.417 -0.095 17805 325 1 . 1 1 59 59 VAL H H 59 7.353 7.353 7.452 -0.099 17805 326 1 . 1 1 60 60 LYS N N 60 125.064 125.064 126.220 -1.156 17805 327 1 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.133 0.314 17805 328 1 . 1 1 60 60 LYS C C 60 174.649 174.649 177.207 -2.558 17805 329 1 . 1 1 60 60 LYS CA C 60 56.185 56.185 56.837 -0.652 17805 330 1 . 1 1 60 60 LYS CB C 60 33.105 33.105 32.706 0.398 17805 331 1 . 1 1 60 60 LYS H H 60 8.339 8.339 8.426 -0.087 17805 332 1 . 1 1 61 61 LEU N N 61 121.612 121.612 121.262 0.350 17805 333 1 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.233 -0.457 17805 334 1 . 1 1 61 61 LEU C C 61 171.906 171.906 179.102 -7.196 17805 335 1 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.008 0.979 17805 336 1 . 1 1 61 61 LEU CB C 61 40.832 40.832 40.961 -0.129 17805 337 1 . 1 1 61 61 LEU H H 61 9.423 9.423 8.503 0.920 17805 338 1 . 1 1 62 62 GLY N N 62 104.008 104.008 105.100 -1.092 17805 339 1 . 1 1 62 62 GLY C C 62 177.869 177.869 175.060 2.809 17805 340 1 . 1 1 62 62 GLY CA C 62 46.772 46.772 46.824 -0.052 17805 341 1 . 1 1 62 62 GLY H H 62 9.107 9.107 7.621 1.486 17805 342 1 . 1 1 63 63 ALA N N 63 122.025 122.025 123.372 -1.347 17805 343 1 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.168 0.105 17805 344 1 . 1 1 63 63 ALA C C 63 174.499 174.499 178.252 -3.753 17805 345 1 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.271 -0.850 17805 346 1 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.842 -0.026 17805 347 1 . 1 1 63 63 ALA H H 63 7.755 7.755 8.046 -0.291 17805 348 1 . 1 1 64 64 LEU N N 64 115.454 115.454 113.881 1.573 17805 349 1 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.534 -0.466 17805 350 1 . 1 1 64 64 LEU C C 64 177.197 177.197 177.734 -0.537 17805 351 1 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.324 0.243 17805 352 1 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.328 -0.192 17805 353 1 . 1 1 64 64 LEU H H 64 7.214 7.214 7.506 -0.292 17805 354 1 . 1 1 65 65 LYS N N 65 114.830 114.830 118.673 -3.843 17805 355 1 . 1 1 65 65 LYS HA H 65 3.838 3.838 4.080 -0.242 17805 356 1 . 1 1 65 65 LYS C C 65 177.061 177.061 176.926 0.134 17805 357 1 . 1 1 65 65 LYS CA C 65 56.737 56.737 58.617 -1.880 17805 358 1 . 1 1 65 65 LYS CB C 65 29.307 29.307 33.012 -3.705 17805 359 1 . 1 1 65 65 LYS H H 65 7.642 7.642 7.992 -0.350 17805 360 1 . 1 1 66 66 LEU N N 66 119.305 119.305 111.326 7.979 17805 361 1 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.550 -0.387 17805 362 1 . 1 1 66 66 LEU C C 66 175.393 175.393 175.763 -0.370 17805 363 1 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.497 0.350 17805 364 1 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.697 0.015 17805 365 1 . 1 1 66 66 LEU H H 66 8.516 8.516 7.478 1.039 17805 366 1 . 1 1 67 67 LYS N N 67 121.480 121.480 120.454 1.026 17805 367 1 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.541 -0.044 17805 368 1 . 1 1 67 67 LYS CA C 67 54.152 54.152 56.096 -1.944 17805 369 1 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.681 0.318 17805 370 1 . 1 1 67 67 LYS H H 67 7.955 7.955 8.384 -0.429 17805 371 1 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.328 -0.159 17805 372 1 . 1 1 68 68 PRO C C 68 176.609 176.609 177.778 -1.169 17805 373 1 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.524 -1.135 17805 374 1 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.058 0.156 17805 375 1 . 1 1 69 69 ASN N N 69 115.414 115.414 115.963 -0.549 17805 376 1 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.454 -0.492 17805 377 1 . 1 1 69 69 ASN C C 69 178.824 178.824 175.611 3.213 17805 378 1 . 1 1 69 69 ASN CA C 69 55.021 55.021 54.907 0.114 17805 379 1 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.583 -0.536 17805 380 1 . 1 1 69 69 ASN H H 69 8.966 8.966 8.540 0.426 17805 381 1 . 1 1 70 70 THR N N 70 115.426 115.426 115.430 -0.004 17805 382 1 . 1 1 70 70 THR HA H 70 3.949 3.949 4.365 -0.416 17805 383 1 . 1 1 70 70 THR C C 70 180.592 180.592 174.041 6.551 17805 384 1 . 1 1 70 70 THR CA C 70 65.247 65.247 62.853 2.394 17805 385 1 . 1 1 70 70 THR CB C 70 70.132 70.132 69.906 0.226 17805 386 1 . 1 1 70 70 THR H H 70 7.712 7.712 7.595 0.117 17805 387 1 . 1 1 71 71 LYS N N 71 124.603 124.603 123.576 1.027 17805 388 1 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.926 0.253 17805 389 1 . 1 1 71 71 LYS C C 71 177.157 177.157 175.904 1.253 17805 390 1 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.123 0.217 17805 391 1 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.026 -0.297 17805 392 1 . 1 1 71 71 LYS H H 71 8.284 8.284 8.276 0.008 17805 393 1 . 1 1 72 72 ILE N N 72 123.505 123.505 119.689 3.816 17805 394 1 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.534 -0.023 17805 395 1 . 1 1 72 72 ILE C C 72 178.360 178.360 174.835 3.525 17805 396 1 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.480 0.156 17805 397 1 . 1 1 72 72 ILE CB C 72 40.827 40.827 40.918 -0.091 17805 398 1 . 1 1 72 72 ILE H H 72 9.142 9.142 8.944 0.198 17805 399 1 . 1 1 73 73 MET N N 73 123.090 123.090 121.227 1.863 17805 400 1 . 1 1 73 73 MET HA H 73 5.122 5.122 4.940 0.182 17805 401 1 . 1 1 73 73 MET C C 73 179.095 179.095 175.337 3.758 17805 402 1 . 1 1 73 73 MET CA C 73 54.949 54.949 54.911 0.038 17805 403 1 . 1 1 73 73 MET CB C 73 35.143 35.143 35.557 -0.414 17805 404 1 . 1 1 73 73 MET H H 73 8.556 8.556 8.722 -0.166 17805 405 1 . 1 1 74 74 MET N N 74 124.481 124.481 122.235 2.246 17805 406 1 . 1 1 74 74 MET HA H 74 5.288 5.288 4.715 0.573 17805 407 1 . 1 1 74 74 MET C C 74 178.476 178.476 175.254 3.222 17805 408 1 . 1 1 74 74 MET CA C 74 54.862 54.862 55.195 -0.333 17805 409 1 . 1 1 74 74 MET CB C 74 36.294 36.294 34.159 2.135 17805 410 1 . 1 1 74 74 MET H H 74 8.924 8.924 8.932 -0.008 17805 411 1 . 1 1 75 75 MET N N 75 123.963 123.963 124.794 -0.831 17805 412 1 . 1 1 75 75 MET HA H 75 5.093 5.093 4.842 0.251 17805 413 1 . 1 1 75 75 MET C C 75 177.842 177.842 174.866 2.976 17805 414 1 . 1 1 75 75 MET CA C 75 54.265 54.265 54.487 -0.222 17805 415 1 . 1 1 75 75 MET CB C 75 35.566 35.566 33.015 2.551 17805 416 1 . 1 1 75 75 MET H H 75 9.112 9.112 8.178 0.934 17805 417 1 . 1 1 76 76 GLY N N 76 109.773 109.773 111.102 -1.329 17805 418 1 . 1 1 76 76 GLY C C 76 180.165 180.165 172.577 7.589 17805 419 1 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.203 0.698 17805 420 1 . 1 1 76 76 GLY H H 76 8.711 8.711 8.416 0.295 17805 421 1 . 1 1 77 77 THR N N 77 113.345 113.345 114.120 -0.775 17805 422 1 . 1 1 77 77 THR HA H 77 4.787 4.787 4.766 0.021 17805 423 1 . 1 1 77 77 THR C C 77 178.955 178.955 173.607 5.348 17805 424 1 . 1 1 77 77 THR CA C 77 60.728 60.728 60.309 0.419 17805 425 1 . 1 1 77 77 THR CB C 77 71.481 71.481 71.010 0.471 17805 426 1 . 1 1 77 77 THR H H 77 8.280 8.280 8.098 0.182 17805 427 1 . 1 1 78 78 ARG N N 78 122.844 122.844 123.083 -0.239 17805 428 1 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.377 -0.229 17805 429 1 . 1 1 78 78 ARG C C 78 177.011 177.011 175.619 1.392 17805 430 1 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.342 1.539 17805 431 1 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.064 0.543 17805 432 1 . 1 1 78 78 ARG H H 78 8.852 8.852 8.559 0.293 17805 433 1 . 1 1 79 79 GLU N N 79 122.181 122.181 121.112 1.069 17805 434 1 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.451 -0.245 17805 435 1 . 1 1 79 79 GLU C C 79 176.784 176.784 175.636 1.148 17805 436 1 . 1 1 79 79 GLU CA C 79 57.007 57.007 55.607 1.400 17805 437 1 . 1 1 79 79 GLU CB C 79 30.764 30.764 31.264 -0.500 17805 438 1 . 1 1 79 79 GLU H H 79 8.300 8.300 8.493 -0.193 17805 439 1 . 1 1 80 80 GLU N N 80 126.965 126.965 121.207 5.758 17805 440 1 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.459 -0.410 17805 441 1 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.158 2.170 17805 442 1 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.127 1.160 17805 443 1 . 1 1 80 80 GLU H H 80 8.015 8.015 8.563 -0.548 17805 stop_ save_