data_25509 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25509 _Entry.PDB_ID 2MZZ 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 25509 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 123.241 123.241 119.473 3.768 25509 2 1 1 . 1 1 2 2 ASP C C 2 174.657 174.657 174.666 -0.009 25509 3 1 1 . 1 1 2 2 ASP CA C 2 52.100 52.100 54.930 -2.830 25509 4 1 1 . 1 1 2 2 ASP H H 2 8.114 8.114 8.517 -0.403 25509 5 1 1 . 1 1 3 3 PRO C C 3 178.464 178.464 175.458 3.006 25509 6 1 1 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.157 3.342 25509 7 1 1 . 1 1 4 4 ASP N N 4 118.258 118.258 122.878 -4.620 25509 8 1 1 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.663 -0.215 25509 9 1 1 . 1 1 4 4 ASP C C 4 178.808 178.808 177.748 1.060 25509 10 1 1 . 1 1 4 4 ASP CA C 4 57.247 57.247 56.014 1.233 25509 11 1 1 . 1 1 4 4 ASP H H 4 8.509 8.509 8.718 -0.209 25509 12 1 1 . 1 1 5 5 THR N N 5 119.780 119.780 116.448 3.332 25509 13 1 1 . 1 1 5 5 THR HA H 5 3.859 3.859 4.387 -0.528 25509 14 1 1 . 1 1 5 5 THR C C 5 177.699 177.699 176.428 1.271 25509 15 1 1 . 1 1 5 5 THR CA C 5 66.182 66.182 65.846 0.336 25509 16 1 1 . 1 1 5 5 THR H H 5 8.150 8.150 8.399 -0.249 25509 17 1 1 . 1 1 6 6 PHE N N 6 124.329 124.329 122.780 1.549 25509 18 1 1 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.756 -0.552 25509 19 1 1 . 1 1 6 6 PHE C C 6 176.665 176.665 177.000 -0.335 25509 20 1 1 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.160 0.640 25509 21 1 1 . 1 1 6 6 PHE H H 6 8.297 8.297 8.274 0.023 25509 22 1 1 . 1 1 7 7 SER N N 7 116.185 116.185 113.111 3.074 25509 23 1 1 . 1 1 7 7 SER C C 7 176.138 176.138 174.999 1.139 25509 24 1 1 . 1 1 7 7 SER CA C 7 61.480 61.480 60.649 0.831 25509 25 1 1 . 1 1 7 7 SER H H 7 8.752 8.752 8.545 0.207 25509 26 1 1 . 1 1 8 8 TYR N N 8 118.689 118.689 118.332 0.357 25509 27 1 1 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.348 -0.301 25509 28 1 1 . 1 1 8 8 TYR C C 8 177.077 177.077 175.719 1.358 25509 29 1 1 . 1 1 8 8 TYR CA C 8 60.282 60.282 60.762 -0.480 25509 30 1 1 . 1 1 8 8 TYR H H 8 7.967 7.967 7.669 0.298 25509 31 1 1 . 1 1 9 9 ASN N N 9 113.034 113.034 114.880 -1.846 25509 32 1 1 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.795 -0.565 25509 33 1 1 . 1 1 9 9 ASN C C 9 175.101 175.101 176.290 -1.189 25509 34 1 1 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.011 3.076 25509 35 1 1 . 1 1 9 9 ASN H H 9 7.577 7.577 7.698 -0.121 25509 36 1 1 . 1 1 10 10 PHE N N 10 117.719 117.719 118.185 -0.466 25509 37 1 1 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.395 -0.519 25509 38 1 1 . 1 1 10 10 PHE C C 10 171.880 171.880 175.570 -3.690 25509 39 1 1 . 1 1 10 10 PHE CA C 10 58.762 58.762 60.007 -1.245 25509 40 1 1 . 1 1 10 10 PHE H H 10 8.655 8.655 7.398 1.257 25509 41 1 1 . 1 1 11 11 ASN N N 11 114.885 114.885 117.010 -2.125 25509 42 1 1 . 1 1 11 11 ASN C C 11 174.730 174.730 174.147 0.583 25509 43 1 1 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.721 -0.282 25509 44 1 1 . 1 1 11 11 ASN H H 11 6.097 6.097 7.616 -1.519 25509 45 1 1 . 1 1 12 12 ASN N N 12 121.039 121.039 117.043 3.996 25509 46 1 1 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.694 -0.329 25509 47 1 1 . 1 1 12 12 ASN C C 12 174.578 174.578 174.471 0.107 25509 48 1 1 . 1 1 12 12 ASN CA C 12 51.417 51.417 53.825 -2.408 25509 49 1 1 . 1 1 12 12 ASN H H 12 6.688 6.688 8.798 -2.110 25509 50 1 1 . 1 1 13 13 ARG N N 13 119.646 119.646 119.522 0.124 25509 51 1 1 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.529 -0.941 25509 52 1 1 . 1 1 13 13 ARG C C 13 175.049 175.049 173.597 1.452 25509 53 1 1 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.324 2.006 25509 54 1 1 . 1 1 13 13 ARG H H 13 7.589 7.589 7.436 0.153 25509 55 1 1 . 1 1 14 14 PRO C C 14 176.477 176.477 177.594 -1.117 25509 56 1 1 . 1 1 14 14 PRO CA C 14 63.180 63.180 61.955 1.225 25509 57 1 1 . 1 1 15 15 ILE N N 15 120.304 120.304 118.541 1.763 25509 58 1 1 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.835 0.448 25509 59 1 1 . 1 1 15 15 ILE C C 15 175.956 175.956 176.660 -0.704 25509 60 1 1 . 1 1 15 15 ILE CA C 15 60.026 60.026 63.316 -3.290 25509 61 1 1 . 1 1 15 15 ILE H H 15 7.827 7.827 8.031 -0.204 25509 62 1 1 . 1 1 16 16 LEU N N 16 124.585 124.585 118.946 5.639 25509 63 1 1 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.469 -0.168 25509 64 1 1 . 1 1 16 16 LEU C C 16 177.213 177.213 175.181 2.032 25509 65 1 1 . 1 1 16 16 LEU CA C 16 55.089 55.089 54.114 0.975 25509 66 1 1 . 1 1 16 16 LEU H H 16 8.283 8.283 7.652 0.631 25509 67 1 1 . 1 1 17 17 SER N N 17 115.176 115.176 114.793 0.383 25509 68 1 1 . 1 1 17 17 SER C C 17 173.733 173.733 174.209 -0.476 25509 69 1 1 . 1 1 17 17 SER CA C 17 57.371 57.371 59.523 -2.151 25509 70 1 1 . 1 1 17 17 SER H H 17 7.782 7.782 8.233 -0.451 25509 71 1 1 . 1 1 18 18 ARG N N 18 122.072 122.072 119.867 2.205 25509 72 1 1 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.069 0.135 25509 73 1 1 . 1 1 18 18 ARG C C 18 176.524 176.524 174.826 1.698 25509 74 1 1 . 1 1 18 18 ARG CA C 18 55.944 55.944 57.124 -1.180 25509 75 1 1 . 1 1 18 18 ARG H H 18 8.318 8.318 8.633 -0.315 25509 76 1 1 . 1 1 21 21 THR HA H 21 4.574 4.574 4.363 0.211 25509 77 1 1 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.167 -0.137 25509 78 1 1 . 1 1 22 22 VAL CA C 22 61.772 61.772 59.476 2.296 25509 79 1 1 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.164 -0.085 25509 80 1 1 . 1 1 24 24 LEU C C 24 174.326 174.326 174.498 -0.172 25509 81 1 1 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.400 -0.197 25509 82 1 1 . 1 1 25 25 CYS N N 25 126.908 126.908 123.251 3.657 25509 83 1 1 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.559 -0.860 25509 84 1 1 . 1 1 25 25 CYS C C 25 173.285 173.285 174.113 -0.828 25509 85 1 1 . 1 1 25 25 CYS CA C 25 57.086 57.086 56.435 0.651 25509 86 1 1 . 1 1 25 25 CYS H H 25 9.325 9.325 8.510 0.815 25509 87 1 1 . 1 1 26 26 TYR N N 26 120.745 120.745 125.171 -4.426 25509 88 1 1 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.946 0.354 25509 89 1 1 . 1 1 26 26 TYR C C 26 173.449 173.449 173.665 -0.216 25509 90 1 1 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.929 -0.347 25509 91 1 1 . 1 1 26 26 TYR H H 26 9.039 9.039 9.134 -0.095 25509 92 1 1 . 1 1 27 27 GLU N N 27 118.222 118.222 120.030 -1.808 25509 93 1 1 . 1 1 27 27 GLU C C 27 175.348 175.348 176.088 -0.740 25509 94 1 1 . 1 1 27 27 GLU CA C 27 54.548 54.548 54.314 0.234 25509 95 1 1 . 1 1 27 27 GLU H H 27 9.358 9.358 8.792 0.566 25509 96 1 1 . 1 1 28 28 VAL N N 28 124.182 124.182 124.087 0.095 25509 97 1 1 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.711 0.203 25509 98 1 1 . 1 1 28 28 VAL C C 28 174.085 174.085 175.397 -1.312 25509 99 1 1 . 1 1 28 28 VAL CA C 28 61.231 61.231 62.279 -1.048 25509 100 1 1 . 1 1 28 28 VAL H H 28 9.479 9.479 9.233 0.246 25509 101 1 1 . 1 1 29 29 LYS N N 29 127.566 127.566 126.390 1.176 25509 102 1 1 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.962 0.429 25509 103 1 1 . 1 1 29 29 LYS C C 29 175.631 175.631 175.249 0.382 25509 104 1 1 . 1 1 29 29 LYS CA C 29 54.136 54.136 54.437 -0.301 25509 105 1 1 . 1 1 29 29 LYS H H 29 9.151 9.151 8.724 0.427 25509 106 1 1 . 1 1 30 30 THR N N 30 118.721 118.721 112.765 5.956 25509 107 1 1 . 1 1 30 30 THR HA H 30 4.617 4.617 4.174 0.443 25509 108 1 1 . 1 1 30 30 THR C C 30 173.948 173.948 175.471 -1.523 25509 109 1 1 . 1 1 30 30 THR CA C 30 61.228 61.228 60.408 0.820 25509 110 1 1 . 1 1 30 30 THR H H 30 8.615 8.615 8.036 0.579 25509 111 1 1 . 1 1 31 31 LYS N N 31 125.634 125.634 123.400 2.234 25509 112 1 1 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.004 -0.136 25509 113 1 1 . 1 1 31 31 LYS C C 31 176.799 176.799 177.402 -0.603 25509 114 1 1 . 1 1 31 31 LYS CA C 31 56.250 56.250 58.974 -2.724 25509 115 1 1 . 1 1 31 31 LYS H H 31 8.400 8.400 8.101 0.299 25509 116 1 1 . 1 1 32 32 GLY N N 32 111.069 111.069 106.243 4.826 25509 117 1 1 . 1 1 32 32 GLY C C 32 171.007 171.007 172.511 -1.504 25509 118 1 1 . 1 1 32 32 GLY CA C 32 44.006 44.006 44.155 -0.149 25509 119 1 1 . 1 1 32 32 GLY H H 32 8.170 8.170 8.457 -0.287 25509 120 1 1 . 1 1 33 33 PRO C C 33 176.964 176.964 176.784 0.180 25509 121 1 1 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.008 0.667 25509 122 1 1 . 1 1 34 34 SER N N 34 117.301 117.301 114.832 2.469 25509 123 1 1 . 1 1 34 34 SER HA H 34 4.372 4.372 4.499 -0.127 25509 124 1 1 . 1 1 34 34 SER C C 34 173.728 173.728 174.655 -0.927 25509 125 1 1 . 1 1 34 34 SER CA C 34 57.933 57.933 57.948 -0.015 25509 126 1 1 . 1 1 34 34 SER H H 34 8.383 8.383 8.157 0.226 25509 127 1 1 . 1 1 35 35 ARG N N 35 123.829 123.829 121.819 2.010 25509 128 1 1 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.443 0.129 25509 129 1 1 . 1 1 35 35 ARG C C 35 173.256 173.256 174.527 -1.271 25509 130 1 1 . 1 1 35 35 ARG CA C 35 53.217 53.217 55.053 -1.836 25509 131 1 1 . 1 1 35 35 ARG H H 35 8.153 8.153 8.472 -0.319 25509 132 1 1 . 1 1 37 37 PRO C C 37 176.060 176.060 177.273 -1.213 25509 133 1 1 . 1 1 37 37 PRO CA C 37 63.234 63.234 64.029 -0.795 25509 134 1 1 . 1 1 38 38 LEU N N 38 126.508 126.508 120.339 6.169 25509 135 1 1 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.462 -0.323 25509 136 1 1 . 1 1 38 38 LEU C C 38 176.490 176.490 177.709 -1.219 25509 137 1 1 . 1 1 38 38 LEU CA C 38 55.202 55.202 55.040 0.162 25509 138 1 1 . 1 1 38 38 LEU H H 38 8.347 8.347 7.446 0.901 25509 139 1 1 . 1 1 39 39 ASP N N 39 120.060 120.060 118.654 1.406 25509 140 1 1 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.542 -0.171 25509 141 1 1 . 1 1 39 39 ASP C C 39 175.525 175.525 175.723 -0.198 25509 142 1 1 . 1 1 39 39 ASP CA C 39 53.948 53.948 54.538 -0.590 25509 143 1 1 . 1 1 39 39 ASP H H 39 8.299 8.299 8.444 -0.145 25509 144 1 1 . 1 1 40 40 ALA N N 40 123.020 123.020 121.100 1.920 25509 145 1 1 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.031 0.335 25509 146 1 1 . 1 1 40 40 ALA C C 40 177.243 177.243 176.963 0.280 25509 147 1 1 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.949 -1.366 25509 148 1 1 . 1 1 40 40 ALA H H 40 7.972 7.972 7.650 0.322 25509 149 1 1 . 1 1 41 41 LYS N N 41 120.582 120.582 121.052 -0.470 25509 150 1 1 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.518 -0.168 25509 151 1 1 . 1 1 41 41 LYS C C 41 175.874 175.874 174.710 1.164 25509 152 1 1 . 1 1 41 41 LYS CA C 41 56.520 56.520 55.277 1.243 25509 153 1 1 . 1 1 41 41 LYS H H 41 8.286 8.286 8.338 -0.052 25509 154 1 1 . 1 1 42 42 ILE N N 42 119.815 119.815 122.802 -2.987 25509 155 1 1 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.405 0.473 25509 156 1 1 . 1 1 42 42 ILE C C 42 174.828 174.828 174.913 -0.085 25509 157 1 1 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.803 -0.925 25509 158 1 1 . 1 1 42 42 ILE H H 42 7.830 7.830 8.069 -0.239 25509 159 1 1 . 1 1 43 43 PHE N N 43 126.131 126.131 129.830 -3.699 25509 160 1 1 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.714 0.171 25509 161 1 1 . 1 1 43 43 PHE C C 43 173.801 173.801 173.819 -0.018 25509 162 1 1 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.501 -0.228 25509 163 1 1 . 1 1 43 43 PHE H H 43 8.780 8.780 8.696 0.084 25509 164 1 1 . 1 1 44 44 ARG N N 44 122.879 122.879 126.728 -3.849 25509 165 1 1 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.266 0.240 25509 166 1 1 . 1 1 44 44 ARG C C 44 175.196 175.196 175.726 -0.530 25509 167 1 1 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.921 -0.654 25509 168 1 1 . 1 1 44 44 ARG H H 44 8.368 8.368 8.367 0.001 25509 169 1 1 . 1 1 45 45 GLY N N 45 108.917 108.917 111.195 -2.278 25509 170 1 1 . 1 1 45 45 GLY C C 45 169.838 169.838 172.127 -2.289 25509 171 1 1 . 1 1 45 45 GLY CA C 45 44.841 44.841 45.080 -0.239 25509 172 1 1 . 1 1 45 45 GLY H H 45 7.714 7.714 8.550 -0.836 25509 173 1 1 . 1 1 46 46 GLN N N 46 113.774 113.774 116.234 -2.460 25509 174 1 1 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.408 0.199 25509 175 1 1 . 1 1 46 46 GLN C C 46 174.884 174.884 175.478 -0.594 25509 176 1 1 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.962 -1.056 25509 177 1 1 . 1 1 46 46 GLN H H 46 8.411 8.411 8.594 -0.183 25509 178 1 1 . 1 1 47 47 VAL N N 47 120.282 120.282 117.866 2.416 25509 179 1 1 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.243 0.132 25509 180 1 1 . 1 1 47 47 VAL C C 47 172.005 172.005 176.625 -4.620 25509 181 1 1 . 1 1 47 47 VAL CA C 47 59.977 59.977 61.559 -1.583 25509 182 1 1 . 1 1 47 47 VAL H H 47 9.499 9.499 8.635 0.864 25509 183 1 1 . 1 1 49 49 SER C C 49 173.486 173.486 174.163 -0.677 25509 184 1 1 . 1 1 49 49 SER CA C 49 57.077 57.077 58.789 -1.712 25509 185 1 1 . 1 1 50 50 GLU N N 50 123.998 123.998 121.621 2.377 25509 186 1 1 . 1 1 50 50 GLU C C 50 175.276 175.276 176.031 -0.755 25509 187 1 1 . 1 1 50 50 GLU CA C 50 54.505 54.505 57.498 -2.993 25509 188 1 1 . 1 1 50 50 GLU H H 50 8.748 8.748 7.912 0.836 25509 189 1 1 . 1 1 51 51 ASP N N 51 123.737 123.737 119.953 3.784 25509 190 1 1 . 1 1 51 51 ASP C C 51 176.320 176.320 176.183 0.137 25509 191 1 1 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.453 -0.543 25509 192 1 1 . 1 1 51 51 ASP H H 51 8.479 8.479 7.910 0.569 25509 193 1 1 . 1 1 52 52 LYS N N 52 114.578 114.578 123.737 -9.159 25509 194 1 1 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.026 0.106 25509 195 1 1 . 1 1 52 52 LYS C C 52 175.538 175.538 177.232 -1.694 25509 196 1 1 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.732 -0.643 25509 197 1 1 . 1 1 52 52 LYS H H 52 7.677 7.677 8.548 -0.871 25509 198 1 1 . 1 1 53 53 TYR N N 53 124.836 124.836 119.255 5.581 25509 199 1 1 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.381 0.389 25509 200 1 1 . 1 1 53 53 TYR C C 53 175.498 175.498 175.339 0.159 25509 201 1 1 . 1 1 53 53 TYR CA C 53 53.507 53.507 58.811 -5.304 25509 202 1 1 . 1 1 53 53 TYR H H 53 8.490 8.490 7.744 0.746 25509 203 1 1 . 1 1 54 54 HIS N N 54 128.974 128.974 122.642 6.332 25509 204 1 1 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.395 0.361 25509 205 1 1 . 1 1 54 54 HIS C C 54 174.123 174.123 174.921 -0.798 25509 206 1 1 . 1 1 54 54 HIS CA C 54 53.734 53.734 54.432 -0.698 25509 207 1 1 . 1 1 54 54 HIS H H 54 8.622 8.622 8.087 0.535 25509 208 1 1 . 1 1 56 56 GLU C C 56 178.356 178.356 177.703 0.653 25509 209 1 1 . 1 1 56 56 GLU CA C 56 60.597 60.597 59.137 1.460 25509 210 1 1 . 1 1 57 57 MET N N 57 113.971 113.971 113.344 0.627 25509 211 1 1 . 1 1 57 57 MET HA H 57 4.433 4.433 4.936 -0.503 25509 212 1 1 . 1 1 57 57 MET C C 57 180.454 180.454 177.860 2.594 25509 213 1 1 . 1 1 57 57 MET CA C 57 55.453 55.453 57.519 -2.066 25509 214 1 1 . 1 1 57 57 MET H H 57 6.807 6.807 8.322 -1.515 25509 215 1 1 . 1 1 58 58 ARG N N 58 123.367 123.367 120.347 3.020 25509 216 1 1 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.118 -0.354 25509 217 1 1 . 1 1 58 58 ARG C C 58 179.588 179.588 178.214 1.374 25509 218 1 1 . 1 1 58 58 ARG CA C 58 58.505 58.505 58.437 0.068 25509 219 1 1 . 1 1 58 58 ARG H H 58 7.658 7.658 8.558 -0.900 25509 220 1 1 . 1 1 59 59 PHE N N 59 121.256 121.256 120.176 1.080 25509 221 1 1 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.211 -0.653 25509 222 1 1 . 1 1 59 59 PHE C C 59 175.915 175.915 175.760 0.155 25509 223 1 1 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.489 1.866 25509 224 1 1 . 1 1 59 59 PHE H H 59 8.925 8.925 7.985 0.940 25509 225 1 1 . 1 1 60 60 LEU N N 60 118.280 118.280 119.152 -0.872 25509 226 1 1 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.817 -0.345 25509 227 1 1 . 1 1 60 60 LEU C C 60 179.572 179.572 178.524 1.048 25509 228 1 1 . 1 1 60 60 LEU CA C 60 57.365 57.365 58.204 -0.839 25509 229 1 1 . 1 1 60 60 LEU H H 60 7.587 7.587 7.889 -0.302 25509 230 1 1 . 1 1 61 61 SER N N 61 115.099 115.099 115.172 -0.073 25509 231 1 1 . 1 1 61 61 SER HA H 61 4.053 4.053 3.985 0.068 25509 232 1 1 . 1 1 61 61 SER C C 61 176.822 176.822 176.326 0.496 25509 233 1 1 . 1 1 61 61 SER CA C 61 60.923 60.923 61.729 -0.806 25509 234 1 1 . 1 1 61 61 SER H H 61 7.479 7.479 7.558 -0.079 25509 235 1 1 . 1 1 62 62 LEU N N 62 123.881 123.881 121.172 2.709 25509 236 1 1 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.259 0.135 25509 237 1 1 . 1 1 62 62 LEU C C 62 177.319 177.319 177.120 0.199 25509 238 1 1 . 1 1 62 62 LEU CA C 62 56.877 56.877 56.873 0.004 25509 239 1 1 . 1 1 62 62 LEU H H 62 7.302 7.302 7.106 0.196 25509 240 1 1 . 1 1 63 63 VAL N N 63 115.745 115.745 118.173 -2.428 25509 241 1 1 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.160 -0.481 25509 242 1 1 . 1 1 63 63 VAL C C 63 178.913 178.913 178.080 0.833 25509 243 1 1 . 1 1 63 63 VAL CA C 63 64.567 64.567 66.782 -2.215 25509 244 1 1 . 1 1 63 63 VAL H H 63 7.039 7.039 6.706 0.333 25509 245 1 1 . 1 1 64 64 SER N N 64 114.324 114.324 113.881 0.443 25509 246 1 1 . 1 1 64 64 SER C C 64 176.376 176.376 175.699 0.677 25509 247 1 1 . 1 1 64 64 SER CA C 64 60.925 60.925 60.853 0.072 25509 248 1 1 . 1 1 64 64 SER H H 64 7.205 7.205 8.047 -0.842 25509 249 1 1 . 1 1 65 65 LYS N N 65 121.823 121.823 119.992 1.831 25509 250 1 1 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.064 0.011 25509 251 1 1 . 1 1 65 65 LYS C C 65 178.346 178.346 178.649 -0.303 25509 252 1 1 . 1 1 65 65 LYS CA C 65 57.294 57.294 58.154 -0.860 25509 253 1 1 . 1 1 65 65 LYS H H 65 7.294 7.294 7.505 -0.211 25509 254 1 1 . 1 1 66 66 TRP N N 66 120.291 120.291 120.672 -0.381 25509 255 1 1 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.798 -0.324 25509 256 1 1 . 1 1 66 66 TRP CA C 66 56.009 56.009 54.963 1.046 25509 257 1 1 . 1 1 66 66 TRP H H 66 7.834 7.834 7.670 0.164 25509 258 1 1 . 1 1 69 69 HIS C C 69 176.475 176.475 173.827 2.648 25509 259 1 1 . 1 1 69 69 HIS CA C 69 56.029 56.029 55.275 0.754 25509 260 1 1 . 1 1 70 70 ARG N N 70 121.733 121.733 120.509 1.224 25509 261 1 1 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.401 -0.904 25509 262 1 1 . 1 1 70 70 ARG C C 70 175.806 175.806 175.627 0.179 25509 263 1 1 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.584 0.758 25509 264 1 1 . 1 1 70 70 ARG H H 70 8.527 8.527 8.018 0.509 25509 265 1 1 . 1 1 71 71 ASP N N 71 116.800 116.800 124.315 -7.515 25509 266 1 1 . 1 1 71 71 ASP C C 71 175.213 175.213 176.356 -1.143 25509 267 1 1 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.652 -2.625 25509 268 1 1 . 1 1 71 71 ASP H H 71 8.599 8.599 8.779 -0.180 25509 269 1 1 . 1 1 72 72 GLN N N 72 119.761 119.761 117.910 1.851 25509 270 1 1 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.418 0.104 25509 271 1 1 . 1 1 72 72 GLN C C 72 172.972 172.972 174.844 -1.872 25509 272 1 1 . 1 1 72 72 GLN CA C 72 53.807 53.807 56.554 -2.747 25509 273 1 1 . 1 1 72 72 GLN H H 72 7.629 7.629 8.488 -0.859 25509 274 1 1 . 1 1 73 73 GLU N N 73 117.994 117.994 118.941 -0.947 25509 275 1 1 . 1 1 73 73 GLU C C 73 176.011 176.011 175.080 0.931 25509 276 1 1 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.879 -0.983 25509 277 1 1 . 1 1 73 73 GLU H H 73 7.984 7.984 8.308 -0.324 25509 278 1 1 . 1 1 74 74 TYR N N 74 120.098 120.098 122.167 -2.069 25509 279 1 1 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.904 0.219 25509 280 1 1 . 1 1 74 74 TYR C C 74 174.675 174.675 173.802 0.873 25509 281 1 1 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.263 -0.520 25509 282 1 1 . 1 1 74 74 TYR H H 74 8.860 8.860 8.760 0.100 25509 283 1 1 . 1 1 75 75 GLU N N 75 123.539 123.539 124.075 -0.536 25509 284 1 1 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.137 -0.244 25509 285 1 1 . 1 1 75 75 GLU C C 75 175.614 175.614 174.473 1.141 25509 286 1 1 . 1 1 75 75 GLU CA C 75 54.571 54.571 53.858 0.713 25509 287 1 1 . 1 1 75 75 GLU H H 75 9.321 9.321 8.523 0.798 25509 288 1 1 . 1 1 76 76 VAL N N 76 128.647 128.647 126.702 1.945 25509 289 1 1 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.330 -0.144 25509 290 1 1 . 1 1 76 76 VAL C C 76 175.004 175.004 175.380 -0.376 25509 291 1 1 . 1 1 76 76 VAL CA C 76 60.376 60.376 60.003 0.373 25509 292 1 1 . 1 1 76 76 VAL H H 76 9.399 9.399 8.971 0.428 25509 293 1 1 . 1 1 77 77 THR N N 77 126.297 126.297 123.563 2.734 25509 294 1 1 . 1 1 77 77 THR HA H 77 5.223 5.223 4.546 0.677 25509 295 1 1 . 1 1 77 77 THR C C 77 173.353 173.353 173.375 -0.022 25509 296 1 1 . 1 1 77 77 THR CA C 77 61.442 61.442 62.194 -0.752 25509 297 1 1 . 1 1 77 77 THR H H 77 9.597 9.597 8.616 0.981 25509 298 1 1 . 1 1 78 78 TRP N N 78 125.914 125.914 127.413 -1.499 25509 299 1 1 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.935 0.735 25509 300 1 1 . 1 1 78 78 TRP C C 78 174.723 174.723 174.647 0.076 25509 301 1 1 . 1 1 78 78 TRP CA C 78 48.205 48.205 54.651 -6.446 25509 302 1 1 . 1 1 78 78 TRP H H 78 9.173 9.173 9.287 -0.114 25509 303 1 1 . 1 1 79 79 TYR N N 79 120.962 120.962 124.586 -3.624 25509 304 1 1 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.761 0.556 25509 305 1 1 . 1 1 79 79 TYR CA C 79 56.699 56.699 57.930 -1.231 25509 306 1 1 . 1 1 79 79 TYR H H 79 9.322 9.322 9.315 0.007 25509 307 1 1 . 1 1 80 80 ILE N N 80 125.201 125.201 123.344 1.857 25509 308 1 1 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.470 1.459 25509 309 1 1 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.401 -16.564 25509 310 1 1 . 1 1 80 80 ILE H H 80 9.634 9.634 8.165 1.469 25509 311 1 1 . 1 1 86 86 THR HA H 86 3.629 3.629 4.175 -0.546 25509 312 1 1 . 1 1 86 86 THR C C 86 175.273 175.273 176.601 -1.328 25509 313 1 1 . 1 1 86 86 THR CA C 86 60.845 60.845 66.264 -5.419 25509 314 1 1 . 1 1 87 87 LYS N N 87 121.904 121.904 122.218 -0.314 25509 315 1 1 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.163 -0.220 25509 316 1 1 . 1 1 87 87 LYS C C 87 178.969 178.969 178.664 0.305 25509 317 1 1 . 1 1 87 87 LYS CA C 87 59.326 59.326 59.712 -0.386 25509 318 1 1 . 1 1 87 87 LYS H H 87 7.728 7.728 8.136 -0.408 25509 319 1 1 . 1 1 88 88 CYS N N 88 121.877 121.877 118.653 3.224 25509 320 1 1 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.577 -0.643 25509 321 1 1 . 1 1 88 88 CYS C C 88 178.168 178.168 176.893 1.275 25509 322 1 1 . 1 1 88 88 CYS CA C 88 65.201 65.201 61.209 3.992 25509 323 1 1 . 1 1 88 88 CYS H H 88 8.717 8.717 7.767 0.950 25509 324 1 1 . 1 1 89 89 ALA N N 89 120.872 120.872 122.400 -1.528 25509 325 1 1 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.168 -0.279 25509 326 1 1 . 1 1 89 89 ALA C C 89 179.782 179.782 179.621 0.161 25509 327 1 1 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.222 0.078 25509 328 1 1 . 1 1 89 89 ALA H H 89 9.009 9.009 8.186 0.823 25509 329 1 1 . 1 1 90 90 ARG N N 90 117.797 117.797 117.561 0.236 25509 330 1 1 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.092 -0.107 25509 331 1 1 . 1 1 90 90 ARG C C 90 179.333 179.333 178.755 0.578 25509 332 1 1 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.269 0.084 25509 333 1 1 . 1 1 90 90 ARG H H 90 7.912 7.912 7.683 0.229 25509 334 1 1 . 1 1 91 91 ASP N N 91 121.892 121.892 120.084 1.808 25509 335 1 1 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.574 -0.099 25509 336 1 1 . 1 1 91 91 ASP C C 91 180.593 180.593 178.267 2.326 25509 337 1 1 . 1 1 91 91 ASP CA C 91 57.329 57.329 57.072 0.257 25509 338 1 1 . 1 1 91 91 ASP H H 91 8.413 8.413 8.042 0.371 25509 339 1 1 . 1 1 92 92 MET N N 92 121.165 121.165 119.836 1.329 25509 340 1 1 . 1 1 92 92 MET HA H 92 4.453 4.453 4.081 0.372 25509 341 1 1 . 1 1 92 92 MET C C 92 177.594 177.594 177.668 -0.074 25509 342 1 1 . 1 1 92 92 MET CA C 92 56.255 56.255 59.869 -3.614 25509 343 1 1 . 1 1 92 92 MET H H 92 8.986 8.986 8.399 0.587 25509 344 1 1 . 1 1 93 93 ALA N N 93 124.315 124.315 119.585 4.730 25509 345 1 1 . 1 1 93 93 ALA HA H 93 3.818 3.818 4.039 -0.221 25509 346 1 1 . 1 1 93 93 ALA C C 93 179.351 179.351 179.495 -0.144 25509 347 1 1 . 1 1 93 93 ALA CA C 93 55.459 55.459 54.927 0.532 25509 348 1 1 . 1 1 93 93 ALA H H 93 8.090 8.090 7.835 0.255 25509 349 1 1 . 1 1 94 94 THR N N 94 115.375 115.375 116.115 -0.740 25509 350 1 1 . 1 1 94 94 THR HA H 94 3.854 3.854 4.109 -0.255 25509 351 1 1 . 1 1 94 94 THR C C 94 175.971 175.971 176.099 -0.128 25509 352 1 1 . 1 1 94 94 THR CA C 94 66.140 66.140 66.946 -0.806 25509 353 1 1 . 1 1 94 94 THR H H 94 7.908 7.908 7.539 0.369 25509 354 1 1 . 1 1 95 95 PHE N N 95 121.559 121.559 123.299 -1.740 25509 355 1 1 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.810 -0.621 25509 356 1 1 . 1 1 95 95 PHE C C 95 178.456 178.456 176.755 1.701 25509 357 1 1 . 1 1 95 95 PHE CA C 95 61.307 61.307 60.094 1.213 25509 358 1 1 . 1 1 95 95 PHE H H 95 7.845 7.845 7.943 -0.098 25509 359 1 1 . 1 1 96 96 LEU N N 96 120.614 120.614 120.047 0.567 25509 360 1 1 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.430 0.321 25509 361 1 1 . 1 1 96 96 LEU C C 96 179.846 179.846 178.209 1.637 25509 362 1 1 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.446 -0.325 25509 363 1 1 . 1 1 96 96 LEU H H 96 8.493 8.493 8.585 -0.092 25509 364 1 1 . 1 1 97 97 GLN N N 97 118.135 118.135 117.926 0.209 25509 365 1 1 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.096 -0.024 25509 366 1 1 . 1 1 97 97 GLN C C 97 177.940 177.940 177.552 0.388 25509 367 1 1 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.136 -0.147 25509 368 1 1 . 1 1 97 97 GLN H H 97 7.971 7.971 8.367 -0.396 25509 369 1 1 . 1 1 98 98 GLU N N 98 115.676 115.676 118.580 -2.904 25509 370 1 1 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.145 0.077 25509 371 1 1 . 1 1 98 98 GLU C C 98 176.364 176.364 177.535 -1.171 25509 372 1 1 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.329 -0.864 25509 373 1 1 . 1 1 98 98 GLU H H 98 7.473 7.473 7.756 -0.283 25509 374 1 1 . 1 1 99 99 ASN N N 99 121.312 121.312 117.583 3.729 25509 375 1 1 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.734 0.252 25509 376 1 1 . 1 1 99 99 ASN C C 99 174.155 174.155 176.669 -2.514 25509 377 1 1 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.714 -2.756 25509 378 1 1 . 1 1 99 99 ASN H H 99 7.520 7.520 7.684 -0.164 25509 379 1 1 . 1 1 100 100 THR N N 100 111.032 111.032 113.059 -2.027 25509 380 1 1 . 1 1 100 100 THR HA H 100 4.438 4.438 3.877 0.561 25509 381 1 1 . 1 1 100 100 THR C C 100 174.600 174.600 175.093 -0.493 25509 382 1 1 . 1 1 100 100 THR CA C 100 63.613 63.613 65.742 -2.129 25509 383 1 1 . 1 1 100 100 THR H H 100 7.985 7.985 8.434 -0.449 25509 384 1 1 . 1 1 101 101 HIS C C 101 173.419 173.419 174.486 -1.067 25509 385 1 1 . 1 1 101 101 HIS CA C 101 56.546 56.546 56.882 -0.336 25509 386 1 1 . 1 1 102 102 VAL N N 102 123.373 123.373 118.497 4.876 25509 387 1 1 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.174 -0.531 25509 388 1 1 . 1 1 102 102 VAL C C 102 174.248 174.248 175.218 -0.970 25509 389 1 1 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.874 1.141 25509 390 1 1 . 1 1 102 102 VAL H H 102 7.561 7.561 7.543 0.018 25509 391 1 1 . 1 1 103 103 THR N N 103 119.261 119.261 120.089 -0.828 25509 392 1 1 . 1 1 103 103 THR HA H 103 4.702 4.702 4.848 -0.146 25509 393 1 1 . 1 1 103 103 THR C C 103 173.198 173.198 173.648 -0.450 25509 394 1 1 . 1 1 103 103 THR CA C 103 59.956 59.956 60.208 -0.252 25509 395 1 1 . 1 1 103 103 THR H H 103 8.370 8.370 8.870 -0.500 25509 396 1 1 . 1 1 104 104 LEU N N 104 128.085 128.085 124.861 3.224 25509 397 1 1 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.860 0.263 25509 398 1 1 . 1 1 104 104 LEU C C 104 175.009 175.009 175.415 -0.406 25509 399 1 1 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.401 -0.171 25509 400 1 1 . 1 1 104 104 LEU H H 104 9.373 9.373 8.173 1.200 25509 401 1 1 . 1 1 105 105 THR N N 105 126.064 126.064 120.334 5.730 25509 402 1 1 . 1 1 105 105 THR HA H 105 4.560 4.560 4.858 -0.298 25509 403 1 1 . 1 1 105 105 THR C C 105 171.873 171.873 174.238 -2.365 25509 404 1 1 . 1 1 105 105 THR CA C 105 61.546 61.546 61.153 0.393 25509 405 1 1 . 1 1 105 105 THR H H 105 8.561 8.561 8.957 -0.396 25509 406 1 1 . 1 1 106 106 ILE N N 106 125.679 125.679 125.504 0.175 25509 407 1 1 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.491 -0.284 25509 408 1 1 . 1 1 106 106 ILE C C 106 172.536 172.536 174.548 -2.012 25509 409 1 1 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.326 -2.439 25509 410 1 1 . 1 1 106 106 ILE H H 106 9.190 9.190 8.633 0.557 25509 411 1 1 . 1 1 107 107 PHE N N 107 126.337 126.337 126.149 0.188 25509 412 1 1 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.800 -0.544 25509 413 1 1 . 1 1 107 107 PHE C C 107 175.694 175.694 175.614 0.080 25509 414 1 1 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.580 0.762 25509 415 1 1 . 1 1 107 107 PHE H H 107 9.135 9.135 9.188 -0.053 25509 416 1 1 . 1 1 108 108 VAL N N 108 118.789 118.789 121.280 -2.491 25509 417 1 1 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.644 0.376 25509 418 1 1 . 1 1 108 108 VAL C C 108 176.539 176.539 174.626 1.913 25509 419 1 1 . 1 1 108 108 VAL CA C 108 58.498 58.498 60.835 -2.337 25509 420 1 1 . 1 1 108 108 VAL H H 108 8.936 8.936 8.201 0.735 25509 421 1 1 . 1 1 109 109 ALA N N 109 129.108 129.108 128.210 0.898 25509 422 1 1 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.961 -0.437 25509 423 1 1 . 1 1 109 109 ALA C C 109 175.933 175.933 178.376 -2.443 25509 424 1 1 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.530 2.508 25509 425 1 1 . 1 1 109 109 ALA H H 109 8.509 8.509 8.963 -0.454 25509 426 1 1 . 1 1 110 110 ARG N N 110 110.165 110.165 118.146 -7.981 25509 427 1 1 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.539 -0.034 25509 428 1 1 . 1 1 110 110 ARG C C 110 175.120 175.120 176.826 -1.706 25509 429 1 1 . 1 1 110 110 ARG CA C 110 54.555 54.555 58.816 -4.261 25509 430 1 1 . 1 1 110 110 ARG H H 110 6.677 6.677 8.076 -1.399 25509 431 1 1 . 1 1 111 111 LEU N N 111 119.767 119.767 117.455 2.312 25509 432 1 1 . 1 1 111 111 LEU HA H 111 4.515 4.515 3.897 0.618 25509 433 1 1 . 1 1 111 111 LEU CA C 111 53.198 53.198 56.302 -3.104 25509 434 1 1 . 1 1 111 111 LEU H H 111 7.031 7.031 8.340 -1.309 25509 435 1 1 . 1 1 117 117 PRO C C 117 178.666 178.666 178.095 0.571 25509 436 1 1 . 1 1 117 117 PRO CA C 117 64.996 64.996 64.897 0.099 25509 437 1 1 . 1 1 118 118 ASP N N 118 118.659 118.659 117.061 1.598 25509 438 1 1 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.649 -0.215 25509 439 1 1 . 1 1 118 118 ASP C C 118 178.263 178.263 178.011 0.252 25509 440 1 1 . 1 1 118 118 ASP CA C 118 56.740 56.740 56.579 0.161 25509 441 1 1 . 1 1 118 118 ASP H H 118 8.215 8.215 8.433 -0.218 25509 442 1 1 . 1 1 119 119 TYR N N 119 122.818 122.818 120.611 2.207 25509 443 1 1 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.139 0.065 25509 444 1 1 . 1 1 119 119 TYR C C 119 177.538 177.538 177.472 0.066 25509 445 1 1 . 1 1 119 119 TYR CA C 119 60.942 60.942 60.822 0.120 25509 446 1 1 . 1 1 119 119 TYR H H 119 7.994 7.994 8.018 -0.024 25509 447 1 1 . 1 1 120 120 GLN N N 120 117.143 117.143 117.060 0.083 25509 448 1 1 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.663 -0.155 25509 449 1 1 . 1 1 120 120 GLN C C 120 177.702 177.702 178.649 -0.947 25509 450 1 1 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.082 -0.096 25509 451 1 1 . 1 1 120 120 GLN H H 120 7.898 7.898 7.739 0.159 25509 452 1 1 . 1 1 121 121 GLU N N 121 117.707 117.707 119.385 -1.678 25509 453 1 1 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.017 -0.126 25509 454 1 1 . 1 1 121 121 GLU C C 121 178.815 178.815 178.793 0.022 25509 455 1 1 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.930 -0.327 25509 456 1 1 . 1 1 121 121 GLU H H 121 7.829 7.829 7.574 0.255 25509 457 1 1 . 1 1 122 122 ALA N N 122 123.710 123.710 122.370 1.340 25509 458 1 1 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.116 -0.216 25509 459 1 1 . 1 1 122 122 ALA C C 122 180.296 180.296 179.530 0.766 25509 460 1 1 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.960 -0.011 25509 461 1 1 . 1 1 122 122 ALA H H 122 7.881 7.881 8.258 -0.377 25509 462 1 1 . 1 1 123 123 LEU N N 123 119.307 119.307 117.725 1.582 25509 463 1 1 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.924 -0.133 25509 464 1 1 . 1 1 123 123 LEU C C 123 179.075 179.075 178.597 0.478 25509 465 1 1 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.674 -0.137 25509 466 1 1 . 1 1 123 123 LEU H H 123 8.073 8.073 7.902 0.171 25509 467 1 1 . 1 1 124 124 ARG N N 124 118.146 118.146 118.425 -0.279 25509 468 1 1 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.951 -0.119 25509 469 1 1 . 1 1 124 124 ARG C C 124 179.745 179.745 178.847 0.898 25509 470 1 1 . 1 1 124 124 ARG CA C 124 60.155 60.155 58.909 1.246 25509 471 1 1 . 1 1 124 124 ARG H H 124 8.074 8.074 7.447 0.627 25509 472 1 1 . 1 1 125 125 SER N N 125 117.399 117.399 115.924 1.475 25509 473 1 1 . 1 1 125 125 SER HA H 125 4.151 4.151 4.244 -0.093 25509 474 1 1 . 1 1 125 125 SER C C 125 176.389 176.389 176.646 -0.257 25509 475 1 1 . 1 1 125 125 SER CA C 125 54.752 54.752 62.250 -7.498 25509 476 1 1 . 1 1 125 125 SER H H 125 8.471 8.471 7.786 0.685 25509 477 1 1 . 1 1 126 126 LEU N N 126 125.924 125.924 122.256 3.668 25509 478 1 1 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.111 -0.141 25509 479 1 1 . 1 1 126 126 LEU C C 126 177.721 177.721 177.794 -0.073 25509 480 1 1 . 1 1 126 126 LEU CA C 126 57.423 57.423 57.059 0.364 25509 481 1 1 . 1 1 126 126 LEU H H 126 7.621 7.621 7.904 -0.283 25509 482 1 1 . 1 1 127 127 ALA N N 127 122.932 122.932 120.545 2.387 25509 483 1 1 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.165 0.511 25509 484 1 1 . 1 1 127 127 ALA C C 127 182.614 182.614 180.275 2.339 25509 485 1 1 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.294 -0.320 25509 486 1 1 . 1 1 127 127 ALA H H 127 7.973 7.973 8.096 -0.123 25509 487 1 1 . 1 1 128 128 GLN N N 128 120.408 120.408 118.520 1.888 25509 488 1 1 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.039 -0.010 25509 489 1 1 . 1 1 128 128 GLN C C 128 177.613 177.613 177.490 0.123 25509 490 1 1 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.227 -0.176 25509 491 1 1 . 1 1 128 128 GLN H H 128 8.690 8.690 7.976 0.714 25509 492 1 1 . 1 1 129 129 ALA N N 129 120.391 120.391 119.007 1.384 25509 493 1 1 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.176 0.107 25509 494 1 1 . 1 1 129 129 ALA C C 129 177.019 177.019 177.195 -0.176 25509 495 1 1 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.953 -0.782 25509 496 1 1 . 1 1 129 129 ALA H H 129 7.542 7.542 7.411 0.131 25509 497 1 1 . 1 1 130 130 GLY N N 130 104.533 104.533 102.627 1.906 25509 498 1 1 . 1 1 130 130 GLY C C 130 175.291 175.291 172.506 2.785 25509 499 1 1 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.467 -0.192 25509 500 1 1 . 1 1 130 130 GLY H H 130 7.760 7.760 7.574 0.186 25509 501 1 1 . 1 1 131 131 ALA N N 131 124.759 124.759 122.377 2.382 25509 502 1 1 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.462 -0.875 25509 503 1 1 . 1 1 131 131 ALA C C 131 177.045 177.045 175.851 1.194 25509 504 1 1 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.292 1.321 25509 505 1 1 . 1 1 131 131 ALA H H 131 7.543 7.543 7.497 0.046 25509 506 1 1 . 1 1 132 132 THR N N 132 120.565 120.565 116.622 3.943 25509 507 1 1 . 1 1 132 132 THR HA H 132 4.293 4.293 4.571 -0.278 25509 508 1 1 . 1 1 132 132 THR C C 132 172.940 172.940 173.021 -0.081 25509 509 1 1 . 1 1 132 132 THR CA C 132 62.285 62.285 61.776 0.509 25509 510 1 1 . 1 1 132 132 THR H H 132 7.983 7.983 8.820 -0.837 25509 511 1 1 . 1 1 133 133 ILE N N 133 128.874 128.874 126.926 1.948 25509 512 1 1 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.878 -0.173 25509 513 1 1 . 1 1 133 133 ILE C C 133 173.707 173.707 174.857 -1.150 25509 514 1 1 . 1 1 133 133 ILE CA C 133 59.898 59.898 60.002 -0.104 25509 515 1 1 . 1 1 133 133 ILE H H 133 8.641 8.641 8.592 0.049 25509 516 1 1 . 1 1 134 134 LYS N N 134 125.904 125.904 126.712 -0.808 25509 517 1 1 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.627 -0.137 25509 518 1 1 . 1 1 134 134 LYS C C 134 174.736 174.736 174.335 0.401 25509 519 1 1 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.694 0.212 25509 520 1 1 . 1 1 134 134 LYS H H 134 8.878 8.878 8.397 0.481 25509 521 1 1 . 1 1 135 135 ILE N N 135 121.444 121.444 122.772 -1.328 25509 522 1 1 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.346 0.298 25509 523 1 1 . 1 1 135 135 ILE C C 135 177.563 177.563 177.381 0.182 25509 524 1 1 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.843 -4.009 25509 525 1 1 . 1 1 135 135 ILE H H 135 8.601 8.601 8.751 -0.150 25509 526 1 1 . 1 1 136 136 MET N N 136 124.557 124.557 122.000 2.557 25509 527 1 1 . 1 1 136 136 MET HA H 136 3.741 3.741 4.656 -0.915 25509 528 1 1 . 1 1 136 136 MET C C 136 174.070 174.070 174.537 -0.467 25509 529 1 1 . 1 1 136 136 MET CA C 136 58.298 58.298 56.735 1.563 25509 530 1 1 . 1 1 136 136 MET H H 136 8.550 8.550 8.229 0.321 25509 531 1 1 . 1 1 137 137 ASN N N 137 126.678 126.678 122.207 4.471 25509 532 1 1 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.097 -0.089 25509 533 1 1 . 1 1 137 137 ASN C C 137 174.733 174.733 176.174 -1.441 25509 534 1 1 . 1 1 137 137 ASN CA C 137 50.894 50.894 51.804 -0.910 25509 535 1 1 . 1 1 137 137 ASN H H 137 9.480 9.480 8.327 1.153 25509 536 1 1 . 1 1 138 138 TYR N N 138 123.587 123.587 122.928 0.659 25509 537 1 1 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.516 -0.675 25509 538 1 1 . 1 1 138 138 TYR C C 138 176.154 176.154 176.852 -0.698 25509 539 1 1 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.319 1.492 25509 540 1 1 . 1 1 138 138 TYR H H 138 9.914 9.914 9.191 0.723 25509 541 1 1 . 1 1 139 139 ASP N N 139 116.024 116.024 117.556 -1.532 25509 542 1 1 . 1 1 139 139 ASP HA H 139 4.116 4.116 3.979 0.137 25509 543 1 1 . 1 1 139 139 ASP C C 139 179.067 179.067 177.826 1.241 25509 544 1 1 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.806 -0.315 25509 545 1 1 . 1 1 139 139 ASP H H 139 8.976 8.976 8.860 0.116 25509 546 1 1 . 1 1 140 140 GLU N N 140 118.087 118.087 120.176 -2.089 25509 547 1 1 . 1 1 140 140 GLU HA H 140 3.826 3.826 4.070 -0.244 25509 548 1 1 . 1 1 140 140 GLU C C 140 178.692 178.692 178.073 0.619 25509 549 1 1 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.547 2.053 25509 550 1 1 . 1 1 140 140 GLU H H 140 7.540 7.540 8.152 -0.612 25509 551 1 1 . 1 1 141 141 PHE N N 141 119.608 119.608 120.320 -0.712 25509 552 1 1 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.509 -0.721 25509 553 1 1 . 1 1 141 141 PHE C C 141 176.881 176.881 178.217 -1.336 25509 554 1 1 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.893 0.810 25509 555 1 1 . 1 1 141 141 PHE H H 141 8.032 8.032 7.622 0.410 25509 556 1 1 . 1 1 142 142 GLN N N 142 118.759 118.759 119.843 -1.084 25509 557 1 1 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.046 -0.025 25509 558 1 1 . 1 1 142 142 GLN C C 142 177.945 177.945 178.107 -0.162 25509 559 1 1 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.141 -0.362 25509 560 1 1 . 1 1 142 142 GLN H H 142 8.223 8.223 8.629 -0.406 25509 561 1 1 . 1 1 143 143 HIS N N 143 120.774 120.774 120.072 0.702 25509 562 1 1 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.433 -0.455 25509 563 1 1 . 1 1 143 143 HIS C C 143 177.147 177.147 177.341 -0.194 25509 564 1 1 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.605 -0.238 25509 565 1 1 . 1 1 143 143 HIS H H 143 7.924 7.924 7.780 0.144 25509 566 1 1 . 1 1 144 144 CYS N N 144 117.600 117.600 119.662 -2.062 25509 567 1 1 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.134 -0.296 25509 568 1 1 . 1 1 144 144 CYS C C 144 176.233 176.233 176.621 -0.388 25509 569 1 1 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.809 -0.957 25509 570 1 1 . 1 1 144 144 CYS H H 144 7.892 7.892 8.686 -0.794 25509 571 1 1 . 1 1 145 145 TRP N N 145 120.806 120.806 121.207 -0.401 25509 572 1 1 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.849 -0.580 25509 573 1 1 . 1 1 145 145 TRP C C 145 177.085 177.085 177.566 -0.481 25509 574 1 1 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.520 -1.067 25509 575 1 1 . 1 1 145 145 TRP H H 145 8.201 8.201 9.048 -0.847 25509 576 1 1 . 1 1 146 146 SER N N 146 111.555 111.555 113.288 -1.733 25509 577 1 1 . 1 1 146 146 SER C C 146 176.199 176.199 175.483 0.716 25509 578 1 1 . 1 1 146 146 SER CA C 146 60.827 60.827 61.078 -0.251 25509 579 1 1 . 1 1 146 146 SER H H 146 8.032 8.032 7.708 0.324 25509 580 1 1 . 1 1 147 147 LYS N N 147 115.563 115.563 119.147 -3.584 25509 581 1 1 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.046 -0.072 25509 582 1 1 . 1 1 147 147 LYS C C 147 177.448 177.448 178.708 -1.260 25509 583 1 1 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.694 -2.230 25509 584 1 1 . 1 1 147 147 LYS H H 147 7.684 7.684 7.635 0.049 25509 585 1 1 . 1 1 148 148 PHE N N 148 113.648 113.648 116.509 -2.861 25509 586 1 1 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.367 0.110 25509 587 1 1 . 1 1 148 148 PHE C C 148 174.293 174.293 174.753 -0.460 25509 588 1 1 . 1 1 148 148 PHE CA C 148 58.180 58.180 59.018 -0.838 25509 589 1 1 . 1 1 148 148 PHE H H 148 8.134 8.134 8.267 -0.133 25509 590 1 1 . 1 1 149 149 VAL N N 149 119.139 119.139 116.308 2.831 25509 591 1 1 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.537 0.572 25509 592 1 1 . 1 1 149 149 VAL C C 149 175.690 175.690 174.356 1.334 25509 593 1 1 . 1 1 149 149 VAL CA C 149 60.309 60.309 61.638 -1.329 25509 594 1 1 . 1 1 149 149 VAL H H 149 6.787 6.787 7.144 -0.357 25509 595 1 1 . 1 1 150 150 TYR N N 150 129.042 129.042 121.776 7.266 25509 596 1 1 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.403 0.161 25509 597 1 1 . 1 1 150 150 TYR C C 150 173.826 173.826 177.029 -3.203 25509 598 1 1 . 1 1 150 150 TYR CA C 150 55.580 55.580 59.721 -4.141 25509 599 1 1 . 1 1 150 150 TYR H H 150 8.552 8.552 7.589 0.963 25509 600 1 1 . 1 1 151 151 SER N N 151 119.931 119.931 114.607 5.324 25509 601 1 1 . 1 1 151 151 SER HA H 151 4.585 4.585 4.105 0.480 25509 602 1 1 . 1 1 151 151 SER C C 151 176.209 176.209 174.681 1.528 25509 603 1 1 . 1 1 151 151 SER CA C 151 57.497 57.497 58.808 -1.311 25509 604 1 1 . 1 1 151 151 SER H H 151 7.787 7.787 8.490 -0.703 25509 605 1 1 . 1 1 152 152 GLN N N 152 120.381 120.381 115.611 4.770 25509 606 1 1 . 1 1 152 152 GLN HA H 152 3.715 3.715 3.984 -0.269 25509 607 1 1 . 1 1 152 152 GLN C C 152 175.787 175.787 175.699 0.088 25509 608 1 1 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.924 -0.448 25509 609 1 1 . 1 1 152 152 GLN H H 152 8.386 8.386 8.684 -0.298 25509 610 1 1 . 1 1 153 153 GLY N N 153 106.086 106.086 104.835 1.251 25509 611 1 1 . 1 1 153 153 GLY C C 153 174.309 174.309 173.973 0.336 25509 612 1 1 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.334 -0.432 25509 613 1 1 . 1 1 153 153 GLY H H 153 8.047 8.047 8.239 -0.192 25509 614 1 1 . 1 1 154 154 ALA N N 154 125.790 125.790 123.054 2.736 25509 615 1 1 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.621 -0.039 25509 616 1 1 . 1 1 154 154 ALA C C 154 176.022 176.022 175.489 0.533 25509 617 1 1 . 1 1 154 154 ALA CA C 154 49.894 49.894 49.614 0.280 25509 618 1 1 . 1 1 154 154 ALA H H 154 7.562 7.562 7.764 -0.202 25509 619 1 1 . 1 1 155 155 PRO C C 155 175.578 175.578 175.347 0.231 25509 620 1 1 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.503 -0.842 25509 621 1 1 . 1 1 156 156 PHE N N 156 121.116 121.116 126.829 -5.713 25509 622 1 1 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.070 -1.724 25509 623 1 1 . 1 1 156 156 PHE C C 156 174.254 174.254 174.101 0.153 25509 624 1 1 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.415 -1.001 25509 625 1 1 . 1 1 156 156 PHE H H 156 8.288 8.288 7.881 0.407 25509 626 1 1 . 1 1 157 157 GLN N N 157 129.600 129.600 126.509 3.091 25509 627 1 1 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.623 -0.317 25509 628 1 1 . 1 1 157 157 GLN C C 157 171.628 171.628 173.981 -2.353 25509 629 1 1 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.057 -1.542 25509 630 1 1 . 1 1 157 157 GLN H H 157 7.205 7.205 8.049 -0.844 25509 631 1 1 . 1 1 158 158 PRO C C 158 175.224 175.224 175.159 0.065 25509 632 1 1 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.708 -0.985 25509 633 1 1 . 1 1 159 159 TRP N N 159 117.795 117.795 123.907 -6.112 25509 634 1 1 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.805 -0.107 25509 635 1 1 . 1 1 159 159 TRP C C 159 175.906 175.906 176.869 -0.963 25509 636 1 1 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.988 -2.460 25509 637 1 1 . 1 1 159 159 TRP H H 159 5.628 5.628 7.576 -1.948 25509 638 1 1 . 1 1 160 160 ASP N N 160 122.363 122.363 122.978 -0.615 25509 639 1 1 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.613 -0.290 25509 640 1 1 . 1 1 160 160 ASP C C 160 177.598 177.598 176.131 1.467 25509 641 1 1 . 1 1 160 160 ASP CA C 160 55.395 55.395 53.599 1.796 25509 642 1 1 . 1 1 160 160 ASP H H 160 8.766 8.766 8.558 0.208 25509 643 1 1 . 1 1 161 161 GLY N N 161 111.982 111.982 107.396 4.586 25509 644 1 1 . 1 1 161 161 GLY C C 161 173.833 173.833 174.909 -1.076 25509 645 1 1 . 1 1 161 161 GLY CA C 161 45.382 45.382 44.990 0.392 25509 646 1 1 . 1 1 161 161 GLY H H 161 8.887 8.887 7.916 0.971 25509 647 1 1 . 1 1 162 162 LEU N N 162 121.971 121.971 121.389 0.582 25509 648 1 1 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.188 0.084 25509 649 1 1 . 1 1 162 162 LEU C C 162 179.345 179.345 177.419 1.926 25509 650 1 1 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.782 2.772 25509 651 1 1 . 1 1 162 162 LEU H H 162 7.078 7.078 8.198 -1.120 25509 652 1 1 . 1 1 163 163 ASP N N 163 118.366 118.366 118.806 -0.440 25509 653 1 1 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.513 -0.054 25509 654 1 1 . 1 1 163 163 ASP C C 163 178.182 178.182 178.607 -0.425 25509 655 1 1 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.322 -0.213 25509 656 1 1 . 1 1 163 163 ASP H H 163 8.679 8.679 8.456 0.223 25509 657 1 1 . 1 1 164 164 GLU N N 164 121.998 121.998 118.866 3.132 25509 658 1 1 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.327 -0.392 25509 659 1 1 . 1 1 164 164 GLU C C 164 180.355 180.355 179.216 1.139 25509 660 1 1 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.070 0.544 25509 661 1 1 . 1 1 164 164 GLU H H 164 8.374 8.374 8.614 -0.240 25509 662 1 1 . 1 1 165 165 HIS N N 165 120.268 120.268 119.177 1.091 25509 663 1 1 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.546 0.056 25509 664 1 1 . 1 1 165 165 HIS C C 165 178.924 178.924 177.891 1.033 25509 665 1 1 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.226 0.167 25509 666 1 1 . 1 1 165 165 HIS H H 165 8.707 8.707 8.470 0.237 25509 667 1 1 . 1 1 166 166 SER N N 166 118.252 118.252 116.606 1.646 25509 668 1 1 . 1 1 166 166 SER HA H 166 4.400 4.400 4.440 -0.040 25509 669 1 1 . 1 1 166 166 SER C C 166 177.421 177.421 176.321 1.100 25509 670 1 1 . 1 1 166 166 SER CA C 166 63.202 63.202 62.588 0.614 25509 671 1 1 . 1 1 166 166 SER H H 166 8.649 8.649 8.653 -0.004 25509 672 1 1 . 1 1 167 167 GLN N N 167 121.647 121.647 119.741 1.906 25509 673 1 1 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.218 -0.042 25509 674 1 1 . 1 1 167 167 GLN C C 167 179.643 179.643 177.935 1.708 25509 675 1 1 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.349 0.433 25509 676 1 1 . 1 1 167 167 GLN H H 167 8.645 8.645 8.137 0.508 25509 677 1 1 . 1 1 168 168 ALA N N 168 124.242 124.242 123.192 1.050 25509 678 1 1 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.057 0.192 25509 679 1 1 . 1 1 168 168 ALA C C 168 181.949 181.949 179.488 2.461 25509 680 1 1 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.748 0.132 25509 681 1 1 . 1 1 168 168 ALA H H 168 8.092 8.092 7.635 0.457 25509 682 1 1 . 1 1 169 169 LEU N N 169 120.509 120.509 118.169 2.340 25509 683 1 1 . 1 1 169 169 LEU HA H 169 4.087 4.087 3.977 0.110 25509 684 1 1 . 1 1 169 169 LEU C C 169 179.159 179.159 178.894 0.265 25509 685 1 1 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.163 0.440 25509 686 1 1 . 1 1 169 169 LEU H H 169 8.526 8.526 8.198 0.328 25509 687 1 1 . 1 1 170 170 SER N N 170 117.410 117.410 115.128 2.282 25509 688 1 1 . 1 1 170 170 SER HA H 170 4.128 4.128 4.167 -0.039 25509 689 1 1 . 1 1 170 170 SER C C 170 178.370 178.370 177.022 1.348 25509 690 1 1 . 1 1 170 170 SER CA C 170 62.240 62.240 62.328 -0.088 25509 691 1 1 . 1 1 170 170 SER H H 170 8.853 8.853 8.066 0.787 25509 692 1 1 . 1 1 171 171 GLY N N 171 111.058 111.058 108.400 2.658 25509 693 1 1 . 1 1 171 171 GLY C C 171 176.376 176.376 175.991 0.385 25509 694 1 1 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.789 -0.116 25509 695 1 1 . 1 1 171 171 GLY H H 171 8.175 8.175 7.995 0.180 25509 696 1 1 . 1 1 172 172 ARG N N 172 123.131 123.131 120.946 2.185 25509 697 1 1 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.088 0.103 25509 698 1 1 . 1 1 172 172 ARG C C 172 178.807 178.807 178.556 0.251 25509 699 1 1 . 1 1 172 172 ARG CA C 172 58.189 58.189 56.980 1.209 25509 700 1 1 . 1 1 172 172 ARG H H 172 7.578 7.578 7.480 0.098 25509 701 1 1 . 1 1 173 173 LEU N N 173 120.594 120.594 120.664 -0.070 25509 702 1 1 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.273 -0.281 25509 703 1 1 . 1 1 173 173 LEU C C 173 178.396 178.396 178.355 0.041 25509 704 1 1 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.282 -0.821 25509 705 1 1 . 1 1 173 173 LEU H H 173 8.813 8.813 7.813 1.000 25509 706 1 1 . 1 1 174 174 GLY N N 174 105.456 105.456 106.278 -0.822 25509 707 1 1 . 1 1 174 174 GLY C C 174 176.170 176.170 176.031 0.139 25509 708 1 1 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.712 -0.071 25509 709 1 1 . 1 1 174 174 GLY H H 174 8.221 8.221 7.839 0.382 25509 710 1 1 . 1 1 175 175 GLU N N 175 120.171 120.171 121.548 -1.377 25509 711 1 1 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.248 -0.168 25509 712 1 1 . 1 1 175 175 GLU C C 175 179.100 179.100 179.098 0.002 25509 713 1 1 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.041 0.409 25509 714 1 1 . 1 1 175 175 GLU H H 175 7.478 7.478 7.650 -0.172 25509 715 1 1 . 1 1 176 176 ILE N N 176 119.642 119.642 119.996 -0.354 25509 716 1 1 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.991 -0.311 25509 717 1 1 . 1 1 176 176 ILE C C 176 177.560 177.560 178.195 -0.635 25509 718 1 1 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.642 -1.166 25509 719 1 1 . 1 1 176 176 ILE H H 176 7.755 7.755 7.632 0.123 25509 720 1 1 . 1 1 177 177 LEU N N 177 116.019 116.019 116.241 -0.222 25509 721 1 1 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.265 -0.174 25509 722 1 1 . 1 1 177 177 LEU C C 177 177.520 177.520 177.321 0.199 25509 723 1 1 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.520 -1.268 25509 724 1 1 . 1 1 177 177 LEU H H 177 8.067 8.067 7.540 0.527 25509 725 1 1 . 1 1 178 178 ARG N N 178 118.755 118.755 117.219 1.536 25509 726 1 1 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.249 -0.110 25509 727 1 1 . 1 1 178 178 ARG C C 178 175.953 175.953 176.834 -0.881 25509 728 1 1 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.424 -0.741 25509 729 1 1 . 1 1 178 178 ARG H H 178 7.566 7.566 7.670 -0.104 25509 730 1 1 . 1 1 179 179 HIS N N 179 120.648 120.648 119.119 1.529 25509 731 1 1 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.599 0.013 25509 732 1 1 . 1 1 179 179 HIS C C 179 174.365 174.365 173.989 0.376 25509 733 1 1 . 1 1 179 179 HIS CA C 179 55.781 55.781 55.863 -0.082 25509 734 1 1 . 1 1 179 179 HIS H H 179 8.140 8.140 8.031 0.109 25509 735 1 2 . 1 1 2 2 ASP N N 2 123.241 123.241 121.788 1.453 25509 736 1 2 . 1 1 2 2 ASP C C 2 174.657 174.657 174.364 0.293 25509 737 1 2 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.019 0.081 25509 738 1 2 . 1 1 2 2 ASP H H 2 8.114 8.114 8.023 0.091 25509 739 1 2 . 1 1 3 3 PRO C C 3 178.464 178.464 175.825 2.639 25509 740 1 2 . 1 1 3 3 PRO CA C 3 66.499 66.499 62.776 3.723 25509 741 1 2 . 1 1 4 4 ASP N N 4 118.258 118.258 122.292 -4.034 25509 742 1 2 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.601 -0.153 25509 743 1 2 . 1 1 4 4 ASP C C 4 178.808 178.808 177.698 1.110 25509 744 1 2 . 1 1 4 4 ASP CA C 4 57.247 57.247 55.700 1.547 25509 745 1 2 . 1 1 4 4 ASP H H 4 8.509 8.509 8.746 -0.237 25509 746 1 2 . 1 1 5 5 THR N N 5 119.780 119.780 117.199 2.581 25509 747 1 2 . 1 1 5 5 THR HA H 5 3.859 3.859 4.446 -0.587 25509 748 1 2 . 1 1 5 5 THR C C 5 177.699 177.699 176.663 1.036 25509 749 1 2 . 1 1 5 5 THR CA C 5 66.182 66.182 66.109 0.073 25509 750 1 2 . 1 1 5 5 THR H H 5 8.150 8.150 8.422 -0.272 25509 751 1 2 . 1 1 6 6 PHE N N 6 124.329 124.329 122.595 1.734 25509 752 1 2 . 1 1 6 6 PHE HA H 6 4.204 4.204 5.057 -0.853 25509 753 1 2 . 1 1 6 6 PHE C C 6 176.665 176.665 177.585 -0.920 25509 754 1 2 . 1 1 6 6 PHE CA C 6 61.800 61.800 60.604 1.196 25509 755 1 2 . 1 1 6 6 PHE H H 6 8.297 8.297 8.235 0.062 25509 756 1 2 . 1 1 7 7 SER N N 7 116.185 116.185 113.001 3.184 25509 757 1 2 . 1 1 7 7 SER C C 7 176.138 176.138 175.405 0.733 25509 758 1 2 . 1 1 7 7 SER CA C 7 61.480 61.480 60.821 0.659 25509 759 1 2 . 1 1 7 7 SER H H 7 8.752 8.752 8.482 0.270 25509 760 1 2 . 1 1 8 8 TYR N N 8 118.689 118.689 119.204 -0.515 25509 761 1 2 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.522 -0.475 25509 762 1 2 . 1 1 8 8 TYR C C 8 177.077 177.077 176.122 0.955 25509 763 1 2 . 1 1 8 8 TYR CA C 8 60.282 60.282 60.872 -0.590 25509 764 1 2 . 1 1 8 8 TYR H H 8 7.967 7.967 7.629 0.338 25509 765 1 2 . 1 1 9 9 ASN N N 9 113.034 113.034 116.106 -3.072 25509 766 1 2 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.554 -0.324 25509 767 1 2 . 1 1 9 9 ASN C C 9 175.101 175.101 176.493 -1.392 25509 768 1 2 . 1 1 9 9 ASN CA C 9 56.087 56.087 54.034 2.053 25509 769 1 2 . 1 1 9 9 ASN H H 9 7.577 7.577 8.437 -0.860 25509 770 1 2 . 1 1 10 10 PHE N N 10 117.719 117.719 117.830 -0.111 25509 771 1 2 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.405 -0.529 25509 772 1 2 . 1 1 10 10 PHE C C 10 171.880 171.880 175.332 -3.452 25509 773 1 2 . 1 1 10 10 PHE CA C 10 58.762 58.762 59.059 -0.297 25509 774 1 2 . 1 1 10 10 PHE H H 10 8.655 8.655 7.417 1.238 25509 775 1 2 . 1 1 11 11 ASN N N 11 114.885 114.885 118.737 -3.852 25509 776 1 2 . 1 1 11 11 ASN C C 11 174.730 174.730 173.976 0.754 25509 777 1 2 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.890 -0.451 25509 778 1 2 . 1 1 11 11 ASN H H 11 6.097 6.097 7.598 -1.501 25509 779 1 2 . 1 1 12 12 ASN N N 12 121.039 121.039 119.480 1.559 25509 780 1 2 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.820 -0.455 25509 781 1 2 . 1 1 12 12 ASN C C 12 174.578 174.578 174.742 -0.164 25509 782 1 2 . 1 1 12 12 ASN CA C 12 51.417 51.417 54.247 -2.830 25509 783 1 2 . 1 1 12 12 ASN H H 12 6.688 6.688 8.632 -1.944 25509 784 1 2 . 1 1 13 13 ARG N N 13 119.646 119.646 121.415 -1.769 25509 785 1 2 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.476 -0.888 25509 786 1 2 . 1 1 13 13 ARG C C 13 175.049 175.049 173.964 1.085 25509 787 1 2 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.707 1.623 25509 788 1 2 . 1 1 13 13 ARG H H 13 7.589 7.589 7.909 -0.320 25509 789 1 2 . 1 1 14 14 PRO C C 14 176.477 176.477 176.780 -0.303 25509 790 1 2 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.572 0.609 25509 791 1 2 . 1 1 15 15 ILE N N 15 120.304 120.304 123.863 -3.559 25509 792 1 2 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.719 0.564 25509 793 1 2 . 1 1 15 15 ILE C C 15 175.956 175.956 176.978 -1.022 25509 794 1 2 . 1 1 15 15 ILE CA C 15 60.026 60.026 63.382 -3.356 25509 795 1 2 . 1 1 15 15 ILE H H 15 7.827 7.827 8.268 -0.441 25509 796 1 2 . 1 1 16 16 LEU N N 16 124.585 124.585 114.101 10.484 25509 797 1 2 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.553 -0.252 25509 798 1 2 . 1 1 16 16 LEU C C 16 177.213 177.213 175.887 1.326 25509 799 1 2 . 1 1 16 16 LEU CA C 16 55.089 55.089 53.996 1.093 25509 800 1 2 . 1 1 16 16 LEU H H 16 8.283 8.283 7.438 0.845 25509 801 1 2 . 1 1 17 17 SER N N 17 115.176 115.176 115.097 0.079 25509 802 1 2 . 1 1 17 17 SER C C 17 173.733 173.733 174.718 -0.985 25509 803 1 2 . 1 1 17 17 SER CA C 17 57.371 57.371 58.710 -1.339 25509 804 1 2 . 1 1 17 17 SER H H 17 7.782 7.782 8.192 -0.410 25509 805 1 2 . 1 1 18 18 ARG N N 18 122.072 122.072 123.027 -0.955 25509 806 1 2 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.292 -0.088 25509 807 1 2 . 1 1 18 18 ARG C C 18 176.524 176.524 176.619 -0.095 25509 808 1 2 . 1 1 18 18 ARG CA C 18 55.944 55.944 57.154 -1.210 25509 809 1 2 . 1 1 18 18 ARG H H 18 8.318 8.318 8.261 0.057 25509 810 1 2 . 1 1 21 21 THR HA H 21 4.574 4.574 4.675 -0.101 25509 811 1 2 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.719 -0.689 25509 812 1 2 . 1 1 22 22 VAL CA C 22 61.772 61.772 62.080 -0.308 25509 813 1 2 . 1 1 24 24 LEU HA H 24 5.079 5.079 4.732 0.347 25509 814 1 2 . 1 1 24 24 LEU C C 24 174.326 174.326 175.868 -1.542 25509 815 1 2 . 1 1 24 24 LEU CA C 24 54.203 54.203 53.755 0.447 25509 816 1 2 . 1 1 25 25 CYS N N 25 126.908 126.908 119.788 7.120 25509 817 1 2 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.069 -0.370 25509 818 1 2 . 1 1 25 25 CYS C C 25 173.285 173.285 174.227 -0.942 25509 819 1 2 . 1 1 25 25 CYS CA C 25 57.086 57.086 56.681 0.405 25509 820 1 2 . 1 1 25 25 CYS H H 25 9.325 9.325 8.211 1.114 25509 821 1 2 . 1 1 26 26 TYR N N 26 120.745 120.745 119.922 0.823 25509 822 1 2 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.571 0.729 25509 823 1 2 . 1 1 26 26 TYR C C 26 173.449 173.449 173.854 -0.405 25509 824 1 2 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.931 -0.349 25509 825 1 2 . 1 1 26 26 TYR H H 26 9.039 9.039 8.373 0.666 25509 826 1 2 . 1 1 27 27 GLU N N 27 118.222 118.222 120.818 -2.596 25509 827 1 2 . 1 1 27 27 GLU C C 27 175.348 175.348 176.109 -0.761 25509 828 1 2 . 1 1 27 27 GLU CA C 27 54.548 54.548 54.808 -0.260 25509 829 1 2 . 1 1 27 27 GLU H H 27 9.358 9.358 8.837 0.521 25509 830 1 2 . 1 1 28 28 VAL N N 28 124.182 124.182 127.203 -3.021 25509 831 1 2 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.492 0.422 25509 832 1 2 . 1 1 28 28 VAL C C 28 174.085 174.085 175.253 -1.168 25509 833 1 2 . 1 1 28 28 VAL CA C 28 61.231 61.231 63.225 -1.994 25509 834 1 2 . 1 1 28 28 VAL H H 28 9.479 9.479 9.049 0.430 25509 835 1 2 . 1 1 29 29 LYS N N 29 127.566 127.566 127.183 0.383 25509 836 1 2 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.666 0.725 25509 837 1 2 . 1 1 29 29 LYS C C 29 175.631 175.631 174.778 0.853 25509 838 1 2 . 1 1 29 29 LYS CA C 29 54.136 54.136 54.476 -0.340 25509 839 1 2 . 1 1 29 29 LYS H H 29 9.151 9.151 9.027 0.124 25509 840 1 2 . 1 1 30 30 THR N N 30 118.721 118.721 111.926 6.795 25509 841 1 2 . 1 1 30 30 THR HA H 30 4.617 4.617 4.069 0.548 25509 842 1 2 . 1 1 30 30 THR C C 30 173.948 173.948 175.216 -1.268 25509 843 1 2 . 1 1 30 30 THR CA C 30 61.228 61.228 60.006 1.222 25509 844 1 2 . 1 1 30 30 THR H H 30 8.615 8.615 8.359 0.256 25509 845 1 2 . 1 1 31 31 LYS N N 31 125.634 125.634 120.770 4.864 25509 846 1 2 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.045 -0.177 25509 847 1 2 . 1 1 31 31 LYS C C 31 176.799 176.799 177.338 -0.539 25509 848 1 2 . 1 1 31 31 LYS CA C 31 56.250 56.250 58.099 -1.849 25509 849 1 2 . 1 1 31 31 LYS H H 31 8.400 8.400 8.098 0.302 25509 850 1 2 . 1 1 32 32 GLY N N 32 111.069 111.069 108.801 2.268 25509 851 1 2 . 1 1 32 32 GLY C C 32 171.007 171.007 172.417 -1.410 25509 852 1 2 . 1 1 32 32 GLY CA C 32 44.006 44.006 42.419 1.587 25509 853 1 2 . 1 1 32 32 GLY H H 32 8.170 8.170 8.116 0.054 25509 854 1 2 . 1 1 33 33 PRO C C 33 176.964 176.964 176.613 0.351 25509 855 1 2 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.587 0.088 25509 856 1 2 . 1 1 34 34 SER N N 34 117.301 117.301 117.764 -0.463 25509 857 1 2 . 1 1 34 34 SER HA H 34 4.372 4.372 4.564 -0.192 25509 858 1 2 . 1 1 34 34 SER C C 34 173.728 173.728 174.561 -0.833 25509 859 1 2 . 1 1 34 34 SER CA C 34 57.933 57.933 57.674 0.259 25509 860 1 2 . 1 1 34 34 SER H H 34 8.383 8.383 8.486 -0.103 25509 861 1 2 . 1 1 35 35 ARG N N 35 123.829 123.829 121.936 1.893 25509 862 1 2 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.496 0.076 25509 863 1 2 . 1 1 35 35 ARG C C 35 173.256 173.256 175.747 -2.491 25509 864 1 2 . 1 1 35 35 ARG CA C 35 53.217 53.217 55.382 -2.164 25509 865 1 2 . 1 1 35 35 ARG H H 35 8.153 8.153 8.697 -0.544 25509 866 1 2 . 1 1 37 37 PRO C C 37 176.060 176.060 177.624 -1.564 25509 867 1 2 . 1 1 37 37 PRO CA C 37 63.234 63.234 64.017 -0.783 25509 868 1 2 . 1 1 38 38 LEU N N 38 126.508 126.508 119.046 7.462 25509 869 1 2 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.457 -0.318 25509 870 1 2 . 1 1 38 38 LEU C C 38 176.490 176.490 176.415 0.075 25509 871 1 2 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.180 1.022 25509 872 1 2 . 1 1 38 38 LEU H H 38 8.347 8.347 7.530 0.817 25509 873 1 2 . 1 1 39 39 ASP N N 39 120.060 120.060 118.058 2.002 25509 874 1 2 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.833 -0.462 25509 875 1 2 . 1 1 39 39 ASP C C 39 175.525 175.525 176.885 -1.360 25509 876 1 2 . 1 1 39 39 ASP CA C 39 53.948 53.948 54.917 -0.969 25509 877 1 2 . 1 1 39 39 ASP H H 39 8.299 8.299 8.384 -0.085 25509 878 1 2 . 1 1 40 40 ALA N N 40 123.020 123.020 121.588 1.432 25509 879 1 2 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.440 -0.074 25509 880 1 2 . 1 1 40 40 ALA C C 40 177.243 177.243 176.403 0.840 25509 881 1 2 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.810 -1.227 25509 882 1 2 . 1 1 40 40 ALA H H 40 7.972 7.972 8.051 -0.079 25509 883 1 2 . 1 1 41 41 LYS N N 41 120.582 120.582 120.825 -0.243 25509 884 1 2 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.732 -0.382 25509 885 1 2 . 1 1 41 41 LYS C C 41 175.874 175.874 175.081 0.793 25509 886 1 2 . 1 1 41 41 LYS CA C 41 56.520 56.520 56.189 0.331 25509 887 1 2 . 1 1 41 41 LYS H H 41 8.286 8.286 8.665 -0.379 25509 888 1 2 . 1 1 42 42 ILE N N 42 119.815 119.815 120.908 -1.093 25509 889 1 2 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.730 0.148 25509 890 1 2 . 1 1 42 42 ILE C C 42 174.828 174.828 175.980 -1.152 25509 891 1 2 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.911 -1.033 25509 892 1 2 . 1 1 42 42 ILE H H 42 7.830 7.830 7.957 -0.127 25509 893 1 2 . 1 1 43 43 PHE N N 43 126.131 126.131 128.093 -1.962 25509 894 1 2 . 1 1 43 43 PHE HA H 43 4.885 4.885 5.085 -0.200 25509 895 1 2 . 1 1 43 43 PHE C C 43 173.801 173.801 173.924 -0.123 25509 896 1 2 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.601 -0.328 25509 897 1 2 . 1 1 43 43 PHE H H 43 8.780 8.780 8.807 -0.027 25509 898 1 2 . 1 1 44 44 ARG N N 44 122.879 122.879 120.529 2.350 25509 899 1 2 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.238 0.268 25509 900 1 2 . 1 1 44 44 ARG C C 44 175.196 175.196 174.958 0.238 25509 901 1 2 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.387 -0.120 25509 902 1 2 . 1 1 44 44 ARG H H 44 8.368 8.368 7.433 0.935 25509 903 1 2 . 1 1 45 45 GLY N N 45 108.917 108.917 105.511 3.406 25509 904 1 2 . 1 1 45 45 GLY C C 45 169.838 169.838 172.076 -2.238 25509 905 1 2 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.090 0.751 25509 906 1 2 . 1 1 45 45 GLY H H 45 7.714 7.714 7.937 -0.223 25509 907 1 2 . 1 1 46 46 GLN N N 46 113.774 113.774 121.916 -8.142 25509 908 1 2 . 1 1 46 46 GLN HA H 46 5.607 5.607 4.625 0.982 25509 909 1 2 . 1 1 46 46 GLN C C 46 174.884 174.884 174.935 -0.051 25509 910 1 2 . 1 1 46 46 GLN CA C 46 53.906 53.906 55.355 -1.449 25509 911 1 2 . 1 1 46 46 GLN H H 46 8.411 8.411 8.497 -0.086 25509 912 1 2 . 1 1 47 47 VAL N N 47 120.282 120.282 121.001 -0.719 25509 913 1 2 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.580 -0.205 25509 914 1 2 . 1 1 47 47 VAL C C 47 172.005 172.005 173.321 -1.316 25509 915 1 2 . 1 1 47 47 VAL CA C 47 59.977 59.977 59.939 0.038 25509 916 1 2 . 1 1 47 47 VAL H H 47 9.499 9.499 8.068 1.431 25509 917 1 2 . 1 1 49 49 SER C C 49 173.486 173.486 175.532 -2.046 25509 918 1 2 . 1 1 49 49 SER CA C 49 57.077 57.077 59.459 -2.382 25509 919 1 2 . 1 1 50 50 GLU N N 50 123.998 123.998 121.840 2.158 25509 920 1 2 . 1 1 50 50 GLU C C 50 175.276 175.276 175.028 0.248 25509 921 1 2 . 1 1 50 50 GLU CA C 50 54.505 54.505 55.528 -1.023 25509 922 1 2 . 1 1 50 50 GLU H H 50 8.748 8.748 8.228 0.520 25509 923 1 2 . 1 1 51 51 ASP N N 51 123.737 123.737 118.234 5.503 25509 924 1 2 . 1 1 51 51 ASP C C 51 176.320 176.320 176.220 0.100 25509 925 1 2 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.456 -0.546 25509 926 1 2 . 1 1 51 51 ASP H H 51 8.479 8.479 7.668 0.811 25509 927 1 2 . 1 1 52 52 LYS N N 52 114.578 114.578 120.452 -5.874 25509 928 1 2 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.213 -0.081 25509 929 1 2 . 1 1 52 52 LYS C C 52 175.538 175.538 176.593 -1.055 25509 930 1 2 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.773 -0.684 25509 931 1 2 . 1 1 52 52 LYS H H 52 7.677 7.677 8.605 -0.928 25509 932 1 2 . 1 1 53 53 TYR N N 53 124.836 124.836 119.088 5.748 25509 933 1 2 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.696 0.074 25509 934 1 2 . 1 1 53 53 TYR C C 53 175.498 175.498 174.908 0.590 25509 935 1 2 . 1 1 53 53 TYR CA C 53 53.507 53.507 56.882 -3.375 25509 936 1 2 . 1 1 53 53 TYR H H 53 8.490 8.490 7.910 0.580 25509 937 1 2 . 1 1 54 54 HIS N N 54 128.974 128.974 121.422 7.552 25509 938 1 2 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.726 0.030 25509 939 1 2 . 1 1 54 54 HIS C C 54 174.123 174.123 174.764 -0.641 25509 940 1 2 . 1 1 54 54 HIS CA C 54 53.734 53.734 53.969 -0.235 25509 941 1 2 . 1 1 54 54 HIS H H 54 8.622 8.622 8.367 0.255 25509 942 1 2 . 1 1 56 56 GLU C C 56 178.356 178.356 177.251 1.105 25509 943 1 2 . 1 1 56 56 GLU CA C 56 60.597 60.597 59.650 0.947 25509 944 1 2 . 1 1 57 57 MET N N 57 113.971 113.971 114.637 -0.666 25509 945 1 2 . 1 1 57 57 MET HA H 57 4.433 4.433 4.596 -0.163 25509 946 1 2 . 1 1 57 57 MET C C 57 180.454 180.454 177.872 2.582 25509 947 1 2 . 1 1 57 57 MET CA C 57 55.453 55.453 57.029 -1.576 25509 948 1 2 . 1 1 57 57 MET H H 57 6.807 6.807 7.912 -1.105 25509 949 1 2 . 1 1 58 58 ARG N N 58 123.367 123.367 120.611 2.756 25509 950 1 2 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.081 -0.317 25509 951 1 2 . 1 1 58 58 ARG C C 58 179.588 179.588 177.744 1.844 25509 952 1 2 . 1 1 58 58 ARG CA C 58 58.505 58.505 59.493 -0.988 25509 953 1 2 . 1 1 58 58 ARG H H 58 7.658 7.658 7.794 -0.136 25509 954 1 2 . 1 1 59 59 PHE N N 59 121.256 121.256 119.464 1.792 25509 955 1 2 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.242 -0.684 25509 956 1 2 . 1 1 59 59 PHE C C 59 175.915 175.915 175.853 0.062 25509 957 1 2 . 1 1 59 59 PHE CA C 59 61.355 61.355 58.951 2.404 25509 958 1 2 . 1 1 59 59 PHE H H 59 8.925 8.925 7.478 1.447 25509 959 1 2 . 1 1 60 60 LEU N N 60 118.280 118.280 118.566 -0.286 25509 960 1 2 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.737 -0.265 25509 961 1 2 . 1 1 60 60 LEU C C 60 179.572 179.572 178.443 1.129 25509 962 1 2 . 1 1 60 60 LEU CA C 60 57.365 57.365 57.153 0.212 25509 963 1 2 . 1 1 60 60 LEU H H 60 7.587 7.587 7.240 0.347 25509 964 1 2 . 1 1 61 61 SER N N 61 115.099 115.099 115.090 0.009 25509 965 1 2 . 1 1 61 61 SER HA H 61 4.053 4.053 4.093 -0.040 25509 966 1 2 . 1 1 61 61 SER C C 61 176.822 176.822 176.294 0.528 25509 967 1 2 . 1 1 61 61 SER CA C 61 60.923 60.923 61.838 -0.915 25509 968 1 2 . 1 1 61 61 SER H H 61 7.479 7.479 7.711 -0.232 25509 969 1 2 . 1 1 62 62 LEU N N 62 123.881 123.881 118.067 5.814 25509 970 1 2 . 1 1 62 62 LEU HA H 62 3.394 3.394 4.018 -0.624 25509 971 1 2 . 1 1 62 62 LEU C C 62 177.319 177.319 177.487 -0.168 25509 972 1 2 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.572 -0.695 25509 973 1 2 . 1 1 62 62 LEU H H 62 7.302 7.302 7.372 -0.070 25509 974 1 2 . 1 1 63 63 VAL N N 63 115.745 115.745 118.133 -2.388 25509 975 1 2 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.131 -0.452 25509 976 1 2 . 1 1 63 63 VAL C C 63 178.913 178.913 178.162 0.751 25509 977 1 2 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.984 -1.417 25509 978 1 2 . 1 1 63 63 VAL H H 63 7.039 7.039 7.364 -0.325 25509 979 1 2 . 1 1 64 64 SER N N 64 114.324 114.324 112.848 1.476 25509 980 1 2 . 1 1 64 64 SER C C 64 176.376 176.376 175.654 0.722 25509 981 1 2 . 1 1 64 64 SER CA C 64 60.925 60.925 60.529 0.396 25509 982 1 2 . 1 1 64 64 SER H H 64 7.205 7.205 7.244 -0.039 25509 983 1 2 . 1 1 65 65 LYS N N 65 121.823 121.823 119.055 2.768 25509 984 1 2 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.276 -0.201 25509 985 1 2 . 1 1 65 65 LYS C C 65 178.346 178.346 177.624 0.722 25509 986 1 2 . 1 1 65 65 LYS CA C 65 57.294 57.294 57.316 -0.022 25509 987 1 2 . 1 1 65 65 LYS H H 65 7.294 7.294 8.003 -0.709 25509 988 1 2 . 1 1 66 66 TRP N N 66 120.291 120.291 120.196 0.095 25509 989 1 2 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.545 -0.071 25509 990 1 2 . 1 1 66 66 TRP CA C 66 56.009 56.009 58.062 -2.053 25509 991 1 2 . 1 1 66 66 TRP H H 66 7.834 7.834 7.747 0.087 25509 992 1 2 . 1 1 69 69 HIS C C 69 176.475 176.475 175.344 1.131 25509 993 1 2 . 1 1 69 69 HIS CA C 69 56.029 56.029 56.309 -0.280 25509 994 1 2 . 1 1 70 70 ARG N N 70 121.733 121.733 122.341 -0.608 25509 995 1 2 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.240 -0.743 25509 996 1 2 . 1 1 70 70 ARG C C 70 175.806 175.806 175.447 0.359 25509 997 1 2 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.713 0.629 25509 998 1 2 . 1 1 70 70 ARG H H 70 8.527 8.527 8.583 -0.056 25509 999 1 2 . 1 1 71 71 ASP N N 71 116.800 116.800 123.280 -6.480 25509 1000 1 2 . 1 1 71 71 ASP C C 71 175.213 175.213 176.465 -1.252 25509 1001 1 2 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.641 -2.614 25509 1002 1 2 . 1 1 71 71 ASP H H 71 8.599 8.599 8.597 0.002 25509 1003 1 2 . 1 1 72 72 GLN N N 72 119.761 119.761 118.018 1.743 25509 1004 1 2 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.531 -0.009 25509 1005 1 2 . 1 1 72 72 GLN C C 72 172.972 172.972 174.679 -1.707 25509 1006 1 2 . 1 1 72 72 GLN CA C 72 53.807 53.807 56.087 -2.280 25509 1007 1 2 . 1 1 72 72 GLN H H 72 7.629 7.629 8.753 -1.124 25509 1008 1 2 . 1 1 73 73 GLU N N 73 117.994 117.994 118.278 -0.284 25509 1009 1 2 . 1 1 73 73 GLU C C 73 176.011 176.011 174.800 1.211 25509 1010 1 2 . 1 1 73 73 GLU CA C 73 54.896 54.896 54.620 0.276 25509 1011 1 2 . 1 1 73 73 GLU H H 73 7.984 7.984 8.149 -0.165 25509 1012 1 2 . 1 1 74 74 TYR N N 74 120.098 120.098 120.336 -0.238 25509 1013 1 2 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.701 0.422 25509 1014 1 2 . 1 1 74 74 TYR C C 74 174.675 174.675 173.423 1.252 25509 1015 1 2 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.358 -0.616 25509 1016 1 2 . 1 1 74 74 TYR H H 74 8.860 8.860 7.953 0.907 25509 1017 1 2 . 1 1 75 75 GLU N N 75 123.539 123.539 122.195 1.344 25509 1018 1 2 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.131 -0.238 25509 1019 1 2 . 1 1 75 75 GLU C C 75 175.614 175.614 174.395 1.219 25509 1020 1 2 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.177 0.394 25509 1021 1 2 . 1 1 75 75 GLU H H 75 9.321 9.321 8.656 0.665 25509 1022 1 2 . 1 1 76 76 VAL N N 76 128.647 128.647 127.106 1.541 25509 1023 1 2 . 1 1 76 76 VAL HA H 76 5.186 5.186 4.993 0.193 25509 1024 1 2 . 1 1 76 76 VAL C C 76 175.004 175.004 174.954 0.050 25509 1025 1 2 . 1 1 76 76 VAL CA C 76 60.376 60.376 60.118 0.258 25509 1026 1 2 . 1 1 76 76 VAL H H 76 9.399 9.399 8.994 0.405 25509 1027 1 2 . 1 1 77 77 THR N N 77 126.297 126.297 122.935 3.362 25509 1028 1 2 . 1 1 77 77 THR HA H 77 5.223 5.223 4.471 0.752 25509 1029 1 2 . 1 1 77 77 THR C C 77 173.353 173.353 173.276 0.077 25509 1030 1 2 . 1 1 77 77 THR CA C 77 61.442 61.442 61.973 -0.531 25509 1031 1 2 . 1 1 77 77 THR H H 77 9.597 9.597 8.413 1.184 25509 1032 1 2 . 1 1 78 78 TRP N N 78 125.914 125.914 127.747 -1.833 25509 1033 1 2 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.778 0.892 25509 1034 1 2 . 1 1 78 78 TRP C C 78 174.723 174.723 174.527 0.196 25509 1035 1 2 . 1 1 78 78 TRP CA C 78 48.205 48.205 54.753 -6.548 25509 1036 1 2 . 1 1 78 78 TRP H H 78 9.173 9.173 9.037 0.136 25509 1037 1 2 . 1 1 79 79 TYR N N 79 120.962 120.962 124.507 -3.545 25509 1038 1 2 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.655 0.662 25509 1039 1 2 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.019 -1.320 25509 1040 1 2 . 1 1 79 79 TYR H H 79 9.322 9.322 9.226 0.096 25509 1041 1 2 . 1 1 80 80 ILE N N 80 125.201 125.201 123.938 1.263 25509 1042 1 2 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.263 1.666 25509 1043 1 2 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.658 -16.823 25509 1044 1 2 . 1 1 80 80 ILE H H 80 9.634 9.634 8.540 1.094 25509 1045 1 2 . 1 1 86 86 THR HA H 86 3.629 3.629 3.449 0.180 25509 1046 1 2 . 1 1 86 86 THR C C 86 175.273 175.273 176.211 -0.938 25509 1047 1 2 . 1 1 86 86 THR CA C 86 60.845 60.845 66.939 -6.094 25509 1048 1 2 . 1 1 87 87 LYS N N 87 121.904 121.904 120.620 1.284 25509 1049 1 2 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.019 -0.076 25509 1050 1 2 . 1 1 87 87 LYS C C 87 178.969 178.969 178.307 0.662 25509 1051 1 2 . 1 1 87 87 LYS CA C 87 59.326 59.326 59.568 -0.242 25509 1052 1 2 . 1 1 87 87 LYS H H 87 7.728 7.728 8.007 -0.279 25509 1053 1 2 . 1 1 88 88 CYS N N 88 121.877 121.877 117.637 4.240 25509 1054 1 2 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.064 -0.130 25509 1055 1 2 . 1 1 88 88 CYS C C 88 178.168 178.168 176.365 1.803 25509 1056 1 2 . 1 1 88 88 CYS CA C 88 65.201 65.201 61.822 3.379 25509 1057 1 2 . 1 1 88 88 CYS H H 88 8.717 8.717 7.681 1.036 25509 1058 1 2 . 1 1 89 89 ALA N N 89 120.872 120.872 123.824 -2.952 25509 1059 1 2 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.127 -0.238 25509 1060 1 2 . 1 1 89 89 ALA C C 89 179.782 179.782 179.525 0.257 25509 1061 1 2 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.271 0.029 25509 1062 1 2 . 1 1 89 89 ALA H H 89 9.009 9.009 8.292 0.717 25509 1063 1 2 . 1 1 90 90 ARG N N 90 117.797 117.797 117.000 0.797 25509 1064 1 2 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.042 -0.057 25509 1065 1 2 . 1 1 90 90 ARG C C 90 179.333 179.333 178.558 0.775 25509 1066 1 2 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.243 0.110 25509 1067 1 2 . 1 1 90 90 ARG H H 90 7.912 7.912 7.506 0.406 25509 1068 1 2 . 1 1 91 91 ASP N N 91 121.892 121.892 120.368 1.524 25509 1069 1 2 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.550 -0.075 25509 1070 1 2 . 1 1 91 91 ASP C C 91 180.593 180.593 178.303 2.290 25509 1071 1 2 . 1 1 91 91 ASP CA C 91 57.329 57.329 56.802 0.527 25509 1072 1 2 . 1 1 91 91 ASP H H 91 8.413 8.413 7.878 0.535 25509 1073 1 2 . 1 1 92 92 MET N N 92 121.165 121.165 119.763 1.402 25509 1074 1 2 . 1 1 92 92 MET HA H 92 4.453 4.453 4.370 0.083 25509 1075 1 2 . 1 1 92 92 MET C C 92 177.594 177.594 178.100 -0.506 25509 1076 1 2 . 1 1 92 92 MET CA C 92 56.255 56.255 59.379 -3.124 25509 1077 1 2 . 1 1 92 92 MET H H 92 8.986 8.986 8.342 0.644 25509 1078 1 2 . 1 1 93 93 ALA N N 93 124.315 124.315 119.211 5.104 25509 1079 1 2 . 1 1 93 93 ALA HA H 93 3.818 3.818 3.981 -0.163 25509 1080 1 2 . 1 1 93 93 ALA C C 93 179.351 179.351 179.217 0.134 25509 1081 1 2 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.205 0.254 25509 1082 1 2 . 1 1 93 93 ALA H H 93 8.090 8.090 7.939 0.151 25509 1083 1 2 . 1 1 94 94 THR N N 94 115.375 115.375 115.547 -0.172 25509 1084 1 2 . 1 1 94 94 THR HA H 94 3.854 3.854 4.053 -0.199 25509 1085 1 2 . 1 1 94 94 THR C C 94 175.971 175.971 176.115 -0.144 25509 1086 1 2 . 1 1 94 94 THR CA C 94 66.140 66.140 66.404 -0.265 25509 1087 1 2 . 1 1 94 94 THR H H 94 7.908 7.908 7.697 0.211 25509 1088 1 2 . 1 1 95 95 PHE N N 95 121.559 121.559 122.828 -1.269 25509 1089 1 2 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.267 -0.078 25509 1090 1 2 . 1 1 95 95 PHE C C 95 178.456 178.456 176.436 2.020 25509 1091 1 2 . 1 1 95 95 PHE CA C 95 61.307 61.307 60.940 0.367 25509 1092 1 2 . 1 1 95 95 PHE H H 95 7.845 7.845 7.918 -0.073 25509 1093 1 2 . 1 1 96 96 LEU N N 96 120.614 120.614 119.818 0.796 25509 1094 1 2 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.392 0.359 25509 1095 1 2 . 1 1 96 96 LEU C C 96 179.846 179.846 178.716 1.130 25509 1096 1 2 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.674 -0.553 25509 1097 1 2 . 1 1 96 96 LEU H H 96 8.493 8.493 8.151 0.342 25509 1098 1 2 . 1 1 97 97 GLN N N 97 118.135 118.135 117.664 0.471 25509 1099 1 2 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.067 0.005 25509 1100 1 2 . 1 1 97 97 GLN C C 97 177.940 177.940 177.997 -0.057 25509 1101 1 2 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.429 -0.440 25509 1102 1 2 . 1 1 97 97 GLN H H 97 7.971 7.971 8.265 -0.294 25509 1103 1 2 . 1 1 98 98 GLU N N 98 115.676 115.676 118.504 -2.828 25509 1104 1 2 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.178 0.044 25509 1105 1 2 . 1 1 98 98 GLU C C 98 176.364 176.364 177.831 -1.467 25509 1106 1 2 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.255 -0.790 25509 1107 1 2 . 1 1 98 98 GLU H H 98 7.473 7.473 8.201 -0.728 25509 1108 1 2 . 1 1 99 99 ASN N N 99 121.312 121.312 117.626 3.686 25509 1109 1 2 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.646 0.340 25509 1110 1 2 . 1 1 99 99 ASN C C 99 174.155 174.155 174.971 -0.816 25509 1111 1 2 . 1 1 99 99 ASN CA C 99 51.958 51.958 53.643 -1.685 25509 1112 1 2 . 1 1 99 99 ASN H H 99 7.520 7.520 8.050 -0.530 25509 1113 1 2 . 1 1 100 100 THR N N 100 111.032 111.032 111.996 -0.964 25509 1114 1 2 . 1 1 100 100 THR HA H 100 4.438 4.438 3.809 0.629 25509 1115 1 2 . 1 1 100 100 THR C C 100 174.600 174.600 174.672 -0.072 25509 1116 1 2 . 1 1 100 100 THR CA C 100 63.613 63.613 63.066 0.547 25509 1117 1 2 . 1 1 100 100 THR H H 100 7.985 7.985 7.729 0.256 25509 1118 1 2 . 1 1 101 101 HIS C C 101 173.419 173.419 173.161 0.258 25509 1119 1 2 . 1 1 101 101 HIS CA C 101 56.546 56.546 58.029 -1.483 25509 1120 1 2 . 1 1 102 102 VAL N N 102 123.373 123.373 118.897 4.476 25509 1121 1 2 . 1 1 102 102 VAL HA H 102 4.643 4.643 4.848 -0.205 25509 1122 1 2 . 1 1 102 102 VAL C C 102 174.248 174.248 175.298 -1.050 25509 1123 1 2 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.410 1.605 25509 1124 1 2 . 1 1 102 102 VAL H H 102 7.561 7.561 7.508 0.053 25509 1125 1 2 . 1 1 103 103 THR N N 103 119.261 119.261 121.146 -1.885 25509 1126 1 2 . 1 1 103 103 THR HA H 103 4.702 4.702 4.862 -0.160 25509 1127 1 2 . 1 1 103 103 THR C C 103 173.198 173.198 173.751 -0.553 25509 1128 1 2 . 1 1 103 103 THR CA C 103 59.956 59.956 60.160 -0.204 25509 1129 1 2 . 1 1 103 103 THR H H 103 8.370 8.370 8.633 -0.263 25509 1130 1 2 . 1 1 104 104 LEU N N 104 128.085 128.085 125.100 2.985 25509 1131 1 2 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.926 0.197 25509 1132 1 2 . 1 1 104 104 LEU C C 104 175.009 175.009 175.731 -0.722 25509 1133 1 2 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.475 -0.244 25509 1134 1 2 . 1 1 104 104 LEU H H 104 9.373 9.373 8.398 0.975 25509 1135 1 2 . 1 1 105 105 THR N N 105 126.064 126.064 119.479 6.585 25509 1136 1 2 . 1 1 105 105 THR HA H 105 4.560 4.560 4.826 -0.266 25509 1137 1 2 . 1 1 105 105 THR C C 105 171.873 171.873 174.428 -2.555 25509 1138 1 2 . 1 1 105 105 THR CA C 105 61.546 61.546 60.850 0.696 25509 1139 1 2 . 1 1 105 105 THR H H 105 8.561 8.561 8.961 -0.400 25509 1140 1 2 . 1 1 106 106 ILE N N 106 125.679 125.679 125.458 0.221 25509 1141 1 2 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.352 -0.145 25509 1142 1 2 . 1 1 106 106 ILE C C 106 172.536 172.536 174.449 -1.913 25509 1143 1 2 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.590 -2.703 25509 1144 1 2 . 1 1 106 106 ILE H H 106 9.190 9.190 8.235 0.955 25509 1145 1 2 . 1 1 107 107 PHE N N 107 126.337 126.337 127.252 -0.915 25509 1146 1 2 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.804 -0.548 25509 1147 1 2 . 1 1 107 107 PHE C C 107 175.694 175.694 175.291 0.403 25509 1148 1 2 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.283 1.059 25509 1149 1 2 . 1 1 107 107 PHE H H 107 9.135 9.135 9.430 -0.295 25509 1150 1 2 . 1 1 108 108 VAL N N 108 118.789 118.789 122.354 -3.565 25509 1151 1 2 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.688 0.332 25509 1152 1 2 . 1 1 108 108 VAL C C 108 176.539 176.539 174.908 1.631 25509 1153 1 2 . 1 1 108 108 VAL CA C 108 58.498 58.498 61.176 -2.678 25509 1154 1 2 . 1 1 108 108 VAL H H 108 8.936 8.936 8.355 0.581 25509 1155 1 2 . 1 1 109 109 ALA N N 109 129.108 129.108 131.128 -2.020 25509 1156 1 2 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.778 -0.254 25509 1157 1 2 . 1 1 109 109 ALA C C 109 175.933 175.933 177.105 -1.172 25509 1158 1 2 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.800 2.237 25509 1159 1 2 . 1 1 109 109 ALA H H 109 8.509 8.509 8.796 -0.287 25509 1160 1 2 . 1 1 110 110 ARG N N 110 110.165 110.165 120.527 -10.362 25509 1161 1 2 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.462 0.043 25509 1162 1 2 . 1 1 110 110 ARG C C 110 175.120 175.120 175.162 -0.042 25509 1163 1 2 . 1 1 110 110 ARG CA C 110 54.555 54.555 54.685 -0.130 25509 1164 1 2 . 1 1 110 110 ARG H H 110 6.677 6.677 7.759 -1.082 25509 1165 1 2 . 1 1 111 111 LEU N N 111 119.767 119.767 123.472 -3.705 25509 1166 1 2 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.885 -0.370 25509 1167 1 2 . 1 1 111 111 LEU CA C 111 53.198 53.198 54.044 -0.846 25509 1168 1 2 . 1 1 111 111 LEU H H 111 7.031 7.031 8.218 -1.187 25509 1169 1 2 . 1 1 117 117 PRO C C 117 178.666 178.666 177.694 0.972 25509 1170 1 2 . 1 1 117 117 PRO CA C 117 64.996 64.996 64.874 0.122 25509 1171 1 2 . 1 1 118 118 ASP N N 118 118.659 118.659 116.378 2.281 25509 1172 1 2 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.585 -0.151 25509 1173 1 2 . 1 1 118 118 ASP C C 118 178.263 178.263 177.506 0.757 25509 1174 1 2 . 1 1 118 118 ASP CA C 118 56.740 56.740 56.194 0.546 25509 1175 1 2 . 1 1 118 118 ASP H H 118 8.215 8.215 8.500 -0.285 25509 1176 1 2 . 1 1 119 119 TYR N N 119 122.818 122.818 120.763 2.055 25509 1177 1 2 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.097 0.107 25509 1178 1 2 . 1 1 119 119 TYR C C 119 177.538 177.538 177.303 0.235 25509 1179 1 2 . 1 1 119 119 TYR CA C 119 60.942 60.942 60.875 0.067 25509 1180 1 2 . 1 1 119 119 TYR H H 119 7.994 7.994 7.374 0.620 25509 1181 1 2 . 1 1 120 120 GLN N N 120 117.143 117.143 117.962 -0.819 25509 1182 1 2 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.573 -0.065 25509 1183 1 2 . 1 1 120 120 GLN C C 120 177.702 177.702 178.200 -0.498 25509 1184 1 2 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.255 -0.269 25509 1185 1 2 . 1 1 120 120 GLN H H 120 7.898 7.898 7.999 -0.101 25509 1186 1 2 . 1 1 121 121 GLU N N 121 117.707 117.707 118.879 -1.172 25509 1187 1 2 . 1 1 121 121 GLU HA H 121 3.891 3.891 3.976 -0.085 25509 1188 1 2 . 1 1 121 121 GLU C C 121 178.815 178.815 178.594 0.221 25509 1189 1 2 . 1 1 121 121 GLU CA C 121 58.603 58.603 59.038 -0.435 25509 1190 1 2 . 1 1 121 121 GLU H H 121 7.829 7.829 7.721 0.108 25509 1191 1 2 . 1 1 122 122 ALA N N 122 123.710 123.710 122.120 1.590 25509 1192 1 2 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.094 -0.194 25509 1193 1 2 . 1 1 122 122 ALA C C 122 180.296 180.296 179.641 0.655 25509 1194 1 2 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.616 0.333 25509 1195 1 2 . 1 1 122 122 ALA H H 122 7.881 7.881 7.449 0.432 25509 1196 1 2 . 1 1 123 123 LEU N N 123 119.307 119.307 118.240 1.067 25509 1197 1 2 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.839 -0.048 25509 1198 1 2 . 1 1 123 123 LEU C C 123 179.075 179.075 178.940 0.135 25509 1199 1 2 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.456 0.081 25509 1200 1 2 . 1 1 123 123 LEU H H 123 8.073 8.073 8.005 0.068 25509 1201 1 2 . 1 1 124 124 ARG N N 124 118.146 118.146 117.389 0.757 25509 1202 1 2 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.932 -0.100 25509 1203 1 2 . 1 1 124 124 ARG C C 124 179.745 179.745 178.410 1.335 25509 1204 1 2 . 1 1 124 124 ARG CA C 124 60.155 60.155 58.304 1.851 25509 1205 1 2 . 1 1 124 124 ARG H H 124 8.074 8.074 7.831 0.243 25509 1206 1 2 . 1 1 125 125 SER N N 125 117.399 117.399 115.686 1.713 25509 1207 1 2 . 1 1 125 125 SER HA H 125 4.151 4.151 4.214 -0.063 25509 1208 1 2 . 1 1 125 125 SER C C 125 176.389 176.389 176.506 -0.117 25509 1209 1 2 . 1 1 125 125 SER CA C 125 54.752 54.752 61.339 -6.587 25509 1210 1 2 . 1 1 125 125 SER H H 125 8.471 8.471 7.685 0.786 25509 1211 1 2 . 1 1 126 126 LEU N N 126 125.924 125.924 121.750 4.174 25509 1212 1 2 . 1 1 126 126 LEU HA H 126 3.970 3.970 3.945 0.025 25509 1213 1 2 . 1 1 126 126 LEU C C 126 177.721 177.721 178.252 -0.531 25509 1214 1 2 . 1 1 126 126 LEU CA C 126 57.423 57.423 58.354 -0.931 25509 1215 1 2 . 1 1 126 126 LEU H H 126 7.621 7.621 7.435 0.186 25509 1216 1 2 . 1 1 127 127 ALA N N 127 122.932 122.932 120.568 2.364 25509 1217 1 2 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.351 0.325 25509 1218 1 2 . 1 1 127 127 ALA C C 127 182.614 182.614 179.216 3.398 25509 1219 1 2 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.433 -0.459 25509 1220 1 2 . 1 1 127 127 ALA H H 127 7.973 7.973 7.761 0.212 25509 1221 1 2 . 1 1 128 128 GLN N N 128 120.408 120.408 117.470 2.938 25509 1222 1 2 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.073 -0.044 25509 1223 1 2 . 1 1 128 128 GLN C C 128 177.613 177.613 176.917 0.696 25509 1224 1 2 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.000 0.051 25509 1225 1 2 . 1 1 128 128 GLN H H 128 8.690 8.690 7.888 0.802 25509 1226 1 2 . 1 1 129 129 ALA N N 129 120.391 120.391 120.800 -0.409 25509 1227 1 2 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.304 -0.021 25509 1228 1 2 . 1 1 129 129 ALA C C 129 177.019 177.019 177.695 -0.676 25509 1229 1 2 . 1 1 129 129 ALA CA C 129 52.171 52.171 53.166 -0.995 25509 1230 1 2 . 1 1 129 129 ALA H H 129 7.542 7.542 7.439 0.103 25509 1231 1 2 . 1 1 130 130 GLY N N 130 104.533 104.533 104.460 0.073 25509 1232 1 2 . 1 1 130 130 GLY C C 130 175.291 175.291 172.270 3.021 25509 1233 1 2 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.867 -0.591 25509 1234 1 2 . 1 1 130 130 GLY H H 130 7.760 7.760 7.907 -0.147 25509 1235 1 2 . 1 1 131 131 ALA N N 131 124.759 124.759 122.173 2.586 25509 1236 1 2 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.479 -0.892 25509 1237 1 2 . 1 1 131 131 ALA C C 131 177.045 177.045 175.573 1.472 25509 1238 1 2 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.225 1.389 25509 1239 1 2 . 1 1 131 131 ALA H H 131 7.543 7.543 7.579 -0.036 25509 1240 1 2 . 1 1 132 132 THR N N 132 120.565 120.565 116.354 4.211 25509 1241 1 2 . 1 1 132 132 THR HA H 132 4.293 4.293 4.549 -0.256 25509 1242 1 2 . 1 1 132 132 THR C C 132 172.940 172.940 173.154 -0.214 25509 1243 1 2 . 1 1 132 132 THR CA C 132 62.285 62.285 62.040 0.245 25509 1244 1 2 . 1 1 132 132 THR H H 132 7.983 7.983 8.705 -0.722 25509 1245 1 2 . 1 1 133 133 ILE N N 133 128.874 128.874 127.867 1.007 25509 1246 1 2 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.677 0.028 25509 1247 1 2 . 1 1 133 133 ILE C C 133 173.707 173.707 174.770 -1.063 25509 1248 1 2 . 1 1 133 133 ILE CA C 133 59.898 59.898 60.268 -0.370 25509 1249 1 2 . 1 1 133 133 ILE H H 133 8.641 8.641 8.557 0.084 25509 1250 1 2 . 1 1 134 134 LYS N N 134 125.904 125.904 126.005 -0.101 25509 1251 1 2 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.609 -0.119 25509 1252 1 2 . 1 1 134 134 LYS C C 134 174.736 174.736 174.592 0.144 25509 1253 1 2 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.644 0.262 25509 1254 1 2 . 1 1 134 134 LYS H H 134 8.878 8.878 8.427 0.451 25509 1255 1 2 . 1 1 135 135 ILE N N 135 121.444 121.444 121.221 0.223 25509 1256 1 2 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.180 0.464 25509 1257 1 2 . 1 1 135 135 ILE C C 135 177.563 177.563 177.419 0.144 25509 1258 1 2 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.412 -3.578 25509 1259 1 2 . 1 1 135 135 ILE H H 135 8.601 8.601 8.683 -0.082 25509 1260 1 2 . 1 1 136 136 MET N N 136 124.557 124.557 124.374 0.183 25509 1261 1 2 . 1 1 136 136 MET HA H 136 3.741 3.741 4.606 -0.865 25509 1262 1 2 . 1 1 136 136 MET C C 136 174.070 174.070 174.642 -0.572 25509 1263 1 2 . 1 1 136 136 MET CA C 136 58.298 58.298 57.147 1.151 25509 1264 1 2 . 1 1 136 136 MET H H 136 8.550 8.550 8.594 -0.044 25509 1265 1 2 . 1 1 137 137 ASN N N 137 126.678 126.678 120.487 6.191 25509 1266 1 2 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.238 -0.230 25509 1267 1 2 . 1 1 137 137 ASN C C 137 174.733 174.733 176.344 -1.611 25509 1268 1 2 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.345 -1.451 25509 1269 1 2 . 1 1 137 137 ASN H H 137 9.480 9.480 8.529 0.951 25509 1270 1 2 . 1 1 138 138 TYR N N 138 123.587 123.587 123.520 0.067 25509 1271 1 2 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.524 -0.683 25509 1272 1 2 . 1 1 138 138 TYR C C 138 176.154 176.154 176.616 -0.462 25509 1273 1 2 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.879 0.932 25509 1274 1 2 . 1 1 138 138 TYR H H 138 9.914 9.914 9.140 0.774 25509 1275 1 2 . 1 1 139 139 ASP N N 139 116.024 116.024 117.133 -1.109 25509 1276 1 2 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.293 -0.177 25509 1277 1 2 . 1 1 139 139 ASP C C 139 179.067 179.067 177.654 1.413 25509 1278 1 2 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.204 0.287 25509 1279 1 2 . 1 1 139 139 ASP H H 139 8.976 8.976 8.679 0.297 25509 1280 1 2 . 1 1 140 140 GLU N N 140 118.087 118.087 120.039 -1.952 25509 1281 1 2 . 1 1 140 140 GLU HA H 140 3.826 3.826 3.985 -0.159 25509 1282 1 2 . 1 1 140 140 GLU C C 140 178.692 178.692 178.032 0.660 25509 1283 1 2 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.563 2.037 25509 1284 1 2 . 1 1 140 140 GLU H H 140 7.540 7.540 8.114 -0.574 25509 1285 1 2 . 1 1 141 141 PHE N N 141 119.608 119.608 120.159 -0.551 25509 1286 1 2 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.454 -0.666 25509 1287 1 2 . 1 1 141 141 PHE C C 141 176.881 176.881 178.077 -1.196 25509 1288 1 2 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.706 0.997 25509 1289 1 2 . 1 1 141 141 PHE H H 141 8.032 8.032 7.463 0.569 25509 1290 1 2 . 1 1 142 142 GLN N N 142 118.759 118.759 120.032 -1.273 25509 1291 1 2 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.071 -0.050 25509 1292 1 2 . 1 1 142 142 GLN C C 142 177.945 177.945 178.101 -0.156 25509 1293 1 2 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.136 -0.357 25509 1294 1 2 . 1 1 142 142 GLN H H 142 8.223 8.223 8.740 -0.517 25509 1295 1 2 . 1 1 143 143 HIS N N 143 120.774 120.774 119.831 0.943 25509 1296 1 2 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.404 -0.426 25509 1297 1 2 . 1 1 143 143 HIS C C 143 177.147 177.147 177.216 -0.069 25509 1298 1 2 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.455 -0.088 25509 1299 1 2 . 1 1 143 143 HIS H H 143 7.924 7.924 7.830 0.094 25509 1300 1 2 . 1 1 144 144 CYS N N 144 117.600 117.600 119.363 -1.763 25509 1301 1 2 . 1 1 144 144 CYS HA H 144 3.838 3.838 3.622 0.216 25509 1302 1 2 . 1 1 144 144 CYS C C 144 176.233 176.233 176.587 -0.354 25509 1303 1 2 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.237 -0.385 25509 1304 1 2 . 1 1 144 144 CYS H H 144 7.892 7.892 8.151 -0.259 25509 1305 1 2 . 1 1 145 145 TRP N N 145 120.806 120.806 121.569 -0.763 25509 1306 1 2 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.764 -0.495 25509 1307 1 2 . 1 1 145 145 TRP C C 145 177.085 177.085 177.403 -0.318 25509 1308 1 2 . 1 1 145 145 TRP CA C 145 59.453 59.453 61.496 -2.043 25509 1309 1 2 . 1 1 145 145 TRP H H 145 8.201 8.201 8.772 -0.571 25509 1310 1 2 . 1 1 146 146 SER N N 146 111.555 111.555 114.469 -2.914 25509 1311 1 2 . 1 1 146 146 SER C C 146 176.199 176.199 176.441 -0.242 25509 1312 1 2 . 1 1 146 146 SER CA C 146 60.827 60.827 61.727 -0.900 25509 1313 1 2 . 1 1 146 146 SER H H 146 8.032 8.032 8.348 -0.316 25509 1314 1 2 . 1 1 147 147 LYS N N 147 115.563 115.563 120.927 -5.364 25509 1315 1 2 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.412 -0.438 25509 1316 1 2 . 1 1 147 147 LYS C C 147 177.448 177.448 178.993 -1.545 25509 1317 1 2 . 1 1 147 147 LYS CA C 147 55.464 55.464 58.068 -2.604 25509 1318 1 2 . 1 1 147 147 LYS H H 147 7.684 7.684 7.564 0.120 25509 1319 1 2 . 1 1 148 148 PHE N N 148 113.648 113.648 117.324 -3.676 25509 1320 1 2 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.242 0.235 25509 1321 1 2 . 1 1 148 148 PHE C C 148 174.293 174.293 177.134 -2.841 25509 1322 1 2 . 1 1 148 148 PHE CA C 148 58.180 58.180 59.361 -1.181 25509 1323 1 2 . 1 1 148 148 PHE H H 148 8.134 8.134 8.142 -0.008 25509 1324 1 2 . 1 1 149 149 VAL N N 149 119.139 119.139 115.160 3.979 25509 1325 1 2 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.521 0.588 25509 1326 1 2 . 1 1 149 149 VAL C C 149 175.690 175.690 176.887 -1.197 25509 1327 1 2 . 1 1 149 149 VAL CA C 149 60.309 60.309 63.481 -3.172 25509 1328 1 2 . 1 1 149 149 VAL H H 149 6.787 6.787 7.393 -0.606 25509 1329 1 2 . 1 1 150 150 TYR N N 150 129.042 129.042 117.649 11.393 25509 1330 1 2 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.065 0.499 25509 1331 1 2 . 1 1 150 150 TYR C C 150 173.826 173.826 176.167 -2.341 25509 1332 1 2 . 1 1 150 150 TYR CA C 150 55.580 55.580 60.758 -5.178 25509 1333 1 2 . 1 1 150 150 TYR H H 150 8.552 8.552 8.501 0.051 25509 1334 1 2 . 1 1 151 151 SER N N 151 119.931 119.931 116.802 3.129 25509 1335 1 2 . 1 1 151 151 SER HA H 151 4.585 4.585 4.094 0.491 25509 1336 1 2 . 1 1 151 151 SER C C 151 176.209 176.209 174.284 1.925 25509 1337 1 2 . 1 1 151 151 SER CA C 151 57.497 57.497 59.007 -1.510 25509 1338 1 2 . 1 1 151 151 SER H H 151 7.787 7.787 8.351 -0.564 25509 1339 1 2 . 1 1 152 152 GLN N N 152 120.381 120.381 116.947 3.434 25509 1340 1 2 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.121 -0.406 25509 1341 1 2 . 1 1 152 152 GLN C C 152 175.787 175.787 175.661 0.126 25509 1342 1 2 . 1 1 152 152 GLN CA C 152 56.476 56.476 57.042 -0.566 25509 1343 1 2 . 1 1 152 152 GLN H H 152 8.386 8.386 8.664 -0.278 25509 1344 1 2 . 1 1 153 153 GLY N N 153 106.086 106.086 103.535 2.551 25509 1345 1 2 . 1 1 153 153 GLY C C 153 174.309 174.309 174.211 0.098 25509 1346 1 2 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.038 -0.135 25509 1347 1 2 . 1 1 153 153 GLY H H 153 8.047 8.047 7.672 0.375 25509 1348 1 2 . 1 1 154 154 ALA N N 154 125.790 125.790 123.547 2.243 25509 1349 1 2 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.637 -0.055 25509 1350 1 2 . 1 1 154 154 ALA C C 154 176.022 176.022 175.582 0.440 25509 1351 1 2 . 1 1 154 154 ALA CA C 154 49.894 49.894 49.510 0.384 25509 1352 1 2 . 1 1 154 154 ALA H H 154 7.562 7.562 7.713 -0.151 25509 1353 1 2 . 1 1 155 155 PRO C C 155 175.578 175.578 175.253 0.325 25509 1354 1 2 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.414 -0.753 25509 1355 1 2 . 1 1 156 156 PHE N N 156 121.116 121.116 125.314 -4.198 25509 1356 1 2 . 1 1 156 156 PHE HA H 156 2.346 2.346 3.947 -1.601 25509 1357 1 2 . 1 1 156 156 PHE C C 156 174.254 174.254 174.029 0.225 25509 1358 1 2 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.570 -1.156 25509 1359 1 2 . 1 1 156 156 PHE H H 156 8.288 8.288 7.921 0.367 25509 1360 1 2 . 1 1 157 157 GLN N N 157 129.600 129.600 125.963 3.637 25509 1361 1 2 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.761 -0.455 25509 1362 1 2 . 1 1 157 157 GLN C C 157 171.628 171.628 173.416 -1.788 25509 1363 1 2 . 1 1 157 157 GLN CA C 157 50.515 50.515 51.847 -1.333 25509 1364 1 2 . 1 1 157 157 GLN H H 157 7.205 7.205 7.684 -0.479 25509 1365 1 2 . 1 1 158 158 PRO C C 158 175.224 175.224 175.451 -0.227 25509 1366 1 2 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.425 -0.702 25509 1367 1 2 . 1 1 159 159 TRP N N 159 117.795 117.795 123.386 -5.591 25509 1368 1 2 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.788 -0.090 25509 1369 1 2 . 1 1 159 159 TRP C C 159 175.906 175.906 176.821 -0.915 25509 1370 1 2 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.993 -2.465 25509 1371 1 2 . 1 1 159 159 TRP H H 159 5.628 5.628 7.201 -1.573 25509 1372 1 2 . 1 1 160 160 ASP N N 160 122.363 122.363 123.136 -0.773 25509 1373 1 2 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.618 -0.295 25509 1374 1 2 . 1 1 160 160 ASP C C 160 177.598 177.598 176.439 1.159 25509 1375 1 2 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.551 0.844 25509 1376 1 2 . 1 1 160 160 ASP H H 160 8.766 8.766 8.631 0.135 25509 1377 1 2 . 1 1 161 161 GLY N N 161 111.982 111.982 107.251 4.731 25509 1378 1 2 . 1 1 161 161 GLY C C 161 173.833 173.833 174.928 -1.095 25509 1379 1 2 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.024 0.358 25509 1380 1 2 . 1 1 161 161 GLY H H 161 8.887 8.887 7.848 1.039 25509 1381 1 2 . 1 1 162 162 LEU N N 162 121.971 121.971 121.941 0.030 25509 1382 1 2 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.216 0.056 25509 1383 1 2 . 1 1 162 162 LEU C C 162 179.345 179.345 177.380 1.965 25509 1384 1 2 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.987 2.567 25509 1385 1 2 . 1 1 162 162 LEU H H 162 7.078 7.078 8.229 -1.151 25509 1386 1 2 . 1 1 163 163 ASP N N 163 118.366 118.366 116.101 2.265 25509 1387 1 2 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.424 0.035 25509 1388 1 2 . 1 1 163 163 ASP C C 163 178.182 178.182 178.400 -0.218 25509 1389 1 2 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.263 -0.155 25509 1390 1 2 . 1 1 163 163 ASP H H 163 8.679 8.679 8.677 0.002 25509 1391 1 2 . 1 1 164 164 GLU N N 164 121.998 121.998 120.055 1.943 25509 1392 1 2 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.259 -0.324 25509 1393 1 2 . 1 1 164 164 GLU C C 164 180.355 180.355 178.842 1.513 25509 1394 1 2 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.172 0.442 25509 1395 1 2 . 1 1 164 164 GLU H H 164 8.374 8.374 8.535 -0.161 25509 1396 1 2 . 1 1 165 165 HIS N N 165 120.268 120.268 118.461 1.807 25509 1397 1 2 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.541 0.061 25509 1398 1 2 . 1 1 165 165 HIS C C 165 178.924 178.924 177.576 1.348 25509 1399 1 2 . 1 1 165 165 HIS CA C 165 59.393 59.393 58.495 0.898 25509 1400 1 2 . 1 1 165 165 HIS H H 165 8.707 8.707 8.392 0.315 25509 1401 1 2 . 1 1 166 166 SER N N 166 118.252 118.252 116.169 2.083 25509 1402 1 2 . 1 1 166 166 SER HA H 166 4.400 4.400 4.301 0.099 25509 1403 1 2 . 1 1 166 166 SER C C 166 177.421 177.421 176.680 0.741 25509 1404 1 2 . 1 1 166 166 SER CA C 166 63.202 63.202 61.876 1.326 25509 1405 1 2 . 1 1 166 166 SER H H 166 8.649 8.649 8.477 0.172 25509 1406 1 2 . 1 1 167 167 GLN N N 167 121.647 121.647 119.644 2.003 25509 1407 1 2 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.188 -0.012 25509 1408 1 2 . 1 1 167 167 GLN C C 167 179.643 179.643 178.086 1.557 25509 1409 1 2 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.193 0.589 25509 1410 1 2 . 1 1 167 167 GLN H H 167 8.645 8.645 7.977 0.668 25509 1411 1 2 . 1 1 168 168 ALA N N 168 124.242 124.242 123.153 1.089 25509 1412 1 2 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.136 0.113 25509 1413 1 2 . 1 1 168 168 ALA C C 168 181.949 181.949 179.565 2.384 25509 1414 1 2 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.663 0.217 25509 1415 1 2 . 1 1 168 168 ALA H H 168 8.092 8.092 7.614 0.478 25509 1416 1 2 . 1 1 169 169 LEU N N 169 120.509 120.509 118.056 2.453 25509 1417 1 2 . 1 1 169 169 LEU HA H 169 4.087 4.087 3.968 0.119 25509 1418 1 2 . 1 1 169 169 LEU C C 169 179.159 179.159 178.775 0.384 25509 1419 1 2 . 1 1 169 169 LEU CA C 169 57.603 57.603 56.986 0.617 25509 1420 1 2 . 1 1 169 169 LEU H H 169 8.526 8.526 8.437 0.089 25509 1421 1 2 . 1 1 170 170 SER N N 170 117.410 117.410 115.022 2.388 25509 1422 1 2 . 1 1 170 170 SER HA H 170 4.128 4.128 4.117 0.011 25509 1423 1 2 . 1 1 170 170 SER C C 170 178.370 178.370 176.870 1.500 25509 1424 1 2 . 1 1 170 170 SER CA C 170 62.240 62.240 62.317 -0.077 25509 1425 1 2 . 1 1 170 170 SER H H 170 8.853 8.853 8.234 0.619 25509 1426 1 2 . 1 1 171 171 GLY N N 171 111.058 111.058 108.616 2.442 25509 1427 1 2 . 1 1 171 171 GLY C C 171 176.376 176.376 175.941 0.435 25509 1428 1 2 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.949 -0.276 25509 1429 1 2 . 1 1 171 171 GLY H H 171 8.175 8.175 7.896 0.279 25509 1430 1 2 . 1 1 172 172 ARG N N 172 123.131 123.131 120.849 2.282 25509 1431 1 2 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.225 -0.034 25509 1432 1 2 . 1 1 172 172 ARG C C 172 178.807 178.807 178.489 0.318 25509 1433 1 2 . 1 1 172 172 ARG CA C 172 58.189 58.189 57.325 0.864 25509 1434 1 2 . 1 1 172 172 ARG H H 172 7.578 7.578 7.354 0.224 25509 1435 1 2 . 1 1 173 173 LEU N N 173 120.594 120.594 120.343 0.251 25509 1436 1 2 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.192 -0.200 25509 1437 1 2 . 1 1 173 173 LEU C C 173 178.396 178.396 178.332 0.064 25509 1438 1 2 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.182 -0.721 25509 1439 1 2 . 1 1 173 173 LEU H H 173 8.813 8.813 7.834 0.979 25509 1440 1 2 . 1 1 174 174 GLY N N 174 105.456 105.456 105.845 -0.389 25509 1441 1 2 . 1 1 174 174 GLY C C 174 176.170 176.170 176.096 0.074 25509 1442 1 2 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.725 -0.084 25509 1443 1 2 . 1 1 174 174 GLY H H 174 8.221 8.221 7.813 0.408 25509 1444 1 2 . 1 1 175 175 GLU N N 175 120.171 120.171 121.931 -1.760 25509 1445 1 2 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.223 -0.143 25509 1446 1 2 . 1 1 175 175 GLU C C 175 179.100 179.100 178.919 0.181 25509 1447 1 2 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.664 -0.214 25509 1448 1 2 . 1 1 175 175 GLU H H 175 7.478 7.478 7.657 -0.179 25509 1449 1 2 . 1 1 176 176 ILE N N 176 119.642 119.642 120.091 -0.449 25509 1450 1 2 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.867 -0.187 25509 1451 1 2 . 1 1 176 176 ILE C C 176 177.560 177.560 178.318 -0.758 25509 1452 1 2 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.527 -1.051 25509 1453 1 2 . 1 1 176 176 ILE H H 176 7.755 7.755 7.587 0.168 25509 1454 1 2 . 1 1 177 177 LEU N N 177 116.019 116.019 118.823 -2.804 25509 1455 1 2 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.228 -0.137 25509 1456 1 2 . 1 1 177 177 LEU C C 177 177.520 177.520 177.704 -0.184 25509 1457 1 2 . 1 1 177 177 LEU CA C 177 55.252 55.252 57.372 -2.120 25509 1458 1 2 . 1 1 177 177 LEU H H 177 8.067 8.067 7.455 0.612 25509 1459 1 2 . 1 1 178 178 ARG N N 178 118.755 118.755 117.874 0.881 25509 1460 1 2 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.093 0.046 25509 1461 1 2 . 1 1 178 178 ARG C C 178 175.953 175.953 177.135 -1.182 25509 1462 1 2 . 1 1 178 178 ARG CA C 178 56.683 56.683 58.448 -1.765 25509 1463 1 2 . 1 1 178 178 ARG H H 178 7.566 7.566 7.457 0.109 25509 1464 1 2 . 1 1 179 179 HIS N N 179 120.648 120.648 118.751 1.897 25509 1465 1 2 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.672 -0.060 25509 1466 1 2 . 1 1 179 179 HIS C C 179 174.365 174.365 174.400 -0.035 25509 1467 1 2 . 1 1 179 179 HIS CA C 179 55.781 55.781 55.975 -0.194 25509 1468 1 2 . 1 1 179 179 HIS H H 179 8.140 8.140 8.271 -0.131 25509 1469 1 3 . 1 1 2 2 ASP N N 2 123.241 123.241 121.878 1.363 25509 1470 1 3 . 1 1 2 2 ASP C C 2 174.657 174.657 174.566 0.091 25509 1471 1 3 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.989 -0.889 25509 1472 1 3 . 1 1 2 2 ASP H H 2 8.114 8.114 8.358 -0.244 25509 1473 1 3 . 1 1 3 3 PRO C C 3 178.464 178.464 175.833 2.631 25509 1474 1 3 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.388 3.111 25509 1475 1 3 . 1 1 4 4 ASP N N 4 118.258 118.258 123.501 -5.243 25509 1476 1 3 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.717 -0.269 25509 1477 1 3 . 1 1 4 4 ASP C C 4 178.808 178.808 177.361 1.447 25509 1478 1 3 . 1 1 4 4 ASP CA C 4 57.247 57.247 56.002 1.245 25509 1479 1 3 . 1 1 4 4 ASP H H 4 8.509 8.509 8.695 -0.186 25509 1480 1 3 . 1 1 5 5 THR N N 5 119.780 119.780 115.365 4.415 25509 1481 1 3 . 1 1 5 5 THR HA H 5 3.859 3.859 4.522 -0.663 25509 1482 1 3 . 1 1 5 5 THR C C 5 177.699 177.699 175.740 1.959 25509 1483 1 3 . 1 1 5 5 THR CA C 5 66.182 66.182 65.175 1.007 25509 1484 1 3 . 1 1 5 5 THR H H 5 8.150 8.150 8.636 -0.486 25509 1485 1 3 . 1 1 6 6 PHE N N 6 124.329 124.329 122.189 2.140 25509 1486 1 3 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.745 -0.541 25509 1487 1 3 . 1 1 6 6 PHE C C 6 176.665 176.665 176.486 0.179 25509 1488 1 3 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.177 0.623 25509 1489 1 3 . 1 1 6 6 PHE H H 6 8.297 8.297 8.575 -0.278 25509 1490 1 3 . 1 1 7 7 SER N N 7 116.185 116.185 113.596 2.589 25509 1491 1 3 . 1 1 7 7 SER C C 7 176.138 176.138 175.305 0.833 25509 1492 1 3 . 1 1 7 7 SER CA C 7 61.480 61.480 60.537 0.943 25509 1493 1 3 . 1 1 7 7 SER H H 7 8.752 8.752 8.550 0.202 25509 1494 1 3 . 1 1 8 8 TYR N N 8 118.689 118.689 119.109 -0.420 25509 1495 1 3 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.316 -0.269 25509 1496 1 3 . 1 1 8 8 TYR C C 8 177.077 177.077 175.903 1.174 25509 1497 1 3 . 1 1 8 8 TYR CA C 8 60.282 60.282 60.876 -0.594 25509 1498 1 3 . 1 1 8 8 TYR H H 8 7.967 7.967 7.593 0.374 25509 1499 1 3 . 1 1 9 9 ASN N N 9 113.034 113.034 114.330 -1.296 25509 1500 1 3 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.504 -0.274 25509 1501 1 3 . 1 1 9 9 ASN C C 9 175.101 175.101 176.157 -1.056 25509 1502 1 3 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.545 2.542 25509 1503 1 3 . 1 1 9 9 ASN H H 9 7.577 7.577 7.665 -0.088 25509 1504 1 3 . 1 1 10 10 PHE N N 10 117.719 117.719 119.183 -1.464 25509 1505 1 3 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.263 -0.387 25509 1506 1 3 . 1 1 10 10 PHE C C 10 171.880 171.880 175.648 -3.768 25509 1507 1 3 . 1 1 10 10 PHE CA C 10 58.762 58.762 59.175 -0.413 25509 1508 1 3 . 1 1 10 10 PHE H H 10 8.655 8.655 7.566 1.089 25509 1509 1 3 . 1 1 11 11 ASN N N 11 114.885 114.885 117.894 -3.009 25509 1510 1 3 . 1 1 11 11 ASN C C 11 174.730 174.730 174.175 0.555 25509 1511 1 3 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.718 -0.279 25509 1512 1 3 . 1 1 11 11 ASN H H 11 6.097 6.097 7.554 -1.457 25509 1513 1 3 . 1 1 12 12 ASN N N 12 121.039 121.039 116.904 4.135 25509 1514 1 3 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.767 -0.402 25509 1515 1 3 . 1 1 12 12 ASN C C 12 174.578 174.578 174.629 -0.051 25509 1516 1 3 . 1 1 12 12 ASN CA C 12 51.417 51.417 53.657 -2.240 25509 1517 1 3 . 1 1 12 12 ASN H H 12 6.688 6.688 8.954 -2.266 25509 1518 1 3 . 1 1 13 13 ARG N N 13 119.646 119.646 117.840 1.806 25509 1519 1 3 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.532 -0.944 25509 1520 1 3 . 1 1 13 13 ARG C C 13 175.049 175.049 173.476 1.573 25509 1521 1 3 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.344 1.986 25509 1522 1 3 . 1 1 13 13 ARG H H 13 7.589 7.589 7.815 -0.226 25509 1523 1 3 . 1 1 14 14 PRO C C 14 176.477 176.477 175.681 0.796 25509 1524 1 3 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.242 0.938 25509 1525 1 3 . 1 1 15 15 ILE N N 15 120.304 120.304 122.282 -1.978 25509 1526 1 3 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.801 0.482 25509 1527 1 3 . 1 1 15 15 ILE C C 15 175.956 175.956 177.076 -1.120 25509 1528 1 3 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.449 -2.423 25509 1529 1 3 . 1 1 15 15 ILE H H 15 7.827 7.827 7.720 0.107 25509 1530 1 3 . 1 1 16 16 LEU N N 16 124.585 124.585 121.317 3.268 25509 1531 1 3 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.351 -0.050 25509 1532 1 3 . 1 1 16 16 LEU C C 16 177.213 177.213 176.087 1.126 25509 1533 1 3 . 1 1 16 16 LEU CA C 16 55.089 55.089 54.277 0.812 25509 1534 1 3 . 1 1 16 16 LEU H H 16 8.283 8.283 7.977 0.306 25509 1535 1 3 . 1 1 17 17 SER N N 17 115.176 115.176 115.609 -0.433 25509 1536 1 3 . 1 1 17 17 SER C C 17 173.733 173.733 173.409 0.324 25509 1537 1 3 . 1 1 17 17 SER CA C 17 57.371 57.371 59.600 -2.229 25509 1538 1 3 . 1 1 17 17 SER H H 17 7.782 7.782 7.818 -0.036 25509 1539 1 3 . 1 1 18 18 ARG N N 18 122.072 122.072 117.929 4.143 25509 1540 1 3 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.305 -0.101 25509 1541 1 3 . 1 1 18 18 ARG C C 18 176.524 176.524 174.987 1.537 25509 1542 1 3 . 1 1 18 18 ARG CA C 18 55.944 55.944 55.984 -0.040 25509 1543 1 3 . 1 1 18 18 ARG H H 18 8.318 8.318 8.411 -0.093 25509 1544 1 3 . 1 1 21 21 THR HA H 21 4.574 4.574 4.386 0.188 25509 1545 1 3 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.101 -0.071 25509 1546 1 3 . 1 1 22 22 VAL CA C 22 61.772 61.772 60.576 1.196 25509 1547 1 3 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.317 -0.238 25509 1548 1 3 . 1 1 24 24 LEU C C 24 174.326 174.326 176.456 -2.130 25509 1549 1 3 . 1 1 24 24 LEU CA C 24 54.203 54.203 53.886 0.317 25509 1550 1 3 . 1 1 25 25 CYS N N 25 126.908 126.908 122.361 4.547 25509 1551 1 3 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.307 -0.608 25509 1552 1 3 . 1 1 25 25 CYS C C 25 173.285 173.285 174.556 -1.271 25509 1553 1 3 . 1 1 25 25 CYS CA C 25 57.086 57.086 58.358 -1.272 25509 1554 1 3 . 1 1 25 25 CYS H H 25 9.325 9.325 8.579 0.746 25509 1555 1 3 . 1 1 26 26 TYR N N 26 120.745 120.745 122.670 -1.925 25509 1556 1 3 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.866 0.434 25509 1557 1 3 . 1 1 26 26 TYR C C 26 173.449 173.449 174.450 -1.001 25509 1558 1 3 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.838 -0.256 25509 1559 1 3 . 1 1 26 26 TYR H H 26 9.039 9.039 8.880 0.159 25509 1560 1 3 . 1 1 27 27 GLU N N 27 118.222 118.222 121.556 -3.334 25509 1561 1 3 . 1 1 27 27 GLU C C 27 175.348 175.348 175.968 -0.620 25509 1562 1 3 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.114 -0.566 25509 1563 1 3 . 1 1 27 27 GLU H H 27 9.358 9.358 8.833 0.525 25509 1564 1 3 . 1 1 28 28 VAL N N 28 124.182 124.182 126.760 -2.578 25509 1565 1 3 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.528 0.386 25509 1566 1 3 . 1 1 28 28 VAL C C 28 174.085 174.085 175.206 -1.121 25509 1567 1 3 . 1 1 28 28 VAL CA C 28 61.231 61.231 63.236 -2.005 25509 1568 1 3 . 1 1 28 28 VAL H H 28 9.479 9.479 9.415 0.064 25509 1569 1 3 . 1 1 29 29 LYS N N 29 127.566 127.566 125.818 1.748 25509 1570 1 3 . 1 1 29 29 LYS HA H 29 5.391 5.391 5.130 0.261 25509 1571 1 3 . 1 1 29 29 LYS C C 29 175.631 175.631 175.100 0.531 25509 1572 1 3 . 1 1 29 29 LYS CA C 29 54.136 54.136 53.225 0.911 25509 1573 1 3 . 1 1 29 29 LYS H H 29 9.151 9.151 8.695 0.456 25509 1574 1 3 . 1 1 30 30 THR N N 30 118.721 118.721 113.042 5.679 25509 1575 1 3 . 1 1 30 30 THR HA H 30 4.617 4.617 4.423 0.194 25509 1576 1 3 . 1 1 30 30 THR C C 30 173.948 173.948 174.627 -0.679 25509 1577 1 3 . 1 1 30 30 THR CA C 30 61.228 61.228 60.408 0.820 25509 1578 1 3 . 1 1 30 30 THR H H 30 8.615 8.615 8.136 0.479 25509 1579 1 3 . 1 1 31 31 LYS N N 31 125.634 125.634 123.586 2.048 25509 1580 1 3 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.432 -0.564 25509 1581 1 3 . 1 1 31 31 LYS C C 31 176.799 176.799 177.680 -0.881 25509 1582 1 3 . 1 1 31 31 LYS CA C 31 56.250 56.250 56.479 -0.229 25509 1583 1 3 . 1 1 31 31 LYS H H 31 8.400 8.400 8.490 -0.090 25509 1584 1 3 . 1 1 32 32 GLY N N 32 111.069 111.069 110.854 0.215 25509 1585 1 3 . 1 1 32 32 GLY C C 32 171.007 171.007 172.958 -1.951 25509 1586 1 3 . 1 1 32 32 GLY CA C 32 44.006 44.006 43.267 0.739 25509 1587 1 3 . 1 1 32 32 GLY H H 32 8.170 8.170 8.009 0.161 25509 1588 1 3 . 1 1 33 33 PRO C C 33 176.964 176.964 176.311 0.653 25509 1589 1 3 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.203 0.472 25509 1590 1 3 . 1 1 34 34 SER N N 34 117.301 117.301 115.685 1.616 25509 1591 1 3 . 1 1 34 34 SER HA H 34 4.372 4.372 4.532 -0.160 25509 1592 1 3 . 1 1 34 34 SER C C 34 173.728 173.728 175.663 -1.935 25509 1593 1 3 . 1 1 34 34 SER CA C 34 57.933 57.933 57.085 0.848 25509 1594 1 3 . 1 1 34 34 SER H H 34 8.383 8.383 8.361 0.022 25509 1595 1 3 . 1 1 35 35 ARG N N 35 123.829 123.829 120.909 2.920 25509 1596 1 3 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.362 0.210 25509 1597 1 3 . 1 1 35 35 ARG C C 35 173.256 173.256 175.438 -2.182 25509 1598 1 3 . 1 1 35 35 ARG CA C 35 53.217 53.217 57.072 -3.855 25509 1599 1 3 . 1 1 35 35 ARG H H 35 8.153 8.153 8.538 -0.385 25509 1600 1 3 . 1 1 37 37 PRO C C 37 176.060 176.060 176.914 -0.854 25509 1601 1 3 . 1 1 37 37 PRO CA C 37 63.234 63.234 62.960 0.274 25509 1602 1 3 . 1 1 38 38 LEU N N 38 126.508 126.508 122.792 3.716 25509 1603 1 3 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.474 -0.335 25509 1604 1 3 . 1 1 38 38 LEU C C 38 176.490 176.490 177.443 -0.953 25509 1605 1 3 . 1 1 38 38 LEU CA C 38 55.202 55.202 55.624 -0.422 25509 1606 1 3 . 1 1 38 38 LEU H H 38 8.347 8.347 8.303 0.044 25509 1607 1 3 . 1 1 39 39 ASP N N 39 120.060 120.060 117.533 2.527 25509 1608 1 3 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.616 -0.245 25509 1609 1 3 . 1 1 39 39 ASP C C 39 175.525 175.525 175.284 0.241 25509 1610 1 3 . 1 1 39 39 ASP CA C 39 53.948 53.948 54.491 -0.543 25509 1611 1 3 . 1 1 39 39 ASP H H 39 8.299 8.299 8.731 -0.432 25509 1612 1 3 . 1 1 40 40 ALA N N 40 123.020 123.020 123.004 0.016 25509 1613 1 3 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.434 -0.068 25509 1614 1 3 . 1 1 40 40 ALA C C 40 177.243 177.243 176.341 0.902 25509 1615 1 3 . 1 1 40 40 ALA CA C 40 51.583 51.583 51.590 -0.007 25509 1616 1 3 . 1 1 40 40 ALA H H 40 7.972 7.972 8.095 -0.123 25509 1617 1 3 . 1 1 41 41 LYS N N 41 120.582 120.582 115.625 4.957 25509 1618 1 3 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.102 0.248 25509 1619 1 3 . 1 1 41 41 LYS C C 41 175.874 175.874 175.090 0.784 25509 1620 1 3 . 1 1 41 41 LYS CA C 41 56.520 56.520 57.322 -0.802 25509 1621 1 3 . 1 1 41 41 LYS H H 41 8.286 8.286 8.333 -0.047 25509 1622 1 3 . 1 1 42 42 ILE N N 42 119.815 119.815 117.678 2.137 25509 1623 1 3 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.932 -0.054 25509 1624 1 3 . 1 1 42 42 ILE C C 42 174.828 174.828 175.251 -0.423 25509 1625 1 3 . 1 1 42 42 ILE CA C 42 59.878 59.878 59.907 -0.029 25509 1626 1 3 . 1 1 42 42 ILE H H 42 7.830 7.830 7.490 0.340 25509 1627 1 3 . 1 1 43 43 PHE N N 43 126.131 126.131 129.038 -2.907 25509 1628 1 3 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.905 -0.020 25509 1629 1 3 . 1 1 43 43 PHE C C 43 173.801 173.801 173.721 0.080 25509 1630 1 3 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.603 -0.330 25509 1631 1 3 . 1 1 43 43 PHE H H 43 8.780 8.780 8.841 -0.061 25509 1632 1 3 . 1 1 44 44 ARG N N 44 122.879 122.879 126.366 -3.487 25509 1633 1 3 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.237 0.269 25509 1634 1 3 . 1 1 44 44 ARG C C 44 175.196 175.196 175.627 -0.431 25509 1635 1 3 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.478 -0.211 25509 1636 1 3 . 1 1 44 44 ARG H H 44 8.368 8.368 8.091 0.277 25509 1637 1 3 . 1 1 45 45 GLY N N 45 108.917 108.917 110.534 -1.617 25509 1638 1 3 . 1 1 45 45 GLY C C 45 169.838 169.838 172.030 -2.192 25509 1639 1 3 . 1 1 45 45 GLY CA C 45 44.841 44.841 43.738 1.103 25509 1640 1 3 . 1 1 45 45 GLY H H 45 7.714 7.714 8.254 -0.540 25509 1641 1 3 . 1 1 46 46 GLN N N 46 113.774 113.774 116.651 -2.877 25509 1642 1 3 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.028 0.579 25509 1643 1 3 . 1 1 46 46 GLN C C 46 174.884 174.884 174.653 0.231 25509 1644 1 3 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.711 -0.805 25509 1645 1 3 . 1 1 46 46 GLN H H 46 8.411 8.411 8.551 -0.140 25509 1646 1 3 . 1 1 47 47 VAL N N 47 120.282 120.282 120.678 -0.396 25509 1647 1 3 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.227 0.148 25509 1648 1 3 . 1 1 47 47 VAL C C 47 172.005 172.005 175.307 -3.302 25509 1649 1 3 . 1 1 47 47 VAL CA C 47 59.977 59.977 62.036 -2.059 25509 1650 1 3 . 1 1 47 47 VAL H H 47 9.499 9.499 8.526 0.973 25509 1651 1 3 . 1 1 49 49 SER C C 49 173.486 173.486 173.705 -0.219 25509 1652 1 3 . 1 1 49 49 SER CA C 49 57.077 57.077 58.186 -1.109 25509 1653 1 3 . 1 1 50 50 GLU N N 50 123.998 123.998 126.586 -2.588 25509 1654 1 3 . 1 1 50 50 GLU C C 50 175.276 175.276 175.770 -0.494 25509 1655 1 3 . 1 1 50 50 GLU CA C 50 54.505 54.505 55.900 -1.395 25509 1656 1 3 . 1 1 50 50 GLU H H 50 8.748 8.748 9.125 -0.377 25509 1657 1 3 . 1 1 51 51 ASP N N 51 123.737 123.737 119.580 4.157 25509 1658 1 3 . 1 1 51 51 ASP C C 51 176.320 176.320 177.173 -0.853 25509 1659 1 3 . 1 1 51 51 ASP CA C 51 52.910 52.910 54.992 -2.082 25509 1660 1 3 . 1 1 51 51 ASP H H 51 8.479 8.479 8.289 0.190 25509 1661 1 3 . 1 1 52 52 LYS N N 52 114.578 114.578 119.549 -4.971 25509 1662 1 3 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.155 -0.023 25509 1663 1 3 . 1 1 52 52 LYS C C 52 175.538 175.538 176.793 -1.255 25509 1664 1 3 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.568 -0.479 25509 1665 1 3 . 1 1 52 52 LYS H H 52 7.677 7.677 7.814 -0.137 25509 1666 1 3 . 1 1 53 53 TYR N N 53 124.836 124.836 117.576 7.260 25509 1667 1 3 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.707 0.063 25509 1668 1 3 . 1 1 53 53 TYR C C 53 175.498 175.498 175.722 -0.224 25509 1669 1 3 . 1 1 53 53 TYR CA C 53 53.507 53.507 56.833 -3.326 25509 1670 1 3 . 1 1 53 53 TYR H H 53 8.490 8.490 8.183 0.307 25509 1671 1 3 . 1 1 54 54 HIS N N 54 128.974 128.974 124.836 4.138 25509 1672 1 3 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.927 -0.171 25509 1673 1 3 . 1 1 54 54 HIS C C 54 174.123 174.123 173.952 0.171 25509 1674 1 3 . 1 1 54 54 HIS CA C 54 53.734 53.734 58.762 -5.028 25509 1675 1 3 . 1 1 54 54 HIS H H 54 8.622 8.622 9.063 -0.441 25509 1676 1 3 . 1 1 56 56 GLU C C 56 178.356 178.356 176.760 1.596 25509 1677 1 3 . 1 1 56 56 GLU CA C 56 60.597 60.597 55.633 4.964 25509 1678 1 3 . 1 1 57 57 MET N N 57 113.971 113.971 118.355 -4.384 25509 1679 1 3 . 1 1 57 57 MET HA H 57 4.433 4.433 4.198 0.235 25509 1680 1 3 . 1 1 57 57 MET C C 57 180.454 180.454 177.620 2.834 25509 1681 1 3 . 1 1 57 57 MET CA C 57 55.453 55.453 57.099 -1.646 25509 1682 1 3 . 1 1 57 57 MET H H 57 6.807 6.807 7.562 -0.755 25509 1683 1 3 . 1 1 58 58 ARG N N 58 123.367 123.367 119.481 3.886 25509 1684 1 3 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.045 -0.281 25509 1685 1 3 . 1 1 58 58 ARG C C 58 179.588 179.588 177.683 1.905 25509 1686 1 3 . 1 1 58 58 ARG CA C 58 58.505 58.505 59.231 -0.726 25509 1687 1 3 . 1 1 58 58 ARG H H 58 7.658 7.658 8.069 -0.411 25509 1688 1 3 . 1 1 59 59 PHE N N 59 121.256 121.256 119.616 1.640 25509 1689 1 3 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.074 -0.516 25509 1690 1 3 . 1 1 59 59 PHE C C 59 175.915 175.915 176.236 -0.321 25509 1691 1 3 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.748 1.607 25509 1692 1 3 . 1 1 59 59 PHE H H 59 8.925 8.925 7.453 1.472 25509 1693 1 3 . 1 1 60 60 LEU N N 60 118.280 118.280 118.526 -0.246 25509 1694 1 3 . 1 1 60 60 LEU HA H 60 3.472 3.472 4.003 -0.531 25509 1695 1 3 . 1 1 60 60 LEU C C 60 179.572 179.572 178.699 0.873 25509 1696 1 3 . 1 1 60 60 LEU CA C 60 57.365 57.365 58.001 -0.636 25509 1697 1 3 . 1 1 60 60 LEU H H 60 7.587 7.587 7.994 -0.407 25509 1698 1 3 . 1 1 61 61 SER N N 61 115.099 115.099 115.627 -0.528 25509 1699 1 3 . 1 1 61 61 SER HA H 61 4.053 4.053 4.084 -0.031 25509 1700 1 3 . 1 1 61 61 SER C C 61 176.822 176.822 176.525 0.297 25509 1701 1 3 . 1 1 61 61 SER CA C 61 60.923 60.923 61.507 -0.584 25509 1702 1 3 . 1 1 61 61 SER H H 61 7.479 7.479 7.649 -0.170 25509 1703 1 3 . 1 1 62 62 LEU N N 62 123.881 123.881 118.451 5.430 25509 1704 1 3 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.962 -0.568 25509 1705 1 3 . 1 1 62 62 LEU C C 62 177.319 177.319 177.320 -0.001 25509 1706 1 3 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.654 -0.777 25509 1707 1 3 . 1 1 62 62 LEU H H 62 7.302 7.302 7.244 0.058 25509 1708 1 3 . 1 1 63 63 VAL N N 63 115.745 115.745 118.609 -2.864 25509 1709 1 3 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.167 -0.488 25509 1710 1 3 . 1 1 63 63 VAL C C 63 178.913 178.913 177.060 1.853 25509 1711 1 3 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.170 -0.603 25509 1712 1 3 . 1 1 63 63 VAL H H 63 7.039 7.039 7.060 -0.021 25509 1713 1 3 . 1 1 64 64 SER N N 64 114.324 114.324 113.008 1.316 25509 1714 1 3 . 1 1 64 64 SER C C 64 176.376 176.376 175.916 0.460 25509 1715 1 3 . 1 1 64 64 SER CA C 64 60.925 60.925 60.820 0.105 25509 1716 1 3 . 1 1 64 64 SER H H 64 7.205 7.205 7.384 -0.179 25509 1717 1 3 . 1 1 65 65 LYS N N 65 121.823 121.823 118.855 2.968 25509 1718 1 3 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.309 -0.234 25509 1719 1 3 . 1 1 65 65 LYS C C 65 178.346 178.346 176.935 1.411 25509 1720 1 3 . 1 1 65 65 LYS CA C 65 57.294 57.294 56.621 0.673 25509 1721 1 3 . 1 1 65 65 LYS H H 65 7.294 7.294 7.808 -0.514 25509 1722 1 3 . 1 1 66 66 TRP N N 66 120.291 120.291 121.002 -0.711 25509 1723 1 3 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.545 -0.070 25509 1724 1 3 . 1 1 66 66 TRP CA C 66 56.009 56.009 56.195 -0.186 25509 1725 1 3 . 1 1 66 66 TRP H H 66 7.834 7.834 7.619 0.215 25509 1726 1 3 . 1 1 69 69 HIS C C 69 176.475 176.475 174.490 1.985 25509 1727 1 3 . 1 1 69 69 HIS CA C 69 56.029 56.029 56.209 -0.180 25509 1728 1 3 . 1 1 70 70 ARG N N 70 121.733 121.733 125.898 -4.165 25509 1729 1 3 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.308 -0.811 25509 1730 1 3 . 1 1 70 70 ARG C C 70 175.806 175.806 176.051 -0.245 25509 1731 1 3 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.760 0.582 25509 1732 1 3 . 1 1 70 70 ARG H H 70 8.527 8.527 8.365 0.162 25509 1733 1 3 . 1 1 71 71 ASP N N 71 116.800 116.800 125.021 -8.221 25509 1734 1 3 . 1 1 71 71 ASP C C 71 175.213 175.213 176.764 -1.551 25509 1735 1 3 . 1 1 71 71 ASP CA C 71 53.027 53.027 56.804 -3.777 25509 1736 1 3 . 1 1 71 71 ASP H H 71 8.599 8.599 9.033 -0.434 25509 1737 1 3 . 1 1 72 72 GLN N N 72 119.761 119.761 117.424 2.337 25509 1738 1 3 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.562 -0.040 25509 1739 1 3 . 1 1 72 72 GLN C C 72 172.972 172.972 174.916 -1.944 25509 1740 1 3 . 1 1 72 72 GLN CA C 72 53.807 53.807 56.172 -2.365 25509 1741 1 3 . 1 1 72 72 GLN H H 72 7.629 7.629 8.330 -0.701 25509 1742 1 3 . 1 1 73 73 GLU N N 73 117.994 117.994 117.990 0.004 25509 1743 1 3 . 1 1 73 73 GLU C C 73 176.011 176.011 175.010 1.001 25509 1744 1 3 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.510 -0.614 25509 1745 1 3 . 1 1 73 73 GLU H H 73 7.984 7.984 8.003 -0.019 25509 1746 1 3 . 1 1 74 74 TYR N N 74 120.098 120.098 120.567 -0.469 25509 1747 1 3 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.858 0.265 25509 1748 1 3 . 1 1 74 74 TYR C C 74 174.675 174.675 173.885 0.790 25509 1749 1 3 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.174 -0.432 25509 1750 1 3 . 1 1 74 74 TYR H H 74 8.860 8.860 8.788 0.072 25509 1751 1 3 . 1 1 75 75 GLU N N 75 123.539 123.539 122.286 1.253 25509 1752 1 3 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.204 -0.311 25509 1753 1 3 . 1 1 75 75 GLU C C 75 175.614 175.614 174.667 0.947 25509 1754 1 3 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.351 0.220 25509 1755 1 3 . 1 1 75 75 GLU H H 75 9.321 9.321 8.761 0.560 25509 1756 1 3 . 1 1 76 76 VAL N N 76 128.647 128.647 127.187 1.460 25509 1757 1 3 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.093 0.093 25509 1758 1 3 . 1 1 76 76 VAL C C 76 175.004 175.004 175.036 -0.032 25509 1759 1 3 . 1 1 76 76 VAL CA C 76 60.376 60.376 59.991 0.385 25509 1760 1 3 . 1 1 76 76 VAL H H 76 9.399 9.399 8.955 0.444 25509 1761 1 3 . 1 1 77 77 THR N N 77 126.297 126.297 122.791 3.506 25509 1762 1 3 . 1 1 77 77 THR HA H 77 5.223 5.223 4.529 0.694 25509 1763 1 3 . 1 1 77 77 THR C C 77 173.353 173.353 173.413 -0.060 25509 1764 1 3 . 1 1 77 77 THR CA C 77 61.442 61.442 62.175 -0.733 25509 1765 1 3 . 1 1 77 77 THR H H 77 9.597 9.597 8.414 1.183 25509 1766 1 3 . 1 1 78 78 TRP N N 78 125.914 125.914 127.497 -1.583 25509 1767 1 3 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.820 0.850 25509 1768 1 3 . 1 1 78 78 TRP C C 78 174.723 174.723 174.410 0.313 25509 1769 1 3 . 1 1 78 78 TRP CA C 78 48.205 48.205 54.882 -6.677 25509 1770 1 3 . 1 1 78 78 TRP H H 78 9.173 9.173 9.109 0.064 25509 1771 1 3 . 1 1 79 79 TYR N N 79 120.962 120.962 124.707 -3.745 25509 1772 1 3 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.750 0.567 25509 1773 1 3 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.193 -1.494 25509 1774 1 3 . 1 1 79 79 TYR H H 79 9.322 9.322 9.225 0.097 25509 1775 1 3 . 1 1 80 80 ILE N N 80 125.201 125.201 122.592 2.609 25509 1776 1 3 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.400 1.529 25509 1777 1 3 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.031 -16.195 25509 1778 1 3 . 1 1 80 80 ILE H H 80 9.634 9.634 8.459 1.175 25509 1779 1 3 . 1 1 86 86 THR HA H 86 3.629 3.629 4.171 -0.542 25509 1780 1 3 . 1 1 86 86 THR C C 86 175.273 175.273 176.254 -0.981 25509 1781 1 3 . 1 1 86 86 THR CA C 86 60.845 60.845 65.786 -4.941 25509 1782 1 3 . 1 1 87 87 LYS N N 87 121.904 121.904 121.771 0.133 25509 1783 1 3 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.365 -0.422 25509 1784 1 3 . 1 1 87 87 LYS C C 87 178.969 178.969 178.832 0.137 25509 1785 1 3 . 1 1 87 87 LYS CA C 87 59.326 59.326 58.903 0.423 25509 1786 1 3 . 1 1 87 87 LYS H H 87 7.728 7.728 8.348 -0.620 25509 1787 1 3 . 1 1 88 88 CYS N N 88 121.877 121.877 119.076 2.801 25509 1788 1 3 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.597 -0.663 25509 1789 1 3 . 1 1 88 88 CYS C C 88 178.168 178.168 177.308 0.860 25509 1790 1 3 . 1 1 88 88 CYS CA C 88 65.201 65.201 62.306 2.896 25509 1791 1 3 . 1 1 88 88 CYS H H 88 8.717 8.717 8.248 0.469 25509 1792 1 3 . 1 1 89 89 ALA N N 89 120.872 120.872 123.573 -2.701 25509 1793 1 3 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.192 -0.303 25509 1794 1 3 . 1 1 89 89 ALA C C 89 179.782 179.782 179.366 0.416 25509 1795 1 3 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.134 0.166 25509 1796 1 3 . 1 1 89 89 ALA H H 89 9.009 9.009 8.306 0.703 25509 1797 1 3 . 1 1 90 90 ARG N N 90 117.797 117.797 117.039 0.758 25509 1798 1 3 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.072 -0.087 25509 1799 1 3 . 1 1 90 90 ARG C C 90 179.333 179.333 178.211 1.122 25509 1800 1 3 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.090 0.263 25509 1801 1 3 . 1 1 90 90 ARG H H 90 7.912 7.912 7.582 0.330 25509 1802 1 3 . 1 1 91 91 ASP N N 91 121.892 121.892 120.084 1.808 25509 1803 1 3 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.468 0.007 25509 1804 1 3 . 1 1 91 91 ASP C C 91 180.593 180.593 177.952 2.641 25509 1805 1 3 . 1 1 91 91 ASP CA C 91 57.329 57.329 56.967 0.362 25509 1806 1 3 . 1 1 91 91 ASP H H 91 8.413 8.413 8.380 0.033 25509 1807 1 3 . 1 1 92 92 MET N N 92 121.165 121.165 118.681 2.484 25509 1808 1 3 . 1 1 92 92 MET HA H 92 4.453 4.453 4.243 0.210 25509 1809 1 3 . 1 1 92 92 MET C C 92 177.594 177.594 177.817 -0.223 25509 1810 1 3 . 1 1 92 92 MET CA C 92 56.255 56.255 59.462 -3.208 25509 1811 1 3 . 1 1 92 92 MET H H 92 8.986 8.986 7.762 1.224 25509 1812 1 3 . 1 1 93 93 ALA N N 93 124.315 124.315 120.378 3.937 25509 1813 1 3 . 1 1 93 93 ALA HA H 93 3.818 3.818 3.986 -0.168 25509 1814 1 3 . 1 1 93 93 ALA C C 93 179.351 179.351 179.677 -0.326 25509 1815 1 3 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.047 0.411 25509 1816 1 3 . 1 1 93 93 ALA H H 93 8.090 8.090 7.862 0.228 25509 1817 1 3 . 1 1 94 94 THR N N 94 115.375 115.375 116.076 -0.701 25509 1818 1 3 . 1 1 94 94 THR HA H 94 3.854 3.854 4.072 -0.218 25509 1819 1 3 . 1 1 94 94 THR C C 94 175.971 175.971 176.312 -0.341 25509 1820 1 3 . 1 1 94 94 THR CA C 94 66.140 66.140 66.970 -0.830 25509 1821 1 3 . 1 1 94 94 THR H H 94 7.908 7.908 7.501 0.407 25509 1822 1 3 . 1 1 95 95 PHE N N 95 121.559 121.559 123.310 -1.751 25509 1823 1 3 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.239 -0.050 25509 1824 1 3 . 1 1 95 95 PHE C C 95 178.456 178.456 176.642 1.814 25509 1825 1 3 . 1 1 95 95 PHE CA C 95 61.307 61.307 61.147 0.160 25509 1826 1 3 . 1 1 95 95 PHE H H 95 7.845 7.845 8.063 -0.218 25509 1827 1 3 . 1 1 96 96 LEU N N 96 120.614 120.614 119.739 0.875 25509 1828 1 3 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.422 0.329 25509 1829 1 3 . 1 1 96 96 LEU C C 96 179.846 179.846 178.627 1.219 25509 1830 1 3 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.446 -0.325 25509 1831 1 3 . 1 1 96 96 LEU H H 96 8.493 8.493 8.090 0.403 25509 1832 1 3 . 1 1 97 97 GLN N N 97 118.135 118.135 118.095 0.040 25509 1833 1 3 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.050 0.022 25509 1834 1 3 . 1 1 97 97 GLN C C 97 177.940 177.940 178.066 -0.126 25509 1835 1 3 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.482 -0.493 25509 1836 1 3 . 1 1 97 97 GLN H H 97 7.971 7.971 8.320 -0.349 25509 1837 1 3 . 1 1 98 98 GLU N N 98 115.676 115.676 118.185 -2.509 25509 1838 1 3 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.166 0.056 25509 1839 1 3 . 1 1 98 98 GLU C C 98 176.364 176.364 177.479 -1.115 25509 1840 1 3 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.792 -1.327 25509 1841 1 3 . 1 1 98 98 GLU H H 98 7.473 7.473 7.960 -0.487 25509 1842 1 3 . 1 1 99 99 ASN N N 99 121.312 121.312 117.129 4.183 25509 1843 1 3 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.622 0.364 25509 1844 1 3 . 1 1 99 99 ASN C C 99 174.155 174.155 176.110 -1.955 25509 1845 1 3 . 1 1 99 99 ASN CA C 99 51.958 51.958 55.030 -3.072 25509 1846 1 3 . 1 1 99 99 ASN H H 99 7.520 7.520 7.530 -0.010 25509 1847 1 3 . 1 1 100 100 THR N N 100 111.032 111.032 111.256 -0.224 25509 1848 1 3 . 1 1 100 100 THR HA H 100 4.438 4.438 3.764 0.674 25509 1849 1 3 . 1 1 100 100 THR C C 100 174.600 174.600 174.561 0.039 25509 1850 1 3 . 1 1 100 100 THR CA C 100 63.613 63.613 65.399 -1.786 25509 1851 1 3 . 1 1 100 100 THR H H 100 7.985 7.985 8.350 -0.365 25509 1852 1 3 . 1 1 101 101 HIS C C 101 173.419 173.419 174.426 -1.007 25509 1853 1 3 . 1 1 101 101 HIS CA C 101 56.546 56.546 55.486 1.060 25509 1854 1 3 . 1 1 102 102 VAL N N 102 123.373 123.373 120.332 3.041 25509 1855 1 3 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.071 -0.428 25509 1856 1 3 . 1 1 102 102 VAL C C 102 174.248 174.248 174.940 -0.692 25509 1857 1 3 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.842 1.173 25509 1858 1 3 . 1 1 102 102 VAL H H 102 7.561 7.561 7.310 0.251 25509 1859 1 3 . 1 1 103 103 THR N N 103 119.261 119.261 119.951 -0.690 25509 1860 1 3 . 1 1 103 103 THR HA H 103 4.702 4.702 4.990 -0.288 25509 1861 1 3 . 1 1 103 103 THR C C 103 173.198 173.198 173.545 -0.347 25509 1862 1 3 . 1 1 103 103 THR CA C 103 59.956 59.956 59.649 0.307 25509 1863 1 3 . 1 1 103 103 THR H H 103 8.370 8.370 8.629 -0.259 25509 1864 1 3 . 1 1 104 104 LEU N N 104 128.085 128.085 125.118 2.967 25509 1865 1 3 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.793 0.330 25509 1866 1 3 . 1 1 104 104 LEU C C 104 175.009 175.009 175.549 -0.540 25509 1867 1 3 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.430 -0.199 25509 1868 1 3 . 1 1 104 104 LEU H H 104 9.373 9.373 8.600 0.773 25509 1869 1 3 . 1 1 105 105 THR N N 105 126.064 126.064 119.919 6.145 25509 1870 1 3 . 1 1 105 105 THR HA H 105 4.560 4.560 4.851 -0.291 25509 1871 1 3 . 1 1 105 105 THR C C 105 171.873 171.873 174.326 -2.453 25509 1872 1 3 . 1 1 105 105 THR CA C 105 61.546 61.546 60.916 0.630 25509 1873 1 3 . 1 1 105 105 THR H H 105 8.561 8.561 8.867 -0.306 25509 1874 1 3 . 1 1 106 106 ILE N N 106 125.679 125.679 125.767 -0.088 25509 1875 1 3 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.374 -0.167 25509 1876 1 3 . 1 1 106 106 ILE C C 106 172.536 172.536 174.466 -1.930 25509 1877 1 3 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.488 -2.601 25509 1878 1 3 . 1 1 106 106 ILE H H 106 9.190 9.190 8.538 0.652 25509 1879 1 3 . 1 1 107 107 PHE N N 107 126.337 126.337 127.228 -0.891 25509 1880 1 3 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.927 -0.671 25509 1881 1 3 . 1 1 107 107 PHE C C 107 175.694 175.694 175.099 0.595 25509 1882 1 3 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.640 0.702 25509 1883 1 3 . 1 1 107 107 PHE H H 107 9.135 9.135 9.336 -0.201 25509 1884 1 3 . 1 1 108 108 VAL N N 108 118.789 118.789 120.791 -2.002 25509 1885 1 3 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.885 0.135 25509 1886 1 3 . 1 1 108 108 VAL C C 108 176.539 176.539 173.942 2.597 25509 1887 1 3 . 1 1 108 108 VAL CA C 108 58.498 58.498 59.187 -0.689 25509 1888 1 3 . 1 1 108 108 VAL H H 108 8.936 8.936 8.137 0.799 25509 1889 1 3 . 1 1 109 109 ALA N N 109 129.108 129.108 127.926 1.182 25509 1890 1 3 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.579 -0.055 25509 1891 1 3 . 1 1 109 109 ALA C C 109 175.933 175.933 177.078 -1.145 25509 1892 1 3 . 1 1 109 109 ALA CA C 109 55.038 55.038 51.251 3.787 25509 1893 1 3 . 1 1 109 109 ALA H H 109 8.509 8.509 8.613 -0.104 25509 1894 1 3 . 1 1 110 110 ARG N N 110 110.165 110.165 121.497 -11.332 25509 1895 1 3 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.361 0.144 25509 1896 1 3 . 1 1 110 110 ARG C C 110 175.120 175.120 175.925 -0.805 25509 1897 1 3 . 1 1 110 110 ARG CA C 110 54.555 54.555 57.459 -2.904 25509 1898 1 3 . 1 1 110 110 ARG H H 110 6.677 6.677 7.663 -0.986 25509 1899 1 3 . 1 1 111 111 LEU N N 111 119.767 119.767 122.301 -2.534 25509 1900 1 3 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.806 -0.291 25509 1901 1 3 . 1 1 111 111 LEU CA C 111 53.198 53.198 54.302 -1.104 25509 1902 1 3 . 1 1 111 111 LEU H H 111 7.031 7.031 8.301 -1.270 25509 1903 1 3 . 1 1 117 117 PRO C C 117 178.666 178.666 175.381 3.285 25509 1904 1 3 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.386 1.610 25509 1905 1 3 . 1 1 118 118 ASP N N 118 118.659 118.659 120.477 -1.818 25509 1906 1 3 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.844 -0.410 25509 1907 1 3 . 1 1 118 118 ASP C C 118 178.263 178.263 176.687 1.576 25509 1908 1 3 . 1 1 118 118 ASP CA C 118 56.740 56.740 55.413 1.327 25509 1909 1 3 . 1 1 118 118 ASP H H 118 8.215 8.215 8.530 -0.315 25509 1910 1 3 . 1 1 119 119 TYR N N 119 122.818 122.818 121.996 0.822 25509 1911 1 3 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.063 0.141 25509 1912 1 3 . 1 1 119 119 TYR C C 119 177.538 177.538 177.242 0.296 25509 1913 1 3 . 1 1 119 119 TYR CA C 119 60.942 60.942 62.386 -1.444 25509 1914 1 3 . 1 1 119 119 TYR H H 119 7.994 7.994 7.854 0.140 25509 1915 1 3 . 1 1 120 120 GLN N N 120 117.143 117.143 117.462 -0.319 25509 1916 1 3 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.735 -0.227 25509 1917 1 3 . 1 1 120 120 GLN C C 120 177.702 177.702 178.229 -0.527 25509 1918 1 3 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.994 -1.008 25509 1919 1 3 . 1 1 120 120 GLN H H 120 7.898 7.898 8.770 -0.872 25509 1920 1 3 . 1 1 121 121 GLU N N 121 117.707 117.707 119.005 -1.298 25509 1921 1 3 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.013 -0.122 25509 1922 1 3 . 1 1 121 121 GLU C C 121 178.815 178.815 178.442 0.373 25509 1923 1 3 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.625 -0.022 25509 1924 1 3 . 1 1 121 121 GLU H H 121 7.829 7.829 8.300 -0.471 25509 1925 1 3 . 1 1 122 122 ALA N N 122 123.710 123.710 122.652 1.058 25509 1926 1 3 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.095 -0.195 25509 1927 1 3 . 1 1 122 122 ALA C C 122 180.296 180.296 179.534 0.762 25509 1928 1 3 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.621 0.328 25509 1929 1 3 . 1 1 122 122 ALA H H 122 7.881 7.881 7.912 -0.031 25509 1930 1 3 . 1 1 123 123 LEU N N 123 119.307 119.307 118.446 0.861 25509 1931 1 3 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.868 -0.077 25509 1932 1 3 . 1 1 123 123 LEU C C 123 179.075 179.075 179.027 0.048 25509 1933 1 3 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.672 -0.135 25509 1934 1 3 . 1 1 123 123 LEU H H 123 8.073 8.073 7.786 0.287 25509 1935 1 3 . 1 1 124 124 ARG N N 124 118.146 118.146 119.086 -0.940 25509 1936 1 3 . 1 1 124 124 ARG HA H 124 3.832 3.832 4.004 -0.172 25509 1937 1 3 . 1 1 124 124 ARG C C 124 179.745 179.745 178.938 0.807 25509 1938 1 3 . 1 1 124 124 ARG CA C 124 60.155 60.155 58.514 1.641 25509 1939 1 3 . 1 1 124 124 ARG H H 124 8.074 8.074 7.648 0.426 25509 1940 1 3 . 1 1 125 125 SER N N 125 117.399 117.399 116.041 1.358 25509 1941 1 3 . 1 1 125 125 SER HA H 125 4.151 4.151 4.223 -0.072 25509 1942 1 3 . 1 1 125 125 SER C C 125 176.389 176.389 176.568 -0.179 25509 1943 1 3 . 1 1 125 125 SER CA C 125 54.752 54.752 62.138 -7.386 25509 1944 1 3 . 1 1 125 125 SER H H 125 8.471 8.471 8.064 0.407 25509 1945 1 3 . 1 1 126 126 LEU N N 126 125.924 125.924 122.608 3.316 25509 1946 1 3 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.045 -0.075 25509 1947 1 3 . 1 1 126 126 LEU C C 126 177.721 177.721 177.848 -0.127 25509 1948 1 3 . 1 1 126 126 LEU CA C 126 57.423 57.423 57.211 0.212 25509 1949 1 3 . 1 1 126 126 LEU H H 126 7.621 7.621 7.703 -0.082 25509 1950 1 3 . 1 1 127 127 ALA N N 127 122.932 122.932 120.601 2.331 25509 1951 1 3 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.097 0.579 25509 1952 1 3 . 1 1 127 127 ALA C C 127 182.614 182.614 180.220 2.394 25509 1953 1 3 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.451 -0.477 25509 1954 1 3 . 1 1 127 127 ALA H H 127 7.973 7.973 7.661 0.312 25509 1955 1 3 . 1 1 128 128 GLN N N 128 120.408 120.408 117.803 2.605 25509 1956 1 3 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.052 -0.023 25509 1957 1 3 . 1 1 128 128 GLN C C 128 177.613 177.613 177.633 -0.020 25509 1958 1 3 . 1 1 128 128 GLN CA C 128 58.051 58.051 57.853 0.198 25509 1959 1 3 . 1 1 128 128 GLN H H 128 8.690 8.690 7.785 0.905 25509 1960 1 3 . 1 1 129 129 ALA N N 129 120.391 120.391 119.800 0.591 25509 1961 1 3 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.135 0.148 25509 1962 1 3 . 1 1 129 129 ALA C C 129 177.019 177.019 177.216 -0.197 25509 1963 1 3 . 1 1 129 129 ALA CA C 129 52.171 52.171 53.303 -1.132 25509 1964 1 3 . 1 1 129 129 ALA H H 129 7.542 7.542 7.407 0.135 25509 1965 1 3 . 1 1 130 130 GLY N N 130 104.533 104.533 102.892 1.641 25509 1966 1 3 . 1 1 130 130 GLY C C 130 175.291 175.291 172.398 2.893 25509 1967 1 3 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.506 -0.231 25509 1968 1 3 . 1 1 130 130 GLY H H 130 7.760 7.760 7.345 0.415 25509 1969 1 3 . 1 1 131 131 ALA N N 131 124.759 124.759 122.327 2.432 25509 1970 1 3 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.442 -0.855 25509 1971 1 3 . 1 1 131 131 ALA C C 131 177.045 177.045 175.626 1.419 25509 1972 1 3 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.394 1.220 25509 1973 1 3 . 1 1 131 131 ALA H H 131 7.543 7.543 7.551 -0.008 25509 1974 1 3 . 1 1 132 132 THR N N 132 120.565 120.565 116.468 4.097 25509 1975 1 3 . 1 1 132 132 THR HA H 132 4.293 4.293 4.587 -0.294 25509 1976 1 3 . 1 1 132 132 THR C C 132 172.940 172.940 173.130 -0.190 25509 1977 1 3 . 1 1 132 132 THR CA C 132 62.285 62.285 62.062 0.223 25509 1978 1 3 . 1 1 132 132 THR H H 132 7.983 7.983 8.853 -0.870 25509 1979 1 3 . 1 1 133 133 ILE N N 133 128.874 128.874 127.878 0.996 25509 1980 1 3 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.909 -0.204 25509 1981 1 3 . 1 1 133 133 ILE C C 133 173.707 173.707 174.585 -0.878 25509 1982 1 3 . 1 1 133 133 ILE CA C 133 59.898 59.898 59.879 0.019 25509 1983 1 3 . 1 1 133 133 ILE H H 133 8.641 8.641 8.662 -0.021 25509 1984 1 3 . 1 1 134 134 LYS N N 134 125.904 125.904 124.460 1.444 25509 1985 1 3 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.598 -0.108 25509 1986 1 3 . 1 1 134 134 LYS C C 134 174.736 174.736 174.226 0.510 25509 1987 1 3 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.630 0.275 25509 1988 1 3 . 1 1 134 134 LYS H H 134 8.878 8.878 8.265 0.613 25509 1989 1 3 . 1 1 135 135 ILE N N 135 121.444 121.444 122.230 -0.786 25509 1990 1 3 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.546 0.098 25509 1991 1 3 . 1 1 135 135 ILE C C 135 177.563 177.563 177.420 0.143 25509 1992 1 3 . 1 1 135 135 ILE CA C 135 56.834 56.834 59.881 -3.047 25509 1993 1 3 . 1 1 135 135 ILE H H 135 8.601 8.601 8.027 0.574 25509 1994 1 3 . 1 1 136 136 MET N N 136 124.557 124.557 124.789 -0.232 25509 1995 1 3 . 1 1 136 136 MET HA H 136 3.741 3.741 4.462 -0.721 25509 1996 1 3 . 1 1 136 136 MET C C 136 174.070 174.070 174.871 -0.801 25509 1997 1 3 . 1 1 136 136 MET CA C 136 58.298 58.298 56.491 1.807 25509 1998 1 3 . 1 1 136 136 MET H H 136 8.550 8.550 7.974 0.576 25509 1999 1 3 . 1 1 137 137 ASN N N 137 126.678 126.678 121.229 5.449 25509 2000 1 3 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.239 -0.231 25509 2001 1 3 . 1 1 137 137 ASN C C 137 174.733 174.733 175.869 -1.136 25509 2002 1 3 . 1 1 137 137 ASN CA C 137 50.894 50.894 51.758 -0.864 25509 2003 1 3 . 1 1 137 137 ASN H H 137 9.480 9.480 8.459 1.021 25509 2004 1 3 . 1 1 138 138 TYR N N 138 123.587 123.587 122.336 1.251 25509 2005 1 3 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.436 -0.595 25509 2006 1 3 . 1 1 138 138 TYR C C 138 176.154 176.154 176.106 0.048 25509 2007 1 3 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.527 1.284 25509 2008 1 3 . 1 1 138 138 TYR H H 138 9.914 9.914 9.205 0.709 25509 2009 1 3 . 1 1 139 139 ASP N N 139 116.024 116.024 116.179 -0.155 25509 2010 1 3 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.062 0.054 25509 2011 1 3 . 1 1 139 139 ASP C C 139 179.067 179.067 177.922 1.145 25509 2012 1 3 . 1 1 139 139 ASP CA C 139 57.491 57.491 56.724 0.767 25509 2013 1 3 . 1 1 139 139 ASP H H 139 8.976 8.976 8.517 0.459 25509 2014 1 3 . 1 1 140 140 GLU N N 140 118.087 118.087 120.718 -2.631 25509 2015 1 3 . 1 1 140 140 GLU HA H 140 3.826 3.826 4.138 -0.312 25509 2016 1 3 . 1 1 140 140 GLU C C 140 178.692 178.692 177.959 0.733 25509 2017 1 3 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.402 2.198 25509 2018 1 3 . 1 1 140 140 GLU H H 140 7.540 7.540 8.004 -0.464 25509 2019 1 3 . 1 1 141 141 PHE N N 141 119.608 119.608 120.504 -0.896 25509 2020 1 3 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.428 -0.640 25509 2021 1 3 . 1 1 141 141 PHE C C 141 176.881 176.881 178.120 -1.239 25509 2022 1 3 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.008 1.695 25509 2023 1 3 . 1 1 141 141 PHE H H 141 8.032 8.032 7.765 0.267 25509 2024 1 3 . 1 1 142 142 GLN N N 142 118.759 118.759 118.830 -0.071 25509 2025 1 3 . 1 1 142 142 GLN HA H 142 4.021 4.021 3.980 0.041 25509 2026 1 3 . 1 1 142 142 GLN C C 142 177.945 177.945 178.115 -0.170 25509 2027 1 3 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.102 -0.323 25509 2028 1 3 . 1 1 142 142 GLN H H 142 8.223 8.223 8.572 -0.350 25509 2029 1 3 . 1 1 143 143 HIS N N 143 120.774 120.774 120.754 0.020 25509 2030 1 3 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.433 -0.455 25509 2031 1 3 . 1 1 143 143 HIS C C 143 177.147 177.147 177.208 -0.061 25509 2032 1 3 . 1 1 143 143 HIS CA C 143 59.367 59.367 58.749 0.618 25509 2033 1 3 . 1 1 143 143 HIS H H 143 7.924 7.924 7.485 0.439 25509 2034 1 3 . 1 1 144 144 CYS N N 144 117.600 117.600 118.895 -1.295 25509 2035 1 3 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.061 -0.223 25509 2036 1 3 . 1 1 144 144 CYS C C 144 176.233 176.233 176.780 -0.547 25509 2037 1 3 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.444 -0.591 25509 2038 1 3 . 1 1 144 144 CYS H H 144 7.892 7.892 8.501 -0.609 25509 2039 1 3 . 1 1 145 145 TRP N N 145 120.806 120.806 122.237 -1.431 25509 2040 1 3 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.959 -0.690 25509 2041 1 3 . 1 1 145 145 TRP C C 145 177.085 177.085 177.082 0.003 25509 2042 1 3 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.397 -0.944 25509 2043 1 3 . 1 1 145 145 TRP H H 145 8.201 8.201 8.897 -0.696 25509 2044 1 3 . 1 1 146 146 SER N N 146 111.555 111.555 113.067 -1.512 25509 2045 1 3 . 1 1 146 146 SER C C 146 176.199 176.199 176.607 -0.408 25509 2046 1 3 . 1 1 146 146 SER CA C 146 60.827 60.827 60.616 0.211 25509 2047 1 3 . 1 1 146 146 SER H H 146 8.032 8.032 7.671 0.361 25509 2048 1 3 . 1 1 147 147 LYS N N 147 115.563 115.563 122.774 -7.211 25509 2049 1 3 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.020 -0.046 25509 2050 1 3 . 1 1 147 147 LYS C C 147 177.448 177.448 178.093 -0.645 25509 2051 1 3 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.699 -2.235 25509 2052 1 3 . 1 1 147 147 LYS H H 147 7.684 7.684 7.732 -0.048 25509 2053 1 3 . 1 1 148 148 PHE N N 148 113.648 113.648 116.810 -3.162 25509 2054 1 3 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.448 0.029 25509 2055 1 3 . 1 1 148 148 PHE C C 148 174.293 174.293 175.637 -1.344 25509 2056 1 3 . 1 1 148 148 PHE CA C 148 58.180 58.180 58.734 -0.554 25509 2057 1 3 . 1 1 148 148 PHE H H 148 8.134 8.134 8.145 -0.011 25509 2058 1 3 . 1 1 149 149 VAL N N 149 119.139 119.139 118.044 1.095 25509 2059 1 3 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.950 0.159 25509 2060 1 3 . 1 1 149 149 VAL C C 149 175.690 175.690 175.150 0.540 25509 2061 1 3 . 1 1 149 149 VAL CA C 149 60.309 60.309 60.367 -0.058 25509 2062 1 3 . 1 1 149 149 VAL H H 149 6.787 6.787 7.289 -0.502 25509 2063 1 3 . 1 1 150 150 TYR N N 150 129.042 129.042 123.316 5.726 25509 2064 1 3 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.104 0.460 25509 2065 1 3 . 1 1 150 150 TYR C C 150 173.826 173.826 177.078 -3.252 25509 2066 1 3 . 1 1 150 150 TYR CA C 150 55.580 55.580 61.077 -5.497 25509 2067 1 3 . 1 1 150 150 TYR H H 150 8.552 8.552 8.308 0.244 25509 2068 1 3 . 1 1 151 151 SER N N 151 119.931 119.931 113.482 6.449 25509 2069 1 3 . 1 1 151 151 SER HA H 151 4.585 4.585 4.104 0.481 25509 2070 1 3 . 1 1 151 151 SER C C 151 176.209 176.209 173.549 2.660 25509 2071 1 3 . 1 1 151 151 SER CA C 151 57.497 57.497 59.678 -2.181 25509 2072 1 3 . 1 1 151 151 SER H H 151 7.787 7.787 8.025 -0.238 25509 2073 1 3 . 1 1 152 152 GLN N N 152 120.381 120.381 117.637 2.744 25509 2074 1 3 . 1 1 152 152 GLN HA H 152 3.715 3.715 3.992 -0.277 25509 2075 1 3 . 1 1 152 152 GLN C C 152 175.787 175.787 175.424 0.363 25509 2076 1 3 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.634 -0.158 25509 2077 1 3 . 1 1 152 152 GLN H H 152 8.386 8.386 7.491 0.895 25509 2078 1 3 . 1 1 153 153 GLY N N 153 106.086 106.086 106.966 -0.880 25509 2079 1 3 . 1 1 153 153 GLY C C 153 174.309 174.309 173.842 0.467 25509 2080 1 3 . 1 1 153 153 GLY CA C 153 44.902 44.902 44.621 0.281 25509 2081 1 3 . 1 1 153 153 GLY H H 153 8.047 8.047 8.408 -0.361 25509 2082 1 3 . 1 1 154 154 ALA N N 154 125.790 125.790 123.436 2.354 25509 2083 1 3 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.693 -0.111 25509 2084 1 3 . 1 1 154 154 ALA C C 154 176.022 176.022 176.065 -0.043 25509 2085 1 3 . 1 1 154 154 ALA CA C 154 49.894 49.894 50.359 -0.465 25509 2086 1 3 . 1 1 154 154 ALA H H 154 7.562 7.562 7.921 -0.359 25509 2087 1 3 . 1 1 155 155 PRO C C 155 175.578 175.578 175.200 0.378 25509 2088 1 3 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.473 -0.812 25509 2089 1 3 . 1 1 156 156 PHE N N 156 121.116 121.116 124.166 -3.050 25509 2090 1 3 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.117 -1.771 25509 2091 1 3 . 1 1 156 156 PHE C C 156 174.254 174.254 173.702 0.552 25509 2092 1 3 . 1 1 156 156 PHE CA C 156 56.414 56.414 56.977 -0.563 25509 2093 1 3 . 1 1 156 156 PHE H H 156 8.288 8.288 8.132 0.156 25509 2094 1 3 . 1 1 157 157 GLN N N 157 129.600 129.600 126.405 3.195 25509 2095 1 3 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.734 -0.428 25509 2096 1 3 . 1 1 157 157 GLN C C 157 171.628 171.628 174.076 -2.448 25509 2097 1 3 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.346 -1.831 25509 2098 1 3 . 1 1 157 157 GLN H H 157 7.205 7.205 7.962 -0.757 25509 2099 1 3 . 1 1 158 158 PRO C C 158 175.224 175.224 175.203 0.021 25509 2100 1 3 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.392 -0.669 25509 2101 1 3 . 1 1 159 159 TRP N N 159 117.795 117.795 122.476 -4.681 25509 2102 1 3 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.800 -0.102 25509 2103 1 3 . 1 1 159 159 TRP C C 159 175.906 175.906 176.510 -0.604 25509 2104 1 3 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.986 -2.458 25509 2105 1 3 . 1 1 159 159 TRP H H 159 5.628 5.628 7.436 -1.808 25509 2106 1 3 . 1 1 160 160 ASP N N 160 122.363 122.363 122.728 -0.365 25509 2107 1 3 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.595 -0.272 25509 2108 1 3 . 1 1 160 160 ASP C C 160 177.598 177.598 176.555 1.043 25509 2109 1 3 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.617 0.778 25509 2110 1 3 . 1 1 160 160 ASP H H 160 8.766 8.766 8.470 0.296 25509 2111 1 3 . 1 1 161 161 GLY N N 161 111.982 111.982 108.164 3.818 25509 2112 1 3 . 1 1 161 161 GLY C C 161 173.833 173.833 175.106 -1.273 25509 2113 1 3 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.385 -0.003 25509 2114 1 3 . 1 1 161 161 GLY H H 161 8.887 8.887 8.302 0.585 25509 2115 1 3 . 1 1 162 162 LEU N N 162 121.971 121.971 121.916 0.055 25509 2116 1 3 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.261 0.011 25509 2117 1 3 . 1 1 162 162 LEU C C 162 179.345 179.345 177.403 1.942 25509 2118 1 3 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.902 2.652 25509 2119 1 3 . 1 1 162 162 LEU H H 162 7.078 7.078 8.331 -1.253 25509 2120 1 3 . 1 1 163 163 ASP N N 163 118.366 118.366 116.239 2.127 25509 2121 1 3 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.455 0.004 25509 2122 1 3 . 1 1 163 163 ASP C C 163 178.182 178.182 178.490 -0.308 25509 2123 1 3 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.332 -0.224 25509 2124 1 3 . 1 1 163 163 ASP H H 163 8.679 8.679 8.716 -0.037 25509 2125 1 3 . 1 1 164 164 GLU N N 164 121.998 121.998 119.883 2.115 25509 2126 1 3 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.109 -0.174 25509 2127 1 3 . 1 1 164 164 GLU C C 164 180.355 180.355 179.023 1.332 25509 2128 1 3 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.217 0.397 25509 2129 1 3 . 1 1 164 164 GLU H H 164 8.374 8.374 8.642 -0.268 25509 2130 1 3 . 1 1 165 165 HIS N N 165 120.268 120.268 118.983 1.285 25509 2131 1 3 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.538 0.064 25509 2132 1 3 . 1 1 165 165 HIS C C 165 178.924 178.924 177.794 1.130 25509 2133 1 3 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.335 0.058 25509 2134 1 3 . 1 1 165 165 HIS H H 165 8.707 8.707 8.531 0.176 25509 2135 1 3 . 1 1 166 166 SER N N 166 118.252 118.252 116.373 1.879 25509 2136 1 3 . 1 1 166 166 SER HA H 166 4.400 4.400 4.301 0.099 25509 2137 1 3 . 1 1 166 166 SER C C 166 177.421 177.421 176.532 0.889 25509 2138 1 3 . 1 1 166 166 SER CA C 166 63.202 63.202 62.633 0.569 25509 2139 1 3 . 1 1 166 166 SER H H 166 8.649 8.649 8.708 -0.059 25509 2140 1 3 . 1 1 167 167 GLN N N 167 121.647 121.647 119.643 2.004 25509 2141 1 3 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.266 -0.090 25509 2142 1 3 . 1 1 167 167 GLN C C 167 179.643 179.643 177.856 1.787 25509 2143 1 3 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.269 0.513 25509 2144 1 3 . 1 1 167 167 GLN H H 167 8.645 8.645 8.406 0.239 25509 2145 1 3 . 1 1 168 168 ALA N N 168 124.242 124.242 123.031 1.211 25509 2146 1 3 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.138 0.111 25509 2147 1 3 . 1 1 168 168 ALA C C 168 181.949 181.949 179.404 2.545 25509 2148 1 3 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.672 0.208 25509 2149 1 3 . 1 1 168 168 ALA H H 168 8.092 8.092 7.721 0.371 25509 2150 1 3 . 1 1 169 169 LEU N N 169 120.509 120.509 118.313 2.196 25509 2151 1 3 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.180 -0.093 25509 2152 1 3 . 1 1 169 169 LEU C C 169 179.159 179.159 178.334 0.825 25509 2153 1 3 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.321 0.282 25509 2154 1 3 . 1 1 169 169 LEU H H 169 8.526 8.526 7.986 0.540 25509 2155 1 3 . 1 1 170 170 SER N N 170 117.410 117.410 115.792 1.618 25509 2156 1 3 . 1 1 170 170 SER HA H 170 4.128 4.128 4.069 0.059 25509 2157 1 3 . 1 1 170 170 SER C C 170 178.370 178.370 176.486 1.884 25509 2158 1 3 . 1 1 170 170 SER CA C 170 62.240 62.240 62.533 -0.293 25509 2159 1 3 . 1 1 170 170 SER H H 170 8.853 8.853 8.309 0.544 25509 2160 1 3 . 1 1 171 171 GLY N N 171 111.058 111.058 108.114 2.944 25509 2161 1 3 . 1 1 171 171 GLY C C 171 176.376 176.376 175.937 0.439 25509 2162 1 3 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.610 0.063 25509 2163 1 3 . 1 1 171 171 GLY H H 171 8.175 8.175 7.936 0.239 25509 2164 1 3 . 1 1 172 172 ARG N N 172 123.131 123.131 121.388 1.743 25509 2165 1 3 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.147 0.044 25509 2166 1 3 . 1 1 172 172 ARG C C 172 178.807 178.807 178.600 0.207 25509 2167 1 3 . 1 1 172 172 ARG CA C 172 58.189 58.189 58.557 -0.368 25509 2168 1 3 . 1 1 172 172 ARG H H 172 7.578 7.578 7.451 0.127 25509 2169 1 3 . 1 1 173 173 LEU N N 173 120.594 120.594 120.313 0.281 25509 2170 1 3 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.235 -0.243 25509 2171 1 3 . 1 1 173 173 LEU C C 173 178.396 178.396 178.323 0.073 25509 2172 1 3 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.242 -0.781 25509 2173 1 3 . 1 1 173 173 LEU H H 173 8.813 8.813 8.040 0.773 25509 2174 1 3 . 1 1 174 174 GLY N N 174 105.456 105.456 106.208 -0.752 25509 2175 1 3 . 1 1 174 174 GLY C C 174 176.170 176.170 176.031 0.139 25509 2176 1 3 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.628 0.013 25509 2177 1 3 . 1 1 174 174 GLY H H 174 8.221 8.221 7.886 0.335 25509 2178 1 3 . 1 1 175 175 GLU N N 175 120.171 120.171 122.068 -1.897 25509 2179 1 3 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.133 -0.053 25509 2180 1 3 . 1 1 175 175 GLU C C 175 179.100 179.100 179.346 -0.246 25509 2181 1 3 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.303 0.146 25509 2182 1 3 . 1 1 175 175 GLU H H 175 7.478 7.478 7.780 -0.302 25509 2183 1 3 . 1 1 176 176 ILE N N 176 119.642 119.642 120.007 -0.365 25509 2184 1 3 . 1 1 176 176 ILE HA H 176 3.680 3.680 4.176 -0.496 25509 2185 1 3 . 1 1 176 176 ILE C C 176 177.560 177.560 178.623 -1.063 25509 2186 1 3 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.541 -1.065 25509 2187 1 3 . 1 1 176 176 ILE H H 176 7.755 7.755 7.802 -0.047 25509 2188 1 3 . 1 1 177 177 LEU N N 177 116.019 116.019 116.682 -0.663 25509 2189 1 3 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.389 -0.298 25509 2190 1 3 . 1 1 177 177 LEU C C 177 177.520 177.520 177.210 0.310 25509 2191 1 3 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.802 -1.550 25509 2192 1 3 . 1 1 177 177 LEU H H 177 8.067 8.067 7.541 0.526 25509 2193 1 3 . 1 1 178 178 ARG N N 178 118.755 118.755 117.586 1.169 25509 2194 1 3 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.517 -0.378 25509 2195 1 3 . 1 1 178 178 ARG C C 178 175.953 175.953 176.217 -0.264 25509 2196 1 3 . 1 1 178 178 ARG CA C 178 56.683 56.683 54.972 1.711 25509 2197 1 3 . 1 1 178 178 ARG H H 178 7.566 7.566 7.810 -0.244 25509 2198 1 3 . 1 1 179 179 HIS N N 179 120.648 120.648 118.294 2.354 25509 2199 1 3 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.380 0.232 25509 2200 1 3 . 1 1 179 179 HIS C C 179 174.365 174.365 175.717 -1.352 25509 2201 1 3 . 1 1 179 179 HIS CA C 179 55.781 55.781 58.341 -2.560 25509 2202 1 3 . 1 1 179 179 HIS H H 179 8.140 8.140 8.230 -0.090 25509 2203 1 4 . 1 1 2 2 ASP N N 2 123.241 123.241 120.629 2.612 25509 2204 1 4 . 1 1 2 2 ASP C C 2 174.657 174.657 173.881 0.776 25509 2205 1 4 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.738 -0.638 25509 2206 1 4 . 1 1 2 2 ASP H H 2 8.114 8.114 8.817 -0.703 25509 2207 1 4 . 1 1 3 3 PRO C C 3 178.464 178.464 176.059 2.405 25509 2208 1 4 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.454 3.045 25509 2209 1 4 . 1 1 4 4 ASP N N 4 118.258 118.258 123.731 -5.473 25509 2210 1 4 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.737 -0.289 25509 2211 1 4 . 1 1 4 4 ASP C C 4 178.808 178.808 177.361 1.447 25509 2212 1 4 . 1 1 4 4 ASP CA C 4 57.247 57.247 55.343 1.904 25509 2213 1 4 . 1 1 4 4 ASP H H 4 8.509 8.509 8.614 -0.105 25509 2214 1 4 . 1 1 5 5 THR N N 5 119.780 119.780 115.499 4.281 25509 2215 1 4 . 1 1 5 5 THR HA H 5 3.859 3.859 4.417 -0.558 25509 2216 1 4 . 1 1 5 5 THR C C 5 177.699 177.699 175.658 2.041 25509 2217 1 4 . 1 1 5 5 THR CA C 5 66.182 66.182 65.455 0.727 25509 2218 1 4 . 1 1 5 5 THR H H 5 8.150 8.150 8.680 -0.530 25509 2219 1 4 . 1 1 6 6 PHE N N 6 124.329 124.329 122.230 2.099 25509 2220 1 4 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.806 -0.602 25509 2221 1 4 . 1 1 6 6 PHE C C 6 176.665 176.665 176.391 0.274 25509 2222 1 4 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.182 0.618 25509 2223 1 4 . 1 1 6 6 PHE H H 6 8.297 8.297 8.764 -0.467 25509 2224 1 4 . 1 1 7 7 SER N N 7 116.185 116.185 113.328 2.857 25509 2225 1 4 . 1 1 7 7 SER C C 7 176.138 176.138 175.739 0.399 25509 2226 1 4 . 1 1 7 7 SER CA C 7 61.480 61.480 61.139 0.341 25509 2227 1 4 . 1 1 7 7 SER H H 7 8.752 8.752 8.731 0.021 25509 2228 1 4 . 1 1 8 8 TYR N N 8 118.689 118.689 120.211 -1.522 25509 2229 1 4 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.342 -0.295 25509 2230 1 4 . 1 1 8 8 TYR C C 8 177.077 177.077 176.459 0.618 25509 2231 1 4 . 1 1 8 8 TYR CA C 8 60.282 60.282 61.314 -1.032 25509 2232 1 4 . 1 1 8 8 TYR H H 8 7.967 7.967 7.713 0.254 25509 2233 1 4 . 1 1 9 9 ASN N N 9 113.034 113.034 113.873 -0.839 25509 2234 1 4 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.825 -0.595 25509 2235 1 4 . 1 1 9 9 ASN C C 9 175.101 175.101 175.756 -0.655 25509 2236 1 4 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.818 2.269 25509 2237 1 4 . 1 1 9 9 ASN H H 9 7.577 7.577 7.731 -0.154 25509 2238 1 4 . 1 1 10 10 PHE N N 10 117.719 117.719 117.731 -0.012 25509 2239 1 4 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.410 -0.534 25509 2240 1 4 . 1 1 10 10 PHE C C 10 171.880 171.880 175.494 -3.614 25509 2241 1 4 . 1 1 10 10 PHE CA C 10 58.762 58.762 59.126 -0.364 25509 2242 1 4 . 1 1 10 10 PHE H H 10 8.655 8.655 7.559 1.096 25509 2243 1 4 . 1 1 11 11 ASN N N 11 114.885 114.885 118.143 -3.258 25509 2244 1 4 . 1 1 11 11 ASN C C 11 174.730 174.730 174.046 0.684 25509 2245 1 4 . 1 1 11 11 ASN CA C 11 53.439 53.439 54.174 -0.735 25509 2246 1 4 . 1 1 11 11 ASN H H 11 6.097 6.097 7.553 -1.456 25509 2247 1 4 . 1 1 12 12 ASN N N 12 121.039 121.039 118.988 2.051 25509 2248 1 4 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.814 -0.449 25509 2249 1 4 . 1 1 12 12 ASN C C 12 174.578 174.578 174.475 0.103 25509 2250 1 4 . 1 1 12 12 ASN CA C 12 51.417 51.417 54.135 -2.718 25509 2251 1 4 . 1 1 12 12 ASN H H 12 6.688 6.688 8.625 -1.937 25509 2252 1 4 . 1 1 13 13 ARG N N 13 119.646 119.646 120.049 -0.403 25509 2253 1 4 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.616 -1.028 25509 2254 1 4 . 1 1 13 13 ARG C C 13 175.049 175.049 173.460 1.589 25509 2255 1 4 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.638 1.692 25509 2256 1 4 . 1 1 13 13 ARG H H 13 7.589 7.589 7.682 -0.093 25509 2257 1 4 . 1 1 14 14 PRO C C 14 176.477 176.477 176.906 -0.429 25509 2258 1 4 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.282 0.897 25509 2259 1 4 . 1 1 15 15 ILE N N 15 120.304 120.304 122.218 -1.914 25509 2260 1 4 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.748 0.535 25509 2261 1 4 . 1 1 15 15 ILE C C 15 175.956 175.956 176.672 -0.716 25509 2262 1 4 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.810 -2.784 25509 2263 1 4 . 1 1 15 15 ILE H H 15 7.827 7.827 8.186 -0.359 25509 2264 1 4 . 1 1 16 16 LEU N N 16 124.585 124.585 120.632 3.953 25509 2265 1 4 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.450 -0.149 25509 2266 1 4 . 1 1 16 16 LEU C C 16 177.213 177.213 175.691 1.522 25509 2267 1 4 . 1 1 16 16 LEU CA C 16 55.089 55.089 53.862 1.227 25509 2268 1 4 . 1 1 16 16 LEU H H 16 8.283 8.283 7.582 0.701 25509 2269 1 4 . 1 1 17 17 SER N N 17 115.176 115.176 119.116 -3.940 25509 2270 1 4 . 1 1 17 17 SER C C 17 173.733 173.733 174.629 -0.896 25509 2271 1 4 . 1 1 17 17 SER CA C 17 57.371 57.371 58.850 -1.479 25509 2272 1 4 . 1 1 17 17 SER H H 17 7.782 7.782 8.508 -0.726 25509 2273 1 4 . 1 1 18 18 ARG N N 18 122.072 122.072 126.892 -4.820 25509 2274 1 4 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.473 -0.269 25509 2275 1 4 . 1 1 18 18 ARG C C 18 176.524 176.524 175.220 1.304 25509 2276 1 4 . 1 1 18 18 ARG CA C 18 55.944 55.944 55.416 0.528 25509 2277 1 4 . 1 1 18 18 ARG H H 18 8.318 8.318 8.538 -0.220 25509 2278 1 4 . 1 1 21 21 THR HA H 21 4.574 4.574 5.039 -0.465 25509 2279 1 4 . 1 1 22 22 VAL HA H 22 4.030 4.030 3.561 0.469 25509 2280 1 4 . 1 1 22 22 VAL CA C 22 61.772 61.772 61.419 0.353 25509 2281 1 4 . 1 1 24 24 LEU HA H 24 5.079 5.079 4.962 0.117 25509 2282 1 4 . 1 1 24 24 LEU C C 24 174.326 174.326 175.521 -1.195 25509 2283 1 4 . 1 1 24 24 LEU CA C 24 54.203 54.203 53.234 0.969 25509 2284 1 4 . 1 1 25 25 CYS N N 25 126.908 126.908 117.463 9.445 25509 2285 1 4 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.546 -0.847 25509 2286 1 4 . 1 1 25 25 CYS C C 25 173.285 173.285 174.186 -0.901 25509 2287 1 4 . 1 1 25 25 CYS CA C 25 57.086 57.086 57.034 0.052 25509 2288 1 4 . 1 1 25 25 CYS H H 25 9.325 9.325 8.452 0.873 25509 2289 1 4 . 1 1 26 26 TYR N N 26 120.745 120.745 120.306 0.439 25509 2290 1 4 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.941 0.359 25509 2291 1 4 . 1 1 26 26 TYR C C 26 173.449 173.449 174.560 -1.111 25509 2292 1 4 . 1 1 26 26 TYR CA C 26 54.582 54.582 55.046 -0.464 25509 2293 1 4 . 1 1 26 26 TYR H H 26 9.039 9.039 8.849 0.190 25509 2294 1 4 . 1 1 27 27 GLU N N 27 118.222 118.222 121.061 -2.839 25509 2295 1 4 . 1 1 27 27 GLU C C 27 175.348 175.348 176.405 -1.057 25509 2296 1 4 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.102 -0.554 25509 2297 1 4 . 1 1 27 27 GLU H H 27 9.358 9.358 8.821 0.537 25509 2298 1 4 . 1 1 28 28 VAL N N 28 124.182 124.182 126.497 -2.315 25509 2299 1 4 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.379 0.535 25509 2300 1 4 . 1 1 28 28 VAL C C 28 174.085 174.085 174.889 -0.804 25509 2301 1 4 . 1 1 28 28 VAL CA C 28 61.231 61.231 62.951 -1.720 25509 2302 1 4 . 1 1 28 28 VAL H H 28 9.479 9.479 9.471 0.008 25509 2303 1 4 . 1 1 29 29 LYS N N 29 127.566 127.566 128.690 -1.124 25509 2304 1 4 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.799 0.592 25509 2305 1 4 . 1 1 29 29 LYS C C 29 175.631 175.631 174.970 0.661 25509 2306 1 4 . 1 1 29 29 LYS CA C 29 54.136 54.136 53.579 0.557 25509 2307 1 4 . 1 1 29 29 LYS H H 29 9.151 9.151 9.030 0.121 25509 2308 1 4 . 1 1 30 30 THR N N 30 118.721 118.721 115.485 3.236 25509 2309 1 4 . 1 1 30 30 THR HA H 30 4.617 4.617 4.434 0.183 25509 2310 1 4 . 1 1 30 30 THR C C 30 173.948 173.948 174.272 -0.324 25509 2311 1 4 . 1 1 30 30 THR CA C 30 61.228 61.228 61.572 -0.344 25509 2312 1 4 . 1 1 30 30 THR H H 30 8.615 8.615 8.428 0.187 25509 2313 1 4 . 1 1 31 31 LYS N N 31 125.634 125.634 124.966 0.668 25509 2314 1 4 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.070 -0.202 25509 2315 1 4 . 1 1 31 31 LYS C C 31 176.799 176.799 177.554 -0.755 25509 2316 1 4 . 1 1 31 31 LYS CA C 31 56.250 56.250 57.922 -1.672 25509 2317 1 4 . 1 1 31 31 LYS H H 31 8.400 8.400 8.324 0.076 25509 2318 1 4 . 1 1 32 32 GLY N N 32 111.069 111.069 105.944 5.125 25509 2319 1 4 . 1 1 32 32 GLY C C 32 171.007 171.007 173.136 -2.129 25509 2320 1 4 . 1 1 32 32 GLY CA C 32 44.006 44.006 44.242 -0.236 25509 2321 1 4 . 1 1 32 32 GLY H H 32 8.170 8.170 8.231 -0.061 25509 2322 1 4 . 1 1 33 33 PRO C C 33 176.964 176.964 176.983 -0.019 25509 2323 1 4 . 1 1 33 33 PRO CA C 33 62.675 62.675 63.770 -1.095 25509 2324 1 4 . 1 1 34 34 SER N N 34 117.301 117.301 115.866 1.435 25509 2325 1 4 . 1 1 34 34 SER HA H 34 4.372 4.372 4.468 -0.096 25509 2326 1 4 . 1 1 34 34 SER C C 34 173.728 173.728 174.731 -1.003 25509 2327 1 4 . 1 1 34 34 SER CA C 34 57.933 57.933 57.716 0.217 25509 2328 1 4 . 1 1 34 34 SER H H 34 8.383 8.383 7.729 0.654 25509 2329 1 4 . 1 1 35 35 ARG N N 35 123.829 123.829 122.424 1.405 25509 2330 1 4 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.448 0.124 25509 2331 1 4 . 1 1 35 35 ARG C C 35 173.256 173.256 174.831 -1.575 25509 2332 1 4 . 1 1 35 35 ARG CA C 35 53.217 53.217 55.138 -1.921 25509 2333 1 4 . 1 1 35 35 ARG H H 35 8.153 8.153 8.491 -0.338 25509 2334 1 4 . 1 1 37 37 PRO C C 37 176.060 176.060 176.604 -0.544 25509 2335 1 4 . 1 1 37 37 PRO CA C 37 63.234 63.234 62.252 0.982 25509 2336 1 4 . 1 1 38 38 LEU N N 38 126.508 126.508 119.751 6.757 25509 2337 1 4 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.252 -0.113 25509 2338 1 4 . 1 1 38 38 LEU C C 38 176.490 176.490 178.243 -1.753 25509 2339 1 4 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.980 0.222 25509 2340 1 4 . 1 1 38 38 LEU H H 38 8.347 8.347 8.090 0.257 25509 2341 1 4 . 1 1 39 39 ASP N N 39 120.060 120.060 119.917 0.143 25509 2342 1 4 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.406 -0.035 25509 2343 1 4 . 1 1 39 39 ASP C C 39 175.525 175.525 176.177 -0.652 25509 2344 1 4 . 1 1 39 39 ASP CA C 39 53.948 53.948 56.282 -2.334 25509 2345 1 4 . 1 1 39 39 ASP H H 39 8.299 8.299 8.422 -0.123 25509 2346 1 4 . 1 1 40 40 ALA N N 40 123.020 123.020 119.275 3.745 25509 2347 1 4 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.445 -0.079 25509 2348 1 4 . 1 1 40 40 ALA C C 40 177.243 177.243 176.202 1.041 25509 2349 1 4 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.390 -0.807 25509 2350 1 4 . 1 1 40 40 ALA H H 40 7.972 7.972 7.649 0.323 25509 2351 1 4 . 1 1 41 41 LYS N N 41 120.582 120.582 121.967 -1.385 25509 2352 1 4 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.525 -0.175 25509 2353 1 4 . 1 1 41 41 LYS C C 41 175.874 175.874 174.872 1.002 25509 2354 1 4 . 1 1 41 41 LYS CA C 41 56.520 56.520 56.353 0.167 25509 2355 1 4 . 1 1 41 41 LYS H H 41 8.286 8.286 8.523 -0.237 25509 2356 1 4 . 1 1 42 42 ILE N N 42 119.815 119.815 119.728 0.087 25509 2357 1 4 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.558 0.320 25509 2358 1 4 . 1 1 42 42 ILE C C 42 174.828 174.828 174.752 0.076 25509 2359 1 4 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.503 -0.625 25509 2360 1 4 . 1 1 42 42 ILE H H 42 7.830 7.830 7.735 0.095 25509 2361 1 4 . 1 1 43 43 PHE N N 43 126.131 126.131 127.846 -1.715 25509 2362 1 4 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.911 -0.026 25509 2363 1 4 . 1 1 43 43 PHE C C 43 173.801 173.801 173.585 0.216 25509 2364 1 4 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.525 -0.252 25509 2365 1 4 . 1 1 43 43 PHE H H 43 8.780 8.780 8.846 -0.066 25509 2366 1 4 . 1 1 44 44 ARG N N 44 122.879 122.879 126.148 -3.269 25509 2367 1 4 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.073 0.433 25509 2368 1 4 . 1 1 44 44 ARG C C 44 175.196 175.196 175.565 -0.369 25509 2369 1 4 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.686 -0.419 25509 2370 1 4 . 1 1 44 44 ARG H H 44 8.368 8.368 8.096 0.272 25509 2371 1 4 . 1 1 45 45 GLY N N 45 108.917 108.917 110.677 -1.760 25509 2372 1 4 . 1 1 45 45 GLY C C 45 169.838 169.838 172.128 -2.290 25509 2373 1 4 . 1 1 45 45 GLY CA C 45 44.841 44.841 43.875 0.966 25509 2374 1 4 . 1 1 45 45 GLY H H 45 7.714 7.714 8.543 -0.829 25509 2375 1 4 . 1 1 46 46 GLN N N 46 113.774 113.774 117.404 -3.630 25509 2376 1 4 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.489 0.118 25509 2377 1 4 . 1 1 46 46 GLN C C 46 174.884 174.884 175.182 -0.298 25509 2378 1 4 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.983 -1.077 25509 2379 1 4 . 1 1 46 46 GLN H H 46 8.411 8.411 8.705 -0.294 25509 2380 1 4 . 1 1 47 47 VAL N N 47 120.282 120.282 122.495 -2.213 25509 2381 1 4 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.822 -0.447 25509 2382 1 4 . 1 1 47 47 VAL C C 47 172.005 172.005 174.213 -2.208 25509 2383 1 4 . 1 1 47 47 VAL CA C 47 59.977 59.977 61.425 -1.448 25509 2384 1 4 . 1 1 47 47 VAL H H 47 9.499 9.499 8.710 0.789 25509 2385 1 4 . 1 1 49 49 SER C C 49 173.486 173.486 175.192 -1.706 25509 2386 1 4 . 1 1 49 49 SER CA C 49 57.077 57.077 60.960 -3.883 25509 2387 1 4 . 1 1 50 50 GLU N N 50 123.998 123.998 117.732 6.266 25509 2388 1 4 . 1 1 50 50 GLU C C 50 175.276 175.276 175.422 -0.146 25509 2389 1 4 . 1 1 50 50 GLU CA C 50 54.505 54.505 56.687 -2.182 25509 2390 1 4 . 1 1 50 50 GLU H H 50 8.748 8.748 8.610 0.138 25509 2391 1 4 . 1 1 51 51 ASP N N 51 123.737 123.737 120.403 3.334 25509 2392 1 4 . 1 1 51 51 ASP C C 51 176.320 176.320 175.395 0.925 25509 2393 1 4 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.133 -0.223 25509 2394 1 4 . 1 1 51 51 ASP H H 51 8.479 8.479 8.344 0.135 25509 2395 1 4 . 1 1 52 52 LYS N N 52 114.578 114.578 121.827 -7.249 25509 2396 1 4 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.490 -0.358 25509 2397 1 4 . 1 1 52 52 LYS C C 52 175.538 175.538 174.866 0.672 25509 2398 1 4 . 1 1 52 52 LYS CA C 52 57.089 57.089 56.112 0.977 25509 2399 1 4 . 1 1 52 52 LYS H H 52 7.677 7.677 8.499 -0.822 25509 2400 1 4 . 1 1 53 53 TYR N N 53 124.836 124.836 119.528 5.308 25509 2401 1 4 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.593 0.177 25509 2402 1 4 . 1 1 53 53 TYR C C 53 175.498 175.498 175.508 -0.010 25509 2403 1 4 . 1 1 53 53 TYR CA C 53 53.507 53.507 56.979 -3.472 25509 2404 1 4 . 1 1 53 53 TYR H H 53 8.490 8.490 7.777 0.713 25509 2405 1 4 . 1 1 54 54 HIS N N 54 128.974 128.974 125.522 3.452 25509 2406 1 4 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.363 0.393 25509 2407 1 4 . 1 1 54 54 HIS C C 54 174.123 174.123 173.648 0.475 25509 2408 1 4 . 1 1 54 54 HIS CA C 54 53.734 53.734 58.017 -4.283 25509 2409 1 4 . 1 1 54 54 HIS H H 54 8.622 8.622 8.588 0.034 25509 2410 1 4 . 1 1 56 56 GLU C C 56 178.356 178.356 175.583 2.773 25509 2411 1 4 . 1 1 56 56 GLU CA C 56 60.597 60.597 56.355 4.242 25509 2412 1 4 . 1 1 57 57 MET N N 57 113.971 113.971 120.223 -6.252 25509 2413 1 4 . 1 1 57 57 MET HA H 57 4.433 4.433 4.641 -0.208 25509 2414 1 4 . 1 1 57 57 MET C C 57 180.454 180.454 177.906 2.548 25509 2415 1 4 . 1 1 57 57 MET CA C 57 55.453 55.453 57.383 -1.930 25509 2416 1 4 . 1 1 57 57 MET H H 57 6.807 6.807 8.241 -1.434 25509 2417 1 4 . 1 1 58 58 ARG N N 58 123.367 123.367 118.967 4.400 25509 2418 1 4 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.251 -0.487 25509 2419 1 4 . 1 1 58 58 ARG C C 58 179.588 179.588 178.437 1.151 25509 2420 1 4 . 1 1 58 58 ARG CA C 58 58.505 58.505 57.642 0.863 25509 2421 1 4 . 1 1 58 58 ARG H H 58 7.658 7.658 8.482 -0.824 25509 2422 1 4 . 1 1 59 59 PHE N N 59 121.256 121.256 120.511 0.745 25509 2423 1 4 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.149 -0.591 25509 2424 1 4 . 1 1 59 59 PHE C C 59 175.915 175.915 176.029 -0.114 25509 2425 1 4 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.952 1.403 25509 2426 1 4 . 1 1 59 59 PHE H H 59 8.925 8.925 8.501 0.424 25509 2427 1 4 . 1 1 60 60 LEU N N 60 118.280 118.280 118.633 -0.353 25509 2428 1 4 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.810 -0.338 25509 2429 1 4 . 1 1 60 60 LEU C C 60 179.572 179.572 178.479 1.093 25509 2430 1 4 . 1 1 60 60 LEU CA C 60 57.365 57.365 57.944 -0.579 25509 2431 1 4 . 1 1 60 60 LEU H H 60 7.587 7.587 7.720 -0.133 25509 2432 1 4 . 1 1 61 61 SER N N 61 115.099 115.099 115.267 -0.168 25509 2433 1 4 . 1 1 61 61 SER HA H 61 4.053 4.053 4.030 0.023 25509 2434 1 4 . 1 1 61 61 SER C C 61 176.822 176.822 176.149 0.673 25509 2435 1 4 . 1 1 61 61 SER CA C 61 60.923 60.923 62.354 -1.431 25509 2436 1 4 . 1 1 61 61 SER H H 61 7.479 7.479 7.725 -0.246 25509 2437 1 4 . 1 1 62 62 LEU N N 62 123.881 123.881 117.586 6.295 25509 2438 1 4 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.930 -0.536 25509 2439 1 4 . 1 1 62 62 LEU C C 62 177.319 177.319 177.357 -0.038 25509 2440 1 4 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.148 -0.271 25509 2441 1 4 . 1 1 62 62 LEU H H 62 7.302 7.302 7.274 0.028 25509 2442 1 4 . 1 1 63 63 VAL N N 63 115.745 115.745 119.316 -3.571 25509 2443 1 4 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.103 -0.424 25509 2444 1 4 . 1 1 63 63 VAL C C 63 178.913 178.913 178.179 0.734 25509 2445 1 4 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.987 -1.420 25509 2446 1 4 . 1 1 63 63 VAL H H 63 7.039 7.039 6.759 0.280 25509 2447 1 4 . 1 1 64 64 SER N N 64 114.324 114.324 113.963 0.361 25509 2448 1 4 . 1 1 64 64 SER C C 64 176.376 176.376 175.586 0.790 25509 2449 1 4 . 1 1 64 64 SER CA C 64 60.925 60.925 60.922 0.003 25509 2450 1 4 . 1 1 64 64 SER H H 64 7.205 7.205 7.920 -0.715 25509 2451 1 4 . 1 1 65 65 LYS N N 65 121.823 121.823 118.877 2.946 25509 2452 1 4 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.407 -0.332 25509 2453 1 4 . 1 1 65 65 LYS C C 65 178.346 178.346 177.185 1.161 25509 2454 1 4 . 1 1 65 65 LYS CA C 65 57.294 57.294 56.824 0.470 25509 2455 1 4 . 1 1 65 65 LYS H H 65 7.294 7.294 7.563 -0.269 25509 2456 1 4 . 1 1 66 66 TRP N N 66 120.291 120.291 121.377 -1.086 25509 2457 1 4 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.600 -0.126 25509 2458 1 4 . 1 1 66 66 TRP CA C 66 56.009 56.009 58.465 -2.456 25509 2459 1 4 . 1 1 66 66 TRP H H 66 7.834 7.834 7.952 -0.118 25509 2460 1 4 . 1 1 69 69 HIS C C 69 176.475 176.475 174.835 1.640 25509 2461 1 4 . 1 1 69 69 HIS CA C 69 56.029 56.029 54.722 1.307 25509 2462 1 4 . 1 1 70 70 ARG N N 70 121.733 121.733 125.438 -3.705 25509 2463 1 4 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.281 -0.784 25509 2464 1 4 . 1 1 70 70 ARG C C 70 175.806 175.806 175.171 0.635 25509 2465 1 4 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.501 0.841 25509 2466 1 4 . 1 1 70 70 ARG H H 70 8.527 8.527 8.348 0.179 25509 2467 1 4 . 1 1 71 71 ASP N N 71 116.800 116.800 121.908 -5.108 25509 2468 1 4 . 1 1 71 71 ASP C C 71 175.213 175.213 176.394 -1.181 25509 2469 1 4 . 1 1 71 71 ASP CA C 71 53.027 53.027 54.779 -1.752 25509 2470 1 4 . 1 1 71 71 ASP H H 71 8.599 8.599 8.514 0.085 25509 2471 1 4 . 1 1 72 72 GLN N N 72 119.761 119.761 119.400 0.361 25509 2472 1 4 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.510 0.012 25509 2473 1 4 . 1 1 72 72 GLN C C 72 172.972 172.972 175.465 -2.493 25509 2474 1 4 . 1 1 72 72 GLN CA C 72 53.807 53.807 55.377 -1.570 25509 2475 1 4 . 1 1 72 72 GLN H H 72 7.629 7.629 8.602 -0.973 25509 2476 1 4 . 1 1 73 73 GLU N N 73 117.994 117.994 117.274 0.720 25509 2477 1 4 . 1 1 73 73 GLU C C 73 176.011 176.011 176.021 -0.010 25509 2478 1 4 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.165 -0.269 25509 2479 1 4 . 1 1 73 73 GLU H H 73 7.984 7.984 8.362 -0.378 25509 2480 1 4 . 1 1 74 74 TYR N N 74 120.098 120.098 120.098 0.000 25509 2481 1 4 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.867 0.256 25509 2482 1 4 . 1 1 74 74 TYR C C 74 174.675 174.675 173.654 1.021 25509 2483 1 4 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.182 -0.440 25509 2484 1 4 . 1 1 74 74 TYR H H 74 8.860 8.860 8.507 0.353 25509 2485 1 4 . 1 1 75 75 GLU N N 75 123.539 123.539 123.545 -0.006 25509 2486 1 4 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.185 -0.292 25509 2487 1 4 . 1 1 75 75 GLU C C 75 175.614 175.614 174.209 1.405 25509 2488 1 4 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.386 0.185 25509 2489 1 4 . 1 1 75 75 GLU H H 75 9.321 9.321 9.009 0.312 25509 2490 1 4 . 1 1 76 76 VAL N N 76 128.647 128.647 127.391 1.256 25509 2491 1 4 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.204 -0.018 25509 2492 1 4 . 1 1 76 76 VAL C C 76 175.004 175.004 175.144 -0.140 25509 2493 1 4 . 1 1 76 76 VAL CA C 76 60.376 60.376 60.093 0.283 25509 2494 1 4 . 1 1 76 76 VAL H H 76 9.399 9.399 9.003 0.396 25509 2495 1 4 . 1 1 77 77 THR N N 77 126.297 126.297 122.159 4.138 25509 2496 1 4 . 1 1 77 77 THR HA H 77 5.223 5.223 4.591 0.632 25509 2497 1 4 . 1 1 77 77 THR C C 77 173.353 173.353 173.285 0.068 25509 2498 1 4 . 1 1 77 77 THR CA C 77 61.442 61.442 61.813 -0.371 25509 2499 1 4 . 1 1 77 77 THR H H 77 9.597 9.597 8.456 1.141 25509 2500 1 4 . 1 1 78 78 TRP N N 78 125.914 125.914 127.644 -1.730 25509 2501 1 4 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.893 0.777 25509 2502 1 4 . 1 1 78 78 TRP C C 78 174.723 174.723 174.220 0.503 25509 2503 1 4 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.312 -7.107 25509 2504 1 4 . 1 1 78 78 TRP H H 78 9.173 9.173 9.212 -0.039 25509 2505 1 4 . 1 1 79 79 TYR N N 79 120.962 120.962 124.847 -3.885 25509 2506 1 4 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.701 0.616 25509 2507 1 4 . 1 1 79 79 TYR CA C 79 56.699 56.699 57.944 -1.245 25509 2508 1 4 . 1 1 79 79 TYR H H 79 9.322 9.322 9.167 0.155 25509 2509 1 4 . 1 1 80 80 ILE N N 80 125.201 125.201 124.263 0.938 25509 2510 1 4 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.137 1.792 25509 2511 1 4 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.698 -16.862 25509 2512 1 4 . 1 1 80 80 ILE H H 80 9.634 9.634 8.067 1.567 25509 2513 1 4 . 1 1 86 86 THR HA H 86 3.629 3.629 3.819 -0.190 25509 2514 1 4 . 1 1 86 86 THR C C 86 175.273 175.273 176.382 -1.109 25509 2515 1 4 . 1 1 86 86 THR CA C 86 60.845 60.845 66.690 -5.845 25509 2516 1 4 . 1 1 87 87 LYS N N 87 121.904 121.904 121.497 0.407 25509 2517 1 4 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.227 -0.284 25509 2518 1 4 . 1 1 87 87 LYS C C 87 178.969 178.969 178.569 0.400 25509 2519 1 4 . 1 1 87 87 LYS CA C 87 59.326 59.326 58.911 0.415 25509 2520 1 4 . 1 1 87 87 LYS H H 87 7.728 7.728 8.148 -0.420 25509 2521 1 4 . 1 1 88 88 CYS N N 88 121.877 121.877 118.318 3.559 25509 2522 1 4 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.181 -0.247 25509 2523 1 4 . 1 1 88 88 CYS C C 88 178.168 178.168 176.805 1.363 25509 2524 1 4 . 1 1 88 88 CYS CA C 88 65.201 65.201 61.802 3.399 25509 2525 1 4 . 1 1 88 88 CYS H H 88 8.717 8.717 8.035 0.682 25509 2526 1 4 . 1 1 89 89 ALA N N 89 120.872 120.872 123.555 -2.683 25509 2527 1 4 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.084 -0.195 25509 2528 1 4 . 1 1 89 89 ALA C C 89 179.782 179.782 179.772 0.010 25509 2529 1 4 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.249 0.051 25509 2530 1 4 . 1 1 89 89 ALA H H 89 9.009 9.009 7.985 1.024 25509 2531 1 4 . 1 1 90 90 ARG N N 90 117.797 117.797 117.763 0.034 25509 2532 1 4 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.034 -0.049 25509 2533 1 4 . 1 1 90 90 ARG C C 90 179.333 179.333 178.669 0.664 25509 2534 1 4 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.489 -0.136 25509 2535 1 4 . 1 1 90 90 ARG H H 90 7.912 7.912 7.661 0.251 25509 2536 1 4 . 1 1 91 91 ASP N N 91 121.892 121.892 119.326 2.566 25509 2537 1 4 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.455 0.020 25509 2538 1 4 . 1 1 91 91 ASP C C 91 180.593 180.593 178.311 2.282 25509 2539 1 4 . 1 1 91 91 ASP CA C 91 57.329 57.329 57.628 -0.299 25509 2540 1 4 . 1 1 91 91 ASP H H 91 8.413 8.413 8.505 -0.092 25509 2541 1 4 . 1 1 92 92 MET N N 92 121.165 121.165 119.372 1.793 25509 2542 1 4 . 1 1 92 92 MET HA H 92 4.453 4.453 4.382 0.071 25509 2543 1 4 . 1 1 92 92 MET C C 92 177.594 177.594 177.600 -0.006 25509 2544 1 4 . 1 1 92 92 MET CA C 92 56.255 56.255 57.268 -1.013 25509 2545 1 4 . 1 1 92 92 MET H H 92 8.986 8.986 8.456 0.530 25509 2546 1 4 . 1 1 93 93 ALA N N 93 124.315 124.315 121.739 2.576 25509 2547 1 4 . 1 1 93 93 ALA HA H 93 3.818 3.818 3.974 -0.156 25509 2548 1 4 . 1 1 93 93 ALA C C 93 179.351 179.351 179.605 -0.254 25509 2549 1 4 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.392 0.067 25509 2550 1 4 . 1 1 93 93 ALA H H 93 8.090 8.090 8.522 -0.432 25509 2551 1 4 . 1 1 94 94 THR N N 94 115.375 115.375 115.564 -0.189 25509 2552 1 4 . 1 1 94 94 THR HA H 94 3.854 3.854 4.324 -0.470 25509 2553 1 4 . 1 1 94 94 THR C C 94 175.971 175.971 176.240 -0.269 25509 2554 1 4 . 1 1 94 94 THR CA C 94 66.140 66.140 66.724 -0.584 25509 2555 1 4 . 1 1 94 94 THR H H 94 7.908 7.908 7.827 0.081 25509 2556 1 4 . 1 1 95 95 PHE N N 95 121.559 121.559 123.043 -1.484 25509 2557 1 4 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.196 -0.007 25509 2558 1 4 . 1 1 95 95 PHE C C 95 178.456 178.456 176.593 1.863 25509 2559 1 4 . 1 1 95 95 PHE CA C 95 61.307 61.307 61.221 0.086 25509 2560 1 4 . 1 1 95 95 PHE H H 95 7.845 7.845 7.491 0.354 25509 2561 1 4 . 1 1 96 96 LEU N N 96 120.614 120.614 120.423 0.191 25509 2562 1 4 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.502 0.249 25509 2563 1 4 . 1 1 96 96 LEU C C 96 179.846 179.846 178.580 1.266 25509 2564 1 4 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.999 -0.879 25509 2565 1 4 . 1 1 96 96 LEU H H 96 8.493 8.493 8.068 0.425 25509 2566 1 4 . 1 1 97 97 GLN N N 97 118.135 118.135 117.705 0.430 25509 2567 1 4 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.023 0.049 25509 2568 1 4 . 1 1 97 97 GLN C C 97 177.940 177.940 177.527 0.413 25509 2569 1 4 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.350 -0.361 25509 2570 1 4 . 1 1 97 97 GLN H H 97 7.971 7.971 8.328 -0.357 25509 2571 1 4 . 1 1 98 98 GLU N N 98 115.676 115.676 118.930 -3.254 25509 2572 1 4 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.138 0.084 25509 2573 1 4 . 1 1 98 98 GLU C C 98 176.364 176.364 177.938 -1.574 25509 2574 1 4 . 1 1 98 98 GLU CA C 98 56.465 56.465 56.771 -0.306 25509 2575 1 4 . 1 1 98 98 GLU H H 98 7.473 7.473 7.970 -0.497 25509 2576 1 4 . 1 1 99 99 ASN N N 99 121.312 121.312 117.353 3.959 25509 2577 1 4 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.486 0.500 25509 2578 1 4 . 1 1 99 99 ASN C C 99 174.155 174.155 174.873 -0.718 25509 2579 1 4 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.659 -2.701 25509 2580 1 4 . 1 1 99 99 ASN H H 99 7.520 7.520 7.829 -0.309 25509 2581 1 4 . 1 1 100 100 THR N N 100 111.032 111.032 112.325 -1.293 25509 2582 1 4 . 1 1 100 100 THR HA H 100 4.438 4.438 3.814 0.624 25509 2583 1 4 . 1 1 100 100 THR C C 100 174.600 174.600 173.908 0.692 25509 2584 1 4 . 1 1 100 100 THR CA C 100 63.613 63.613 62.845 0.768 25509 2585 1 4 . 1 1 100 100 THR H H 100 7.985 7.985 7.448 0.537 25509 2586 1 4 . 1 1 101 101 HIS C C 101 173.419 173.419 173.644 -0.225 25509 2587 1 4 . 1 1 101 101 HIS CA C 101 56.546 56.546 57.928 -1.383 25509 2588 1 4 . 1 1 102 102 VAL N N 102 123.373 123.373 117.628 5.745 25509 2589 1 4 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.166 -0.523 25509 2590 1 4 . 1 1 102 102 VAL C C 102 174.248 174.248 174.708 -0.460 25509 2591 1 4 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.952 1.063 25509 2592 1 4 . 1 1 102 102 VAL H H 102 7.561 7.561 7.473 0.088 25509 2593 1 4 . 1 1 103 103 THR N N 103 119.261 119.261 119.395 -0.134 25509 2594 1 4 . 1 1 103 103 THR HA H 103 4.702 4.702 5.145 -0.443 25509 2595 1 4 . 1 1 103 103 THR C C 103 173.198 173.198 173.601 -0.403 25509 2596 1 4 . 1 1 103 103 THR CA C 103 59.956 59.956 59.766 0.190 25509 2597 1 4 . 1 1 103 103 THR H H 103 8.370 8.370 8.743 -0.373 25509 2598 1 4 . 1 1 104 104 LEU N N 104 128.085 128.085 124.902 3.183 25509 2599 1 4 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.938 0.185 25509 2600 1 4 . 1 1 104 104 LEU C C 104 175.009 175.009 175.226 -0.217 25509 2601 1 4 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.526 -0.295 25509 2602 1 4 . 1 1 104 104 LEU H H 104 9.373 9.373 8.537 0.836 25509 2603 1 4 . 1 1 105 105 THR N N 105 126.064 126.064 120.272 5.792 25509 2604 1 4 . 1 1 105 105 THR HA H 105 4.560 4.560 4.882 -0.322 25509 2605 1 4 . 1 1 105 105 THR C C 105 171.873 171.873 174.366 -2.493 25509 2606 1 4 . 1 1 105 105 THR CA C 105 61.546 61.546 61.264 0.282 25509 2607 1 4 . 1 1 105 105 THR H H 105 8.561 8.561 9.024 -0.463 25509 2608 1 4 . 1 1 106 106 ILE N N 106 125.679 125.679 125.477 0.202 25509 2609 1 4 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.455 -0.248 25509 2610 1 4 . 1 1 106 106 ILE C C 106 172.536 172.536 174.746 -2.210 25509 2611 1 4 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.596 -2.709 25509 2612 1 4 . 1 1 106 106 ILE H H 106 9.190 9.190 8.411 0.779 25509 2613 1 4 . 1 1 107 107 PHE N N 107 126.337 126.337 126.075 0.262 25509 2614 1 4 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.635 -0.379 25509 2615 1 4 . 1 1 107 107 PHE C C 107 175.694 175.694 175.370 0.324 25509 2616 1 4 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.642 0.700 25509 2617 1 4 . 1 1 107 107 PHE H H 107 9.135 9.135 9.319 -0.184 25509 2618 1 4 . 1 1 108 108 VAL N N 108 118.789 118.789 122.854 -4.065 25509 2619 1 4 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.441 0.579 25509 2620 1 4 . 1 1 108 108 VAL C C 108 176.539 176.539 174.745 1.794 25509 2621 1 4 . 1 1 108 108 VAL CA C 108 58.498 58.498 61.281 -2.783 25509 2622 1 4 . 1 1 108 108 VAL H H 108 8.936 8.936 8.249 0.687 25509 2623 1 4 . 1 1 109 109 ALA N N 109 129.108 129.108 129.968 -0.860 25509 2624 1 4 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.789 -0.265 25509 2625 1 4 . 1 1 109 109 ALA C C 109 175.933 175.933 177.559 -1.626 25509 2626 1 4 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.361 2.677 25509 2627 1 4 . 1 1 109 109 ALA H H 109 8.509 8.509 8.656 -0.147 25509 2628 1 4 . 1 1 110 110 ARG N N 110 110.165 110.165 120.956 -10.791 25509 2629 1 4 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.414 0.091 25509 2630 1 4 . 1 1 110 110 ARG C C 110 175.120 175.120 175.673 -0.553 25509 2631 1 4 . 1 1 110 110 ARG CA C 110 54.555 54.555 56.469 -1.914 25509 2632 1 4 . 1 1 110 110 ARG H H 110 6.677 6.677 8.035 -1.358 25509 2633 1 4 . 1 1 111 111 LEU N N 111 119.767 119.767 126.492 -6.725 25509 2634 1 4 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.713 -0.198 25509 2635 1 4 . 1 1 111 111 LEU CA C 111 53.198 53.198 55.353 -2.155 25509 2636 1 4 . 1 1 111 111 LEU H H 111 7.031 7.031 8.801 -1.770 25509 2637 1 4 . 1 1 117 117 PRO C C 117 178.666 178.666 176.988 1.678 25509 2638 1 4 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.990 1.006 25509 2639 1 4 . 1 1 118 118 ASP N N 118 118.659 118.659 117.939 0.720 25509 2640 1 4 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.701 -0.267 25509 2641 1 4 . 1 1 118 118 ASP C C 118 178.263 178.263 177.708 0.555 25509 2642 1 4 . 1 1 118 118 ASP CA C 118 56.740 56.740 56.425 0.316 25509 2643 1 4 . 1 1 118 118 ASP H H 118 8.215 8.215 8.298 -0.083 25509 2644 1 4 . 1 1 119 119 TYR N N 119 122.818 122.818 120.924 1.894 25509 2645 1 4 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.170 0.034 25509 2646 1 4 . 1 1 119 119 TYR C C 119 177.538 177.538 177.191 0.347 25509 2647 1 4 . 1 1 119 119 TYR CA C 119 60.942 60.942 61.011 -0.069 25509 2648 1 4 . 1 1 119 119 TYR H H 119 7.994 7.994 7.690 0.304 25509 2649 1 4 . 1 1 120 120 GLN N N 120 117.143 117.143 117.944 -0.801 25509 2650 1 4 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.671 -0.163 25509 2651 1 4 . 1 1 120 120 GLN C C 120 177.702 177.702 178.198 -0.496 25509 2652 1 4 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.048 -0.062 25509 2653 1 4 . 1 1 120 120 GLN H H 120 7.898 7.898 8.453 -0.555 25509 2654 1 4 . 1 1 121 121 GLU N N 121 117.707 117.707 117.943 -0.236 25509 2655 1 4 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.004 -0.113 25509 2656 1 4 . 1 1 121 121 GLU C C 121 178.815 178.815 178.648 0.167 25509 2657 1 4 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.867 -0.264 25509 2658 1 4 . 1 1 121 121 GLU H H 121 7.829 7.829 7.746 0.083 25509 2659 1 4 . 1 1 122 122 ALA N N 122 123.710 123.710 122.589 1.121 25509 2660 1 4 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.090 -0.190 25509 2661 1 4 . 1 1 122 122 ALA C C 122 180.296 180.296 179.733 0.563 25509 2662 1 4 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.759 0.190 25509 2663 1 4 . 1 1 122 122 ALA H H 122 7.881 7.881 7.750 0.131 25509 2664 1 4 . 1 1 123 123 LEU N N 123 119.307 119.307 118.019 1.288 25509 2665 1 4 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.840 -0.049 25509 2666 1 4 . 1 1 123 123 LEU C C 123 179.075 179.075 179.013 0.062 25509 2667 1 4 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.590 -0.053 25509 2668 1 4 . 1 1 123 123 LEU H H 123 8.073 8.073 7.900 0.173 25509 2669 1 4 . 1 1 124 124 ARG N N 124 118.146 118.146 117.784 0.362 25509 2670 1 4 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.903 -0.071 25509 2671 1 4 . 1 1 124 124 ARG C C 124 179.745 179.745 178.429 1.316 25509 2672 1 4 . 1 1 124 124 ARG CA C 124 60.155 60.155 59.615 0.540 25509 2673 1 4 . 1 1 124 124 ARG H H 124 8.074 8.074 7.736 0.338 25509 2674 1 4 . 1 1 125 125 SER N N 125 117.399 117.399 115.561 1.838 25509 2675 1 4 . 1 1 125 125 SER HA H 125 4.151 4.151 4.229 -0.078 25509 2676 1 4 . 1 1 125 125 SER C C 125 176.389 176.389 176.135 0.254 25509 2677 1 4 . 1 1 125 125 SER CA C 125 54.752 54.752 61.894 -7.142 25509 2678 1 4 . 1 1 125 125 SER H H 125 8.471 8.471 7.424 1.047 25509 2679 1 4 . 1 1 126 126 LEU N N 126 125.924 125.924 121.700 4.224 25509 2680 1 4 . 1 1 126 126 LEU HA H 126 3.970 3.970 3.963 0.007 25509 2681 1 4 . 1 1 126 126 LEU C C 126 177.721 177.721 178.234 -0.513 25509 2682 1 4 . 1 1 126 126 LEU CA C 126 57.423 57.423 58.594 -1.171 25509 2683 1 4 . 1 1 126 126 LEU H H 126 7.621 7.621 7.486 0.135 25509 2684 1 4 . 1 1 127 127 ALA N N 127 122.932 122.932 120.823 2.109 25509 2685 1 4 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.383 0.293 25509 2686 1 4 . 1 1 127 127 ALA C C 127 182.614 182.614 179.335 3.279 25509 2687 1 4 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.426 -0.452 25509 2688 1 4 . 1 1 127 127 ALA H H 127 7.973 7.973 7.580 0.393 25509 2689 1 4 . 1 1 128 128 GLN N N 128 120.408 120.408 117.561 2.847 25509 2690 1 4 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.095 -0.066 25509 2691 1 4 . 1 1 128 128 GLN C C 128 177.613 177.613 176.667 0.946 25509 2692 1 4 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.152 -0.101 25509 2693 1 4 . 1 1 128 128 GLN H H 128 8.690 8.690 7.740 0.950 25509 2694 1 4 . 1 1 129 129 ALA N N 129 120.391 120.391 121.528 -1.137 25509 2695 1 4 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.299 -0.016 25509 2696 1 4 . 1 1 129 129 ALA C C 129 177.019 177.019 177.992 -0.973 25509 2697 1 4 . 1 1 129 129 ALA CA C 129 52.171 52.171 53.140 -0.969 25509 2698 1 4 . 1 1 129 129 ALA H H 129 7.542 7.542 7.468 0.074 25509 2699 1 4 . 1 1 130 130 GLY N N 130 104.533 104.533 104.460 0.073 25509 2700 1 4 . 1 1 130 130 GLY C C 130 175.291 175.291 172.220 3.071 25509 2701 1 4 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.943 -0.667 25509 2702 1 4 . 1 1 130 130 GLY H H 130 7.760 7.760 8.157 -0.397 25509 2703 1 4 . 1 1 131 131 ALA N N 131 124.759 124.759 122.149 2.610 25509 2704 1 4 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.563 -0.976 25509 2705 1 4 . 1 1 131 131 ALA C C 131 177.045 177.045 175.467 1.578 25509 2706 1 4 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.280 1.334 25509 2707 1 4 . 1 1 131 131 ALA H H 131 7.543 7.543 7.739 -0.196 25509 2708 1 4 . 1 1 132 132 THR N N 132 120.565 120.565 115.933 4.632 25509 2709 1 4 . 1 1 132 132 THR HA H 132 4.293 4.293 4.555 -0.262 25509 2710 1 4 . 1 1 132 132 THR C C 132 172.940 172.940 173.069 -0.129 25509 2711 1 4 . 1 1 132 132 THR CA C 132 62.285 62.285 62.057 0.228 25509 2712 1 4 . 1 1 132 132 THR H H 132 7.983 7.983 8.678 -0.695 25509 2713 1 4 . 1 1 133 133 ILE N N 133 128.874 128.874 127.370 1.504 25509 2714 1 4 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.698 0.007 25509 2715 1 4 . 1 1 133 133 ILE C C 133 173.707 173.707 174.728 -1.021 25509 2716 1 4 . 1 1 133 133 ILE CA C 133 59.898 59.898 60.218 -0.320 25509 2717 1 4 . 1 1 133 133 ILE H H 133 8.641 8.641 8.506 0.135 25509 2718 1 4 . 1 1 134 134 LYS N N 134 125.904 125.904 126.756 -0.852 25509 2719 1 4 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.598 -0.108 25509 2720 1 4 . 1 1 134 134 LYS C C 134 174.736 174.736 174.356 0.380 25509 2721 1 4 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.605 0.301 25509 2722 1 4 . 1 1 134 134 LYS H H 134 8.878 8.878 8.374 0.504 25509 2723 1 4 . 1 1 135 135 ILE N N 135 121.444 121.444 122.645 -1.201 25509 2724 1 4 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.167 0.477 25509 2725 1 4 . 1 1 135 135 ILE C C 135 177.563 177.563 177.649 -0.086 25509 2726 1 4 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.824 -3.990 25509 2727 1 4 . 1 1 135 135 ILE H H 135 8.601 8.601 8.746 -0.145 25509 2728 1 4 . 1 1 136 136 MET N N 136 124.557 124.557 124.601 -0.044 25509 2729 1 4 . 1 1 136 136 MET HA H 136 3.741 3.741 4.646 -0.905 25509 2730 1 4 . 1 1 136 136 MET C C 136 174.070 174.070 174.091 -0.021 25509 2731 1 4 . 1 1 136 136 MET CA C 136 58.298 58.298 57.212 1.087 25509 2732 1 4 . 1 1 136 136 MET H H 136 8.550 8.550 8.322 0.228 25509 2733 1 4 . 1 1 137 137 ASN N N 137 126.678 126.678 120.707 5.971 25509 2734 1 4 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.086 -0.078 25509 2735 1 4 . 1 1 137 137 ASN C C 137 174.733 174.733 175.934 -1.201 25509 2736 1 4 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.221 -1.327 25509 2737 1 4 . 1 1 137 137 ASN H H 137 9.480 9.480 8.169 1.311 25509 2738 1 4 . 1 1 138 138 TYR N N 138 123.587 123.587 122.912 0.675 25509 2739 1 4 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.510 -0.669 25509 2740 1 4 . 1 1 138 138 TYR C C 138 176.154 176.154 176.716 -0.562 25509 2741 1 4 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.288 1.524 25509 2742 1 4 . 1 1 138 138 TYR H H 138 9.914 9.914 8.765 1.149 25509 2743 1 4 . 1 1 139 139 ASP N N 139 116.024 116.024 117.838 -1.814 25509 2744 1 4 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.383 -0.267 25509 2745 1 4 . 1 1 139 139 ASP C C 139 179.067 179.067 177.818 1.249 25509 2746 1 4 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.102 0.389 25509 2747 1 4 . 1 1 139 139 ASP H H 139 8.976 8.976 8.824 0.152 25509 2748 1 4 . 1 1 140 140 GLU N N 140 118.087 118.087 120.130 -2.043 25509 2749 1 4 . 1 1 140 140 GLU HA H 140 3.826 3.826 4.048 -0.222 25509 2750 1 4 . 1 1 140 140 GLU C C 140 178.692 178.692 177.983 0.709 25509 2751 1 4 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.531 2.069 25509 2752 1 4 . 1 1 140 140 GLU H H 140 7.540 7.540 8.135 -0.595 25509 2753 1 4 . 1 1 141 141 PHE N N 141 119.608 119.608 120.278 -0.670 25509 2754 1 4 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.302 -0.514 25509 2755 1 4 . 1 1 141 141 PHE C C 141 176.881 176.881 178.107 -1.226 25509 2756 1 4 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.759 0.944 25509 2757 1 4 . 1 1 141 141 PHE H H 141 8.032 8.032 7.557 0.475 25509 2758 1 4 . 1 1 142 142 GLN N N 142 118.759 118.759 119.265 -0.506 25509 2759 1 4 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.079 -0.058 25509 2760 1 4 . 1 1 142 142 GLN C C 142 177.945 177.945 178.065 -0.120 25509 2761 1 4 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.108 -0.329 25509 2762 1 4 . 1 1 142 142 GLN H H 142 8.223 8.223 8.661 -0.438 25509 2763 1 4 . 1 1 143 143 HIS N N 143 120.774 120.774 120.252 0.522 25509 2764 1 4 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.420 -0.442 25509 2765 1 4 . 1 1 143 143 HIS C C 143 177.147 177.147 177.411 -0.264 25509 2766 1 4 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.726 -0.359 25509 2767 1 4 . 1 1 143 143 HIS H H 143 7.924 7.924 7.677 0.247 25509 2768 1 4 . 1 1 144 144 CYS N N 144 117.600 117.600 119.885 -2.285 25509 2769 1 4 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.288 -0.450 25509 2770 1 4 . 1 1 144 144 CYS C C 144 176.233 176.233 176.896 -0.663 25509 2771 1 4 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.187 -0.335 25509 2772 1 4 . 1 1 144 144 CYS H H 144 7.892 7.892 8.455 -0.563 25509 2773 1 4 . 1 1 145 145 TRP N N 145 120.806 120.806 121.362 -0.556 25509 2774 1 4 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.946 -0.677 25509 2775 1 4 . 1 1 145 145 TRP C C 145 177.085 177.085 177.433 -0.348 25509 2776 1 4 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.493 -1.040 25509 2777 1 4 . 1 1 145 145 TRP H H 145 8.201 8.201 8.874 -0.673 25509 2778 1 4 . 1 1 146 146 SER N N 146 111.555 111.555 114.028 -2.473 25509 2779 1 4 . 1 1 146 146 SER C C 146 176.199 176.199 176.384 -0.185 25509 2780 1 4 . 1 1 146 146 SER CA C 146 60.827 60.827 60.991 -0.164 25509 2781 1 4 . 1 1 146 146 SER H H 146 8.032 8.032 7.676 0.356 25509 2782 1 4 . 1 1 147 147 LYS N N 147 115.563 115.563 122.670 -7.107 25509 2783 1 4 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.089 -0.115 25509 2784 1 4 . 1 1 147 147 LYS C C 147 177.448 177.448 178.054 -0.606 25509 2785 1 4 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.814 -2.350 25509 2786 1 4 . 1 1 147 147 LYS H H 147 7.684 7.684 7.617 0.068 25509 2787 1 4 . 1 1 148 148 PHE N N 148 113.648 113.648 116.813 -3.165 25509 2788 1 4 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.327 0.150 25509 2789 1 4 . 1 1 148 148 PHE C C 148 174.293 174.293 176.061 -1.768 25509 2790 1 4 . 1 1 148 148 PHE CA C 148 58.180 58.180 60.033 -1.853 25509 2791 1 4 . 1 1 148 148 PHE H H 148 8.134 8.134 8.220 -0.086 25509 2792 1 4 . 1 1 149 149 VAL N N 149 119.139 119.139 116.325 2.814 25509 2793 1 4 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.888 0.221 25509 2794 1 4 . 1 1 149 149 VAL C C 149 175.690 175.690 175.764 -0.074 25509 2795 1 4 . 1 1 149 149 VAL CA C 149 60.309 60.309 60.667 -0.358 25509 2796 1 4 . 1 1 149 149 VAL H H 149 6.787 6.787 7.289 -0.502 25509 2797 1 4 . 1 1 150 150 TYR N N 150 129.042 129.042 124.559 4.483 25509 2798 1 4 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.231 0.333 25509 2799 1 4 . 1 1 150 150 TYR C C 150 173.826 173.826 176.345 -2.519 25509 2800 1 4 . 1 1 150 150 TYR CA C 150 55.580 55.580 59.729 -4.149 25509 2801 1 4 . 1 1 150 150 TYR H H 150 8.552 8.552 8.329 0.223 25509 2802 1 4 . 1 1 151 151 SER N N 151 119.931 119.931 114.716 5.215 25509 2803 1 4 . 1 1 151 151 SER HA H 151 4.585 4.585 3.806 0.779 25509 2804 1 4 . 1 1 151 151 SER C C 151 176.209 176.209 173.569 2.640 25509 2805 1 4 . 1 1 151 151 SER CA C 151 57.497 57.497 60.036 -2.539 25509 2806 1 4 . 1 1 151 151 SER H H 151 7.787 7.787 7.782 0.005 25509 2807 1 4 . 1 1 152 152 GLN N N 152 120.381 120.381 116.572 3.809 25509 2808 1 4 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.014 -0.299 25509 2809 1 4 . 1 1 152 152 GLN C C 152 175.787 175.787 175.496 0.291 25509 2810 1 4 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.234 0.242 25509 2811 1 4 . 1 1 152 152 GLN H H 152 8.386 8.386 7.658 0.728 25509 2812 1 4 . 1 1 153 153 GLY N N 153 106.086 106.086 105.503 0.583 25509 2813 1 4 . 1 1 153 153 GLY C C 153 174.309 174.309 173.867 0.442 25509 2814 1 4 . 1 1 153 153 GLY CA C 153 44.902 44.902 44.642 0.260 25509 2815 1 4 . 1 1 153 153 GLY H H 153 8.047 8.047 8.029 0.018 25509 2816 1 4 . 1 1 154 154 ALA N N 154 125.790 125.790 122.841 2.949 25509 2817 1 4 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.610 -0.028 25509 2818 1 4 . 1 1 154 154 ALA C C 154 176.022 176.022 176.114 -0.092 25509 2819 1 4 . 1 1 154 154 ALA CA C 154 49.894 49.894 50.020 -0.126 25509 2820 1 4 . 1 1 154 154 ALA H H 154 7.562 7.562 7.855 -0.293 25509 2821 1 4 . 1 1 155 155 PRO C C 155 175.578 175.578 175.178 0.400 25509 2822 1 4 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.451 -0.790 25509 2823 1 4 . 1 1 156 156 PHE N N 156 121.116 121.116 124.511 -3.395 25509 2824 1 4 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.097 -1.751 25509 2825 1 4 . 1 1 156 156 PHE C C 156 174.254 174.254 173.737 0.517 25509 2826 1 4 . 1 1 156 156 PHE CA C 156 56.414 56.414 56.990 -0.576 25509 2827 1 4 . 1 1 156 156 PHE H H 156 8.288 8.288 8.117 0.171 25509 2828 1 4 . 1 1 157 157 GLN N N 157 129.600 129.600 126.654 2.946 25509 2829 1 4 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.753 -0.447 25509 2830 1 4 . 1 1 157 157 GLN C C 157 171.628 171.628 173.955 -2.327 25509 2831 1 4 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.167 -1.652 25509 2832 1 4 . 1 1 157 157 GLN H H 157 7.205 7.205 7.830 -0.625 25509 2833 1 4 . 1 1 158 158 PRO C C 158 175.224 175.224 175.254 -0.030 25509 2834 1 4 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.459 -0.736 25509 2835 1 4 . 1 1 159 159 TRP N N 159 117.795 117.795 122.504 -4.709 25509 2836 1 4 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.734 -0.036 25509 2837 1 4 . 1 1 159 159 TRP C C 159 175.906 175.906 177.043 -1.137 25509 2838 1 4 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.809 -2.281 25509 2839 1 4 . 1 1 159 159 TRP H H 159 5.628 5.628 7.508 -1.880 25509 2840 1 4 . 1 1 160 160 ASP N N 160 122.363 122.363 123.054 -0.691 25509 2841 1 4 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.593 -0.270 25509 2842 1 4 . 1 1 160 160 ASP C C 160 177.598 177.598 176.743 0.855 25509 2843 1 4 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.527 0.868 25509 2844 1 4 . 1 1 160 160 ASP H H 160 8.766 8.766 8.528 0.238 25509 2845 1 4 . 1 1 161 161 GLY N N 161 111.982 111.982 107.661 4.321 25509 2846 1 4 . 1 1 161 161 GLY C C 161 173.833 173.833 175.018 -1.185 25509 2847 1 4 . 1 1 161 161 GLY CA C 161 45.382 45.382 44.981 0.401 25509 2848 1 4 . 1 1 161 161 GLY H H 161 8.887 8.887 7.938 0.949 25509 2849 1 4 . 1 1 162 162 LEU N N 162 121.971 121.971 121.324 0.647 25509 2850 1 4 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.188 0.084 25509 2851 1 4 . 1 1 162 162 LEU C C 162 179.345 179.345 177.372 1.973 25509 2852 1 4 . 1 1 162 162 LEU CA C 162 60.554 60.554 58.100 2.454 25509 2853 1 4 . 1 1 162 162 LEU H H 162 7.078 7.078 8.196 -1.118 25509 2854 1 4 . 1 1 163 163 ASP N N 163 118.366 118.366 118.601 -0.235 25509 2855 1 4 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.564 -0.105 25509 2856 1 4 . 1 1 163 163 ASP C C 163 178.182 178.182 178.848 -0.666 25509 2857 1 4 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.386 -0.278 25509 2858 1 4 . 1 1 163 163 ASP H H 163 8.679 8.679 8.472 0.207 25509 2859 1 4 . 1 1 164 164 GLU N N 164 121.998 121.998 118.323 3.675 25509 2860 1 4 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.271 -0.336 25509 2861 1 4 . 1 1 164 164 GLU C C 164 180.355 180.355 178.994 1.361 25509 2862 1 4 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.286 0.328 25509 2863 1 4 . 1 1 164 164 GLU H H 164 8.374 8.374 8.572 -0.198 25509 2864 1 4 . 1 1 165 165 HIS N N 165 120.268 120.268 118.875 1.393 25509 2865 1 4 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.558 0.044 25509 2866 1 4 . 1 1 165 165 HIS C C 165 178.924 178.924 177.756 1.168 25509 2867 1 4 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.052 0.341 25509 2868 1 4 . 1 1 165 165 HIS H H 165 8.707 8.707 8.453 0.254 25509 2869 1 4 . 1 1 166 166 SER N N 166 118.252 118.252 116.736 1.516 25509 2870 1 4 . 1 1 166 166 SER HA H 166 4.400 4.400 4.381 0.019 25509 2871 1 4 . 1 1 166 166 SER C C 166 177.421 177.421 176.660 0.761 25509 2872 1 4 . 1 1 166 166 SER CA C 166 63.202 63.202 61.969 1.233 25509 2873 1 4 . 1 1 166 166 SER H H 166 8.649 8.649 8.734 -0.085 25509 2874 1 4 . 1 1 167 167 GLN N N 167 121.647 121.647 120.286 1.361 25509 2875 1 4 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.178 -0.002 25509 2876 1 4 . 1 1 167 167 GLN C C 167 179.643 179.643 178.050 1.593 25509 2877 1 4 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.214 0.568 25509 2878 1 4 . 1 1 167 167 GLN H H 167 8.645 8.645 7.987 0.658 25509 2879 1 4 . 1 1 168 168 ALA N N 168 124.242 124.242 123.138 1.104 25509 2880 1 4 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.140 0.109 25509 2881 1 4 . 1 1 168 168 ALA C C 168 181.949 181.949 179.583 2.366 25509 2882 1 4 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.673 0.207 25509 2883 1 4 . 1 1 168 168 ALA H H 168 8.092 8.092 7.636 0.456 25509 2884 1 4 . 1 1 169 169 LEU N N 169 120.509 120.509 118.452 2.057 25509 2885 1 4 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.008 0.079 25509 2886 1 4 . 1 1 169 169 LEU C C 169 179.159 179.159 178.834 0.325 25509 2887 1 4 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.066 0.537 25509 2888 1 4 . 1 1 169 169 LEU H H 169 8.526 8.526 8.237 0.289 25509 2889 1 4 . 1 1 170 170 SER N N 170 117.410 117.410 115.102 2.308 25509 2890 1 4 . 1 1 170 170 SER HA H 170 4.128 4.128 4.142 -0.014 25509 2891 1 4 . 1 1 170 170 SER C C 170 178.370 178.370 177.022 1.348 25509 2892 1 4 . 1 1 170 170 SER CA C 170 62.240 62.240 62.313 -0.073 25509 2893 1 4 . 1 1 170 170 SER H H 170 8.853 8.853 8.296 0.557 25509 2894 1 4 . 1 1 171 171 GLY N N 171 111.058 111.058 108.087 2.971 25509 2895 1 4 . 1 1 171 171 GLY C C 171 176.376 176.376 175.685 0.691 25509 2896 1 4 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.853 -0.180 25509 2897 1 4 . 1 1 171 171 GLY H H 171 8.175 8.175 7.941 0.234 25509 2898 1 4 . 1 1 172 172 ARG N N 172 123.131 123.131 121.011 2.120 25509 2899 1 4 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.157 0.034 25509 2900 1 4 . 1 1 172 172 ARG C C 172 178.807 178.807 178.317 0.490 25509 2901 1 4 . 1 1 172 172 ARG CA C 172 58.189 58.189 58.203 -0.014 25509 2902 1 4 . 1 1 172 172 ARG H H 172 7.578 7.578 7.323 0.255 25509 2903 1 4 . 1 1 173 173 LEU N N 173 120.594 120.594 120.307 0.287 25509 2904 1 4 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.172 -0.180 25509 2905 1 4 . 1 1 173 173 LEU C C 173 178.396 178.396 178.245 0.151 25509 2906 1 4 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.121 -0.660 25509 2907 1 4 . 1 1 173 173 LEU H H 173 8.813 8.813 7.679 1.134 25509 2908 1 4 . 1 1 174 174 GLY N N 174 105.456 105.456 105.998 -0.542 25509 2909 1 4 . 1 1 174 174 GLY C C 174 176.170 176.170 176.034 0.136 25509 2910 1 4 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.666 -0.025 25509 2911 1 4 . 1 1 174 174 GLY H H 174 8.221 8.221 7.716 0.505 25509 2912 1 4 . 1 1 175 175 GLU N N 175 120.171 120.171 121.906 -1.735 25509 2913 1 4 . 1 1 175 175 GLU HA H 175 4.080 4.080 3.989 0.091 25509 2914 1 4 . 1 1 175 175 GLU C C 175 179.100 179.100 178.765 0.335 25509 2915 1 4 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.503 -0.053 25509 2916 1 4 . 1 1 175 175 GLU H H 175 7.478 7.478 7.521 -0.043 25509 2917 1 4 . 1 1 176 176 ILE N N 176 119.642 119.642 119.785 -0.143 25509 2918 1 4 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.643 0.037 25509 2919 1 4 . 1 1 176 176 ILE C C 176 177.560 177.560 177.313 0.247 25509 2920 1 4 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.311 -0.835 25509 2921 1 4 . 1 1 176 176 ILE H H 176 7.755 7.755 7.541 0.214 25509 2922 1 4 . 1 1 177 177 LEU N N 177 116.019 116.019 118.910 -2.891 25509 2923 1 4 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.313 -0.222 25509 2924 1 4 . 1 1 177 177 LEU C C 177 177.520 177.520 177.962 -0.442 25509 2925 1 4 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.920 -1.668 25509 2926 1 4 . 1 1 177 177 LEU H H 177 8.067 8.067 7.423 0.644 25509 2927 1 4 . 1 1 178 178 ARG N N 178 118.755 118.755 118.310 0.445 25509 2928 1 4 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.098 0.041 25509 2929 1 4 . 1 1 178 178 ARG C C 178 175.953 175.953 177.133 -1.180 25509 2930 1 4 . 1 1 178 178 ARG CA C 178 56.683 56.683 58.122 -1.439 25509 2931 1 4 . 1 1 178 178 ARG H H 178 7.566 7.566 7.484 0.082 25509 2932 1 4 . 1 1 179 179 HIS N N 179 120.648 120.648 116.640 4.008 25509 2933 1 4 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.668 -0.056 25509 2934 1 4 . 1 1 179 179 HIS C C 179 174.365 174.365 173.487 0.878 25509 2935 1 4 . 1 1 179 179 HIS CA C 179 55.781 55.781 54.867 0.914 25509 2936 1 4 . 1 1 179 179 HIS H H 179 8.140 8.140 8.075 0.065 25509 2937 1 5 . 1 1 2 2 ASP N N 2 123.241 123.241 122.951 0.290 25509 2938 1 5 . 1 1 2 2 ASP C C 2 174.657 174.657 175.639 -0.982 25509 2939 1 5 . 1 1 2 2 ASP CA C 2 52.100 52.100 56.120 -4.020 25509 2940 1 5 . 1 1 2 2 ASP H H 2 8.114 8.114 8.516 -0.402 25509 2941 1 5 . 1 1 3 3 PRO C C 3 178.464 178.464 175.672 2.792 25509 2942 1 5 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.542 2.957 25509 2943 1 5 . 1 1 4 4 ASP N N 4 118.258 118.258 122.325 -4.067 25509 2944 1 5 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.687 -0.239 25509 2945 1 5 . 1 1 4 4 ASP C C 4 178.808 178.808 177.362 1.446 25509 2946 1 5 . 1 1 4 4 ASP CA C 4 57.247 57.247 55.904 1.343 25509 2947 1 5 . 1 1 4 4 ASP H H 4 8.509 8.509 8.508 0.001 25509 2948 1 5 . 1 1 5 5 THR N N 5 119.780 119.780 116.056 3.724 25509 2949 1 5 . 1 1 5 5 THR HA H 5 3.859 3.859 4.333 -0.474 25509 2950 1 5 . 1 1 5 5 THR C C 5 177.699 177.699 175.936 1.763 25509 2951 1 5 . 1 1 5 5 THR CA C 5 66.182 66.182 65.915 0.267 25509 2952 1 5 . 1 1 5 5 THR H H 5 8.150 8.150 8.502 -0.352 25509 2953 1 5 . 1 1 6 6 PHE N N 6 124.329 124.329 121.841 2.488 25509 2954 1 5 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.553 -0.349 25509 2955 1 5 . 1 1 6 6 PHE C C 6 176.665 176.665 176.172 0.493 25509 2956 1 5 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.636 0.164 25509 2957 1 5 . 1 1 6 6 PHE H H 6 8.297 8.297 8.802 -0.505 25509 2958 1 5 . 1 1 7 7 SER N N 7 116.185 116.185 113.739 2.446 25509 2959 1 5 . 1 1 7 7 SER C C 7 176.138 176.138 175.910 0.228 25509 2960 1 5 . 1 1 7 7 SER CA C 7 61.480 61.480 61.233 0.247 25509 2961 1 5 . 1 1 7 7 SER H H 7 8.752 8.752 8.648 0.104 25509 2962 1 5 . 1 1 8 8 TYR N N 8 118.689 118.689 119.862 -1.173 25509 2963 1 5 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.386 -0.339 25509 2964 1 5 . 1 1 8 8 TYR C C 8 177.077 177.077 176.031 1.046 25509 2965 1 5 . 1 1 8 8 TYR CA C 8 60.282 60.282 61.127 -0.845 25509 2966 1 5 . 1 1 8 8 TYR H H 8 7.967 7.967 7.600 0.367 25509 2967 1 5 . 1 1 9 9 ASN N N 9 113.034 113.034 114.982 -1.948 25509 2968 1 5 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.543 -0.313 25509 2969 1 5 . 1 1 9 9 ASN C C 9 175.101 175.101 176.718 -1.617 25509 2970 1 5 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.885 2.202 25509 2971 1 5 . 1 1 9 9 ASN H H 9 7.577 7.577 7.802 -0.225 25509 2972 1 5 . 1 1 10 10 PHE N N 10 117.719 117.719 117.804 -0.085 25509 2973 1 5 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.348 -0.472 25509 2974 1 5 . 1 1 10 10 PHE C C 10 171.880 171.880 175.300 -3.420 25509 2975 1 5 . 1 1 10 10 PHE CA C 10 58.762 58.762 59.449 -0.687 25509 2976 1 5 . 1 1 10 10 PHE H H 10 8.655 8.655 7.451 1.204 25509 2977 1 5 . 1 1 11 11 ASN N N 11 114.885 114.885 117.808 -2.923 25509 2978 1 5 . 1 1 11 11 ASN C C 11 174.730 174.730 173.952 0.778 25509 2979 1 5 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.550 -0.111 25509 2980 1 5 . 1 1 11 11 ASN H H 11 6.097 6.097 7.500 -1.403 25509 2981 1 5 . 1 1 12 12 ASN N N 12 121.039 121.039 118.441 2.598 25509 2982 1 5 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.714 -0.349 25509 2983 1 5 . 1 1 12 12 ASN C C 12 174.578 174.578 174.939 -0.361 25509 2984 1 5 . 1 1 12 12 ASN CA C 12 51.417 51.417 51.796 -0.379 25509 2985 1 5 . 1 1 12 12 ASN H H 12 6.688 6.688 8.996 -2.308 25509 2986 1 5 . 1 1 13 13 ARG N N 13 119.646 119.646 120.134 -0.488 25509 2987 1 5 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.183 -0.595 25509 2988 1 5 . 1 1 13 13 ARG C C 13 175.049 175.049 174.568 0.481 25509 2989 1 5 . 1 1 13 13 ARG CA C 13 54.330 54.330 55.275 -0.945 25509 2990 1 5 . 1 1 13 13 ARG H H 13 7.589 7.589 7.652 -0.063 25509 2991 1 5 . 1 1 14 14 PRO C C 14 176.477 176.477 176.680 -0.203 25509 2992 1 5 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.601 0.579 25509 2993 1 5 . 1 1 15 15 ILE N N 15 120.304 120.304 116.722 3.582 25509 2994 1 5 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.793 0.490 25509 2995 1 5 . 1 1 15 15 ILE C C 15 175.956 175.956 176.258 -0.302 25509 2996 1 5 . 1 1 15 15 ILE CA C 15 60.026 60.026 60.794 -0.768 25509 2997 1 5 . 1 1 15 15 ILE H H 15 7.827 7.827 8.122 -0.295 25509 2998 1 5 . 1 1 16 16 LEU N N 16 124.585 124.585 128.496 -3.911 25509 2999 1 5 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.269 0.032 25509 3000 1 5 . 1 1 16 16 LEU C C 16 177.213 177.213 176.368 0.845 25509 3001 1 5 . 1 1 16 16 LEU CA C 16 55.089 55.089 56.266 -1.177 25509 3002 1 5 . 1 1 16 16 LEU H H 16 8.283 8.283 8.273 0.010 25509 3003 1 5 . 1 1 17 17 SER N N 17 115.176 115.176 120.039 -4.863 25509 3004 1 5 . 1 1 17 17 SER C C 17 173.733 173.733 172.994 0.739 25509 3005 1 5 . 1 1 17 17 SER CA C 17 57.371 57.371 57.747 -0.376 25509 3006 1 5 . 1 1 17 17 SER H H 17 7.782 7.782 8.349 -0.567 25509 3007 1 5 . 1 1 18 18 ARG N N 18 122.072 122.072 119.464 2.608 25509 3008 1 5 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.352 -0.148 25509 3009 1 5 . 1 1 18 18 ARG C C 18 176.524 176.524 176.474 0.050 25509 3010 1 5 . 1 1 18 18 ARG CA C 18 55.944 55.944 55.434 0.510 25509 3011 1 5 . 1 1 18 18 ARG H H 18 8.318 8.318 7.817 0.501 25509 3012 1 5 . 1 1 21 21 THR HA H 21 4.574 4.574 3.634 0.940 25509 3013 1 5 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.050 -0.020 25509 3014 1 5 . 1 1 22 22 VAL CA C 22 61.772 61.772 62.124 -0.353 25509 3015 1 5 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.127 -0.048 25509 3016 1 5 . 1 1 24 24 LEU C C 24 174.326 174.326 175.488 -1.162 25509 3017 1 5 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.175 0.028 25509 3018 1 5 . 1 1 25 25 CYS N N 25 126.908 126.908 121.878 5.030 25509 3019 1 5 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.338 -0.639 25509 3020 1 5 . 1 1 25 25 CYS C C 25 173.285 173.285 174.613 -1.328 25509 3021 1 5 . 1 1 25 25 CYS CA C 25 57.086 57.086 59.237 -2.151 25509 3022 1 5 . 1 1 25 25 CYS H H 25 9.325 9.325 8.638 0.687 25509 3023 1 5 . 1 1 26 26 TYR N N 26 120.745 120.745 122.279 -1.534 25509 3024 1 5 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.945 0.355 25509 3025 1 5 . 1 1 26 26 TYR C C 26 173.449 173.449 174.429 -0.980 25509 3026 1 5 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.638 -0.056 25509 3027 1 5 . 1 1 26 26 TYR H H 26 9.039 9.039 8.823 0.216 25509 3028 1 5 . 1 1 27 27 GLU N N 27 118.222 118.222 119.250 -1.028 25509 3029 1 5 . 1 1 27 27 GLU C C 27 175.348 175.348 175.806 -0.458 25509 3030 1 5 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.388 -0.840 25509 3031 1 5 . 1 1 27 27 GLU H H 27 9.358 9.358 8.940 0.418 25509 3032 1 5 . 1 1 28 28 VAL N N 28 124.182 124.182 124.120 0.062 25509 3033 1 5 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.828 0.086 25509 3034 1 5 . 1 1 28 28 VAL C C 28 174.085 174.085 175.022 -0.937 25509 3035 1 5 . 1 1 28 28 VAL CA C 28 61.231 61.231 60.805 0.426 25509 3036 1 5 . 1 1 28 28 VAL H H 28 9.479 9.479 9.382 0.097 25509 3037 1 5 . 1 1 29 29 LYS N N 29 127.566 127.566 124.897 2.669 25509 3038 1 5 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.865 0.526 25509 3039 1 5 . 1 1 29 29 LYS C C 29 175.631 175.631 175.265 0.366 25509 3040 1 5 . 1 1 29 29 LYS CA C 29 54.136 54.136 53.550 0.586 25509 3041 1 5 . 1 1 29 29 LYS H H 29 9.151 9.151 8.729 0.421 25509 3042 1 5 . 1 1 30 30 THR N N 30 118.721 118.721 110.623 8.098 25509 3043 1 5 . 1 1 30 30 THR HA H 30 4.617 4.617 4.196 0.421 25509 3044 1 5 . 1 1 30 30 THR C C 30 173.948 173.948 175.302 -1.354 25509 3045 1 5 . 1 1 30 30 THR CA C 30 61.228 61.228 59.714 1.514 25509 3046 1 5 . 1 1 30 30 THR H H 30 8.615 8.615 7.989 0.626 25509 3047 1 5 . 1 1 31 31 LYS N N 31 125.634 125.634 120.735 4.899 25509 3048 1 5 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.112 -0.244 25509 3049 1 5 . 1 1 31 31 LYS C C 31 176.799 176.799 176.918 -0.119 25509 3050 1 5 . 1 1 31 31 LYS CA C 31 56.250 56.250 57.660 -1.410 25509 3051 1 5 . 1 1 31 31 LYS H H 31 8.400 8.400 8.162 0.238 25509 3052 1 5 . 1 1 32 32 GLY N N 32 111.069 111.069 107.492 3.577 25509 3053 1 5 . 1 1 32 32 GLY C C 32 171.007 171.007 171.818 -0.811 25509 3054 1 5 . 1 1 32 32 GLY CA C 32 44.006 44.006 44.564 -0.558 25509 3055 1 5 . 1 1 32 32 GLY H H 32 8.170 8.170 7.836 0.334 25509 3056 1 5 . 1 1 33 33 PRO C C 33 176.964 176.964 176.460 0.504 25509 3057 1 5 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.450 0.225 25509 3058 1 5 . 1 1 34 34 SER N N 34 117.301 117.301 118.961 -1.660 25509 3059 1 5 . 1 1 34 34 SER HA H 34 4.372 4.372 4.528 -0.156 25509 3060 1 5 . 1 1 34 34 SER C C 34 173.728 173.728 175.219 -1.491 25509 3061 1 5 . 1 1 34 34 SER CA C 34 57.933 57.933 57.755 0.178 25509 3062 1 5 . 1 1 34 34 SER H H 34 8.383 8.383 8.326 0.057 25509 3063 1 5 . 1 1 35 35 ARG N N 35 123.829 123.829 120.062 3.767 25509 3064 1 5 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.311 0.261 25509 3065 1 5 . 1 1 35 35 ARG C C 35 173.256 173.256 176.030 -2.774 25509 3066 1 5 . 1 1 35 35 ARG CA C 35 53.217 53.217 58.246 -5.029 25509 3067 1 5 . 1 1 35 35 ARG H H 35 8.153 8.153 8.552 -0.399 25509 3068 1 5 . 1 1 37 37 PRO C C 37 176.060 176.060 176.733 -0.673 25509 3069 1 5 . 1 1 37 37 PRO CA C 37 63.234 63.234 62.368 0.866 25509 3070 1 5 . 1 1 38 38 LEU N N 38 126.508 126.508 118.996 7.512 25509 3071 1 5 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.220 -0.081 25509 3072 1 5 . 1 1 38 38 LEU C C 38 176.490 176.490 177.113 -0.623 25509 3073 1 5 . 1 1 38 38 LEU CA C 38 55.202 55.202 55.388 -0.186 25509 3074 1 5 . 1 1 38 38 LEU H H 38 8.347 8.347 8.030 0.317 25509 3075 1 5 . 1 1 39 39 ASP N N 39 120.060 120.060 118.919 1.141 25509 3076 1 5 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.626 -0.255 25509 3077 1 5 . 1 1 39 39 ASP C C 39 175.525 175.525 176.581 -1.056 25509 3078 1 5 . 1 1 39 39 ASP CA C 39 53.948 53.948 54.798 -0.850 25509 3079 1 5 . 1 1 39 39 ASP H H 39 8.299 8.299 8.339 -0.040 25509 3080 1 5 . 1 1 40 40 ALA N N 40 123.020 123.020 122.213 0.807 25509 3081 1 5 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.537 -0.171 25509 3082 1 5 . 1 1 40 40 ALA C C 40 177.243 177.243 176.752 0.491 25509 3083 1 5 . 1 1 40 40 ALA CA C 40 51.583 51.583 51.843 -0.260 25509 3084 1 5 . 1 1 40 40 ALA H H 40 7.972 7.972 8.059 -0.087 25509 3085 1 5 . 1 1 41 41 LYS N N 41 120.582 120.582 124.882 -4.300 25509 3086 1 5 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.579 -0.229 25509 3087 1 5 . 1 1 41 41 LYS C C 41 175.874 175.874 174.458 1.416 25509 3088 1 5 . 1 1 41 41 LYS CA C 41 56.520 56.520 56.533 -0.013 25509 3089 1 5 . 1 1 41 41 LYS H H 41 8.286 8.286 8.574 -0.288 25509 3090 1 5 . 1 1 42 42 ILE N N 42 119.815 119.815 119.558 0.257 25509 3091 1 5 . 1 1 42 42 ILE HA H 42 4.878 4.878 5.314 -0.436 25509 3092 1 5 . 1 1 42 42 ILE C C 42 174.828 174.828 175.168 -0.340 25509 3093 1 5 . 1 1 42 42 ILE CA C 42 59.878 59.878 59.948 -0.070 25509 3094 1 5 . 1 1 42 42 ILE H H 42 7.830 7.830 7.747 0.083 25509 3095 1 5 . 1 1 43 43 PHE N N 43 126.131 126.131 127.144 -1.013 25509 3096 1 5 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.977 -0.092 25509 3097 1 5 . 1 1 43 43 PHE C C 43 173.801 173.801 173.661 0.140 25509 3098 1 5 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.642 -0.369 25509 3099 1 5 . 1 1 43 43 PHE H H 43 8.780 8.780 8.899 -0.119 25509 3100 1 5 . 1 1 44 44 ARG N N 44 122.879 122.879 125.275 -2.396 25509 3101 1 5 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.110 0.396 25509 3102 1 5 . 1 1 44 44 ARG C C 44 175.196 175.196 174.893 0.303 25509 3103 1 5 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.714 -0.447 25509 3104 1 5 . 1 1 44 44 ARG H H 44 8.368 8.368 7.939 0.429 25509 3105 1 5 . 1 1 45 45 GLY N N 45 108.917 108.917 109.566 -0.649 25509 3106 1 5 . 1 1 45 45 GLY C C 45 169.838 169.838 172.059 -2.221 25509 3107 1 5 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.732 0.109 25509 3108 1 5 . 1 1 45 45 GLY H H 45 7.714 7.714 7.261 0.453 25509 3109 1 5 . 1 1 46 46 GLN N N 46 113.774 113.774 117.865 -4.091 25509 3110 1 5 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.042 0.565 25509 3111 1 5 . 1 1 46 46 GLN C C 46 174.884 174.884 175.127 -0.243 25509 3112 1 5 . 1 1 46 46 GLN CA C 46 53.906 53.906 56.762 -2.856 25509 3113 1 5 . 1 1 46 46 GLN H H 46 8.411 8.411 8.774 -0.363 25509 3114 1 5 . 1 1 47 47 VAL N N 47 120.282 120.282 120.100 0.182 25509 3115 1 5 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.428 -0.053 25509 3116 1 5 . 1 1 47 47 VAL C C 47 172.005 172.005 174.940 -2.935 25509 3117 1 5 . 1 1 47 47 VAL CA C 47 59.977 59.977 61.760 -1.783 25509 3118 1 5 . 1 1 47 47 VAL H H 47 9.499 9.499 8.251 1.248 25509 3119 1 5 . 1 1 49 49 SER C C 49 173.486 173.486 173.497 -0.011 25509 3120 1 5 . 1 1 49 49 SER CA C 49 57.077 57.077 58.706 -1.629 25509 3121 1 5 . 1 1 50 50 GLU N N 50 123.998 123.998 125.086 -1.088 25509 3122 1 5 . 1 1 50 50 GLU C C 50 175.276 175.276 175.620 -0.344 25509 3123 1 5 . 1 1 50 50 GLU CA C 50 54.505 54.505 55.721 -1.216 25509 3124 1 5 . 1 1 50 50 GLU H H 50 8.748 8.748 8.646 0.102 25509 3125 1 5 . 1 1 51 51 ASP N N 51 123.737 123.737 122.098 1.639 25509 3126 1 5 . 1 1 51 51 ASP C C 51 176.320 176.320 176.664 -0.344 25509 3127 1 5 . 1 1 51 51 ASP CA C 51 52.910 52.910 54.152 -1.242 25509 3128 1 5 . 1 1 51 51 ASP H H 51 8.479 8.479 8.344 0.135 25509 3129 1 5 . 1 1 52 52 LYS N N 52 114.578 114.578 119.859 -5.281 25509 3130 1 5 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.172 -0.040 25509 3131 1 5 . 1 1 52 52 LYS C C 52 175.538 175.538 177.218 -1.680 25509 3132 1 5 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.601 -0.512 25509 3133 1 5 . 1 1 52 52 LYS H H 52 7.677 7.677 8.465 -0.788 25509 3134 1 5 . 1 1 53 53 TYR N N 53 124.836 124.836 118.795 6.041 25509 3135 1 5 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.553 0.217 25509 3136 1 5 . 1 1 53 53 TYR C C 53 175.498 175.498 175.962 -0.464 25509 3137 1 5 . 1 1 53 53 TYR CA C 53 53.507 53.507 58.035 -4.528 25509 3138 1 5 . 1 1 53 53 TYR H H 53 8.490 8.490 7.709 0.781 25509 3139 1 5 . 1 1 54 54 HIS N N 54 128.974 128.974 119.538 9.436 25509 3140 1 5 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.740 0.016 25509 3141 1 5 . 1 1 54 54 HIS C C 54 174.123 174.123 175.123 -1.000 25509 3142 1 5 . 1 1 54 54 HIS CA C 54 53.734 53.734 55.995 -2.261 25509 3143 1 5 . 1 1 54 54 HIS H H 54 8.622 8.622 8.709 -0.087 25509 3144 1 5 . 1 1 56 56 GLU C C 56 178.356 178.356 178.191 0.165 25509 3145 1 5 . 1 1 56 56 GLU CA C 56 60.597 60.597 58.639 1.958 25509 3146 1 5 . 1 1 57 57 MET N N 57 113.971 113.971 118.699 -4.728 25509 3147 1 5 . 1 1 57 57 MET HA H 57 4.433 4.433 4.261 0.172 25509 3148 1 5 . 1 1 57 57 MET C C 57 180.454 180.454 178.184 2.270 25509 3149 1 5 . 1 1 57 57 MET CA C 57 55.453 55.453 58.195 -2.742 25509 3150 1 5 . 1 1 57 57 MET H H 57 6.807 6.807 8.439 -1.632 25509 3151 1 5 . 1 1 58 58 ARG N N 58 123.367 123.367 120.254 3.113 25509 3152 1 5 . 1 1 58 58 ARG HA H 58 3.764 3.764 3.980 -0.216 25509 3153 1 5 . 1 1 58 58 ARG C C 58 179.588 179.588 178.072 1.516 25509 3154 1 5 . 1 1 58 58 ARG CA C 58 58.505 58.505 59.576 -1.071 25509 3155 1 5 . 1 1 58 58 ARG H H 58 7.658 7.658 7.839 -0.181 25509 3156 1 5 . 1 1 59 59 PHE N N 59 121.256 121.256 119.451 1.805 25509 3157 1 5 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.253 -0.695 25509 3158 1 5 . 1 1 59 59 PHE C C 59 175.915 175.915 175.827 0.088 25509 3159 1 5 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.540 1.815 25509 3160 1 5 . 1 1 59 59 PHE H H 59 8.925 8.925 7.637 1.288 25509 3161 1 5 . 1 1 60 60 LEU N N 60 118.280 118.280 118.975 -0.695 25509 3162 1 5 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.270 0.202 25509 3163 1 5 . 1 1 60 60 LEU C C 60 179.572 179.572 178.543 1.029 25509 3164 1 5 . 1 1 60 60 LEU CA C 60 57.365 57.365 56.906 0.459 25509 3165 1 5 . 1 1 60 60 LEU H H 60 7.587 7.587 7.087 0.500 25509 3166 1 5 . 1 1 61 61 SER N N 61 115.099 115.099 115.178 -0.079 25509 3167 1 5 . 1 1 61 61 SER HA H 61 4.053 4.053 4.060 -0.007 25509 3168 1 5 . 1 1 61 61 SER C C 61 176.822 176.822 176.510 0.312 25509 3169 1 5 . 1 1 61 61 SER CA C 61 60.923 60.923 62.042 -1.119 25509 3170 1 5 . 1 1 61 61 SER H H 61 7.479 7.479 8.296 -0.817 25509 3171 1 5 . 1 1 62 62 LEU N N 62 123.881 123.881 118.378 5.503 25509 3172 1 5 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.984 -0.590 25509 3173 1 5 . 1 1 62 62 LEU C C 62 177.319 177.319 177.283 0.036 25509 3174 1 5 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.399 -0.522 25509 3175 1 5 . 1 1 62 62 LEU H H 62 7.302 7.302 7.251 0.051 25509 3176 1 5 . 1 1 63 63 VAL N N 63 115.745 115.745 118.683 -2.938 25509 3177 1 5 . 1 1 63 63 VAL HA H 63 2.679 2.679 2.995 -0.316 25509 3178 1 5 . 1 1 63 63 VAL C C 63 178.913 178.913 177.916 0.997 25509 3179 1 5 . 1 1 63 63 VAL CA C 63 64.567 64.567 66.034 -1.466 25509 3180 1 5 . 1 1 63 63 VAL H H 63 7.039 7.039 7.262 -0.223 25509 3181 1 5 . 1 1 64 64 SER N N 64 114.324 114.324 114.398 -0.074 25509 3182 1 5 . 1 1 64 64 SER C C 64 176.376 176.376 175.165 1.211 25509 3183 1 5 . 1 1 64 64 SER CA C 64 60.925 60.925 60.863 0.062 25509 3184 1 5 . 1 1 64 64 SER H H 64 7.205 7.205 7.441 -0.236 25509 3185 1 5 . 1 1 65 65 LYS N N 65 121.823 121.823 118.980 2.843 25509 3186 1 5 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.213 -0.138 25509 3187 1 5 . 1 1 65 65 LYS C C 65 178.346 178.346 177.025 1.321 25509 3188 1 5 . 1 1 65 65 LYS CA C 65 57.294 57.294 57.730 -0.436 25509 3189 1 5 . 1 1 65 65 LYS H H 65 7.294 7.294 7.665 -0.371 25509 3190 1 5 . 1 1 66 66 TRP N N 66 120.291 120.291 120.198 0.093 25509 3191 1 5 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.475 -0.001 25509 3192 1 5 . 1 1 66 66 TRP CA C 66 56.009 56.009 58.198 -2.189 25509 3193 1 5 . 1 1 66 66 TRP H H 66 7.834 7.834 7.851 -0.017 25509 3194 1 5 . 1 1 69 69 HIS C C 69 176.475 176.475 174.162 2.313 25509 3195 1 5 . 1 1 69 69 HIS CA C 69 56.029 56.029 56.444 -0.415 25509 3196 1 5 . 1 1 70 70 ARG N N 70 121.733 121.733 120.060 1.673 25509 3197 1 5 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.324 -0.827 25509 3198 1 5 . 1 1 70 70 ARG C C 70 175.806 175.806 175.709 0.097 25509 3199 1 5 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.708 0.634 25509 3200 1 5 . 1 1 70 70 ARG H H 70 8.527 8.527 8.136 0.391 25509 3201 1 5 . 1 1 71 71 ASP N N 71 116.800 116.800 123.466 -6.666 25509 3202 1 5 . 1 1 71 71 ASP C C 71 175.213 175.213 176.033 -0.820 25509 3203 1 5 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.628 -2.601 25509 3204 1 5 . 1 1 71 71 ASP H H 71 8.599 8.599 8.846 -0.247 25509 3205 1 5 . 1 1 72 72 GLN N N 72 119.761 119.761 119.352 0.409 25509 3206 1 5 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.483 0.039 25509 3207 1 5 . 1 1 72 72 GLN C C 72 172.972 172.972 174.961 -1.989 25509 3208 1 5 . 1 1 72 72 GLN CA C 72 53.807 53.807 55.629 -1.822 25509 3209 1 5 . 1 1 72 72 GLN H H 72 7.629 7.629 8.173 -0.544 25509 3210 1 5 . 1 1 73 73 GLU N N 73 117.994 117.994 118.234 -0.240 25509 3211 1 5 . 1 1 73 73 GLU C C 73 176.011 176.011 175.215 0.796 25509 3212 1 5 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.720 -0.824 25509 3213 1 5 . 1 1 73 73 GLU H H 73 7.984 7.984 8.470 -0.486 25509 3214 1 5 . 1 1 74 74 TYR N N 74 120.098 120.098 119.614 0.484 25509 3215 1 5 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.892 0.231 25509 3216 1 5 . 1 1 74 74 TYR C C 74 174.675 174.675 173.659 1.016 25509 3217 1 5 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.504 -0.762 25509 3218 1 5 . 1 1 74 74 TYR H H 74 8.860 8.860 8.460 0.400 25509 3219 1 5 . 1 1 75 75 GLU N N 75 123.539 123.539 123.510 0.029 25509 3220 1 5 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.178 -0.285 25509 3221 1 5 . 1 1 75 75 GLU C C 75 175.614 175.614 174.821 0.793 25509 3222 1 5 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.209 0.362 25509 3223 1 5 . 1 1 75 75 GLU H H 75 9.321 9.321 8.632 0.689 25509 3224 1 5 . 1 1 76 76 VAL N N 76 128.647 128.647 126.803 1.844 25509 3225 1 5 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.411 -0.225 25509 3226 1 5 . 1 1 76 76 VAL C C 76 175.004 175.004 175.364 -0.360 25509 3227 1 5 . 1 1 76 76 VAL CA C 76 60.376 60.376 59.961 0.415 25509 3228 1 5 . 1 1 76 76 VAL H H 76 9.399 9.399 9.001 0.398 25509 3229 1 5 . 1 1 77 77 THR N N 77 126.297 126.297 123.293 3.004 25509 3230 1 5 . 1 1 77 77 THR HA H 77 5.223 5.223 4.708 0.515 25509 3231 1 5 . 1 1 77 77 THR C C 77 173.353 173.353 173.262 0.091 25509 3232 1 5 . 1 1 77 77 THR CA C 77 61.442 61.442 62.523 -1.081 25509 3233 1 5 . 1 1 77 77 THR H H 77 9.597 9.597 8.852 0.745 25509 3234 1 5 . 1 1 78 78 TRP N N 78 125.914 125.914 128.446 -2.532 25509 3235 1 5 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.893 0.777 25509 3236 1 5 . 1 1 78 78 TRP C C 78 174.723 174.723 174.339 0.384 25509 3237 1 5 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.474 -7.269 25509 3238 1 5 . 1 1 78 78 TRP H H 78 9.173 9.173 9.309 -0.136 25509 3239 1 5 . 1 1 79 79 TYR N N 79 120.962 120.962 124.852 -3.890 25509 3240 1 5 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.775 0.542 25509 3241 1 5 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.079 -1.380 25509 3242 1 5 . 1 1 79 79 TYR H H 79 9.322 9.322 9.407 -0.085 25509 3243 1 5 . 1 1 80 80 ILE N N 80 125.201 125.201 122.879 2.322 25509 3244 1 5 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.296 1.633 25509 3245 1 5 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.190 -16.354 25509 3246 1 5 . 1 1 80 80 ILE H H 80 9.634 9.634 8.047 1.587 25509 3247 1 5 . 1 1 86 86 THR HA H 86 3.629 3.629 3.945 -0.316 25509 3248 1 5 . 1 1 86 86 THR C C 86 175.273 175.273 176.180 -0.907 25509 3249 1 5 . 1 1 86 86 THR CA C 86 60.845 60.845 66.013 -5.168 25509 3250 1 5 . 1 1 87 87 LYS N N 87 121.904 121.904 120.744 1.160 25509 3251 1 5 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.254 -0.311 25509 3252 1 5 . 1 1 87 87 LYS C C 87 178.969 178.969 178.479 0.490 25509 3253 1 5 . 1 1 87 87 LYS CA C 87 59.326 59.326 58.601 0.725 25509 3254 1 5 . 1 1 87 87 LYS H H 87 7.728 7.728 8.439 -0.711 25509 3255 1 5 . 1 1 88 88 CYS N N 88 121.877 121.877 119.050 2.827 25509 3256 1 5 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.362 -0.428 25509 3257 1 5 . 1 1 88 88 CYS C C 88 178.168 178.168 176.707 1.461 25509 3258 1 5 . 1 1 88 88 CYS CA C 88 65.201 65.201 62.224 2.977 25509 3259 1 5 . 1 1 88 88 CYS H H 88 8.717 8.717 8.193 0.524 25509 3260 1 5 . 1 1 89 89 ALA N N 89 120.872 120.872 122.841 -1.969 25509 3261 1 5 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.184 -0.295 25509 3262 1 5 . 1 1 89 89 ALA C C 89 179.782 179.782 179.191 0.591 25509 3263 1 5 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.070 0.230 25509 3264 1 5 . 1 1 89 89 ALA H H 89 9.009 9.009 7.913 1.096 25509 3265 1 5 . 1 1 90 90 ARG N N 90 117.797 117.797 117.019 0.778 25509 3266 1 5 . 1 1 90 90 ARG HA H 90 3.985 3.985 3.981 0.004 25509 3267 1 5 . 1 1 90 90 ARG C C 90 179.333 179.333 178.289 1.044 25509 3268 1 5 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.121 0.232 25509 3269 1 5 . 1 1 90 90 ARG H H 90 7.912 7.912 7.488 0.424 25509 3270 1 5 . 1 1 91 91 ASP N N 91 121.892 121.892 120.453 1.439 25509 3271 1 5 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.470 0.005 25509 3272 1 5 . 1 1 91 91 ASP C C 91 180.593 180.593 178.100 2.493 25509 3273 1 5 . 1 1 91 91 ASP CA C 91 57.329 57.329 56.981 0.348 25509 3274 1 5 . 1 1 91 91 ASP H H 91 8.413 8.413 8.243 0.170 25509 3275 1 5 . 1 1 92 92 MET N N 92 121.165 121.165 118.897 2.268 25509 3276 1 5 . 1 1 92 92 MET HA H 92 4.453 4.453 4.462 -0.009 25509 3277 1 5 . 1 1 92 92 MET C C 92 177.594 177.594 177.922 -0.328 25509 3278 1 5 . 1 1 92 92 MET CA C 92 56.255 56.255 59.453 -3.198 25509 3279 1 5 . 1 1 92 92 MET H H 92 8.986 8.986 7.849 1.137 25509 3280 1 5 . 1 1 93 93 ALA N N 93 124.315 124.315 119.806 4.509 25509 3281 1 5 . 1 1 93 93 ALA HA H 93 3.818 3.818 4.059 -0.241 25509 3282 1 5 . 1 1 93 93 ALA C C 93 179.351 179.351 179.676 -0.325 25509 3283 1 5 . 1 1 93 93 ALA CA C 93 55.459 55.459 54.805 0.654 25509 3284 1 5 . 1 1 93 93 ALA H H 93 8.090 8.090 7.850 0.240 25509 3285 1 5 . 1 1 94 94 THR N N 94 115.375 115.375 116.356 -0.981 25509 3286 1 5 . 1 1 94 94 THR HA H 94 3.854 3.854 4.252 -0.398 25509 3287 1 5 . 1 1 94 94 THR C C 94 175.971 175.971 176.143 -0.172 25509 3288 1 5 . 1 1 94 94 THR CA C 94 66.140 66.140 67.032 -0.892 25509 3289 1 5 . 1 1 94 94 THR H H 94 7.908 7.908 7.562 0.346 25509 3290 1 5 . 1 1 95 95 PHE N N 95 121.559 121.559 122.859 -1.300 25509 3291 1 5 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.626 -0.437 25509 3292 1 5 . 1 1 95 95 PHE C C 95 178.456 178.456 176.536 1.920 25509 3293 1 5 . 1 1 95 95 PHE CA C 95 61.307 61.307 60.352 0.955 25509 3294 1 5 . 1 1 95 95 PHE H H 95 7.845 7.845 8.142 -0.297 25509 3295 1 5 . 1 1 96 96 LEU N N 96 120.614 120.614 120.341 0.273 25509 3296 1 5 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.584 0.167 25509 3297 1 5 . 1 1 96 96 LEU C C 96 179.846 179.846 178.449 1.397 25509 3298 1 5 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.576 -0.455 25509 3299 1 5 . 1 1 96 96 LEU H H 96 8.493 8.493 8.459 0.034 25509 3300 1 5 . 1 1 97 97 GLN N N 97 118.135 118.135 117.853 0.282 25509 3301 1 5 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.068 0.004 25509 3302 1 5 . 1 1 97 97 GLN C C 97 177.940 177.940 177.401 0.539 25509 3303 1 5 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.076 -0.087 25509 3304 1 5 . 1 1 97 97 GLN H H 97 7.971 7.971 8.427 -0.456 25509 3305 1 5 . 1 1 98 98 GLU N N 98 115.676 115.676 118.125 -2.449 25509 3306 1 5 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.091 0.131 25509 3307 1 5 . 1 1 98 98 GLU C C 98 176.364 176.364 177.621 -1.257 25509 3308 1 5 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.082 -0.617 25509 3309 1 5 . 1 1 98 98 GLU H H 98 7.473 7.473 7.627 -0.154 25509 3310 1 5 . 1 1 99 99 ASN N N 99 121.312 121.312 116.467 4.845 25509 3311 1 5 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.629 0.357 25509 3312 1 5 . 1 1 99 99 ASN C C 99 174.155 174.155 176.500 -2.345 25509 3313 1 5 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.384 -2.426 25509 3314 1 5 . 1 1 99 99 ASN H H 99 7.520 7.520 7.532 -0.012 25509 3315 1 5 . 1 1 100 100 THR N N 100 111.032 111.032 112.643 -1.611 25509 3316 1 5 . 1 1 100 100 THR HA H 100 4.438 4.438 3.759 0.679 25509 3317 1 5 . 1 1 100 100 THR C C 100 174.600 174.600 174.828 -0.228 25509 3318 1 5 . 1 1 100 100 THR CA C 100 63.613 63.613 65.622 -2.009 25509 3319 1 5 . 1 1 100 100 THR H H 100 7.985 7.985 8.196 -0.211 25509 3320 1 5 . 1 1 101 101 HIS C C 101 173.419 173.419 174.358 -0.939 25509 3321 1 5 . 1 1 101 101 HIS CA C 101 56.546 56.546 56.539 0.007 25509 3322 1 5 . 1 1 102 102 VAL N N 102 123.373 123.373 119.688 3.685 25509 3323 1 5 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.135 -0.492 25509 3324 1 5 . 1 1 102 102 VAL C C 102 174.248 174.248 175.149 -0.901 25509 3325 1 5 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.417 1.598 25509 3326 1 5 . 1 1 102 102 VAL H H 102 7.561 7.561 7.131 0.430 25509 3327 1 5 . 1 1 103 103 THR N N 103 119.261 119.261 119.695 -0.434 25509 3328 1 5 . 1 1 103 103 THR HA H 103 4.702 4.702 4.841 -0.139 25509 3329 1 5 . 1 1 103 103 THR C C 103 173.198 173.198 173.681 -0.483 25509 3330 1 5 . 1 1 103 103 THR CA C 103 59.956 59.956 60.177 -0.221 25509 3331 1 5 . 1 1 103 103 THR H H 103 8.370 8.370 8.727 -0.357 25509 3332 1 5 . 1 1 104 104 LEU N N 104 128.085 128.085 124.950 3.135 25509 3333 1 5 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.920 0.203 25509 3334 1 5 . 1 1 104 104 LEU C C 104 175.009 175.009 175.662 -0.653 25509 3335 1 5 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.788 -0.557 25509 3336 1 5 . 1 1 104 104 LEU H H 104 9.373 9.373 8.148 1.225 25509 3337 1 5 . 1 1 105 105 THR N N 105 126.064 126.064 120.484 5.580 25509 3338 1 5 . 1 1 105 105 THR HA H 105 4.560 4.560 4.872 -0.312 25509 3339 1 5 . 1 1 105 105 THR C C 105 171.873 171.873 174.449 -2.576 25509 3340 1 5 . 1 1 105 105 THR CA C 105 61.546 61.546 61.501 0.045 25509 3341 1 5 . 1 1 105 105 THR H H 105 8.561 8.561 9.100 -0.539 25509 3342 1 5 . 1 1 106 106 ILE N N 106 125.679 125.679 125.369 0.310 25509 3343 1 5 . 1 1 106 106 ILE HA H 106 4.207 4.207 5.109 -0.902 25509 3344 1 5 . 1 1 106 106 ILE C C 106 172.536 172.536 174.936 -2.400 25509 3345 1 5 . 1 1 106 106 ILE CA C 106 59.887 59.887 61.985 -2.098 25509 3346 1 5 . 1 1 106 106 ILE H H 106 9.190 9.190 8.507 0.683 25509 3347 1 5 . 1 1 107 107 PHE N N 107 126.337 126.337 122.885 3.452 25509 3348 1 5 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.513 -0.257 25509 3349 1 5 . 1 1 107 107 PHE C C 107 175.694 175.694 175.380 0.314 25509 3350 1 5 . 1 1 107 107 PHE CA C 107 56.342 56.342 56.415 -0.073 25509 3351 1 5 . 1 1 107 107 PHE H H 107 9.135 9.135 8.745 0.390 25509 3352 1 5 . 1 1 108 108 VAL N N 108 118.789 118.789 120.909 -2.120 25509 3353 1 5 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.410 0.610 25509 3354 1 5 . 1 1 108 108 VAL C C 108 176.539 176.539 174.471 2.068 25509 3355 1 5 . 1 1 108 108 VAL CA C 108 58.498 58.498 61.017 -2.519 25509 3356 1 5 . 1 1 108 108 VAL H H 108 8.936 8.936 8.315 0.621 25509 3357 1 5 . 1 1 109 109 ALA N N 109 129.108 129.108 128.218 0.890 25509 3358 1 5 . 1 1 109 109 ALA HA H 109 4.524 4.524 5.052 -0.528 25509 3359 1 5 . 1 1 109 109 ALA C C 109 175.933 175.933 178.097 -2.164 25509 3360 1 5 . 1 1 109 109 ALA CA C 109 55.038 55.038 51.817 3.221 25509 3361 1 5 . 1 1 109 109 ALA H H 109 8.509 8.509 8.310 0.199 25509 3362 1 5 . 1 1 110 110 ARG N N 110 110.165 110.165 120.140 -9.975 25509 3363 1 5 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.055 0.450 25509 3364 1 5 . 1 1 110 110 ARG C C 110 175.120 175.120 176.602 -1.482 25509 3365 1 5 . 1 1 110 110 ARG CA C 110 54.555 54.555 58.421 -3.866 25509 3366 1 5 . 1 1 110 110 ARG H H 110 6.677 6.677 7.880 -1.203 25509 3367 1 5 . 1 1 111 111 LEU N N 111 119.767 119.767 118.579 1.188 25509 3368 1 5 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.237 0.278 25509 3369 1 5 . 1 1 111 111 LEU CA C 111 53.198 53.198 55.036 -1.838 25509 3370 1 5 . 1 1 111 111 LEU H H 111 7.031 7.031 7.910 -0.879 25509 3371 1 5 . 1 1 117 117 PRO C C 117 178.666 178.666 175.391 3.275 25509 3372 1 5 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.382 1.615 25509 3373 1 5 . 1 1 118 118 ASP N N 118 118.659 118.659 120.269 -1.610 25509 3374 1 5 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.875 -0.441 25509 3375 1 5 . 1 1 118 118 ASP C C 118 178.263 178.263 176.678 1.585 25509 3376 1 5 . 1 1 118 118 ASP CA C 118 56.740 56.740 55.270 1.470 25509 3377 1 5 . 1 1 118 118 ASP H H 118 8.215 8.215 8.351 -0.136 25509 3378 1 5 . 1 1 119 119 TYR N N 119 122.818 122.818 121.499 1.319 25509 3379 1 5 . 1 1 119 119 TYR HA H 119 4.204 4.204 3.987 0.217 25509 3380 1 5 . 1 1 119 119 TYR C C 119 177.538 177.538 177.264 0.274 25509 3381 1 5 . 1 1 119 119 TYR CA C 119 60.942 60.942 62.341 -1.399 25509 3382 1 5 . 1 1 119 119 TYR H H 119 7.994 7.994 7.490 0.504 25509 3383 1 5 . 1 1 120 120 GLN N N 120 117.143 117.143 117.753 -0.610 25509 3384 1 5 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.934 -0.426 25509 3385 1 5 . 1 1 120 120 GLN C C 120 177.702 177.702 178.060 -0.358 25509 3386 1 5 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.588 -0.602 25509 3387 1 5 . 1 1 120 120 GLN H H 120 7.898 7.898 8.844 -0.946 25509 3388 1 5 . 1 1 121 121 GLU N N 121 117.707 117.707 118.331 -0.624 25509 3389 1 5 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.024 -0.133 25509 3390 1 5 . 1 1 121 121 GLU C C 121 178.815 178.815 178.347 0.468 25509 3391 1 5 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.970 -0.367 25509 3392 1 5 . 1 1 121 121 GLU H H 121 7.829 7.829 8.623 -0.794 25509 3393 1 5 . 1 1 122 122 ALA N N 122 123.710 123.710 122.313 1.397 25509 3394 1 5 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.079 -0.179 25509 3395 1 5 . 1 1 122 122 ALA C C 122 180.296 180.296 179.657 0.639 25509 3396 1 5 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.700 0.249 25509 3397 1 5 . 1 1 122 122 ALA H H 122 7.881 7.881 8.109 -0.228 25509 3398 1 5 . 1 1 123 123 LEU N N 123 119.307 119.307 118.726 0.581 25509 3399 1 5 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.973 -0.182 25509 3400 1 5 . 1 1 123 123 LEU C C 123 179.075 179.075 179.006 0.069 25509 3401 1 5 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.611 -0.074 25509 3402 1 5 . 1 1 123 123 LEU H H 123 8.073 8.073 7.942 0.131 25509 3403 1 5 . 1 1 124 124 ARG N N 124 118.146 118.146 118.810 -0.664 25509 3404 1 5 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.994 -0.162 25509 3405 1 5 . 1 1 124 124 ARG C C 124 179.745 179.745 178.863 0.882 25509 3406 1 5 . 1 1 124 124 ARG CA C 124 60.155 60.155 58.613 1.542 25509 3407 1 5 . 1 1 124 124 ARG H H 124 8.074 8.074 7.791 0.283 25509 3408 1 5 . 1 1 125 125 SER N N 125 117.399 117.399 115.409 1.990 25509 3409 1 5 . 1 1 125 125 SER HA H 125 4.151 4.151 4.284 -0.133 25509 3410 1 5 . 1 1 125 125 SER C C 125 176.389 176.389 176.713 -0.324 25509 3411 1 5 . 1 1 125 125 SER CA C 125 54.752 54.752 61.369 -6.617 25509 3412 1 5 . 1 1 125 125 SER H H 125 8.471 8.471 7.587 0.884 25509 3413 1 5 . 1 1 126 126 LEU N N 126 125.924 125.924 122.288 3.636 25509 3414 1 5 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.129 -0.159 25509 3415 1 5 . 1 1 126 126 LEU C C 126 177.721 177.721 178.090 -0.369 25509 3416 1 5 . 1 1 126 126 LEU CA C 126 57.423 57.423 57.619 -0.196 25509 3417 1 5 . 1 1 126 126 LEU H H 126 7.621 7.621 7.874 -0.253 25509 3418 1 5 . 1 1 127 127 ALA N N 127 122.932 122.932 120.438 2.494 25509 3419 1 5 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.134 0.542 25509 3420 1 5 . 1 1 127 127 ALA C C 127 182.614 182.614 179.840 2.774 25509 3421 1 5 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.472 -0.498 25509 3422 1 5 . 1 1 127 127 ALA H H 127 7.973 7.973 8.288 -0.315 25509 3423 1 5 . 1 1 128 128 GLN N N 128 120.408 120.408 119.070 1.338 25509 3424 1 5 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.055 -0.026 25509 3425 1 5 . 1 1 128 128 GLN C C 128 177.613 177.613 177.261 0.352 25509 3426 1 5 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.024 0.027 25509 3427 1 5 . 1 1 128 128 GLN H H 128 8.690 8.690 7.952 0.738 25509 3428 1 5 . 1 1 129 129 ALA N N 129 120.391 120.391 120.156 0.235 25509 3429 1 5 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.192 0.091 25509 3430 1 5 . 1 1 129 129 ALA C C 129 177.019 177.019 177.395 -0.376 25509 3431 1 5 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.865 -0.694 25509 3432 1 5 . 1 1 129 129 ALA H H 129 7.542 7.542 7.441 0.101 25509 3433 1 5 . 1 1 130 130 GLY N N 130 104.533 104.533 102.408 2.125 25509 3434 1 5 . 1 1 130 130 GLY C C 130 175.291 175.291 172.523 2.768 25509 3435 1 5 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.443 -0.168 25509 3436 1 5 . 1 1 130 130 GLY H H 130 7.760 7.760 7.502 0.258 25509 3437 1 5 . 1 1 131 131 ALA N N 131 124.759 124.759 122.355 2.404 25509 3438 1 5 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.560 -0.973 25509 3439 1 5 . 1 1 131 131 ALA C C 131 177.045 177.045 175.783 1.262 25509 3440 1 5 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.243 1.371 25509 3441 1 5 . 1 1 131 131 ALA H H 131 7.543 7.543 7.605 -0.062 25509 3442 1 5 . 1 1 132 132 THR N N 132 120.565 120.565 116.150 4.415 25509 3443 1 5 . 1 1 132 132 THR HA H 132 4.293 4.293 4.608 -0.315 25509 3444 1 5 . 1 1 132 132 THR C C 132 172.940 172.940 172.778 0.162 25509 3445 1 5 . 1 1 132 132 THR CA C 132 62.285 62.285 61.707 0.578 25509 3446 1 5 . 1 1 132 132 THR H H 132 7.983 7.983 8.869 -0.886 25509 3447 1 5 . 1 1 133 133 ILE N N 133 128.874 128.874 126.861 2.013 25509 3448 1 5 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.707 -0.002 25509 3449 1 5 . 1 1 133 133 ILE C C 133 173.707 173.707 174.865 -1.158 25509 3450 1 5 . 1 1 133 133 ILE CA C 133 59.898 59.898 59.970 -0.072 25509 3451 1 5 . 1 1 133 133 ILE H H 133 8.641 8.641 8.480 0.161 25509 3452 1 5 . 1 1 134 134 LYS N N 134 125.904 125.904 125.445 0.459 25509 3453 1 5 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.658 -0.168 25509 3454 1 5 . 1 1 134 134 LYS C C 134 174.736 174.736 175.213 -0.477 25509 3455 1 5 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.812 0.094 25509 3456 1 5 . 1 1 134 134 LYS H H 134 8.878 8.878 7.841 1.037 25509 3457 1 5 . 1 1 135 135 ILE N N 135 121.444 121.444 122.258 -0.814 25509 3458 1 5 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.231 0.413 25509 3459 1 5 . 1 1 135 135 ILE C C 135 177.563 177.563 177.454 0.109 25509 3460 1 5 . 1 1 135 135 ILE CA C 135 56.834 56.834 61.341 -4.507 25509 3461 1 5 . 1 1 135 135 ILE H H 135 8.601 8.601 8.571 0.030 25509 3462 1 5 . 1 1 136 136 MET N N 136 124.557 124.557 121.433 3.124 25509 3463 1 5 . 1 1 136 136 MET HA H 136 3.741 3.741 4.561 -0.820 25509 3464 1 5 . 1 1 136 136 MET C C 136 174.070 174.070 174.742 -0.672 25509 3465 1 5 . 1 1 136 136 MET CA C 136 58.298 58.298 56.733 1.565 25509 3466 1 5 . 1 1 136 136 MET H H 136 8.550 8.550 8.401 0.149 25509 3467 1 5 . 1 1 137 137 ASN N N 137 126.678 126.678 122.628 4.050 25509 3468 1 5 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.085 -0.077 25509 3469 1 5 . 1 1 137 137 ASN C C 137 174.733 174.733 176.246 -1.513 25509 3470 1 5 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.174 -1.280 25509 3471 1 5 . 1 1 137 137 ASN H H 137 9.480 9.480 8.225 1.255 25509 3472 1 5 . 1 1 138 138 TYR N N 138 123.587 123.587 122.963 0.624 25509 3473 1 5 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.526 -0.685 25509 3474 1 5 . 1 1 138 138 TYR C C 138 176.154 176.154 176.914 -0.760 25509 3475 1 5 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.480 1.331 25509 3476 1 5 . 1 1 138 138 TYR H H 138 9.914 9.914 8.802 1.112 25509 3477 1 5 . 1 1 139 139 ASP N N 139 116.024 116.024 117.440 -1.416 25509 3478 1 5 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.079 0.037 25509 3479 1 5 . 1 1 139 139 ASP C C 139 179.067 179.067 177.592 1.475 25509 3480 1 5 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.782 -0.291 25509 3481 1 5 . 1 1 139 139 ASP H H 139 8.976 8.976 8.890 0.086 25509 3482 1 5 . 1 1 140 140 GLU N N 140 118.087 118.087 120.226 -2.139 25509 3483 1 5 . 1 1 140 140 GLU HA H 140 3.826 3.826 4.005 -0.179 25509 3484 1 5 . 1 1 140 140 GLU C C 140 178.692 178.692 178.086 0.606 25509 3485 1 5 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.416 2.184 25509 3486 1 5 . 1 1 140 140 GLU H H 140 7.540 7.540 8.001 -0.461 25509 3487 1 5 . 1 1 141 141 PHE N N 141 119.608 119.608 119.731 -0.123 25509 3488 1 5 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.327 -0.539 25509 3489 1 5 . 1 1 141 141 PHE C C 141 176.881 176.881 178.109 -1.228 25509 3490 1 5 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.277 1.426 25509 3491 1 5 . 1 1 141 141 PHE H H 141 8.032 8.032 7.512 0.520 25509 3492 1 5 . 1 1 142 142 GLN N N 142 118.759 118.759 120.190 -1.431 25509 3493 1 5 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.107 -0.086 25509 3494 1 5 . 1 1 142 142 GLN C C 142 177.945 177.945 177.853 0.092 25509 3495 1 5 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.168 -0.389 25509 3496 1 5 . 1 1 142 142 GLN H H 142 8.223 8.223 8.438 -0.215 25509 3497 1 5 . 1 1 143 143 HIS N N 143 120.774 120.774 118.940 1.834 25509 3498 1 5 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.479 -0.501 25509 3499 1 5 . 1 1 143 143 HIS C C 143 177.147 177.147 177.366 -0.219 25509 3500 1 5 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.861 -0.494 25509 3501 1 5 . 1 1 143 143 HIS H H 143 7.924 7.924 7.757 0.167 25509 3502 1 5 . 1 1 144 144 CYS N N 144 117.600 117.600 121.085 -3.485 25509 3503 1 5 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.461 -0.623 25509 3504 1 5 . 1 1 144 144 CYS C C 144 176.233 176.233 176.668 -0.435 25509 3505 1 5 . 1 1 144 144 CYS CA C 144 62.852 62.852 62.887 -0.035 25509 3506 1 5 . 1 1 144 144 CYS H H 144 7.892 7.892 8.401 -0.509 25509 3507 1 5 . 1 1 145 145 TRP N N 145 120.806 120.806 121.076 -0.270 25509 3508 1 5 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.648 -0.379 25509 3509 1 5 . 1 1 145 145 TRP C C 145 177.085 177.085 177.677 -0.592 25509 3510 1 5 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.718 -1.265 25509 3511 1 5 . 1 1 145 145 TRP H H 145 8.201 8.201 8.928 -0.727 25509 3512 1 5 . 1 1 146 146 SER N N 146 111.555 111.555 114.355 -2.800 25509 3513 1 5 . 1 1 146 146 SER C C 146 176.199 176.199 176.036 0.163 25509 3514 1 5 . 1 1 146 146 SER CA C 146 60.827 60.827 60.934 -0.107 25509 3515 1 5 . 1 1 146 146 SER H H 146 8.032 8.032 7.411 0.621 25509 3516 1 5 . 1 1 147 147 LYS N N 147 115.563 115.563 120.399 -4.836 25509 3517 1 5 . 1 1 147 147 LYS HA H 147 3.974 3.974 3.971 0.003 25509 3518 1 5 . 1 1 147 147 LYS C C 147 177.448 177.448 178.173 -0.725 25509 3519 1 5 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.916 -2.452 25509 3520 1 5 . 1 1 147 147 LYS H H 147 7.684 7.684 8.012 -0.328 25509 3521 1 5 . 1 1 148 148 PHE N N 148 113.648 113.648 116.031 -2.383 25509 3522 1 5 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.286 0.191 25509 3523 1 5 . 1 1 148 148 PHE C C 148 174.293 174.293 175.982 -1.689 25509 3524 1 5 . 1 1 148 148 PHE CA C 148 58.180 58.180 60.079 -1.899 25509 3525 1 5 . 1 1 148 148 PHE H H 148 8.134 8.134 8.169 -0.035 25509 3526 1 5 . 1 1 149 149 VAL N N 149 119.139 119.139 115.910 3.229 25509 3527 1 5 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.666 0.443 25509 3528 1 5 . 1 1 149 149 VAL C C 149 175.690 175.690 174.318 1.372 25509 3529 1 5 . 1 1 149 149 VAL CA C 149 60.309 60.309 61.332 -1.023 25509 3530 1 5 . 1 1 149 149 VAL H H 149 6.787 6.787 7.156 -0.369 25509 3531 1 5 . 1 1 150 150 TYR N N 150 129.042 129.042 122.347 6.695 25509 3532 1 5 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.348 0.216 25509 3533 1 5 . 1 1 150 150 TYR C C 150 173.826 173.826 177.280 -3.454 25509 3534 1 5 . 1 1 150 150 TYR CA C 150 55.580 55.580 59.191 -3.611 25509 3535 1 5 . 1 1 150 150 TYR H H 150 8.552 8.552 7.997 0.555 25509 3536 1 5 . 1 1 151 151 SER N N 151 119.931 119.931 114.395 5.536 25509 3537 1 5 . 1 1 151 151 SER HA H 151 4.585 4.585 4.202 0.383 25509 3538 1 5 . 1 1 151 151 SER C C 151 176.209 176.209 173.917 2.292 25509 3539 1 5 . 1 1 151 151 SER CA C 151 57.497 57.497 58.455 -0.958 25509 3540 1 5 . 1 1 151 151 SER H H 151 7.787 7.787 8.293 -0.506 25509 3541 1 5 . 1 1 152 152 GLN N N 152 120.381 120.381 115.088 5.293 25509 3542 1 5 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.071 -0.356 25509 3543 1 5 . 1 1 152 152 GLN C C 152 175.787 175.787 175.537 0.250 25509 3544 1 5 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.799 -0.323 25509 3545 1 5 . 1 1 152 152 GLN H H 152 8.386 8.386 8.596 -0.210 25509 3546 1 5 . 1 1 153 153 GLY N N 153 106.086 106.086 105.070 1.016 25509 3547 1 5 . 1 1 153 153 GLY C C 153 174.309 174.309 173.999 0.310 25509 3548 1 5 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.138 -0.235 25509 3549 1 5 . 1 1 153 153 GLY H H 153 8.047 8.047 8.019 0.028 25509 3550 1 5 . 1 1 154 154 ALA N N 154 125.790 125.790 123.033 2.757 25509 3551 1 5 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.534 0.048 25509 3552 1 5 . 1 1 154 154 ALA C C 154 176.022 176.022 175.709 0.313 25509 3553 1 5 . 1 1 154 154 ALA CA C 154 49.894 49.894 49.846 0.048 25509 3554 1 5 . 1 1 154 154 ALA H H 154 7.562 7.562 7.668 -0.106 25509 3555 1 5 . 1 1 155 155 PRO C C 155 175.578 175.578 175.847 -0.269 25509 3556 1 5 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.140 -0.479 25509 3557 1 5 . 1 1 156 156 PHE N N 156 121.116 121.116 126.745 -5.629 25509 3558 1 5 . 1 1 156 156 PHE HA H 156 2.346 2.346 3.842 -1.496 25509 3559 1 5 . 1 1 156 156 PHE C C 156 174.254 174.254 174.890 -0.636 25509 3560 1 5 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.472 -1.058 25509 3561 1 5 . 1 1 156 156 PHE H H 156 8.288 8.288 8.235 0.053 25509 3562 1 5 . 1 1 157 157 GLN N N 157 129.600 129.600 125.019 4.581 25509 3563 1 5 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.857 -0.551 25509 3564 1 5 . 1 1 157 157 GLN C C 157 171.628 171.628 173.625 -1.997 25509 3565 1 5 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.385 -1.870 25509 3566 1 5 . 1 1 157 157 GLN H H 157 7.205 7.205 7.964 -0.759 25509 3567 1 5 . 1 1 158 158 PRO C C 158 175.224 175.224 175.544 -0.320 25509 3568 1 5 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.685 -0.962 25509 3569 1 5 . 1 1 159 159 TRP N N 159 117.795 117.795 123.419 -5.624 25509 3570 1 5 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.820 -0.122 25509 3571 1 5 . 1 1 159 159 TRP C C 159 175.906 175.906 176.215 -0.309 25509 3572 1 5 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.560 -2.032 25509 3573 1 5 . 1 1 159 159 TRP H H 159 5.628 5.628 7.366 -1.738 25509 3574 1 5 . 1 1 160 160 ASP N N 160 122.363 122.363 123.206 -0.843 25509 3575 1 5 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.596 -0.273 25509 3576 1 5 . 1 1 160 160 ASP C C 160 177.598 177.598 176.704 0.894 25509 3577 1 5 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.608 0.787 25509 3578 1 5 . 1 1 160 160 ASP H H 160 8.766 8.766 8.486 0.280 25509 3579 1 5 . 1 1 161 161 GLY N N 161 111.982 111.982 107.898 4.084 25509 3580 1 5 . 1 1 161 161 GLY C C 161 173.833 173.833 174.933 -1.100 25509 3581 1 5 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.335 0.047 25509 3582 1 5 . 1 1 161 161 GLY H H 161 8.887 8.887 8.379 0.508 25509 3583 1 5 . 1 1 162 162 LEU N N 162 121.971 121.971 121.173 0.798 25509 3584 1 5 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.230 0.042 25509 3585 1 5 . 1 1 162 162 LEU C C 162 179.345 179.345 177.551 1.794 25509 3586 1 5 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.970 2.584 25509 3587 1 5 . 1 1 162 162 LEU H H 162 7.078 7.078 8.276 -1.198 25509 3588 1 5 . 1 1 163 163 ASP N N 163 118.366 118.366 118.306 0.060 25509 3589 1 5 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.447 0.012 25509 3590 1 5 . 1 1 163 163 ASP C C 163 178.182 178.182 178.262 -0.080 25509 3591 1 5 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.804 -0.696 25509 3592 1 5 . 1 1 163 163 ASP H H 163 8.679 8.679 8.620 0.059 25509 3593 1 5 . 1 1 164 164 GLU N N 164 121.998 121.998 118.399 3.599 25509 3594 1 5 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.258 -0.323 25509 3595 1 5 . 1 1 164 164 GLU C C 164 180.355 180.355 178.911 1.444 25509 3596 1 5 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.367 0.247 25509 3597 1 5 . 1 1 164 164 GLU H H 164 8.374 8.374 8.589 -0.215 25509 3598 1 5 . 1 1 165 165 HIS N N 165 120.268 120.268 118.835 1.433 25509 3599 1 5 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.546 0.056 25509 3600 1 5 . 1 1 165 165 HIS C C 165 178.924 178.924 177.802 1.122 25509 3601 1 5 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.253 0.140 25509 3602 1 5 . 1 1 165 165 HIS H H 165 8.707 8.707 8.475 0.232 25509 3603 1 5 . 1 1 166 166 SER N N 166 118.252 118.252 116.757 1.495 25509 3604 1 5 . 1 1 166 166 SER HA H 166 4.400 4.400 4.492 -0.092 25509 3605 1 5 . 1 1 166 166 SER C C 166 177.421 177.421 176.808 0.613 25509 3606 1 5 . 1 1 166 166 SER CA C 166 63.202 63.202 62.276 0.926 25509 3607 1 5 . 1 1 166 166 SER H H 166 8.649 8.649 8.601 0.048 25509 3608 1 5 . 1 1 167 167 GLN N N 167 121.647 121.647 119.685 1.962 25509 3609 1 5 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.302 -0.126 25509 3610 1 5 . 1 1 167 167 GLN C C 167 179.643 179.643 178.029 1.614 25509 3611 1 5 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.243 0.539 25509 3612 1 5 . 1 1 167 167 GLN H H 167 8.645 8.645 8.229 0.416 25509 3613 1 5 . 1 1 168 168 ALA N N 168 124.242 124.242 123.189 1.053 25509 3614 1 5 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.137 0.112 25509 3615 1 5 . 1 1 168 168 ALA C C 168 181.949 181.949 179.605 2.344 25509 3616 1 5 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.724 0.156 25509 3617 1 5 . 1 1 168 168 ALA H H 168 8.092 8.092 7.676 0.416 25509 3618 1 5 . 1 1 169 169 LEU N N 169 120.509 120.509 118.470 2.039 25509 3619 1 5 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.150 -0.063 25509 3620 1 5 . 1 1 169 169 LEU C C 169 179.159 179.159 179.155 0.004 25509 3621 1 5 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.295 0.308 25509 3622 1 5 . 1 1 169 169 LEU H H 169 8.526 8.526 8.129 0.397 25509 3623 1 5 . 1 1 170 170 SER N N 170 117.410 117.410 115.393 2.017 25509 3624 1 5 . 1 1 170 170 SER HA H 170 4.128 4.128 4.210 -0.082 25509 3625 1 5 . 1 1 170 170 SER C C 170 178.370 178.370 177.100 1.270 25509 3626 1 5 . 1 1 170 170 SER CA C 170 62.240 62.240 62.775 -0.535 25509 3627 1 5 . 1 1 170 170 SER H H 170 8.853 8.853 8.255 0.598 25509 3628 1 5 . 1 1 171 171 GLY N N 171 111.058 111.058 107.969 3.089 25509 3629 1 5 . 1 1 171 171 GLY C C 171 176.376 176.376 175.619 0.757 25509 3630 1 5 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.947 -0.274 25509 3631 1 5 . 1 1 171 171 GLY H H 171 8.175 8.175 8.111 0.064 25509 3632 1 5 . 1 1 172 172 ARG N N 172 123.131 123.131 120.730 2.401 25509 3633 1 5 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.127 0.064 25509 3634 1 5 . 1 1 172 172 ARG C C 172 178.807 178.807 178.411 0.396 25509 3635 1 5 . 1 1 172 172 ARG CA C 172 58.189 58.189 58.419 -0.230 25509 3636 1 5 . 1 1 172 172 ARG H H 172 7.578 7.578 7.395 0.183 25509 3637 1 5 . 1 1 173 173 LEU N N 173 120.594 120.594 120.180 0.414 25509 3638 1 5 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.240 -0.248 25509 3639 1 5 . 1 1 173 173 LEU C C 173 178.396 178.396 178.159 0.237 25509 3640 1 5 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.149 -0.688 25509 3641 1 5 . 1 1 173 173 LEU H H 173 8.813 8.813 7.847 0.966 25509 3642 1 5 . 1 1 174 174 GLY N N 174 105.456 105.456 106.540 -1.084 25509 3643 1 5 . 1 1 174 174 GLY C C 174 176.170 176.170 176.017 0.153 25509 3644 1 5 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.737 -0.096 25509 3645 1 5 . 1 1 174 174 GLY H H 174 8.221 8.221 7.850 0.371 25509 3646 1 5 . 1 1 175 175 GLU N N 175 120.171 120.171 121.555 -1.384 25509 3647 1 5 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.201 -0.121 25509 3648 1 5 . 1 1 175 175 GLU C C 175 179.100 179.100 179.116 -0.016 25509 3649 1 5 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.116 0.334 25509 3650 1 5 . 1 1 175 175 GLU H H 175 7.478 7.478 7.675 -0.197 25509 3651 1 5 . 1 1 176 176 ILE N N 176 119.642 119.642 119.700 -0.058 25509 3652 1 5 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.751 -0.071 25509 3653 1 5 . 1 1 176 176 ILE C C 176 177.560 177.560 177.461 0.099 25509 3654 1 5 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.330 -0.854 25509 3655 1 5 . 1 1 176 176 ILE H H 176 7.755 7.755 7.523 0.232 25509 3656 1 5 . 1 1 177 177 LEU N N 177 116.019 116.019 117.078 -1.059 25509 3657 1 5 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.236 -0.145 25509 3658 1 5 . 1 1 177 177 LEU C C 177 177.520 177.520 177.362 0.158 25509 3659 1 5 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.782 -1.530 25509 3660 1 5 . 1 1 177 177 LEU H H 177 8.067 8.067 7.461 0.606 25509 3661 1 5 . 1 1 178 178 ARG N N 178 118.755 118.755 117.663 1.092 25509 3662 1 5 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.291 -0.152 25509 3663 1 5 . 1 1 178 178 ARG C C 178 175.953 175.953 178.064 -2.111 25509 3664 1 5 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.855 -1.172 25509 3665 1 5 . 1 1 178 178 ARG H H 178 7.566 7.566 7.768 -0.202 25509 3666 1 5 . 1 1 179 179 HIS N N 179 120.648 120.648 118.307 2.341 25509 3667 1 5 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.501 0.111 25509 3668 1 5 . 1 1 179 179 HIS C C 179 174.365 174.365 176.006 -1.641 25509 3669 1 5 . 1 1 179 179 HIS CA C 179 55.781 55.781 58.546 -2.765 25509 3670 1 5 . 1 1 179 179 HIS H H 179 8.140 8.140 8.321 -0.181 25509 3671 1 6 . 1 1 2 2 ASP N N 2 123.241 123.241 119.523 3.718 25509 3672 1 6 . 1 1 2 2 ASP C C 2 174.657 174.657 174.169 0.488 25509 3673 1 6 . 1 1 2 2 ASP CA C 2 52.100 52.100 55.043 -2.943 25509 3674 1 6 . 1 1 2 2 ASP H H 2 8.114 8.114 8.789 -0.675 25509 3675 1 6 . 1 1 3 3 PRO C C 3 178.464 178.464 175.390 3.074 25509 3676 1 6 . 1 1 3 3 PRO CA C 3 66.499 66.499 62.928 3.571 25509 3677 1 6 . 1 1 4 4 ASP N N 4 118.258 118.258 124.057 -5.799 25509 3678 1 6 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.854 -0.406 25509 3679 1 6 . 1 1 4 4 ASP C C 4 178.808 178.808 177.126 1.682 25509 3680 1 6 . 1 1 4 4 ASP CA C 4 57.247 57.247 55.520 1.727 25509 3681 1 6 . 1 1 4 4 ASP H H 4 8.509 8.509 8.256 0.253 25509 3682 1 6 . 1 1 5 5 THR N N 5 119.780 119.780 115.185 4.595 25509 3683 1 6 . 1 1 5 5 THR HA H 5 3.859 3.859 4.295 -0.436 25509 3684 1 6 . 1 1 5 5 THR C C 5 177.699 177.699 175.562 2.137 25509 3685 1 6 . 1 1 5 5 THR CA C 5 66.182 66.182 65.858 0.324 25509 3686 1 6 . 1 1 5 5 THR H H 5 8.150 8.150 8.521 -0.371 25509 3687 1 6 . 1 1 6 6 PHE N N 6 124.329 124.329 121.116 3.213 25509 3688 1 6 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.740 -0.536 25509 3689 1 6 . 1 1 6 6 PHE C C 6 176.665 176.665 176.843 -0.178 25509 3690 1 6 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.653 0.147 25509 3691 1 6 . 1 1 6 6 PHE H H 6 8.297 8.297 8.669 -0.372 25509 3692 1 6 . 1 1 7 7 SER N N 7 116.185 116.185 113.409 2.776 25509 3693 1 6 . 1 1 7 7 SER C C 7 176.138 176.138 175.610 0.528 25509 3694 1 6 . 1 1 7 7 SER CA C 7 61.480 61.480 60.522 0.959 25509 3695 1 6 . 1 1 7 7 SER H H 7 8.752 8.752 8.662 0.090 25509 3696 1 6 . 1 1 8 8 TYR N N 8 118.689 118.689 119.064 -0.375 25509 3697 1 6 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.418 -0.371 25509 3698 1 6 . 1 1 8 8 TYR C C 8 177.077 177.077 176.849 0.228 25509 3699 1 6 . 1 1 8 8 TYR CA C 8 60.282 60.282 61.057 -0.775 25509 3700 1 6 . 1 1 8 8 TYR H H 8 7.967 7.967 7.424 0.543 25509 3701 1 6 . 1 1 9 9 ASN N N 9 113.034 113.034 113.333 -0.299 25509 3702 1 6 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.849 -0.619 25509 3703 1 6 . 1 1 9 9 ASN C C 9 175.101 175.101 174.705 0.396 25509 3704 1 6 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.208 2.879 25509 3705 1 6 . 1 1 9 9 ASN H H 9 7.577 7.577 7.849 -0.272 25509 3706 1 6 . 1 1 10 10 PHE N N 10 117.719 117.719 118.612 -0.893 25509 3707 1 6 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.540 -0.664 25509 3708 1 6 . 1 1 10 10 PHE C C 10 171.880 171.880 174.097 -2.217 25509 3709 1 6 . 1 1 10 10 PHE CA C 10 58.762 58.762 57.374 1.388 25509 3710 1 6 . 1 1 10 10 PHE H H 10 8.655 8.655 7.740 0.915 25509 3711 1 6 . 1 1 11 11 ASN N N 11 114.885 114.885 114.008 0.877 25509 3712 1 6 . 1 1 11 11 ASN C C 11 174.730 174.730 174.611 0.119 25509 3713 1 6 . 1 1 11 11 ASN CA C 11 53.439 53.439 52.271 1.168 25509 3714 1 6 . 1 1 11 11 ASN H H 11 6.097 6.097 7.532 -1.435 25509 3715 1 6 . 1 1 12 12 ASN N N 12 121.039 121.039 117.473 3.566 25509 3716 1 6 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.785 -0.420 25509 3717 1 6 . 1 1 12 12 ASN C C 12 174.578 174.578 174.445 0.133 25509 3718 1 6 . 1 1 12 12 ASN CA C 12 51.417 51.417 53.969 -2.552 25509 3719 1 6 . 1 1 12 12 ASN H H 12 6.688 6.688 8.930 -2.242 25509 3720 1 6 . 1 1 13 13 ARG N N 13 119.646 119.646 119.015 0.631 25509 3721 1 6 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.512 -0.924 25509 3722 1 6 . 1 1 13 13 ARG C C 13 175.049 175.049 173.829 1.220 25509 3723 1 6 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.358 1.972 25509 3724 1 6 . 1 1 13 13 ARG H H 13 7.589 7.589 7.775 -0.186 25509 3725 1 6 . 1 1 14 14 PRO C C 14 176.477 176.477 176.501 -0.024 25509 3726 1 6 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.312 0.868 25509 3727 1 6 . 1 1 15 15 ILE N N 15 120.304 120.304 123.099 -2.795 25509 3728 1 6 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.731 0.552 25509 3729 1 6 . 1 1 15 15 ILE C C 15 175.956 175.956 177.481 -1.525 25509 3730 1 6 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.822 -2.796 25509 3731 1 6 . 1 1 15 15 ILE H H 15 7.827 7.827 8.425 -0.598 25509 3732 1 6 . 1 1 16 16 LEU N N 16 124.585 124.585 117.746 6.839 25509 3733 1 6 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.338 -0.037 25509 3734 1 6 . 1 1 16 16 LEU C C 16 177.213 177.213 176.880 0.333 25509 3735 1 6 . 1 1 16 16 LEU CA C 16 55.089 55.089 54.969 0.120 25509 3736 1 6 . 1 1 16 16 LEU H H 16 8.283 8.283 7.785 0.498 25509 3737 1 6 . 1 1 17 17 SER N N 17 115.176 115.176 112.088 3.088 25509 3738 1 6 . 1 1 17 17 SER C C 17 173.733 173.733 174.248 -0.515 25509 3739 1 6 . 1 1 17 17 SER CA C 17 57.371 57.371 58.439 -1.068 25509 3740 1 6 . 1 1 17 17 SER H H 17 7.782 7.782 7.945 -0.163 25509 3741 1 6 . 1 1 18 18 ARG N N 18 122.072 122.072 123.519 -1.447 25509 3742 1 6 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.324 -0.120 25509 3743 1 6 . 1 1 18 18 ARG C C 18 176.524 176.524 175.665 0.859 25509 3744 1 6 . 1 1 18 18 ARG CA C 18 55.944 55.944 55.944 0.000 25509 3745 1 6 . 1 1 18 18 ARG H H 18 8.318 8.318 8.597 -0.279 25509 3746 1 6 . 1 1 21 21 THR HA H 21 4.574 4.574 4.220 0.354 25509 3747 1 6 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.281 -0.251 25509 3748 1 6 . 1 1 22 22 VAL CA C 22 61.772 61.772 62.037 -0.265 25509 3749 1 6 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.182 -0.103 25509 3750 1 6 . 1 1 24 24 LEU C C 24 174.326 174.326 175.383 -1.057 25509 3751 1 6 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.415 -0.212 25509 3752 1 6 . 1 1 25 25 CYS N N 25 126.908 126.908 122.798 4.110 25509 3753 1 6 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.239 -0.540 25509 3754 1 6 . 1 1 25 25 CYS C C 25 173.285 173.285 174.683 -1.398 25509 3755 1 6 . 1 1 25 25 CYS CA C 25 57.086 57.086 59.897 -2.811 25509 3756 1 6 . 1 1 25 25 CYS H H 25 9.325 9.325 8.694 0.631 25509 3757 1 6 . 1 1 26 26 TYR N N 26 120.745 120.745 124.715 -3.970 25509 3758 1 6 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.982 0.318 25509 3759 1 6 . 1 1 26 26 TYR C C 26 173.449 173.449 174.000 -0.551 25509 3760 1 6 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.713 -0.131 25509 3761 1 6 . 1 1 26 26 TYR H H 26 9.039 9.039 8.916 0.123 25509 3762 1 6 . 1 1 27 27 GLU N N 27 118.222 118.222 117.167 1.055 25509 3763 1 6 . 1 1 27 27 GLU C C 27 175.348 175.348 175.449 -0.101 25509 3764 1 6 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.451 -0.903 25509 3765 1 6 . 1 1 27 27 GLU H H 27 9.358 9.358 8.727 0.631 25509 3766 1 6 . 1 1 28 28 VAL N N 28 124.182 124.182 118.598 5.584 25509 3767 1 6 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.966 -0.052 25509 3768 1 6 . 1 1 28 28 VAL C C 28 174.085 174.085 174.748 -0.663 25509 3769 1 6 . 1 1 28 28 VAL CA C 28 61.231 61.231 61.839 -0.608 25509 3770 1 6 . 1 1 28 28 VAL H H 28 9.479 9.479 9.292 0.187 25509 3771 1 6 . 1 1 29 29 LYS N N 29 127.566 127.566 125.445 2.121 25509 3772 1 6 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.787 0.604 25509 3773 1 6 . 1 1 29 29 LYS C C 29 175.631 175.631 175.300 0.331 25509 3774 1 6 . 1 1 29 29 LYS CA C 29 54.136 54.136 53.221 0.915 25509 3775 1 6 . 1 1 29 29 LYS H H 29 9.151 9.151 8.765 0.386 25509 3776 1 6 . 1 1 30 30 THR N N 30 118.721 118.721 110.786 7.935 25509 3777 1 6 . 1 1 30 30 THR HA H 30 4.617 4.617 4.282 0.335 25509 3778 1 6 . 1 1 30 30 THR C C 30 173.948 173.948 175.446 -1.498 25509 3779 1 6 . 1 1 30 30 THR CA C 30 61.228 61.228 60.211 1.017 25509 3780 1 6 . 1 1 30 30 THR H H 30 8.615 8.615 8.156 0.459 25509 3781 1 6 . 1 1 31 31 LYS N N 31 125.634 125.634 120.524 5.110 25509 3782 1 6 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.097 -0.229 25509 3783 1 6 . 1 1 31 31 LYS C C 31 176.799 176.799 177.666 -0.867 25509 3784 1 6 . 1 1 31 31 LYS CA C 31 56.250 56.250 57.878 -1.628 25509 3785 1 6 . 1 1 31 31 LYS H H 31 8.400 8.400 8.113 0.287 25509 3786 1 6 . 1 1 32 32 GLY N N 32 111.069 111.069 108.785 2.284 25509 3787 1 6 . 1 1 32 32 GLY C C 32 171.007 171.007 173.714 -2.707 25509 3788 1 6 . 1 1 32 32 GLY CA C 32 44.006 44.006 43.004 1.002 25509 3789 1 6 . 1 1 32 32 GLY H H 32 8.170 8.170 8.063 0.107 25509 3790 1 6 . 1 1 33 33 PRO C C 33 176.964 176.964 177.692 -0.728 25509 3791 1 6 . 1 1 33 33 PRO CA C 33 62.675 62.675 63.890 -1.215 25509 3792 1 6 . 1 1 34 34 SER N N 34 117.301 117.301 113.485 3.816 25509 3793 1 6 . 1 1 34 34 SER HA H 34 4.372 4.372 4.521 -0.149 25509 3794 1 6 . 1 1 34 34 SER C C 34 173.728 173.728 174.079 -0.351 25509 3795 1 6 . 1 1 34 34 SER CA C 34 57.933 57.933 56.687 1.246 25509 3796 1 6 . 1 1 34 34 SER H H 34 8.383 8.383 7.808 0.575 25509 3797 1 6 . 1 1 35 35 ARG N N 35 123.829 123.829 121.428 2.401 25509 3798 1 6 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.477 0.095 25509 3799 1 6 . 1 1 35 35 ARG C C 35 173.256 173.256 174.981 -1.725 25509 3800 1 6 . 1 1 35 35 ARG CA C 35 53.217 53.217 54.710 -1.493 25509 3801 1 6 . 1 1 35 35 ARG H H 35 8.153 8.153 8.353 -0.200 25509 3802 1 6 . 1 1 37 37 PRO C C 37 176.060 176.060 177.077 -1.017 25509 3803 1 6 . 1 1 37 37 PRO CA C 37 63.234 63.234 63.955 -0.721 25509 3804 1 6 . 1 1 38 38 LEU N N 38 126.508 126.508 120.312 6.196 25509 3805 1 6 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.274 -0.135 25509 3806 1 6 . 1 1 38 38 LEU C C 38 176.490 176.490 177.976 -1.486 25509 3807 1 6 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.852 0.350 25509 3808 1 6 . 1 1 38 38 LEU H H 38 8.347 8.347 7.431 0.916 25509 3809 1 6 . 1 1 39 39 ASP N N 39 120.060 120.060 119.394 0.666 25509 3810 1 6 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.425 -0.054 25509 3811 1 6 . 1 1 39 39 ASP C C 39 175.525 175.525 176.575 -1.050 25509 3812 1 6 . 1 1 39 39 ASP CA C 39 53.948 53.948 56.692 -2.744 25509 3813 1 6 . 1 1 39 39 ASP H H 39 8.299 8.299 8.547 -0.248 25509 3814 1 6 . 1 1 40 40 ALA N N 40 123.020 123.020 118.490 4.530 25509 3815 1 6 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.248 0.118 25509 3816 1 6 . 1 1 40 40 ALA C C 40 177.243 177.243 175.482 1.761 25509 3817 1 6 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.126 -0.543 25509 3818 1 6 . 1 1 40 40 ALA H H 40 7.972 7.972 7.640 0.332 25509 3819 1 6 . 1 1 41 41 LYS N N 41 120.582 120.582 117.773 2.809 25509 3820 1 6 . 1 1 41 41 LYS HA H 41 4.350 4.350 3.900 0.450 25509 3821 1 6 . 1 1 41 41 LYS C C 41 175.874 175.874 174.182 1.692 25509 3822 1 6 . 1 1 41 41 LYS CA C 41 56.520 56.520 56.754 -0.234 25509 3823 1 6 . 1 1 41 41 LYS H H 41 8.286 8.286 8.181 0.105 25509 3824 1 6 . 1 1 42 42 ILE N N 42 119.815 119.815 116.220 3.595 25509 3825 1 6 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.895 -0.017 25509 3826 1 6 . 1 1 42 42 ILE C C 42 174.828 174.828 175.404 -0.576 25509 3827 1 6 . 1 1 42 42 ILE CA C 42 59.878 59.878 59.509 0.369 25509 3828 1 6 . 1 1 42 42 ILE H H 42 7.830 7.830 7.187 0.643 25509 3829 1 6 . 1 1 43 43 PHE N N 43 126.131 126.131 126.238 -0.107 25509 3830 1 6 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.920 -0.035 25509 3831 1 6 . 1 1 43 43 PHE C C 43 173.801 173.801 174.780 -0.979 25509 3832 1 6 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.643 -0.370 25509 3833 1 6 . 1 1 43 43 PHE H H 43 8.780 8.780 8.715 0.065 25509 3834 1 6 . 1 1 44 44 ARG N N 44 122.879 122.879 120.862 2.017 25509 3835 1 6 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.117 0.389 25509 3836 1 6 . 1 1 44 44 ARG C C 44 175.196 175.196 175.372 -0.176 25509 3837 1 6 . 1 1 44 44 ARG CA C 44 54.267 54.267 55.137 -0.870 25509 3838 1 6 . 1 1 44 44 ARG H H 44 8.368 8.368 8.589 -0.221 25509 3839 1 6 . 1 1 45 45 GLY N N 45 108.917 108.917 108.356 0.561 25509 3840 1 6 . 1 1 45 45 GLY C C 45 169.838 169.838 171.784 -1.946 25509 3841 1 6 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.355 0.486 25509 3842 1 6 . 1 1 45 45 GLY H H 45 7.714 7.714 7.875 -0.161 25509 3843 1 6 . 1 1 46 46 GLN N N 46 113.774 113.774 116.917 -3.143 25509 3844 1 6 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.102 0.505 25509 3845 1 6 . 1 1 46 46 GLN C C 46 174.884 174.884 174.553 0.331 25509 3846 1 6 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.543 -0.637 25509 3847 1 6 . 1 1 46 46 GLN H H 46 8.411 8.411 8.564 -0.153 25509 3848 1 6 . 1 1 47 47 VAL N N 47 120.282 120.282 120.773 -0.491 25509 3849 1 6 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.246 0.129 25509 3850 1 6 . 1 1 47 47 VAL C C 47 172.005 172.005 174.655 -2.650 25509 3851 1 6 . 1 1 47 47 VAL CA C 47 59.977 59.977 62.118 -2.141 25509 3852 1 6 . 1 1 47 47 VAL H H 47 9.499 9.499 8.440 1.059 25509 3853 1 6 . 1 1 49 49 SER C C 49 173.486 173.486 174.541 -1.055 25509 3854 1 6 . 1 1 49 49 SER CA C 49 57.077 57.077 58.653 -1.576 25509 3855 1 6 . 1 1 50 50 GLU N N 50 123.998 123.998 122.628 1.370 25509 3856 1 6 . 1 1 50 50 GLU C C 50 175.276 175.276 175.728 -0.452 25509 3857 1 6 . 1 1 50 50 GLU CA C 50 54.505 54.505 55.823 -1.318 25509 3858 1 6 . 1 1 50 50 GLU H H 50 8.748 8.748 8.681 0.067 25509 3859 1 6 . 1 1 51 51 ASP N N 51 123.737 123.737 122.132 1.605 25509 3860 1 6 . 1 1 51 51 ASP C C 51 176.320 176.320 176.728 -0.408 25509 3861 1 6 . 1 1 51 51 ASP CA C 51 52.910 52.910 54.199 -1.289 25509 3862 1 6 . 1 1 51 51 ASP H H 51 8.479 8.479 8.301 0.178 25509 3863 1 6 . 1 1 52 52 LYS N N 52 114.578 114.578 119.647 -5.069 25509 3864 1 6 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.213 -0.081 25509 3865 1 6 . 1 1 52 52 LYS C C 52 175.538 175.538 177.186 -1.648 25509 3866 1 6 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.802 -0.713 25509 3867 1 6 . 1 1 52 52 LYS H H 52 7.677 7.677 8.392 -0.715 25509 3868 1 6 . 1 1 53 53 TYR N N 53 124.836 124.836 119.001 5.835 25509 3869 1 6 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.529 0.241 25509 3870 1 6 . 1 1 53 53 TYR C C 53 175.498 175.498 176.317 -0.819 25509 3871 1 6 . 1 1 53 53 TYR CA C 53 53.507 53.507 57.440 -3.933 25509 3872 1 6 . 1 1 53 53 TYR H H 53 8.490 8.490 7.890 0.600 25509 3873 1 6 . 1 1 54 54 HIS N N 54 128.974 128.974 123.536 5.438 25509 3874 1 6 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.626 0.130 25509 3875 1 6 . 1 1 54 54 HIS C C 54 174.123 174.123 174.932 -0.809 25509 3876 1 6 . 1 1 54 54 HIS CA C 54 53.734 53.734 54.824 -1.090 25509 3877 1 6 . 1 1 54 54 HIS H H 54 8.622 8.622 8.233 0.389 25509 3878 1 6 . 1 1 56 56 GLU C C 56 178.356 178.356 178.433 -0.077 25509 3879 1 6 . 1 1 56 56 GLU CA C 56 60.597 60.597 58.229 2.368 25509 3880 1 6 . 1 1 57 57 MET N N 57 113.971 113.971 118.264 -4.293 25509 3881 1 6 . 1 1 57 57 MET HA H 57 4.433 4.433 4.430 0.003 25509 3882 1 6 . 1 1 57 57 MET C C 57 180.454 180.454 178.343 2.111 25509 3883 1 6 . 1 1 57 57 MET CA C 57 55.453 55.453 58.323 -2.870 25509 3884 1 6 . 1 1 57 57 MET H H 57 6.807 6.807 8.428 -1.621 25509 3885 1 6 . 1 1 58 58 ARG N N 58 123.367 123.367 120.684 2.683 25509 3886 1 6 . 1 1 58 58 ARG HA H 58 3.764 3.764 3.978 -0.214 25509 3887 1 6 . 1 1 58 58 ARG C C 58 179.588 179.588 177.987 1.601 25509 3888 1 6 . 1 1 58 58 ARG CA C 58 58.505 58.505 60.056 -1.551 25509 3889 1 6 . 1 1 58 58 ARG H H 58 7.658 7.658 8.294 -0.636 25509 3890 1 6 . 1 1 59 59 PHE N N 59 121.256 121.256 117.232 4.024 25509 3891 1 6 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.089 -0.531 25509 3892 1 6 . 1 1 59 59 PHE C C 59 175.915 175.915 176.366 -0.451 25509 3893 1 6 . 1 1 59 59 PHE CA C 59 61.355 61.355 60.282 1.073 25509 3894 1 6 . 1 1 59 59 PHE H H 59 8.925 8.925 8.515 0.410 25509 3895 1 6 . 1 1 60 60 LEU N N 60 118.280 118.280 117.845 0.435 25509 3896 1 6 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.476 -0.004 25509 3897 1 6 . 1 1 60 60 LEU C C 60 179.572 179.572 178.484 1.088 25509 3898 1 6 . 1 1 60 60 LEU CA C 60 57.365 57.365 56.861 0.505 25509 3899 1 6 . 1 1 60 60 LEU H H 60 7.587 7.587 7.014 0.573 25509 3900 1 6 . 1 1 61 61 SER N N 61 115.099 115.099 115.715 -0.616 25509 3901 1 6 . 1 1 61 61 SER HA H 61 4.053 4.053 4.078 -0.025 25509 3902 1 6 . 1 1 61 61 SER C C 61 176.822 176.822 176.502 0.320 25509 3903 1 6 . 1 1 61 61 SER CA C 61 60.923 60.923 61.731 -0.808 25509 3904 1 6 . 1 1 61 61 SER H H 61 7.479 7.479 8.461 -0.982 25509 3905 1 6 . 1 1 62 62 LEU N N 62 123.881 123.881 118.645 5.236 25509 3906 1 6 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.984 -0.590 25509 3907 1 6 . 1 1 62 62 LEU C C 62 177.319 177.319 177.295 0.024 25509 3908 1 6 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.536 -0.659 25509 3909 1 6 . 1 1 62 62 LEU H H 62 7.302 7.302 7.315 -0.013 25509 3910 1 6 . 1 1 63 63 VAL N N 63 115.745 115.745 118.089 -2.344 25509 3911 1 6 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.206 -0.527 25509 3912 1 6 . 1 1 63 63 VAL C C 63 178.913 178.913 177.149 1.764 25509 3913 1 6 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.857 -1.290 25509 3914 1 6 . 1 1 63 63 VAL H H 63 7.039 7.039 7.211 -0.172 25509 3915 1 6 . 1 1 64 64 SER N N 64 114.324 114.324 112.460 1.864 25509 3916 1 6 . 1 1 64 64 SER C C 64 176.376 176.376 175.454 0.922 25509 3917 1 6 . 1 1 64 64 SER CA C 64 60.925 60.925 60.489 0.436 25509 3918 1 6 . 1 1 64 64 SER H H 64 7.205 7.205 7.515 -0.310 25509 3919 1 6 . 1 1 65 65 LYS N N 65 121.823 121.823 117.922 3.901 25509 3920 1 6 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.417 -0.342 25509 3921 1 6 . 1 1 65 65 LYS C C 65 178.346 178.346 176.643 1.703 25509 3922 1 6 . 1 1 65 65 LYS CA C 65 57.294 57.294 56.596 0.698 25509 3923 1 6 . 1 1 65 65 LYS H H 65 7.294 7.294 7.379 -0.085 25509 3924 1 6 . 1 1 66 66 TRP N N 66 120.291 120.291 122.875 -2.584 25509 3925 1 6 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.681 -0.207 25509 3926 1 6 . 1 1 66 66 TRP CA C 66 56.009 56.009 55.278 0.731 25509 3927 1 6 . 1 1 66 66 TRP H H 66 7.834 7.834 7.742 0.092 25509 3928 1 6 . 1 1 69 69 HIS C C 69 176.475 176.475 174.597 1.878 25509 3929 1 6 . 1 1 69 69 HIS CA C 69 56.029 56.029 55.853 0.176 25509 3930 1 6 . 1 1 70 70 ARG N N 70 121.733 121.733 121.015 0.718 25509 3931 1 6 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.557 -1.060 25509 3932 1 6 . 1 1 70 70 ARG C C 70 175.806 175.806 176.112 -0.306 25509 3933 1 6 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.212 1.130 25509 3934 1 6 . 1 1 70 70 ARG H H 70 8.527 8.527 7.954 0.573 25509 3935 1 6 . 1 1 71 71 ASP N N 71 116.800 116.800 120.633 -3.833 25509 3936 1 6 . 1 1 71 71 ASP C C 71 175.213 175.213 176.510 -1.297 25509 3937 1 6 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.255 -2.228 25509 3938 1 6 . 1 1 71 71 ASP H H 71 8.599 8.599 8.550 0.049 25509 3939 1 6 . 1 1 72 72 GLN N N 72 119.761 119.761 119.873 -0.112 25509 3940 1 6 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.384 0.138 25509 3941 1 6 . 1 1 72 72 GLN C C 72 172.972 172.972 175.102 -2.130 25509 3942 1 6 . 1 1 72 72 GLN CA C 72 53.807 53.807 55.485 -1.678 25509 3943 1 6 . 1 1 72 72 GLN H H 72 7.629 7.629 7.900 -0.271 25509 3944 1 6 . 1 1 73 73 GLU N N 73 117.994 117.994 117.268 0.726 25509 3945 1 6 . 1 1 73 73 GLU C C 73 176.011 176.011 175.087 0.924 25509 3946 1 6 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.566 -0.670 25509 3947 1 6 . 1 1 73 73 GLU H H 73 7.984 7.984 8.388 -0.404 25509 3948 1 6 . 1 1 74 74 TYR N N 74 120.098 120.098 120.601 -0.503 25509 3949 1 6 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.838 0.285 25509 3950 1 6 . 1 1 74 74 TYR C C 74 174.675 174.675 173.828 0.847 25509 3951 1 6 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.168 -0.426 25509 3952 1 6 . 1 1 74 74 TYR H H 74 8.860 8.860 8.388 0.472 25509 3953 1 6 . 1 1 75 75 GLU N N 75 123.539 123.539 123.133 0.406 25509 3954 1 6 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.170 -0.277 25509 3955 1 6 . 1 1 75 75 GLU C C 75 175.614 175.614 174.778 0.836 25509 3956 1 6 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.066 0.505 25509 3957 1 6 . 1 1 75 75 GLU H H 75 9.321 9.321 8.238 1.083 25509 3958 1 6 . 1 1 76 76 VAL N N 76 128.647 128.647 125.869 2.778 25509 3959 1 6 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.242 -0.056 25509 3960 1 6 . 1 1 76 76 VAL C C 76 175.004 175.004 175.133 -0.129 25509 3961 1 6 . 1 1 76 76 VAL CA C 76 60.376 60.376 59.798 0.578 25509 3962 1 6 . 1 1 76 76 VAL H H 76 9.399 9.399 8.855 0.544 25509 3963 1 6 . 1 1 77 77 THR N N 77 126.297 126.297 121.225 5.072 25509 3964 1 6 . 1 1 77 77 THR HA H 77 5.223 5.223 4.776 0.447 25509 3965 1 6 . 1 1 77 77 THR C C 77 173.353 173.353 172.968 0.385 25509 3966 1 6 . 1 1 77 77 THR CA C 77 61.442 61.442 61.760 -0.318 25509 3967 1 6 . 1 1 77 77 THR H H 77 9.597 9.597 8.422 1.175 25509 3968 1 6 . 1 1 78 78 TRP N N 78 125.914 125.914 127.201 -1.287 25509 3969 1 6 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.813 0.857 25509 3970 1 6 . 1 1 78 78 TRP C C 78 174.723 174.723 174.273 0.450 25509 3971 1 6 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.299 -7.094 25509 3972 1 6 . 1 1 78 78 TRP H H 78 9.173 9.173 9.252 -0.079 25509 3973 1 6 . 1 1 79 79 TYR N N 79 120.962 120.962 124.368 -3.406 25509 3974 1 6 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.744 0.573 25509 3975 1 6 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.127 -1.428 25509 3976 1 6 . 1 1 79 79 TYR H H 79 9.322 9.322 9.143 0.179 25509 3977 1 6 . 1 1 80 80 ILE N N 80 125.201 125.201 123.864 1.337 25509 3978 1 6 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.176 1.753 25509 3979 1 6 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.623 -16.787 25509 3980 1 6 . 1 1 80 80 ILE H H 80 9.634 9.634 8.178 1.456 25509 3981 1 6 . 1 1 86 86 THR HA H 86 3.629 3.629 4.062 -0.433 25509 3982 1 6 . 1 1 86 86 THR C C 86 175.273 175.273 176.153 -0.880 25509 3983 1 6 . 1 1 86 86 THR CA C 86 60.845 60.845 66.730 -5.885 25509 3984 1 6 . 1 1 87 87 LYS N N 87 121.904 121.904 120.441 1.463 25509 3985 1 6 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.413 -0.470 25509 3986 1 6 . 1 1 87 87 LYS C C 87 178.969 178.969 178.168 0.801 25509 3987 1 6 . 1 1 87 87 LYS CA C 87 59.326 59.326 58.601 0.725 25509 3988 1 6 . 1 1 87 87 LYS H H 87 7.728 7.728 8.261 -0.533 25509 3989 1 6 . 1 1 88 88 CYS N N 88 121.877 121.877 119.161 2.716 25509 3990 1 6 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.820 -0.886 25509 3991 1 6 . 1 1 88 88 CYS C C 88 178.168 178.168 177.053 1.115 25509 3992 1 6 . 1 1 88 88 CYS CA C 88 65.201 65.201 61.388 3.813 25509 3993 1 6 . 1 1 88 88 CYS H H 88 8.717 8.717 7.936 0.781 25509 3994 1 6 . 1 1 89 89 ALA N N 89 120.872 120.872 122.983 -2.111 25509 3995 1 6 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.166 -0.277 25509 3996 1 6 . 1 1 89 89 ALA C C 89 179.782 179.782 179.148 0.634 25509 3997 1 6 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.103 0.197 25509 3998 1 6 . 1 1 89 89 ALA H H 89 9.009 9.009 8.021 0.988 25509 3999 1 6 . 1 1 90 90 ARG N N 90 117.797 117.797 117.698 0.099 25509 4000 1 6 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.019 -0.034 25509 4001 1 6 . 1 1 90 90 ARG C C 90 179.333 179.333 178.281 1.052 25509 4002 1 6 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.450 -0.097 25509 4003 1 6 . 1 1 90 90 ARG H H 90 7.912 7.912 7.657 0.255 25509 4004 1 6 . 1 1 91 91 ASP N N 91 121.892 121.892 119.772 2.120 25509 4005 1 6 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.485 -0.010 25509 4006 1 6 . 1 1 91 91 ASP C C 91 180.593 180.593 178.338 2.255 25509 4007 1 6 . 1 1 91 91 ASP CA C 91 57.329 57.329 57.387 -0.058 25509 4008 1 6 . 1 1 91 91 ASP H H 91 8.413 8.413 8.272 0.141 25509 4009 1 6 . 1 1 92 92 MET N N 92 121.165 121.165 118.888 2.277 25509 4010 1 6 . 1 1 92 92 MET HA H 92 4.453 4.453 4.153 0.300 25509 4011 1 6 . 1 1 92 92 MET C C 92 177.594 177.594 177.987 -0.393 25509 4012 1 6 . 1 1 92 92 MET CA C 92 56.255 56.255 59.231 -2.976 25509 4013 1 6 . 1 1 92 92 MET H H 92 8.986 8.986 7.788 1.198 25509 4014 1 6 . 1 1 93 93 ALA N N 93 124.315 124.315 120.498 3.817 25509 4015 1 6 . 1 1 93 93 ALA HA H 93 3.818 3.818 3.972 -0.154 25509 4016 1 6 . 1 1 93 93 ALA C C 93 179.351 179.351 179.580 -0.229 25509 4017 1 6 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.049 0.410 25509 4018 1 6 . 1 1 93 93 ALA H H 93 8.090 8.090 7.858 0.232 25509 4019 1 6 . 1 1 94 94 THR N N 94 115.375 115.375 116.209 -0.834 25509 4020 1 6 . 1 1 94 94 THR HA H 94 3.854 3.854 4.035 -0.180 25509 4021 1 6 . 1 1 94 94 THR C C 94 175.971 175.971 176.304 -0.333 25509 4022 1 6 . 1 1 94 94 THR CA C 94 66.140 66.140 66.923 -0.783 25509 4023 1 6 . 1 1 94 94 THR H H 94 7.908 7.908 7.858 0.050 25509 4024 1 6 . 1 1 95 95 PHE N N 95 121.559 121.559 123.111 -1.552 25509 4025 1 6 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.250 -0.061 25509 4026 1 6 . 1 1 95 95 PHE C C 95 178.456 178.456 176.321 2.135 25509 4027 1 6 . 1 1 95 95 PHE CA C 95 61.307 61.307 61.192 0.115 25509 4028 1 6 . 1 1 95 95 PHE H H 95 7.845 7.845 8.061 -0.216 25509 4029 1 6 . 1 1 96 96 LEU N N 96 120.614 120.614 119.778 0.836 25509 4030 1 6 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.563 0.188 25509 4031 1 6 . 1 1 96 96 LEU C C 96 179.846 179.846 178.754 1.092 25509 4032 1 6 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.822 -0.701 25509 4033 1 6 . 1 1 96 96 LEU H H 96 8.493 8.493 8.492 0.001 25509 4034 1 6 . 1 1 97 97 GLN N N 97 118.135 118.135 117.481 0.654 25509 4035 1 6 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.077 -0.005 25509 4036 1 6 . 1 1 97 97 GLN C C 97 177.940 177.940 177.874 0.066 25509 4037 1 6 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.437 -0.448 25509 4038 1 6 . 1 1 97 97 GLN H H 97 7.971 7.971 8.068 -0.097 25509 4039 1 6 . 1 1 98 98 GLU N N 98 115.676 115.676 117.883 -2.207 25509 4040 1 6 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.180 0.042 25509 4041 1 6 . 1 1 98 98 GLU C C 98 176.364 176.364 177.832 -1.468 25509 4042 1 6 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.158 -0.693 25509 4043 1 6 . 1 1 98 98 GLU H H 98 7.473 7.473 7.781 -0.308 25509 4044 1 6 . 1 1 99 99 ASN N N 99 121.312 121.312 119.277 2.035 25509 4045 1 6 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.462 0.524 25509 4046 1 6 . 1 1 99 99 ASN C C 99 174.155 174.155 175.802 -1.647 25509 4047 1 6 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.316 -2.358 25509 4048 1 6 . 1 1 99 99 ASN H H 99 7.520 7.520 7.983 -0.463 25509 4049 1 6 . 1 1 100 100 THR N N 100 111.032 111.032 113.730 -2.698 25509 4050 1 6 . 1 1 100 100 THR HA H 100 4.438 4.438 3.884 0.554 25509 4051 1 6 . 1 1 100 100 THR C C 100 174.600 174.600 174.064 0.536 25509 4052 1 6 . 1 1 100 100 THR CA C 100 63.613 63.613 63.244 0.369 25509 4053 1 6 . 1 1 100 100 THR H H 100 7.985 7.985 7.662 0.323 25509 4054 1 6 . 1 1 101 101 HIS C C 101 173.419 173.419 173.390 0.029 25509 4055 1 6 . 1 1 101 101 HIS CA C 101 56.546 56.546 58.322 -1.776 25509 4056 1 6 . 1 1 102 102 VAL N N 102 123.373 123.373 116.991 6.382 25509 4057 1 6 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.058 -0.415 25509 4058 1 6 . 1 1 102 102 VAL C C 102 174.248 174.248 174.793 -0.545 25509 4059 1 6 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.941 1.075 25509 4060 1 6 . 1 1 102 102 VAL H H 102 7.561 7.561 7.640 -0.079 25509 4061 1 6 . 1 1 103 103 THR N N 103 119.261 119.261 120.737 -1.476 25509 4062 1 6 . 1 1 103 103 THR HA H 103 4.702 4.702 5.039 -0.337 25509 4063 1 6 . 1 1 103 103 THR C C 103 173.198 173.198 173.803 -0.605 25509 4064 1 6 . 1 1 103 103 THR CA C 103 59.956 59.956 59.864 0.092 25509 4065 1 6 . 1 1 103 103 THR H H 103 8.370 8.370 8.724 -0.354 25509 4066 1 6 . 1 1 104 104 LEU N N 104 128.085 128.085 125.186 2.899 25509 4067 1 6 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.825 0.298 25509 4068 1 6 . 1 1 104 104 LEU C C 104 175.009 175.009 175.471 -0.462 25509 4069 1 6 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.770 -0.539 25509 4070 1 6 . 1 1 104 104 LEU H H 104 9.373 9.373 8.611 0.762 25509 4071 1 6 . 1 1 105 105 THR N N 105 126.064 126.064 120.502 5.562 25509 4072 1 6 . 1 1 105 105 THR HA H 105 4.560 4.560 4.851 -0.291 25509 4073 1 6 . 1 1 105 105 THR C C 105 171.873 171.873 174.534 -2.661 25509 4074 1 6 . 1 1 105 105 THR CA C 105 61.546 61.546 61.062 0.484 25509 4075 1 6 . 1 1 105 105 THR H H 105 8.561 8.561 8.911 -0.350 25509 4076 1 6 . 1 1 106 106 ILE N N 106 125.679 125.679 124.837 0.842 25509 4077 1 6 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.802 -0.595 25509 4078 1 6 . 1 1 106 106 ILE C C 106 172.536 172.536 174.714 -2.178 25509 4079 1 6 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.021 -2.134 25509 4080 1 6 . 1 1 106 106 ILE H H 106 9.190 9.190 8.216 0.974 25509 4081 1 6 . 1 1 107 107 PHE N N 107 126.337 126.337 122.841 3.496 25509 4082 1 6 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.563 -0.307 25509 4083 1 6 . 1 1 107 107 PHE C C 107 175.694 175.694 175.203 0.491 25509 4084 1 6 . 1 1 107 107 PHE CA C 107 56.342 56.342 56.313 0.029 25509 4085 1 6 . 1 1 107 107 PHE H H 107 9.135 9.135 8.936 0.199 25509 4086 1 6 . 1 1 108 108 VAL N N 108 118.789 118.789 121.640 -2.851 25509 4087 1 6 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.487 0.533 25509 4088 1 6 . 1 1 108 108 VAL C C 108 176.539 176.539 174.547 1.992 25509 4089 1 6 . 1 1 108 108 VAL CA C 108 58.498 58.498 60.919 -2.421 25509 4090 1 6 . 1 1 108 108 VAL H H 108 8.936 8.936 8.323 0.613 25509 4091 1 6 . 1 1 109 109 ALA N N 109 129.108 129.108 130.582 -1.474 25509 4092 1 6 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.815 -0.291 25509 4093 1 6 . 1 1 109 109 ALA C C 109 175.933 175.933 177.705 -1.772 25509 4094 1 6 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.450 2.587 25509 4095 1 6 . 1 1 109 109 ALA H H 109 8.509 8.509 8.533 -0.024 25509 4096 1 6 . 1 1 110 110 ARG N N 110 110.165 110.165 120.541 -10.376 25509 4097 1 6 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.361 0.144 25509 4098 1 6 . 1 1 110 110 ARG C C 110 175.120 175.120 176.757 -1.637 25509 4099 1 6 . 1 1 110 110 ARG CA C 110 54.555 54.555 56.330 -1.775 25509 4100 1 6 . 1 1 110 110 ARG H H 110 6.677 6.677 7.920 -1.243 25509 4101 1 6 . 1 1 111 111 LEU N N 111 119.767 119.767 121.825 -2.058 25509 4102 1 6 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.779 -0.264 25509 4103 1 6 . 1 1 111 111 LEU CA C 111 53.198 53.198 54.736 -1.538 25509 4104 1 6 . 1 1 111 111 LEU H H 111 7.031 7.031 8.463 -1.432 25509 4105 1 6 . 1 1 117 117 PRO C C 117 178.666 178.666 177.761 0.905 25509 4106 1 6 . 1 1 117 117 PRO CA C 117 64.996 64.996 64.471 0.525 25509 4107 1 6 . 1 1 118 118 ASP N N 118 118.659 118.659 118.063 0.596 25509 4108 1 6 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.753 -0.319 25509 4109 1 6 . 1 1 118 118 ASP C C 118 178.263 178.263 177.614 0.649 25509 4110 1 6 . 1 1 118 118 ASP CA C 118 56.740 56.740 56.084 0.656 25509 4111 1 6 . 1 1 118 118 ASP H H 118 8.215 8.215 8.455 -0.240 25509 4112 1 6 . 1 1 119 119 TYR N N 119 122.818 122.818 120.859 1.959 25509 4113 1 6 . 1 1 119 119 TYR HA H 119 4.204 4.204 3.961 0.243 25509 4114 1 6 . 1 1 119 119 TYR C C 119 177.538 177.538 177.312 0.226 25509 4115 1 6 . 1 1 119 119 TYR CA C 119 60.942 60.942 62.127 -1.185 25509 4116 1 6 . 1 1 119 119 TYR H H 119 7.994 7.994 7.718 0.276 25509 4117 1 6 . 1 1 120 120 GLN N N 120 117.143 117.143 116.769 0.374 25509 4118 1 6 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.817 -0.309 25509 4119 1 6 . 1 1 120 120 GLN C C 120 177.702 177.702 178.444 -0.742 25509 4120 1 6 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.350 -0.364 25509 4121 1 6 . 1 1 120 120 GLN H H 120 7.898 7.898 8.607 -0.710 25509 4122 1 6 . 1 1 121 121 GLU N N 121 117.707 117.707 119.876 -2.169 25509 4123 1 6 . 1 1 121 121 GLU HA H 121 3.891 3.891 3.977 -0.086 25509 4124 1 6 . 1 1 121 121 GLU C C 121 178.815 178.815 178.827 -0.012 25509 4125 1 6 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.862 -0.259 25509 4126 1 6 . 1 1 121 121 GLU H H 121 7.829 7.829 7.661 0.168 25509 4127 1 6 . 1 1 122 122 ALA N N 122 123.710 123.710 122.612 1.098 25509 4128 1 6 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.089 -0.189 25509 4129 1 6 . 1 1 122 122 ALA C C 122 180.296 180.296 179.410 0.886 25509 4130 1 6 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.767 0.181 25509 4131 1 6 . 1 1 122 122 ALA H H 122 7.881 7.881 8.253 -0.372 25509 4132 1 6 . 1 1 123 123 LEU N N 123 119.307 119.307 117.311 1.996 25509 4133 1 6 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.797 -0.006 25509 4134 1 6 . 1 1 123 123 LEU C C 123 179.075 179.075 178.540 0.535 25509 4135 1 6 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.559 -0.022 25509 4136 1 6 . 1 1 123 123 LEU H H 123 8.073 8.073 7.793 0.280 25509 4137 1 6 . 1 1 124 124 ARG N N 124 118.146 118.146 117.510 0.636 25509 4138 1 6 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.960 -0.128 25509 4139 1 6 . 1 1 124 124 ARG C C 124 179.745 179.745 178.642 1.103 25509 4140 1 6 . 1 1 124 124 ARG CA C 124 60.155 60.155 58.505 1.650 25509 4141 1 6 . 1 1 124 124 ARG H H 124 8.074 8.074 7.537 0.537 25509 4142 1 6 . 1 1 125 125 SER N N 125 117.399 117.399 116.496 0.903 25509 4143 1 6 . 1 1 125 125 SER HA H 125 4.151 4.151 4.193 -0.042 25509 4144 1 6 . 1 1 125 125 SER C C 125 176.389 176.389 176.476 -0.087 25509 4145 1 6 . 1 1 125 125 SER CA C 125 54.752 54.752 61.342 -6.590 25509 4146 1 6 . 1 1 125 125 SER H H 125 8.471 8.471 7.360 1.111 25509 4147 1 6 . 1 1 126 126 LEU N N 126 125.924 125.924 122.115 3.809 25509 4148 1 6 . 1 1 126 126 LEU HA H 126 3.970 3.970 3.937 0.033 25509 4149 1 6 . 1 1 126 126 LEU C C 126 177.721 177.721 178.662 -0.941 25509 4150 1 6 . 1 1 126 126 LEU CA C 126 57.423 57.423 58.318 -0.895 25509 4151 1 6 . 1 1 126 126 LEU H H 126 7.621 7.621 7.453 0.168 25509 4152 1 6 . 1 1 127 127 ALA N N 127 122.932 122.932 120.566 2.366 25509 4153 1 6 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.327 0.349 25509 4154 1 6 . 1 1 127 127 ALA C C 127 182.614 182.614 179.560 3.054 25509 4155 1 6 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.417 -0.443 25509 4156 1 6 . 1 1 127 127 ALA H H 127 7.973 7.973 7.538 0.435 25509 4157 1 6 . 1 1 128 128 GLN N N 128 120.408 120.408 117.458 2.950 25509 4158 1 6 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.065 -0.036 25509 4159 1 6 . 1 1 128 128 GLN C C 128 177.613 177.613 177.510 0.103 25509 4160 1 6 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.090 -0.039 25509 4161 1 6 . 1 1 128 128 GLN H H 128 8.690 8.690 7.710 0.980 25509 4162 1 6 . 1 1 129 129 ALA N N 129 120.391 120.391 120.026 0.365 25509 4163 1 6 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.185 0.098 25509 4164 1 6 . 1 1 129 129 ALA C C 129 177.019 177.019 177.343 -0.324 25509 4165 1 6 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.978 -0.807 25509 4166 1 6 . 1 1 129 129 ALA H H 129 7.542 7.542 7.545 -0.003 25509 4167 1 6 . 1 1 130 130 GLY N N 130 104.533 104.533 103.758 0.775 25509 4168 1 6 . 1 1 130 130 GLY C C 130 175.291 175.291 172.397 2.894 25509 4169 1 6 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.705 -0.430 25509 4170 1 6 . 1 1 130 130 GLY H H 130 7.760 7.760 7.739 0.021 25509 4171 1 6 . 1 1 131 131 ALA N N 131 124.759 124.759 122.007 2.752 25509 4172 1 6 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.533 -0.946 25509 4173 1 6 . 1 1 131 131 ALA C C 131 177.045 177.045 175.562 1.483 25509 4174 1 6 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.071 1.543 25509 4175 1 6 . 1 1 131 131 ALA H H 131 7.543 7.543 7.773 -0.230 25509 4176 1 6 . 1 1 132 132 THR N N 132 120.565 120.565 116.126 4.439 25509 4177 1 6 . 1 1 132 132 THR HA H 132 4.293 4.293 4.582 -0.289 25509 4178 1 6 . 1 1 132 132 THR C C 132 172.940 172.940 173.016 -0.076 25509 4179 1 6 . 1 1 132 132 THR CA C 132 62.285 62.285 61.832 0.453 25509 4180 1 6 . 1 1 132 132 THR H H 132 7.983 7.983 8.767 -0.784 25509 4181 1 6 . 1 1 133 133 ILE N N 133 128.874 128.874 126.966 1.908 25509 4182 1 6 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.558 0.147 25509 4183 1 6 . 1 1 133 133 ILE C C 133 173.707 173.707 174.722 -1.015 25509 4184 1 6 . 1 1 133 133 ILE CA C 133 59.898 59.898 60.306 -0.408 25509 4185 1 6 . 1 1 133 133 ILE H H 133 8.641 8.641 8.456 0.185 25509 4186 1 6 . 1 1 134 134 LYS N N 134 125.904 125.904 126.067 -0.163 25509 4187 1 6 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.637 -0.147 25509 4188 1 6 . 1 1 134 134 LYS C C 134 174.736 174.736 174.956 -0.220 25509 4189 1 6 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.295 0.611 25509 4190 1 6 . 1 1 134 134 LYS H H 134 8.878 8.878 7.841 1.037 25509 4191 1 6 . 1 1 135 135 ILE N N 135 121.444 121.444 121.878 -0.434 25509 4192 1 6 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.356 0.288 25509 4193 1 6 . 1 1 135 135 ILE C C 135 177.563 177.563 177.360 0.203 25509 4194 1 6 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.521 -3.687 25509 4195 1 6 . 1 1 135 135 ILE H H 135 8.601 8.601 8.414 0.187 25509 4196 1 6 . 1 1 136 136 MET N N 136 124.557 124.557 122.725 1.832 25509 4197 1 6 . 1 1 136 136 MET HA H 136 3.741 3.741 4.641 -0.900 25509 4198 1 6 . 1 1 136 136 MET C C 136 174.070 174.070 174.795 -0.725 25509 4199 1 6 . 1 1 136 136 MET CA C 136 58.298 58.298 56.707 1.591 25509 4200 1 6 . 1 1 136 136 MET H H 136 8.550 8.550 8.256 0.294 25509 4201 1 6 . 1 1 137 137 ASN N N 137 126.678 126.678 122.009 4.669 25509 4202 1 6 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.178 -0.170 25509 4203 1 6 . 1 1 137 137 ASN C C 137 174.733 174.733 176.281 -1.548 25509 4204 1 6 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.323 -1.429 25509 4205 1 6 . 1 1 137 137 ASN H H 137 9.480 9.480 8.077 1.403 25509 4206 1 6 . 1 1 138 138 TYR N N 138 123.587 123.587 122.447 1.140 25509 4207 1 6 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.524 -0.683 25509 4208 1 6 . 1 1 138 138 TYR C C 138 176.154 176.154 176.885 -0.731 25509 4209 1 6 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.073 1.738 25509 4210 1 6 . 1 1 138 138 TYR H H 138 9.914 9.914 8.847 1.067 25509 4211 1 6 . 1 1 139 139 ASP N N 139 116.024 116.024 118.468 -2.444 25509 4212 1 6 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.051 0.065 25509 4213 1 6 . 1 1 139 139 ASP C C 139 179.067 179.067 177.763 1.304 25509 4214 1 6 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.695 -0.204 25509 4215 1 6 . 1 1 139 139 ASP H H 139 8.976 8.976 8.534 0.442 25509 4216 1 6 . 1 1 140 140 GLU N N 140 118.087 118.087 119.957 -1.870 25509 4217 1 6 . 1 1 140 140 GLU HA H 140 3.826 3.826 3.984 -0.158 25509 4218 1 6 . 1 1 140 140 GLU C C 140 178.692 178.692 177.993 0.699 25509 4219 1 6 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.303 2.297 25509 4220 1 6 . 1 1 140 140 GLU H H 140 7.540 7.540 8.149 -0.609 25509 4221 1 6 . 1 1 141 141 PHE N N 141 119.608 119.608 120.069 -0.461 25509 4222 1 6 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.264 -0.476 25509 4223 1 6 . 1 1 141 141 PHE C C 141 176.881 176.881 178.154 -1.273 25509 4224 1 6 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.715 0.988 25509 4225 1 6 . 1 1 141 141 PHE H H 141 8.032 8.032 7.713 0.319 25509 4226 1 6 . 1 1 142 142 GLN N N 142 118.759 118.759 119.589 -0.830 25509 4227 1 6 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.048 -0.027 25509 4228 1 6 . 1 1 142 142 GLN C C 142 177.945 177.945 177.592 0.353 25509 4229 1 6 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.401 -0.622 25509 4230 1 6 . 1 1 142 142 GLN H H 142 8.223 8.223 8.723 -0.500 25509 4231 1 6 . 1 1 143 143 HIS N N 143 120.774 120.774 119.135 1.639 25509 4232 1 6 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.459 -0.481 25509 4233 1 6 . 1 1 143 143 HIS C C 143 177.147 177.147 177.514 -0.367 25509 4234 1 6 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.713 -0.346 25509 4235 1 6 . 1 1 143 143 HIS H H 143 7.924 7.924 7.511 0.413 25509 4236 1 6 . 1 1 144 144 CYS N N 144 117.600 117.600 119.610 -2.010 25509 4237 1 6 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.249 -0.411 25509 4238 1 6 . 1 1 144 144 CYS C C 144 176.233 176.233 176.629 -0.396 25509 4239 1 6 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.305 -0.453 25509 4240 1 6 . 1 1 144 144 CYS H H 144 7.892 7.892 8.239 -0.347 25509 4241 1 6 . 1 1 145 145 TRP N N 145 120.806 120.806 121.790 -0.984 25509 4242 1 6 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.794 -0.525 25509 4243 1 6 . 1 1 145 145 TRP C C 145 177.085 177.085 177.172 -0.087 25509 4244 1 6 . 1 1 145 145 TRP CA C 145 59.453 59.453 61.247 -1.794 25509 4245 1 6 . 1 1 145 145 TRP H H 145 8.201 8.201 8.953 -0.752 25509 4246 1 6 . 1 1 146 146 SER N N 146 111.555 111.555 114.376 -2.821 25509 4247 1 6 . 1 1 146 146 SER C C 146 176.199 176.199 176.025 0.174 25509 4248 1 6 . 1 1 146 146 SER CA C 146 60.827 60.827 61.534 -0.707 25509 4249 1 6 . 1 1 146 146 SER H H 146 8.032 8.032 7.570 0.462 25509 4250 1 6 . 1 1 147 147 LYS N N 147 115.563 115.563 121.321 -5.758 25509 4251 1 6 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.038 -0.064 25509 4252 1 6 . 1 1 147 147 LYS C C 147 177.448 177.448 178.135 -0.687 25509 4253 1 6 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.994 -2.530 25509 4254 1 6 . 1 1 147 147 LYS H H 147 7.684 7.684 7.957 -0.273 25509 4255 1 6 . 1 1 148 148 PHE N N 148 113.648 113.648 115.896 -2.248 25509 4256 1 6 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.457 0.020 25509 4257 1 6 . 1 1 148 148 PHE C C 148 174.293 174.293 175.999 -1.706 25509 4258 1 6 . 1 1 148 148 PHE CA C 148 58.180 58.180 59.574 -1.394 25509 4259 1 6 . 1 1 148 148 PHE H H 148 8.134 8.134 8.151 -0.017 25509 4260 1 6 . 1 1 149 149 VAL N N 149 119.139 119.139 116.453 2.686 25509 4261 1 6 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.907 0.202 25509 4262 1 6 . 1 1 149 149 VAL C C 149 175.690 175.690 176.285 -0.595 25509 4263 1 6 . 1 1 149 149 VAL CA C 149 60.309 60.309 60.191 0.118 25509 4264 1 6 . 1 1 149 149 VAL H H 149 6.787 6.787 7.358 -0.571 25509 4265 1 6 . 1 1 150 150 TYR N N 150 129.042 129.042 124.966 4.076 25509 4266 1 6 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.255 0.309 25509 4267 1 6 . 1 1 150 150 TYR C C 150 173.826 173.826 176.233 -2.407 25509 4268 1 6 . 1 1 150 150 TYR CA C 150 55.580 55.580 59.252 -3.672 25509 4269 1 6 . 1 1 150 150 TYR H H 150 8.552 8.552 8.901 -0.349 25509 4270 1 6 . 1 1 151 151 SER N N 151 119.931 119.931 115.763 4.168 25509 4271 1 6 . 1 1 151 151 SER HA H 151 4.585 4.585 3.878 0.707 25509 4272 1 6 . 1 1 151 151 SER C C 151 176.209 176.209 173.690 2.519 25509 4273 1 6 . 1 1 151 151 SER CA C 151 57.497 57.497 60.377 -2.880 25509 4274 1 6 . 1 1 151 151 SER H H 151 7.787 7.787 7.953 -0.166 25509 4275 1 6 . 1 1 152 152 GLN N N 152 120.381 120.381 117.921 2.460 25509 4276 1 6 . 1 1 152 152 GLN HA H 152 3.715 3.715 3.908 -0.193 25509 4277 1 6 . 1 1 152 152 GLN C C 152 175.787 175.787 174.911 0.876 25509 4278 1 6 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.579 -0.103 25509 4279 1 6 . 1 1 152 152 GLN H H 152 8.386 8.386 7.173 1.213 25509 4280 1 6 . 1 1 153 153 GLY N N 153 106.086 106.086 106.000 0.086 25509 4281 1 6 . 1 1 153 153 GLY C C 153 174.309 174.309 173.348 0.961 25509 4282 1 6 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.297 -0.395 25509 4283 1 6 . 1 1 153 153 GLY H H 153 8.047 8.047 8.325 -0.278 25509 4284 1 6 . 1 1 154 154 ALA N N 154 125.790 125.790 123.060 2.730 25509 4285 1 6 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.541 0.041 25509 4286 1 6 . 1 1 154 154 ALA C C 154 176.022 176.022 176.603 -0.581 25509 4287 1 6 . 1 1 154 154 ALA CA C 154 49.894 49.894 50.436 -0.542 25509 4288 1 6 . 1 1 154 154 ALA H H 154 7.562 7.562 7.775 -0.213 25509 4289 1 6 . 1 1 155 155 PRO C C 155 175.578 175.578 175.224 0.354 25509 4290 1 6 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.465 -0.804 25509 4291 1 6 . 1 1 156 156 PHE N N 156 121.116 121.116 124.117 -3.001 25509 4292 1 6 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.064 -1.718 25509 4293 1 6 . 1 1 156 156 PHE C C 156 174.254 174.254 174.332 -0.078 25509 4294 1 6 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.108 -0.694 25509 4295 1 6 . 1 1 156 156 PHE H H 156 8.288 8.288 8.111 0.177 25509 4296 1 6 . 1 1 157 157 GLN N N 157 129.600 129.600 126.192 3.408 25509 4297 1 6 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.665 -0.359 25509 4298 1 6 . 1 1 157 157 GLN C C 157 171.628 171.628 173.895 -2.267 25509 4299 1 6 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.749 -2.234 25509 4300 1 6 . 1 1 157 157 GLN H H 157 7.205 7.205 7.800 -0.595 25509 4301 1 6 . 1 1 158 158 PRO C C 158 175.224 175.224 175.059 0.165 25509 4302 1 6 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.138 -0.415 25509 4303 1 6 . 1 1 159 159 TRP N N 159 117.795 117.795 121.537 -3.742 25509 4304 1 6 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.795 -0.097 25509 4305 1 6 . 1 1 159 159 TRP C C 159 175.906 175.906 176.294 -0.388 25509 4306 1 6 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.917 -2.389 25509 4307 1 6 . 1 1 159 159 TRP H H 159 5.628 5.628 7.252 -1.624 25509 4308 1 6 . 1 1 160 160 ASP N N 160 122.363 122.363 122.841 -0.478 25509 4309 1 6 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.567 -0.244 25509 4310 1 6 . 1 1 160 160 ASP C C 160 177.598 177.598 176.573 1.025 25509 4311 1 6 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.647 0.748 25509 4312 1 6 . 1 1 160 160 ASP H H 160 8.766 8.766 8.504 0.262 25509 4313 1 6 . 1 1 161 161 GLY N N 161 111.982 111.982 108.147 3.835 25509 4314 1 6 . 1 1 161 161 GLY C C 161 173.833 173.833 175.107 -1.274 25509 4315 1 6 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.372 0.010 25509 4316 1 6 . 1 1 161 161 GLY H H 161 8.887 8.887 8.256 0.631 25509 4317 1 6 . 1 1 162 162 LEU N N 162 121.971 121.971 121.261 0.710 25509 4318 1 6 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.233 0.039 25509 4319 1 6 . 1 1 162 162 LEU C C 162 179.345 179.345 177.632 1.713 25509 4320 1 6 . 1 1 162 162 LEU CA C 162 60.554 60.554 58.086 2.468 25509 4321 1 6 . 1 1 162 162 LEU H H 162 7.078 7.078 8.261 -1.183 25509 4322 1 6 . 1 1 163 163 ASP N N 163 118.366 118.366 118.180 0.186 25509 4323 1 6 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.484 -0.025 25509 4324 1 6 . 1 1 163 163 ASP C C 163 178.182 178.182 178.292 -0.110 25509 4325 1 6 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.955 -0.847 25509 4326 1 6 . 1 1 163 163 ASP H H 163 8.679 8.679 8.643 0.036 25509 4327 1 6 . 1 1 164 164 GLU N N 164 121.998 121.998 118.697 3.301 25509 4328 1 6 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.139 -0.204 25509 4329 1 6 . 1 1 164 164 GLU C C 164 180.355 180.355 179.102 1.253 25509 4330 1 6 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.359 0.255 25509 4331 1 6 . 1 1 164 164 GLU H H 164 8.374 8.374 8.614 -0.240 25509 4332 1 6 . 1 1 165 165 HIS N N 165 120.268 120.268 118.944 1.324 25509 4333 1 6 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.590 0.012 25509 4334 1 6 . 1 1 165 165 HIS C C 165 178.924 178.924 177.935 0.989 25509 4335 1 6 . 1 1 165 165 HIS CA C 165 59.393 59.393 58.906 0.487 25509 4336 1 6 . 1 1 165 165 HIS H H 165 8.707 8.707 8.572 0.135 25509 4337 1 6 . 1 1 166 166 SER N N 166 118.252 118.252 116.657 1.595 25509 4338 1 6 . 1 1 166 166 SER HA H 166 4.400 4.400 4.329 0.071 25509 4339 1 6 . 1 1 166 166 SER C C 166 177.421 177.421 176.283 1.138 25509 4340 1 6 . 1 1 166 166 SER CA C 166 63.202 63.202 62.249 0.953 25509 4341 1 6 . 1 1 166 166 SER H H 166 8.649 8.649 8.669 -0.020 25509 4342 1 6 . 1 1 167 167 GLN N N 167 121.647 121.647 119.795 1.852 25509 4343 1 6 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.253 -0.077 25509 4344 1 6 . 1 1 167 167 GLN C C 167 179.643 179.643 177.603 2.040 25509 4345 1 6 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.370 0.412 25509 4346 1 6 . 1 1 167 167 GLN H H 167 8.645 8.645 8.458 0.187 25509 4347 1 6 . 1 1 168 168 ALA N N 168 124.242 124.242 123.361 0.881 25509 4348 1 6 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.090 0.159 25509 4349 1 6 . 1 1 168 168 ALA C C 168 181.949 181.949 179.454 2.495 25509 4350 1 6 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.919 -0.039 25509 4351 1 6 . 1 1 168 168 ALA H H 168 8.092 8.092 7.636 0.456 25509 4352 1 6 . 1 1 169 169 LEU N N 169 120.509 120.509 118.126 2.383 25509 4353 1 6 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.221 -0.134 25509 4354 1 6 . 1 1 169 169 LEU C C 169 179.159 179.159 178.507 0.652 25509 4355 1 6 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.151 0.452 25509 4356 1 6 . 1 1 169 169 LEU H H 169 8.526 8.526 7.808 0.718 25509 4357 1 6 . 1 1 170 170 SER N N 170 117.410 117.410 115.355 2.055 25509 4358 1 6 . 1 1 170 170 SER HA H 170 4.128 4.128 4.171 -0.043 25509 4359 1 6 . 1 1 170 170 SER C C 170 178.370 178.370 176.943 1.427 25509 4360 1 6 . 1 1 170 170 SER CA C 170 62.240 62.240 62.581 -0.341 25509 4361 1 6 . 1 1 170 170 SER H H 170 8.853 8.853 8.381 0.472 25509 4362 1 6 . 1 1 171 171 GLY N N 171 111.058 111.058 108.499 2.559 25509 4363 1 6 . 1 1 171 171 GLY C C 171 176.376 176.376 175.918 0.458 25509 4364 1 6 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.835 -0.162 25509 4365 1 6 . 1 1 171 171 GLY H H 171 8.175 8.175 8.065 0.110 25509 4366 1 6 . 1 1 172 172 ARG N N 172 123.131 123.131 120.895 2.236 25509 4367 1 6 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.269 -0.078 25509 4368 1 6 . 1 1 172 172 ARG C C 172 178.807 178.807 178.666 0.141 25509 4369 1 6 . 1 1 172 172 ARG CA C 172 58.189 58.189 58.386 -0.197 25509 4370 1 6 . 1 1 172 172 ARG H H 172 7.578 7.578 7.344 0.234 25509 4371 1 6 . 1 1 173 173 LEU N N 173 120.594 120.594 120.209 0.385 25509 4372 1 6 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.183 -0.191 25509 4373 1 6 . 1 1 173 173 LEU C C 173 178.396 178.396 178.416 -0.020 25509 4374 1 6 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.224 -0.763 25509 4375 1 6 . 1 1 173 173 LEU H H 173 8.813 8.813 7.721 1.092 25509 4376 1 6 . 1 1 174 174 GLY N N 174 105.456 105.456 106.036 -0.580 25509 4377 1 6 . 1 1 174 174 GLY C C 174 176.170 176.170 175.978 0.192 25509 4378 1 6 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.660 -0.019 25509 4379 1 6 . 1 1 174 174 GLY H H 174 8.221 8.221 7.930 0.291 25509 4380 1 6 . 1 1 175 175 GLU N N 175 120.171 120.171 122.300 -2.129 25509 4381 1 6 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.117 -0.037 25509 4382 1 6 . 1 1 175 175 GLU C C 175 179.100 179.100 178.881 0.219 25509 4383 1 6 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.380 0.070 25509 4384 1 6 . 1 1 175 175 GLU H H 175 7.478 7.478 7.643 -0.165 25509 4385 1 6 . 1 1 176 176 ILE N N 176 119.642 119.642 119.640 0.002 25509 4386 1 6 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.756 -0.076 25509 4387 1 6 . 1 1 176 176 ILE C C 176 177.560 177.560 177.730 -0.170 25509 4388 1 6 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.526 -1.050 25509 4389 1 6 . 1 1 176 176 ILE H H 176 7.755 7.755 7.549 0.206 25509 4390 1 6 . 1 1 177 177 LEU N N 177 116.019 116.019 118.245 -2.226 25509 4391 1 6 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.386 -0.295 25509 4392 1 6 . 1 1 177 177 LEU C C 177 177.520 177.520 178.856 -1.336 25509 4393 1 6 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.941 -1.689 25509 4394 1 6 . 1 1 177 177 LEU H H 177 8.067 8.067 7.385 0.682 25509 4395 1 6 . 1 1 178 178 ARG N N 178 118.755 118.755 120.690 -1.935 25509 4396 1 6 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.133 0.006 25509 4397 1 6 . 1 1 178 178 ARG C C 178 175.953 175.953 177.315 -1.362 25509 4398 1 6 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.903 -1.220 25509 4399 1 6 . 1 1 178 178 ARG H H 178 7.566 7.566 7.655 -0.089 25509 4400 1 6 . 1 1 179 179 HIS N N 179 120.648 120.648 120.739 -0.091 25509 4401 1 6 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.741 -0.129 25509 4402 1 6 . 1 1 179 179 HIS C C 179 174.365 174.365 173.643 0.722 25509 4403 1 6 . 1 1 179 179 HIS CA C 179 55.781 55.781 55.907 -0.127 25509 4404 1 6 . 1 1 179 179 HIS H H 179 8.140 8.140 8.333 -0.193 25509 4405 1 7 . 1 1 2 2 ASP N N 2 123.241 123.241 123.635 -0.394 25509 4406 1 7 . 1 1 2 2 ASP C C 2 174.657 174.657 174.161 0.496 25509 4407 1 7 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.661 -0.561 25509 4408 1 7 . 1 1 2 2 ASP H H 2 8.114 8.114 8.478 -0.364 25509 4409 1 7 . 1 1 3 3 PRO C C 3 178.464 178.464 175.975 2.489 25509 4410 1 7 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.074 3.425 25509 4411 1 7 . 1 1 4 4 ASP N N 4 118.258 118.258 121.145 -2.887 25509 4412 1 7 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.645 -0.197 25509 4413 1 7 . 1 1 4 4 ASP C C 4 178.808 178.808 177.853 0.955 25509 4414 1 7 . 1 1 4 4 ASP CA C 4 57.247 57.247 56.089 1.158 25509 4415 1 7 . 1 1 4 4 ASP H H 4 8.509 8.509 8.955 -0.446 25509 4416 1 7 . 1 1 5 5 THR N N 5 119.780 119.780 117.290 2.490 25509 4417 1 7 . 1 1 5 5 THR HA H 5 3.859 3.859 4.472 -0.613 25509 4418 1 7 . 1 1 5 5 THR C C 5 177.699 177.699 176.516 1.183 25509 4419 1 7 . 1 1 5 5 THR CA C 5 66.182 66.182 65.750 0.432 25509 4420 1 7 . 1 1 5 5 THR H H 5 8.150 8.150 8.279 -0.129 25509 4421 1 7 . 1 1 6 6 PHE N N 6 124.329 124.329 121.771 2.558 25509 4422 1 7 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.484 -0.280 25509 4423 1 7 . 1 1 6 6 PHE C C 6 176.665 176.665 177.309 -0.644 25509 4424 1 7 . 1 1 6 6 PHE CA C 6 61.800 61.800 60.387 1.413 25509 4425 1 7 . 1 1 6 6 PHE H H 6 8.297 8.297 8.495 -0.198 25509 4426 1 7 . 1 1 7 7 SER N N 7 116.185 116.185 114.818 1.367 25509 4427 1 7 . 1 1 7 7 SER C C 7 176.138 176.138 175.260 0.878 25509 4428 1 7 . 1 1 7 7 SER CA C 7 61.480 61.480 61.682 -0.202 25509 4429 1 7 . 1 1 7 7 SER H H 7 8.752 8.752 8.540 0.212 25509 4430 1 7 . 1 1 8 8 TYR N N 8 118.689 118.689 117.366 1.323 25509 4431 1 7 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.330 -0.283 25509 4432 1 7 . 1 1 8 8 TYR C C 8 177.077 177.077 178.871 -1.794 25509 4433 1 7 . 1 1 8 8 TYR CA C 8 60.282 60.282 60.392 -0.110 25509 4434 1 7 . 1 1 8 8 TYR H H 8 7.967 7.967 7.230 0.737 25509 4435 1 7 . 1 1 9 9 ASN N N 9 113.034 113.034 118.125 -5.091 25509 4436 1 7 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.501 -0.271 25509 4437 1 7 . 1 1 9 9 ASN C C 9 175.101 175.101 175.549 -0.448 25509 4438 1 7 . 1 1 9 9 ASN CA C 9 56.087 56.087 56.124 -0.037 25509 4439 1 7 . 1 1 9 9 ASN H H 9 7.577 7.577 8.034 -0.457 25509 4440 1 7 . 1 1 10 10 PHE N N 10 117.719 117.719 115.143 2.576 25509 4441 1 7 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.734 -0.858 25509 4442 1 7 . 1 1 10 10 PHE C C 10 171.880 171.880 174.712 -2.832 25509 4443 1 7 . 1 1 10 10 PHE CA C 10 58.762 58.762 56.685 2.077 25509 4444 1 7 . 1 1 10 10 PHE H H 10 8.655 8.655 7.875 0.780 25509 4445 1 7 . 1 1 11 11 ASN N N 11 114.885 114.885 120.474 -5.589 25509 4446 1 7 . 1 1 11 11 ASN C C 11 174.730 174.730 174.660 0.070 25509 4447 1 7 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.278 0.161 25509 4448 1 7 . 1 1 11 11 ASN H H 11 6.097 6.097 7.659 -1.562 25509 4449 1 7 . 1 1 12 12 ASN N N 12 121.039 121.039 119.204 1.835 25509 4450 1 7 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.659 -0.294 25509 4451 1 7 . 1 1 12 12 ASN C C 12 174.578 174.578 174.063 0.515 25509 4452 1 7 . 1 1 12 12 ASN CA C 12 51.417 51.417 54.435 -3.018 25509 4453 1 7 . 1 1 12 12 ASN H H 12 6.688 6.688 8.743 -2.055 25509 4454 1 7 . 1 1 13 13 ARG N N 13 119.646 119.646 117.913 1.733 25509 4455 1 7 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.680 -1.092 25509 4456 1 7 . 1 1 13 13 ARG C C 13 175.049 175.049 173.660 1.389 25509 4457 1 7 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.452 1.878 25509 4458 1 7 . 1 1 13 13 ARG H H 13 7.589 7.589 7.901 -0.312 25509 4459 1 7 . 1 1 14 14 PRO C C 14 176.477 176.477 177.367 -0.890 25509 4460 1 7 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.120 1.060 25509 4461 1 7 . 1 1 15 15 ILE N N 15 120.304 120.304 120.056 0.248 25509 4462 1 7 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.871 0.412 25509 4463 1 7 . 1 1 15 15 ILE C C 15 175.956 175.956 176.977 -1.021 25509 4464 1 7 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.849 -2.823 25509 4465 1 7 . 1 1 15 15 ILE H H 15 7.827 7.827 8.108 -0.281 25509 4466 1 7 . 1 1 16 16 LEU N N 16 124.585 124.585 119.247 5.338 25509 4467 1 7 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.438 -0.137 25509 4468 1 7 . 1 1 16 16 LEU C C 16 177.213 177.213 175.538 1.675 25509 4469 1 7 . 1 1 16 16 LEU CA C 16 55.089 55.089 55.337 -0.249 25509 4470 1 7 . 1 1 16 16 LEU H H 16 8.283 8.283 7.696 0.587 25509 4471 1 7 . 1 1 17 17 SER N N 17 115.176 115.176 119.039 -3.863 25509 4472 1 7 . 1 1 17 17 SER C C 17 173.733 173.733 174.404 -0.671 25509 4473 1 7 . 1 1 17 17 SER CA C 17 57.371 57.371 57.554 -0.183 25509 4474 1 7 . 1 1 17 17 SER H H 17 7.782 7.782 8.657 -0.875 25509 4475 1 7 . 1 1 18 18 ARG N N 18 122.072 122.072 122.288 -0.216 25509 4476 1 7 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.657 -0.453 25509 4477 1 7 . 1 1 18 18 ARG C C 18 176.524 176.524 175.811 0.713 25509 4478 1 7 . 1 1 18 18 ARG CA C 18 55.944 55.944 56.125 -0.181 25509 4479 1 7 . 1 1 18 18 ARG H H 18 8.318 8.318 8.464 -0.146 25509 4480 1 7 . 1 1 21 21 THR HA H 21 4.574 4.574 4.625 -0.051 25509 4481 1 7 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.853 -0.823 25509 4482 1 7 . 1 1 22 22 VAL CA C 22 61.772 61.772 61.355 0.417 25509 4483 1 7 . 1 1 24 24 LEU HA H 24 5.079 5.079 4.840 0.239 25509 4484 1 7 . 1 1 24 24 LEU C C 24 174.326 174.326 174.831 -0.505 25509 4485 1 7 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.242 -0.040 25509 4486 1 7 . 1 1 25 25 CYS N N 25 126.908 126.908 121.450 5.458 25509 4487 1 7 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.251 -0.552 25509 4488 1 7 . 1 1 25 25 CYS C C 25 173.285 173.285 174.523 -1.238 25509 4489 1 7 . 1 1 25 25 CYS CA C 25 57.086 57.086 58.426 -1.340 25509 4490 1 7 . 1 1 25 25 CYS H H 25 9.325 9.325 8.318 1.007 25509 4491 1 7 . 1 1 26 26 TYR N N 26 120.745 120.745 123.886 -3.141 25509 4492 1 7 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.907 0.393 25509 4493 1 7 . 1 1 26 26 TYR C C 26 173.449 173.449 173.909 -0.460 25509 4494 1 7 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.526 0.056 25509 4495 1 7 . 1 1 26 26 TYR H H 26 9.039 9.039 8.531 0.508 25509 4496 1 7 . 1 1 27 27 GLU N N 27 118.222 118.222 120.005 -1.783 25509 4497 1 7 . 1 1 27 27 GLU C C 27 175.348 175.348 175.922 -0.574 25509 4498 1 7 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.478 -0.930 25509 4499 1 7 . 1 1 27 27 GLU H H 27 9.358 9.358 8.946 0.412 25509 4500 1 7 . 1 1 28 28 VAL N N 28 124.182 124.182 125.012 -0.830 25509 4501 1 7 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.611 0.303 25509 4502 1 7 . 1 1 28 28 VAL C C 28 174.085 174.085 175.105 -1.020 25509 4503 1 7 . 1 1 28 28 VAL CA C 28 61.231 61.231 62.295 -1.064 25509 4504 1 7 . 1 1 28 28 VAL H H 28 9.479 9.479 9.364 0.115 25509 4505 1 7 . 1 1 29 29 LYS N N 29 127.566 127.566 126.315 1.251 25509 4506 1 7 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.659 0.732 25509 4507 1 7 . 1 1 29 29 LYS C C 29 175.631 175.631 174.783 0.848 25509 4508 1 7 . 1 1 29 29 LYS CA C 29 54.136 54.136 54.559 -0.423 25509 4509 1 7 . 1 1 29 29 LYS H H 29 9.151 9.151 8.843 0.308 25509 4510 1 7 . 1 1 30 30 THR N N 30 118.721 118.721 110.982 7.739 25509 4511 1 7 . 1 1 30 30 THR HA H 30 4.617 4.617 4.185 0.432 25509 4512 1 7 . 1 1 30 30 THR C C 30 173.948 173.948 175.492 -1.544 25509 4513 1 7 . 1 1 30 30 THR CA C 30 61.228 61.228 59.960 1.268 25509 4514 1 7 . 1 1 30 30 THR H H 30 8.615 8.615 8.019 0.596 25509 4515 1 7 . 1 1 31 31 LYS N N 31 125.634 125.634 118.679 6.955 25509 4516 1 7 . 1 1 31 31 LYS HA H 31 3.868 3.868 3.955 -0.087 25509 4517 1 7 . 1 1 31 31 LYS C C 31 176.799 176.799 176.941 -0.142 25509 4518 1 7 . 1 1 31 31 LYS CA C 31 56.250 56.250 58.261 -2.011 25509 4519 1 7 . 1 1 31 31 LYS H H 31 8.400 8.400 8.349 0.051 25509 4520 1 7 . 1 1 32 32 GLY N N 32 111.069 111.069 105.593 5.476 25509 4521 1 7 . 1 1 32 32 GLY C C 32 171.007 171.007 172.927 -1.920 25509 4522 1 7 . 1 1 32 32 GLY CA C 32 44.006 44.006 45.079 -1.073 25509 4523 1 7 . 1 1 32 32 GLY H H 32 8.170 8.170 8.036 0.134 25509 4524 1 7 . 1 1 33 33 PRO C C 33 176.964 176.964 176.489 0.475 25509 4525 1 7 . 1 1 33 33 PRO CA C 33 62.675 62.675 64.277 -1.602 25509 4526 1 7 . 1 1 34 34 SER N N 34 117.301 117.301 113.177 4.124 25509 4527 1 7 . 1 1 34 34 SER HA H 34 4.372 4.372 4.515 -0.143 25509 4528 1 7 . 1 1 34 34 SER C C 34 173.728 173.728 174.157 -0.429 25509 4529 1 7 . 1 1 34 34 SER CA C 34 57.933 57.933 57.827 0.106 25509 4530 1 7 . 1 1 34 34 SER H H 34 8.383 8.383 8.045 0.338 25509 4531 1 7 . 1 1 35 35 ARG N N 35 123.829 123.829 121.354 2.475 25509 4532 1 7 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.449 0.123 25509 4533 1 7 . 1 1 35 35 ARG C C 35 173.256 173.256 174.357 -1.101 25509 4534 1 7 . 1 1 35 35 ARG CA C 35 53.217 53.217 54.577 -1.360 25509 4535 1 7 . 1 1 35 35 ARG H H 35 8.153 8.153 7.183 0.970 25509 4536 1 7 . 1 1 37 37 PRO C C 37 176.060 176.060 176.881 -0.821 25509 4537 1 7 . 1 1 37 37 PRO CA C 37 63.234 63.234 63.294 -0.060 25509 4538 1 7 . 1 1 38 38 LEU N N 38 126.508 126.508 120.711 5.797 25509 4539 1 7 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.232 -0.093 25509 4540 1 7 . 1 1 38 38 LEU C C 38 176.490 176.490 177.926 -1.436 25509 4541 1 7 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.904 0.298 25509 4542 1 7 . 1 1 38 38 LEU H H 38 8.347 8.347 7.392 0.955 25509 4543 1 7 . 1 1 39 39 ASP N N 39 120.060 120.060 119.994 0.066 25509 4544 1 7 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.490 -0.119 25509 4545 1 7 . 1 1 39 39 ASP C C 39 175.525 175.525 176.032 -0.507 25509 4546 1 7 . 1 1 39 39 ASP CA C 39 53.948 53.948 56.034 -2.086 25509 4547 1 7 . 1 1 39 39 ASP H H 39 8.299 8.299 8.409 -0.110 25509 4548 1 7 . 1 1 40 40 ALA N N 40 123.020 123.020 121.065 1.955 25509 4549 1 7 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.440 -0.074 25509 4550 1 7 . 1 1 40 40 ALA C C 40 177.243 177.243 176.503 0.740 25509 4551 1 7 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.016 -0.433 25509 4552 1 7 . 1 1 40 40 ALA H H 40 7.972 7.972 7.655 0.317 25509 4553 1 7 . 1 1 41 41 LYS N N 41 120.582 120.582 125.523 -4.941 25509 4554 1 7 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.606 -0.256 25509 4555 1 7 . 1 1 41 41 LYS C C 41 175.874 175.874 175.196 0.678 25509 4556 1 7 . 1 1 41 41 LYS CA C 41 56.520 56.520 55.786 0.734 25509 4557 1 7 . 1 1 41 41 LYS H H 41 8.286 8.286 8.601 -0.315 25509 4558 1 7 . 1 1 42 42 ILE N N 42 119.815 119.815 119.589 0.226 25509 4559 1 7 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.982 -0.104 25509 4560 1 7 . 1 1 42 42 ILE C C 42 174.828 174.828 175.535 -0.707 25509 4561 1 7 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.242 -0.364 25509 4562 1 7 . 1 1 42 42 ILE H H 42 7.830 7.830 7.277 0.553 25509 4563 1 7 . 1 1 43 43 PHE N N 43 126.131 126.131 127.376 -1.245 25509 4564 1 7 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.958 -0.073 25509 4565 1 7 . 1 1 43 43 PHE C C 43 173.801 173.801 173.511 0.290 25509 4566 1 7 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.374 -0.101 25509 4567 1 7 . 1 1 43 43 PHE H H 43 8.780 8.780 8.649 0.131 25509 4568 1 7 . 1 1 44 44 ARG N N 44 122.879 122.879 123.938 -1.059 25509 4569 1 7 . 1 1 44 44 ARG HA H 44 5.506 5.506 4.763 0.743 25509 4570 1 7 . 1 1 44 44 ARG C C 44 175.196 175.196 174.431 0.765 25509 4571 1 7 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.292 -0.025 25509 4572 1 7 . 1 1 44 44 ARG H H 44 8.368 8.368 7.650 0.718 25509 4573 1 7 . 1 1 45 45 GLY N N 45 108.917 108.917 108.695 0.222 25509 4574 1 7 . 1 1 45 45 GLY C C 45 169.838 169.838 171.922 -2.084 25509 4575 1 7 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.232 0.609 25509 4576 1 7 . 1 1 45 45 GLY H H 45 7.714 7.714 6.801 0.913 25509 4577 1 7 . 1 1 46 46 GLN N N 46 113.774 113.774 116.842 -3.068 25509 4578 1 7 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.020 0.587 25509 4579 1 7 . 1 1 46 46 GLN C C 46 174.884 174.884 175.061 -0.177 25509 4580 1 7 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.860 -0.954 25509 4581 1 7 . 1 1 46 46 GLN H H 46 8.411 8.411 8.557 -0.146 25509 4582 1 7 . 1 1 47 47 VAL N N 47 120.282 120.282 122.791 -2.509 25509 4583 1 7 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.271 0.104 25509 4584 1 7 . 1 1 47 47 VAL C C 47 172.005 172.005 175.293 -3.288 25509 4585 1 7 . 1 1 47 47 VAL CA C 47 59.977 59.977 60.757 -0.780 25509 4586 1 7 . 1 1 47 47 VAL H H 47 9.499 9.499 8.544 0.955 25509 4587 1 7 . 1 1 49 49 SER C C 49 173.486 173.486 173.686 -0.200 25509 4588 1 7 . 1 1 49 49 SER CA C 49 57.077 57.077 59.407 -2.330 25509 4589 1 7 . 1 1 50 50 GLU N N 50 123.998 123.998 121.694 2.304 25509 4590 1 7 . 1 1 50 50 GLU C C 50 175.276 175.276 175.607 -0.331 25509 4591 1 7 . 1 1 50 50 GLU CA C 50 54.505 54.505 56.147 -1.642 25509 4592 1 7 . 1 1 50 50 GLU H H 50 8.748 8.748 8.502 0.246 25509 4593 1 7 . 1 1 51 51 ASP N N 51 123.737 123.737 121.840 1.897 25509 4594 1 7 . 1 1 51 51 ASP C C 51 176.320 176.320 176.459 -0.139 25509 4595 1 7 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.416 -0.506 25509 4596 1 7 . 1 1 51 51 ASP H H 51 8.479 8.479 8.285 0.194 25509 4597 1 7 . 1 1 52 52 LYS N N 52 114.578 114.578 118.681 -4.103 25509 4598 1 7 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.185 -0.053 25509 4599 1 7 . 1 1 52 52 LYS C C 52 175.538 175.538 177.262 -1.724 25509 4600 1 7 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.819 -0.730 25509 4601 1 7 . 1 1 52 52 LYS H H 52 7.677 7.677 8.382 -0.705 25509 4602 1 7 . 1 1 53 53 TYR N N 53 124.836 124.836 118.847 5.989 25509 4603 1 7 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.559 0.211 25509 4604 1 7 . 1 1 53 53 TYR C C 53 175.498 175.498 175.220 0.278 25509 4605 1 7 . 1 1 53 53 TYR CA C 53 53.507 53.507 58.026 -4.519 25509 4606 1 7 . 1 1 53 53 TYR H H 53 8.490 8.490 7.889 0.601 25509 4607 1 7 . 1 1 54 54 HIS N N 54 128.974 128.974 119.154 9.820 25509 4608 1 7 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.617 0.139 25509 4609 1 7 . 1 1 54 54 HIS C C 54 174.123 174.123 174.298 -0.175 25509 4610 1 7 . 1 1 54 54 HIS CA C 54 53.734 53.734 54.878 -1.144 25509 4611 1 7 . 1 1 54 54 HIS H H 54 8.622 8.622 8.102 0.520 25509 4612 1 7 . 1 1 56 56 GLU C C 56 178.356 178.356 177.905 0.451 25509 4613 1 7 . 1 1 56 56 GLU CA C 56 60.597 60.597 58.000 2.597 25509 4614 1 7 . 1 1 57 57 MET N N 57 113.971 113.971 119.013 -5.042 25509 4615 1 7 . 1 1 57 57 MET HA H 57 4.433 4.433 4.340 0.093 25509 4616 1 7 . 1 1 57 57 MET C C 57 180.454 180.454 178.032 2.422 25509 4617 1 7 . 1 1 57 57 MET CA C 57 55.453 55.453 58.086 -2.633 25509 4618 1 7 . 1 1 57 57 MET H H 57 6.807 6.807 8.393 -1.586 25509 4619 1 7 . 1 1 58 58 ARG N N 58 123.367 123.367 120.648 2.719 25509 4620 1 7 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.022 -0.258 25509 4621 1 7 . 1 1 58 58 ARG C C 58 179.588 179.588 178.116 1.472 25509 4622 1 7 . 1 1 58 58 ARG CA C 58 58.505 58.505 59.678 -1.173 25509 4623 1 7 . 1 1 58 58 ARG H H 58 7.658 7.658 7.963 -0.305 25509 4624 1 7 . 1 1 59 59 PHE N N 59 121.256 121.256 119.453 1.803 25509 4625 1 7 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.260 -0.702 25509 4626 1 7 . 1 1 59 59 PHE C C 59 175.915 175.915 176.121 -0.206 25509 4627 1 7 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.169 2.186 25509 4628 1 7 . 1 1 59 59 PHE H H 59 8.925 8.925 7.645 1.280 25509 4629 1 7 . 1 1 60 60 LEU N N 60 118.280 118.280 118.732 -0.452 25509 4630 1 7 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.538 -0.066 25509 4631 1 7 . 1 1 60 60 LEU C C 60 179.572 179.572 178.565 1.007 25509 4632 1 7 . 1 1 60 60 LEU CA C 60 57.365 57.365 56.925 0.440 25509 4633 1 7 . 1 1 60 60 LEU H H 60 7.587 7.587 7.193 0.394 25509 4634 1 7 . 1 1 61 61 SER N N 61 115.099 115.099 114.904 0.195 25509 4635 1 7 . 1 1 61 61 SER HA H 61 4.053 4.053 4.148 -0.095 25509 4636 1 7 . 1 1 61 61 SER C C 61 176.822 176.822 176.529 0.293 25509 4637 1 7 . 1 1 61 61 SER CA C 61 60.923 60.923 61.579 -0.656 25509 4638 1 7 . 1 1 61 61 SER H H 61 7.479 7.479 8.385 -0.906 25509 4639 1 7 . 1 1 62 62 LEU N N 62 123.881 123.881 118.367 5.514 25509 4640 1 7 . 1 1 62 62 LEU HA H 62 3.394 3.394 4.041 -0.647 25509 4641 1 7 . 1 1 62 62 LEU C C 62 177.319 177.319 177.631 -0.312 25509 4642 1 7 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.401 -0.524 25509 4643 1 7 . 1 1 62 62 LEU H H 62 7.302 7.302 7.297 0.005 25509 4644 1 7 . 1 1 63 63 VAL N N 63 115.745 115.745 118.668 -2.923 25509 4645 1 7 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.302 -0.623 25509 4646 1 7 . 1 1 63 63 VAL C C 63 178.913 178.913 177.969 0.944 25509 4647 1 7 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.508 -0.941 25509 4648 1 7 . 1 1 63 63 VAL H H 63 7.039 7.039 7.313 -0.274 25509 4649 1 7 . 1 1 64 64 SER N N 64 114.324 114.324 113.786 0.538 25509 4650 1 7 . 1 1 64 64 SER C C 64 176.376 176.376 175.190 1.186 25509 4651 1 7 . 1 1 64 64 SER CA C 64 60.925 60.925 61.081 -0.156 25509 4652 1 7 . 1 1 64 64 SER H H 64 7.205 7.205 7.539 -0.334 25509 4653 1 7 . 1 1 65 65 LYS N N 65 121.823 121.823 117.550 4.273 25509 4654 1 7 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.416 -0.341 25509 4655 1 7 . 1 1 65 65 LYS C C 65 178.346 178.346 176.731 1.615 25509 4656 1 7 . 1 1 65 65 LYS CA C 65 57.294 57.294 56.663 0.631 25509 4657 1 7 . 1 1 65 65 LYS H H 65 7.294 7.294 7.279 0.015 25509 4658 1 7 . 1 1 66 66 TRP N N 66 120.291 120.291 122.285 -1.994 25509 4659 1 7 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.696 -0.222 25509 4660 1 7 . 1 1 66 66 TRP CA C 66 56.009 56.009 56.007 0.002 25509 4661 1 7 . 1 1 66 66 TRP H H 66 7.834 7.834 7.676 0.158 25509 4662 1 7 . 1 1 69 69 HIS C C 69 176.475 176.475 174.321 2.154 25509 4663 1 7 . 1 1 69 69 HIS CA C 69 56.029 56.029 56.354 -0.325 25509 4664 1 7 . 1 1 70 70 ARG N N 70 121.733 121.733 122.413 -0.680 25509 4665 1 7 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.322 -0.825 25509 4666 1 7 . 1 1 70 70 ARG C C 70 175.806 175.806 176.821 -1.015 25509 4667 1 7 . 1 1 70 70 ARG CA C 70 57.342 57.342 57.765 -0.423 25509 4668 1 7 . 1 1 70 70 ARG H H 70 8.527 8.527 8.115 0.412 25509 4669 1 7 . 1 1 71 71 ASP N N 71 116.800 116.800 115.598 1.202 25509 4670 1 7 . 1 1 71 71 ASP C C 71 175.213 175.213 176.967 -1.754 25509 4671 1 7 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.007 -1.980 25509 4672 1 7 . 1 1 71 71 ASP H H 71 8.599 8.599 8.382 0.217 25509 4673 1 7 . 1 1 72 72 GLN N N 72 119.761 119.761 115.904 3.857 25509 4674 1 7 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.364 0.158 25509 4675 1 7 . 1 1 72 72 GLN C C 72 172.972 172.972 174.383 -1.411 25509 4676 1 7 . 1 1 72 72 GLN CA C 72 53.807 53.807 56.822 -3.015 25509 4677 1 7 . 1 1 72 72 GLN H H 72 7.629 7.629 8.054 -0.425 25509 4678 1 7 . 1 1 73 73 GLU N N 73 117.994 117.994 119.534 -1.540 25509 4679 1 7 . 1 1 73 73 GLU C C 73 176.011 176.011 175.134 0.877 25509 4680 1 7 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.453 -0.557 25509 4681 1 7 . 1 1 73 73 GLU H H 73 7.984 7.984 8.073 -0.089 25509 4682 1 7 . 1 1 74 74 TYR N N 74 120.098 120.098 122.305 -2.207 25509 4683 1 7 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.833 0.290 25509 4684 1 7 . 1 1 74 74 TYR C C 74 174.675 174.675 173.769 0.906 25509 4685 1 7 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.196 -0.454 25509 4686 1 7 . 1 1 74 74 TYR H H 74 8.860 8.860 8.538 0.322 25509 4687 1 7 . 1 1 75 75 GLU N N 75 123.539 123.539 124.143 -0.604 25509 4688 1 7 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.138 -0.245 25509 4689 1 7 . 1 1 75 75 GLU C C 75 175.614 175.614 174.643 0.971 25509 4690 1 7 . 1 1 75 75 GLU CA C 75 54.571 54.571 53.902 0.669 25509 4691 1 7 . 1 1 75 75 GLU H H 75 9.321 9.321 8.264 1.057 25509 4692 1 7 . 1 1 76 76 VAL N N 76 128.647 128.647 127.586 1.061 25509 4693 1 7 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.176 0.010 25509 4694 1 7 . 1 1 76 76 VAL C C 76 175.004 175.004 175.108 -0.104 25509 4695 1 7 . 1 1 76 76 VAL CA C 76 60.376 60.376 60.200 0.176 25509 4696 1 7 . 1 1 76 76 VAL H H 76 9.399 9.399 9.034 0.365 25509 4697 1 7 . 1 1 77 77 THR N N 77 126.297 126.297 123.639 2.658 25509 4698 1 7 . 1 1 77 77 THR HA H 77 5.223 5.223 4.627 0.596 25509 4699 1 7 . 1 1 77 77 THR C C 77 173.353 173.353 173.389 -0.036 25509 4700 1 7 . 1 1 77 77 THR CA C 77 61.442 61.442 62.663 -1.221 25509 4701 1 7 . 1 1 77 77 THR H H 77 9.597 9.597 8.874 0.723 25509 4702 1 7 . 1 1 78 78 TRP N N 78 125.914 125.914 128.334 -2.420 25509 4703 1 7 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.907 0.763 25509 4704 1 7 . 1 1 78 78 TRP C C 78 174.723 174.723 174.276 0.447 25509 4705 1 7 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.394 -7.189 25509 4706 1 7 . 1 1 78 78 TRP H H 78 9.173 9.173 9.151 0.022 25509 4707 1 7 . 1 1 79 79 TYR N N 79 120.962 120.962 124.493 -3.531 25509 4708 1 7 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.690 0.627 25509 4709 1 7 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.397 -1.698 25509 4710 1 7 . 1 1 79 79 TYR H H 79 9.322 9.322 9.292 0.030 25509 4711 1 7 . 1 1 80 80 ILE N N 80 125.201 125.201 123.608 1.593 25509 4712 1 7 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.237 1.692 25509 4713 1 7 . 1 1 80 80 ILE CA C 80 43.836 43.836 59.994 -16.158 25509 4714 1 7 . 1 1 80 80 ILE H H 80 9.634 9.634 8.155 1.479 25509 4715 1 7 . 1 1 86 86 THR HA H 86 3.629 3.629 3.777 -0.148 25509 4716 1 7 . 1 1 86 86 THR C C 86 175.273 175.273 175.914 -0.641 25509 4717 1 7 . 1 1 86 86 THR CA C 86 60.845 60.845 66.064 -5.220 25509 4718 1 7 . 1 1 87 87 LYS N N 87 121.904 121.904 122.322 -0.418 25509 4719 1 7 . 1 1 87 87 LYS HA H 87 3.943 3.943 3.929 0.014 25509 4720 1 7 . 1 1 87 87 LYS C C 87 178.969 178.969 178.601 0.368 25509 4721 1 7 . 1 1 87 87 LYS CA C 87 59.326 59.326 59.872 -0.546 25509 4722 1 7 . 1 1 87 87 LYS H H 87 7.728 7.728 7.431 0.297 25509 4723 1 7 . 1 1 88 88 CYS N N 88 121.877 121.877 118.311 3.566 25509 4724 1 7 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.169 -0.235 25509 4725 1 7 . 1 1 88 88 CYS C C 88 178.168 178.168 177.092 1.076 25509 4726 1 7 . 1 1 88 88 CYS CA C 88 65.201 65.201 62.649 2.552 25509 4727 1 7 . 1 1 88 88 CYS H H 88 8.717 8.717 7.495 1.222 25509 4728 1 7 . 1 1 89 89 ALA N N 89 120.872 120.872 122.114 -1.242 25509 4729 1 7 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.200 -0.311 25509 4730 1 7 . 1 1 89 89 ALA C C 89 179.782 179.782 179.388 0.394 25509 4731 1 7 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.302 -0.002 25509 4732 1 7 . 1 1 89 89 ALA H H 89 9.009 9.009 8.339 0.670 25509 4733 1 7 . 1 1 90 90 ARG N N 90 117.797 117.797 117.833 -0.036 25509 4734 1 7 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.088 -0.103 25509 4735 1 7 . 1 1 90 90 ARG C C 90 179.333 179.333 178.566 0.767 25509 4736 1 7 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.514 -0.161 25509 4737 1 7 . 1 1 90 90 ARG H H 90 7.912 7.912 7.638 0.274 25509 4738 1 7 . 1 1 91 91 ASP N N 91 121.892 121.892 119.977 1.915 25509 4739 1 7 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.573 -0.098 25509 4740 1 7 . 1 1 91 91 ASP C C 91 180.593 180.593 178.410 2.183 25509 4741 1 7 . 1 1 91 91 ASP CA C 91 57.329 57.329 56.730 0.599 25509 4742 1 7 . 1 1 91 91 ASP H H 91 8.413 8.413 7.987 0.426 25509 4743 1 7 . 1 1 92 92 MET N N 92 121.165 121.165 119.500 1.665 25509 4744 1 7 . 1 1 92 92 MET HA H 92 4.453 4.453 4.187 0.266 25509 4745 1 7 . 1 1 92 92 MET C C 92 177.594 177.594 177.954 -0.360 25509 4746 1 7 . 1 1 92 92 MET CA C 92 56.255 56.255 59.315 -3.060 25509 4747 1 7 . 1 1 92 92 MET H H 92 8.986 8.986 8.319 0.667 25509 4748 1 7 . 1 1 93 93 ALA N N 93 124.315 124.315 120.163 4.152 25509 4749 1 7 . 1 1 93 93 ALA HA H 93 3.818 3.818 4.005 -0.187 25509 4750 1 7 . 1 1 93 93 ALA C C 93 179.351 179.351 179.306 0.045 25509 4751 1 7 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.291 0.168 25509 4752 1 7 . 1 1 93 93 ALA H H 93 8.090 8.090 8.249 -0.159 25509 4753 1 7 . 1 1 94 94 THR N N 94 115.375 115.375 116.415 -1.040 25509 4754 1 7 . 1 1 94 94 THR HA H 94 3.854 3.854 3.989 -0.135 25509 4755 1 7 . 1 1 94 94 THR C C 94 175.971 175.971 176.265 -0.294 25509 4756 1 7 . 1 1 94 94 THR CA C 94 66.140 66.140 67.474 -1.334 25509 4757 1 7 . 1 1 94 94 THR H H 94 7.908 7.908 7.540 0.368 25509 4758 1 7 . 1 1 95 95 PHE N N 95 121.559 121.559 123.195 -1.636 25509 4759 1 7 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.536 -0.347 25509 4760 1 7 . 1 1 95 95 PHE C C 95 178.456 178.456 176.705 1.751 25509 4761 1 7 . 1 1 95 95 PHE CA C 95 61.307 61.307 60.892 0.415 25509 4762 1 7 . 1 1 95 95 PHE H H 95 7.845 7.845 7.766 0.079 25509 4763 1 7 . 1 1 96 96 LEU N N 96 120.614 120.614 119.932 0.682 25509 4764 1 7 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.615 0.136 25509 4765 1 7 . 1 1 96 96 LEU C C 96 179.846 179.846 178.802 1.044 25509 4766 1 7 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.834 -0.713 25509 4767 1 7 . 1 1 96 96 LEU H H 96 8.493 8.493 8.807 -0.314 25509 4768 1 7 . 1 1 97 97 GLN N N 97 118.135 118.135 118.155 -0.020 25509 4769 1 7 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.043 0.029 25509 4770 1 7 . 1 1 97 97 GLN C C 97 177.940 177.940 177.890 0.050 25509 4771 1 7 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.618 -0.629 25509 4772 1 7 . 1 1 97 97 GLN H H 97 7.971 7.971 8.325 -0.354 25509 4773 1 7 . 1 1 98 98 GLU N N 98 115.676 115.676 117.919 -2.243 25509 4774 1 7 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.103 0.119 25509 4775 1 7 . 1 1 98 98 GLU C C 98 176.364 176.364 177.659 -1.295 25509 4776 1 7 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.771 -1.306 25509 4777 1 7 . 1 1 98 98 GLU H H 98 7.473 7.473 7.921 -0.448 25509 4778 1 7 . 1 1 99 99 ASN N N 99 121.312 121.312 117.670 3.642 25509 4779 1 7 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.588 0.398 25509 4780 1 7 . 1 1 99 99 ASN C C 99 174.155 174.155 176.086 -1.931 25509 4781 1 7 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.571 -2.613 25509 4782 1 7 . 1 1 99 99 ASN H H 99 7.520 7.520 7.782 -0.262 25509 4783 1 7 . 1 1 100 100 THR N N 100 111.032 111.032 111.856 -0.824 25509 4784 1 7 . 1 1 100 100 THR HA H 100 4.438 4.438 3.826 0.612 25509 4785 1 7 . 1 1 100 100 THR C C 100 174.600 174.600 175.295 -0.695 25509 4786 1 7 . 1 1 100 100 THR CA C 100 63.613 63.613 65.658 -2.045 25509 4787 1 7 . 1 1 100 100 THR H H 100 7.985 7.985 8.152 -0.167 25509 4788 1 7 . 1 1 101 101 HIS C C 101 173.419 173.419 174.686 -1.267 25509 4789 1 7 . 1 1 101 101 HIS CA C 101 56.546 56.546 56.239 0.308 25509 4790 1 7 . 1 1 102 102 VAL N N 102 123.373 123.373 118.241 5.132 25509 4791 1 7 . 1 1 102 102 VAL HA H 102 4.643 4.643 4.956 -0.313 25509 4792 1 7 . 1 1 102 102 VAL C C 102 174.248 174.248 174.553 -0.305 25509 4793 1 7 . 1 1 102 102 VAL CA C 102 61.015 61.015 60.234 0.781 25509 4794 1 7 . 1 1 102 102 VAL H H 102 7.561 7.561 7.425 0.136 25509 4795 1 7 . 1 1 103 103 THR N N 103 119.261 119.261 119.681 -0.420 25509 4796 1 7 . 1 1 103 103 THR HA H 103 4.702 4.702 5.159 -0.457 25509 4797 1 7 . 1 1 103 103 THR C C 103 173.198 173.198 173.782 -0.584 25509 4798 1 7 . 1 1 103 103 THR CA C 103 59.956 59.956 59.736 0.220 25509 4799 1 7 . 1 1 103 103 THR H H 103 8.370 8.370 8.790 -0.420 25509 4800 1 7 . 1 1 104 104 LEU N N 104 128.085 128.085 124.666 3.419 25509 4801 1 7 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.985 0.138 25509 4802 1 7 . 1 1 104 104 LEU C C 104 175.009 175.009 175.586 -0.577 25509 4803 1 7 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.606 -0.375 25509 4804 1 7 . 1 1 104 104 LEU H H 104 9.373 9.373 8.628 0.745 25509 4805 1 7 . 1 1 105 105 THR N N 105 126.064 126.064 120.160 5.904 25509 4806 1 7 . 1 1 105 105 THR HA H 105 4.560 4.560 4.815 -0.255 25509 4807 1 7 . 1 1 105 105 THR C C 105 171.873 171.873 174.403 -2.530 25509 4808 1 7 . 1 1 105 105 THR CA C 105 61.546 61.546 61.591 -0.045 25509 4809 1 7 . 1 1 105 105 THR H H 105 8.561 8.561 9.095 -0.534 25509 4810 1 7 . 1 1 106 106 ILE N N 106 125.679 125.679 125.036 0.643 25509 4811 1 7 . 1 1 106 106 ILE HA H 106 4.207 4.207 5.166 -0.959 25509 4812 1 7 . 1 1 106 106 ILE C C 106 172.536 172.536 175.320 -2.784 25509 4813 1 7 . 1 1 106 106 ILE CA C 106 59.887 59.887 61.678 -1.791 25509 4814 1 7 . 1 1 106 106 ILE H H 106 9.190 9.190 8.430 0.760 25509 4815 1 7 . 1 1 107 107 PHE N N 107 126.337 126.337 123.194 3.143 25509 4816 1 7 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.414 -0.158 25509 4817 1 7 . 1 1 107 107 PHE C C 107 175.694 175.694 175.230 0.464 25509 4818 1 7 . 1 1 107 107 PHE CA C 107 56.342 56.342 56.647 -0.305 25509 4819 1 7 . 1 1 107 107 PHE H H 107 9.135 9.135 8.669 0.466 25509 4820 1 7 . 1 1 108 108 VAL N N 108 118.789 118.789 120.793 -2.004 25509 4821 1 7 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.556 0.464 25509 4822 1 7 . 1 1 108 108 VAL C C 108 176.539 176.539 174.766 1.773 25509 4823 1 7 . 1 1 108 108 VAL CA C 108 58.498 58.498 60.854 -2.356 25509 4824 1 7 . 1 1 108 108 VAL H H 108 8.936 8.936 8.261 0.675 25509 4825 1 7 . 1 1 109 109 ALA N N 109 129.108 129.108 129.005 0.103 25509 4826 1 7 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.922 -0.398 25509 4827 1 7 . 1 1 109 109 ALA C C 109 175.933 175.933 178.031 -2.098 25509 4828 1 7 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.352 2.686 25509 4829 1 7 . 1 1 109 109 ALA H H 109 8.509 8.509 8.888 -0.379 25509 4830 1 7 . 1 1 110 110 ARG N N 110 110.165 110.165 116.948 -6.783 25509 4831 1 7 . 1 1 110 110 ARG HA H 110 4.505 4.505 3.068 1.437 25509 4832 1 7 . 1 1 110 110 ARG C C 110 175.120 175.120 176.472 -1.352 25509 4833 1 7 . 1 1 110 110 ARG CA C 110 54.555 54.555 58.656 -4.101 25509 4834 1 7 . 1 1 110 110 ARG H H 110 6.677 6.677 8.103 -1.426 25509 4835 1 7 . 1 1 111 111 LEU N N 111 119.767 119.767 116.143 3.624 25509 4836 1 7 . 1 1 111 111 LEU HA H 111 4.515 4.515 3.696 0.819 25509 4837 1 7 . 1 1 111 111 LEU CA C 111 53.198 53.198 57.375 -4.177 25509 4838 1 7 . 1 1 111 111 LEU H H 111 7.031 7.031 7.926 -0.895 25509 4839 1 7 . 1 1 117 117 PRO C C 117 178.666 178.666 175.435 3.231 25509 4840 1 7 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.203 1.792 25509 4841 1 7 . 1 1 118 118 ASP N N 118 118.659 118.659 120.012 -1.353 25509 4842 1 7 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.870 -0.436 25509 4843 1 7 . 1 1 118 118 ASP C C 118 178.263 178.263 176.296 1.967 25509 4844 1 7 . 1 1 118 118 ASP CA C 118 56.740 56.740 54.197 2.542 25509 4845 1 7 . 1 1 118 118 ASP H H 118 8.215 8.215 8.184 0.031 25509 4846 1 7 . 1 1 119 119 TYR N N 119 122.818 122.818 121.975 0.843 25509 4847 1 7 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.214 -0.010 25509 4848 1 7 . 1 1 119 119 TYR C C 119 177.538 177.538 176.832 0.706 25509 4849 1 7 . 1 1 119 119 TYR CA C 119 60.942 60.942 61.249 -0.307 25509 4850 1 7 . 1 1 119 119 TYR H H 119 7.994 7.994 8.700 -0.706 25509 4851 1 7 . 1 1 120 120 GLN N N 120 117.143 117.143 118.499 -1.356 25509 4852 1 7 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.897 -0.390 25509 4853 1 7 . 1 1 120 120 GLN C C 120 177.702 177.702 177.869 -0.167 25509 4854 1 7 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.175 -0.189 25509 4855 1 7 . 1 1 120 120 GLN H H 120 7.898 7.898 8.941 -1.043 25509 4856 1 7 . 1 1 121 121 GLU N N 121 117.707 117.707 119.530 -1.823 25509 4857 1 7 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.061 -0.170 25509 4858 1 7 . 1 1 121 121 GLU C C 121 178.815 178.815 178.135 0.680 25509 4859 1 7 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.657 -0.054 25509 4860 1 7 . 1 1 121 121 GLU H H 121 7.829 7.829 7.942 -0.113 25509 4861 1 7 . 1 1 122 122 ALA N N 122 123.710 123.710 122.545 1.165 25509 4862 1 7 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.053 -0.153 25509 4863 1 7 . 1 1 122 122 ALA C C 122 180.296 180.296 179.633 0.663 25509 4864 1 7 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.449 0.500 25509 4865 1 7 . 1 1 122 122 ALA H H 122 7.881 7.881 7.645 0.236 25509 4866 1 7 . 1 1 123 123 LEU N N 123 119.307 119.307 117.742 1.565 25509 4867 1 7 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.795 -0.004 25509 4868 1 7 . 1 1 123 123 LEU C C 123 179.075 179.075 178.596 0.479 25509 4869 1 7 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.475 0.062 25509 4870 1 7 . 1 1 123 123 LEU H H 123 8.073 8.073 7.819 0.254 25509 4871 1 7 . 1 1 124 124 ARG N N 124 118.146 118.146 117.844 0.302 25509 4872 1 7 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.848 -0.016 25509 4873 1 7 . 1 1 124 124 ARG C C 124 179.745 179.745 178.440 1.305 25509 4874 1 7 . 1 1 124 124 ARG CA C 124 60.155 60.155 59.950 0.205 25509 4875 1 7 . 1 1 124 124 ARG H H 124 8.074 8.074 7.492 0.582 25509 4876 1 7 . 1 1 125 125 SER N N 125 117.399 117.399 114.849 2.550 25509 4877 1 7 . 1 1 125 125 SER HA H 125 4.151 4.151 4.263 -0.112 25509 4878 1 7 . 1 1 125 125 SER C C 125 176.389 176.389 176.486 -0.097 25509 4879 1 7 . 1 1 125 125 SER CA C 125 54.752 54.752 61.118 -6.366 25509 4880 1 7 . 1 1 125 125 SER H H 125 8.471 8.471 7.405 1.066 25509 4881 1 7 . 1 1 126 126 LEU N N 126 125.924 125.924 122.098 3.826 25509 4882 1 7 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.100 -0.130 25509 4883 1 7 . 1 1 126 126 LEU C C 126 177.721 177.721 177.963 -0.242 25509 4884 1 7 . 1 1 126 126 LEU CA C 126 57.423 57.423 57.424 -0.001 25509 4885 1 7 . 1 1 126 126 LEU H H 126 7.621 7.621 7.648 -0.027 25509 4886 1 7 . 1 1 127 127 ALA N N 127 122.932 122.932 120.552 2.380 25509 4887 1 7 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.120 0.556 25509 4888 1 7 . 1 1 127 127 ALA C C 127 182.614 182.614 179.801 2.813 25509 4889 1 7 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.473 -0.499 25509 4890 1 7 . 1 1 127 127 ALA H H 127 7.973 7.973 8.396 -0.423 25509 4891 1 7 . 1 1 128 128 GLN N N 128 120.408 120.408 119.102 1.306 25509 4892 1 7 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.046 -0.017 25509 4893 1 7 . 1 1 128 128 GLN C C 128 177.613 177.613 177.312 0.301 25509 4894 1 7 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.076 -0.025 25509 4895 1 7 . 1 1 128 128 GLN H H 128 8.690 8.690 8.009 0.681 25509 4896 1 7 . 1 1 129 129 ALA N N 129 120.391 120.391 121.116 -0.725 25509 4897 1 7 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.199 0.084 25509 4898 1 7 . 1 1 129 129 ALA C C 129 177.019 177.019 177.498 -0.479 25509 4899 1 7 . 1 1 129 129 ALA CA C 129 52.171 52.171 53.373 -1.202 25509 4900 1 7 . 1 1 129 129 ALA H H 129 7.542 7.542 7.488 0.054 25509 4901 1 7 . 1 1 130 130 GLY N N 130 104.533 104.533 102.003 2.530 25509 4902 1 7 . 1 1 130 130 GLY C C 130 175.291 175.291 172.363 2.928 25509 4903 1 7 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.482 -0.207 25509 4904 1 7 . 1 1 130 130 GLY H H 130 7.760 7.760 7.306 0.454 25509 4905 1 7 . 1 1 131 131 ALA N N 131 124.759 124.759 122.445 2.314 25509 4906 1 7 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.519 -0.932 25509 4907 1 7 . 1 1 131 131 ALA C C 131 177.045 177.045 175.621 1.424 25509 4908 1 7 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.448 1.166 25509 4909 1 7 . 1 1 131 131 ALA H H 131 7.543 7.543 7.739 -0.196 25509 4910 1 7 . 1 1 132 132 THR N N 132 120.565 120.565 116.051 4.514 25509 4911 1 7 . 1 1 132 132 THR HA H 132 4.293 4.293 4.580 -0.287 25509 4912 1 7 . 1 1 132 132 THR C C 132 172.940 172.940 172.711 0.229 25509 4913 1 7 . 1 1 132 132 THR CA C 132 62.285 62.285 61.720 0.565 25509 4914 1 7 . 1 1 132 132 THR H H 132 7.983 7.983 8.781 -0.798 25509 4915 1 7 . 1 1 133 133 ILE N N 133 128.874 128.874 126.622 2.252 25509 4916 1 7 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.643 0.062 25509 4917 1 7 . 1 1 133 133 ILE C C 133 173.707 173.707 174.875 -1.168 25509 4918 1 7 . 1 1 133 133 ILE CA C 133 59.898 59.898 59.882 0.016 25509 4919 1 7 . 1 1 133 133 ILE H H 133 8.641 8.641 8.399 0.242 25509 4920 1 7 . 1 1 134 134 LYS N N 134 125.904 125.904 125.689 0.215 25509 4921 1 7 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.531 -0.041 25509 4922 1 7 . 1 1 134 134 LYS C C 134 174.736 174.736 175.028 -0.292 25509 4923 1 7 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.475 0.431 25509 4924 1 7 . 1 1 134 134 LYS H H 134 8.878 8.878 7.736 1.142 25509 4925 1 7 . 1 1 135 135 ILE N N 135 121.444 121.444 122.571 -1.127 25509 4926 1 7 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.341 0.303 25509 4927 1 7 . 1 1 135 135 ILE C C 135 177.563 177.563 177.421 0.142 25509 4928 1 7 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.939 -4.105 25509 4929 1 7 . 1 1 135 135 ILE H H 135 8.601 8.601 8.762 -0.161 25509 4930 1 7 . 1 1 136 136 MET N N 136 124.557 124.557 122.090 2.467 25509 4931 1 7 . 1 1 136 136 MET HA H 136 3.741 3.741 4.523 -0.782 25509 4932 1 7 . 1 1 136 136 MET C C 136 174.070 174.070 174.734 -0.664 25509 4933 1 7 . 1 1 136 136 MET CA C 136 58.298 58.298 56.780 1.518 25509 4934 1 7 . 1 1 136 136 MET H H 136 8.550 8.550 8.186 0.364 25509 4935 1 7 . 1 1 137 137 ASN N N 137 126.678 126.678 122.092 4.586 25509 4936 1 7 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.098 -0.090 25509 4937 1 7 . 1 1 137 137 ASN C C 137 174.733 174.733 176.028 -1.295 25509 4938 1 7 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.070 -1.176 25509 4939 1 7 . 1 1 137 137 ASN H H 137 9.480 9.480 8.075 1.405 25509 4940 1 7 . 1 1 138 138 TYR N N 138 123.587 123.587 122.870 0.717 25509 4941 1 7 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.354 -0.513 25509 4942 1 7 . 1 1 138 138 TYR C C 138 176.154 176.154 176.468 -0.314 25509 4943 1 7 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.311 1.500 25509 4944 1 7 . 1 1 138 138 TYR H H 138 9.914 9.914 8.579 1.335 25509 4945 1 7 . 1 1 139 139 ASP N N 139 116.024 116.024 116.912 -0.888 25509 4946 1 7 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.354 -0.238 25509 4947 1 7 . 1 1 139 139 ASP C C 139 179.067 179.067 177.520 1.547 25509 4948 1 7 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.093 0.398 25509 4949 1 7 . 1 1 139 139 ASP H H 139 8.976 8.976 8.556 0.420 25509 4950 1 7 . 1 1 140 140 GLU N N 140 118.087 118.087 120.111 -2.024 25509 4951 1 7 . 1 1 140 140 GLU HA H 140 3.826 3.826 3.977 -0.151 25509 4952 1 7 . 1 1 140 140 GLU C C 140 178.692 178.692 177.857 0.835 25509 4953 1 7 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.257 2.343 25509 4954 1 7 . 1 1 140 140 GLU H H 140 7.540 7.540 8.142 -0.602 25509 4955 1 7 . 1 1 141 141 PHE N N 141 119.608 119.608 120.004 -0.396 25509 4956 1 7 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.019 -0.231 25509 4957 1 7 . 1 1 141 141 PHE C C 141 176.881 176.881 177.909 -1.028 25509 4958 1 7 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.575 1.128 25509 4959 1 7 . 1 1 141 141 PHE H H 141 8.032 8.032 7.555 0.477 25509 4960 1 7 . 1 1 142 142 GLN N N 142 118.759 118.759 118.951 -0.192 25509 4961 1 7 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.019 0.002 25509 4962 1 7 . 1 1 142 142 GLN C C 142 177.945 177.945 177.943 0.002 25509 4963 1 7 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.202 -0.423 25509 4964 1 7 . 1 1 142 142 GLN H H 142 8.223 8.223 8.436 -0.213 25509 4965 1 7 . 1 1 143 143 HIS N N 143 120.774 120.774 121.266 -0.492 25509 4966 1 7 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.422 -0.444 25509 4967 1 7 . 1 1 143 143 HIS C C 143 177.147 177.147 177.282 -0.135 25509 4968 1 7 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.469 -0.102 25509 4969 1 7 . 1 1 143 143 HIS H H 143 7.924 7.924 7.574 0.350 25509 4970 1 7 . 1 1 144 144 CYS N N 144 117.600 117.600 119.465 -1.865 25509 4971 1 7 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.488 -0.650 25509 4972 1 7 . 1 1 144 144 CYS C C 144 176.233 176.233 177.002 -0.769 25509 4973 1 7 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.050 -0.198 25509 4974 1 7 . 1 1 144 144 CYS H H 144 7.892 7.892 8.150 -0.258 25509 4975 1 7 . 1 1 145 145 TRP N N 145 120.806 120.806 122.009 -1.203 25509 4976 1 7 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.802 -0.533 25509 4977 1 7 . 1 1 145 145 TRP C C 145 177.085 177.085 177.289 -0.204 25509 4978 1 7 . 1 1 145 145 TRP CA C 145 59.453 59.453 59.960 -0.507 25509 4979 1 7 . 1 1 145 145 TRP H H 145 8.201 8.201 8.554 -0.353 25509 4980 1 7 . 1 1 146 146 SER N N 146 111.555 111.555 113.858 -2.303 25509 4981 1 7 . 1 1 146 146 SER C C 146 176.199 176.199 176.696 -0.497 25509 4982 1 7 . 1 1 146 146 SER CA C 146 60.827 60.827 61.172 -0.345 25509 4983 1 7 . 1 1 146 146 SER H H 146 8.032 8.032 7.746 0.286 25509 4984 1 7 . 1 1 147 147 LYS N N 147 115.563 115.563 123.207 -7.644 25509 4985 1 7 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.115 -0.141 25509 4986 1 7 . 1 1 147 147 LYS C C 147 177.448 177.448 178.126 -0.678 25509 4987 1 7 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.908 -2.444 25509 4988 1 7 . 1 1 147 147 LYS H H 147 7.684 7.684 7.607 0.077 25509 4989 1 7 . 1 1 148 148 PHE N N 148 113.648 113.648 117.208 -3.560 25509 4990 1 7 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.132 0.345 25509 4991 1 7 . 1 1 148 148 PHE C C 148 174.293 174.293 176.206 -1.913 25509 4992 1 7 . 1 1 148 148 PHE CA C 148 58.180 58.180 59.914 -1.734 25509 4993 1 7 . 1 1 148 148 PHE H H 148 8.134 8.134 8.136 -0.002 25509 4994 1 7 . 1 1 149 149 VAL N N 149 119.139 119.139 116.912 2.227 25509 4995 1 7 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.546 0.563 25509 4996 1 7 . 1 1 149 149 VAL C C 149 175.690 175.690 175.797 -0.107 25509 4997 1 7 . 1 1 149 149 VAL CA C 149 60.309 60.309 61.562 -1.253 25509 4998 1 7 . 1 1 149 149 VAL H H 149 6.787 6.787 7.077 -0.290 25509 4999 1 7 . 1 1 150 150 TYR N N 150 129.042 129.042 117.469 11.573 25509 5000 1 7 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.482 0.082 25509 5001 1 7 . 1 1 150 150 TYR C C 150 173.826 173.826 177.515 -3.689 25509 5002 1 7 . 1 1 150 150 TYR CA C 150 55.580 55.580 58.512 -2.932 25509 5003 1 7 . 1 1 150 150 TYR H H 150 8.552 8.552 7.875 0.677 25509 5004 1 7 . 1 1 151 151 SER N N 151 119.931 119.931 115.803 4.128 25509 5005 1 7 . 1 1 151 151 SER HA H 151 4.585 4.585 4.095 0.490 25509 5006 1 7 . 1 1 151 151 SER C C 151 176.209 176.209 174.333 1.876 25509 5007 1 7 . 1 1 151 151 SER CA C 151 57.497 57.497 60.784 -3.287 25509 5008 1 7 . 1 1 151 151 SER H H 151 7.787 7.787 8.068 -0.281 25509 5009 1 7 . 1 1 152 152 GLN N N 152 120.381 120.381 117.428 2.953 25509 5010 1 7 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.054 -0.339 25509 5011 1 7 . 1 1 152 152 GLN C C 152 175.787 175.787 175.334 0.453 25509 5012 1 7 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.481 -0.005 25509 5013 1 7 . 1 1 152 152 GLN H H 152 8.386 8.386 8.092 0.294 25509 5014 1 7 . 1 1 153 153 GLY N N 153 106.086 106.086 104.049 2.037 25509 5015 1 7 . 1 1 153 153 GLY C C 153 174.309 174.309 173.439 0.870 25509 5016 1 7 . 1 1 153 153 GLY CA C 153 44.902 44.902 44.819 0.083 25509 5017 1 7 . 1 1 153 153 GLY H H 153 8.047 8.047 8.553 -0.506 25509 5018 1 7 . 1 1 154 154 ALA N N 154 125.790 125.790 123.089 2.701 25509 5019 1 7 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.605 -0.023 25509 5020 1 7 . 1 1 154 154 ALA C C 154 176.022 176.022 176.262 -0.240 25509 5021 1 7 . 1 1 154 154 ALA CA C 154 49.894 49.894 50.193 -0.299 25509 5022 1 7 . 1 1 154 154 ALA H H 154 7.562 7.562 8.043 -0.481 25509 5023 1 7 . 1 1 155 155 PRO C C 155 175.578 175.578 175.171 0.407 25509 5024 1 7 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.423 -0.762 25509 5025 1 7 . 1 1 156 156 PHE N N 156 121.116 121.116 124.282 -3.166 25509 5026 1 7 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.052 -1.706 25509 5027 1 7 . 1 1 156 156 PHE C C 156 174.254 174.254 173.957 0.297 25509 5028 1 7 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.126 -0.712 25509 5029 1 7 . 1 1 156 156 PHE H H 156 8.288 8.288 8.139 0.149 25509 5030 1 7 . 1 1 157 157 GLN N N 157 129.600 129.600 125.979 3.621 25509 5031 1 7 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.520 -0.214 25509 5032 1 7 . 1 1 157 157 GLN C C 157 171.628 171.628 173.821 -2.193 25509 5033 1 7 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.947 -2.432 25509 5034 1 7 . 1 1 157 157 GLN H H 157 7.205 7.205 7.880 -0.675 25509 5035 1 7 . 1 1 158 158 PRO C C 158 175.224 175.224 175.480 -0.256 25509 5036 1 7 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.379 -0.656 25509 5037 1 7 . 1 1 159 159 TRP N N 159 117.795 117.795 120.653 -2.858 25509 5038 1 7 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.826 -0.128 25509 5039 1 7 . 1 1 159 159 TRP C C 159 175.906 175.906 176.221 -0.315 25509 5040 1 7 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.754 -2.226 25509 5041 1 7 . 1 1 159 159 TRP H H 159 5.628 5.628 7.347 -1.719 25509 5042 1 7 . 1 1 160 160 ASP N N 160 122.363 122.363 122.950 -0.587 25509 5043 1 7 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.660 -0.337 25509 5044 1 7 . 1 1 160 160 ASP C C 160 177.598 177.598 176.334 1.264 25509 5045 1 7 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.421 0.974 25509 5046 1 7 . 1 1 160 160 ASP H H 160 8.766 8.766 8.608 0.158 25509 5047 1 7 . 1 1 161 161 GLY N N 161 111.982 111.982 108.476 3.506 25509 5048 1 7 . 1 1 161 161 GLY C C 161 173.833 173.833 175.055 -1.222 25509 5049 1 7 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.359 0.023 25509 5050 1 7 . 1 1 161 161 GLY H H 161 8.887 8.887 8.234 0.653 25509 5051 1 7 . 1 1 162 162 LEU N N 162 121.971 121.971 121.394 0.577 25509 5052 1 7 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.124 0.148 25509 5053 1 7 . 1 1 162 162 LEU C C 162 179.345 179.345 177.310 2.035 25509 5054 1 7 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.685 2.869 25509 5055 1 7 . 1 1 162 162 LEU H H 162 7.078 7.078 8.156 -1.078 25509 5056 1 7 . 1 1 163 163 ASP N N 163 118.366 118.366 118.787 -0.421 25509 5057 1 7 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.428 0.031 25509 5058 1 7 . 1 1 163 163 ASP C C 163 178.182 178.182 178.980 -0.798 25509 5059 1 7 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.376 -0.268 25509 5060 1 7 . 1 1 163 163 ASP H H 163 8.679 8.679 8.506 0.173 25509 5061 1 7 . 1 1 164 164 GLU N N 164 121.998 121.998 118.930 3.068 25509 5062 1 7 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.112 -0.177 25509 5063 1 7 . 1 1 164 164 GLU C C 164 180.355 180.355 178.943 1.412 25509 5064 1 7 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.215 0.399 25509 5065 1 7 . 1 1 164 164 GLU H H 164 8.374 8.374 8.532 -0.158 25509 5066 1 7 . 1 1 165 165 HIS N N 165 120.268 120.268 118.756 1.512 25509 5067 1 7 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.570 0.032 25509 5068 1 7 . 1 1 165 165 HIS C C 165 178.924 178.924 177.895 1.029 25509 5069 1 7 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.124 0.269 25509 5070 1 7 . 1 1 165 165 HIS H H 165 8.707 8.707 8.359 0.348 25509 5071 1 7 . 1 1 166 166 SER N N 166 118.252 118.252 116.387 1.865 25509 5072 1 7 . 1 1 166 166 SER HA H 166 4.400 4.400 4.532 -0.132 25509 5073 1 7 . 1 1 166 166 SER C C 166 177.421 177.421 176.808 0.613 25509 5074 1 7 . 1 1 166 166 SER CA C 166 63.202 63.202 61.929 1.273 25509 5075 1 7 . 1 1 166 166 SER H H 166 8.649 8.649 8.824 -0.175 25509 5076 1 7 . 1 1 167 167 GLN N N 167 121.647 121.647 120.373 1.274 25509 5077 1 7 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.213 -0.037 25509 5078 1 7 . 1 1 167 167 GLN C C 167 179.643 179.643 177.864 1.779 25509 5079 1 7 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.196 0.586 25509 5080 1 7 . 1 1 167 167 GLN H H 167 8.645 8.645 7.942 0.703 25509 5081 1 7 . 1 1 168 168 ALA N N 168 124.242 124.242 123.431 0.811 25509 5082 1 7 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.126 0.123 25509 5083 1 7 . 1 1 168 168 ALA C C 168 181.949 181.949 179.625 2.324 25509 5084 1 7 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.764 0.116 25509 5085 1 7 . 1 1 168 168 ALA H H 168 8.092 8.092 7.676 0.416 25509 5086 1 7 . 1 1 169 169 LEU N N 169 120.509 120.509 118.509 2.000 25509 5087 1 7 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.080 0.007 25509 5088 1 7 . 1 1 169 169 LEU C C 169 179.159 179.159 178.891 0.268 25509 5089 1 7 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.315 0.288 25509 5090 1 7 . 1 1 169 169 LEU H H 169 8.526 8.526 8.387 0.139 25509 5091 1 7 . 1 1 170 170 SER N N 170 117.410 117.410 114.957 2.453 25509 5092 1 7 . 1 1 170 170 SER HA H 170 4.128 4.128 4.174 -0.046 25509 5093 1 7 . 1 1 170 170 SER C C 170 178.370 178.370 177.066 1.304 25509 5094 1 7 . 1 1 170 170 SER CA C 170 62.240 62.240 61.915 0.325 25509 5095 1 7 . 1 1 170 170 SER H H 170 8.853 8.853 8.594 0.259 25509 5096 1 7 . 1 1 171 171 GLY N N 171 111.058 111.058 108.764 2.294 25509 5097 1 7 . 1 1 171 171 GLY C C 171 176.376 176.376 175.992 0.384 25509 5098 1 7 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.799 -0.126 25509 5099 1 7 . 1 1 171 171 GLY H H 171 8.175 8.175 8.301 -0.126 25509 5100 1 7 . 1 1 172 172 ARG N N 172 123.131 123.131 121.164 1.967 25509 5101 1 7 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.164 0.027 25509 5102 1 7 . 1 1 172 172 ARG C C 172 178.807 178.807 178.695 0.112 25509 5103 1 7 . 1 1 172 172 ARG CA C 172 58.189 58.189 56.698 1.491 25509 5104 1 7 . 1 1 172 172 ARG H H 172 7.578 7.578 7.564 0.014 25509 5105 1 7 . 1 1 173 173 LEU N N 173 120.594 120.594 120.741 -0.147 25509 5106 1 7 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.233 -0.241 25509 5107 1 7 . 1 1 173 173 LEU C C 173 178.396 178.396 178.355 0.041 25509 5108 1 7 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.281 -0.820 25509 5109 1 7 . 1 1 173 173 LEU H H 173 8.813 8.813 7.790 1.023 25509 5110 1 7 . 1 1 174 174 GLY N N 174 105.456 105.456 107.024 -1.568 25509 5111 1 7 . 1 1 174 174 GLY C C 174 176.170 176.170 175.991 0.179 25509 5112 1 7 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.874 -0.233 25509 5113 1 7 . 1 1 174 174 GLY H H 174 8.221 8.221 7.829 0.392 25509 5114 1 7 . 1 1 175 175 GLU N N 175 120.171 120.171 122.028 -1.857 25509 5115 1 7 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.028 0.052 25509 5116 1 7 . 1 1 175 175 GLU C C 175 179.100 179.100 178.760 0.340 25509 5117 1 7 . 1 1 175 175 GLU CA C 175 58.450 58.450 59.168 -0.718 25509 5118 1 7 . 1 1 175 175 GLU H H 175 7.478 7.478 7.746 -0.268 25509 5119 1 7 . 1 1 176 176 ILE N N 176 119.642 119.642 119.647 -0.005 25509 5120 1 7 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.792 -0.112 25509 5121 1 7 . 1 1 176 176 ILE C C 176 177.560 177.560 177.267 0.293 25509 5122 1 7 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.150 -0.674 25509 5123 1 7 . 1 1 176 176 ILE H H 176 7.755 7.755 7.803 -0.048 25509 5124 1 7 . 1 1 177 177 LEU N N 177 116.019 116.019 117.784 -1.765 25509 5125 1 7 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.298 -0.206 25509 5126 1 7 . 1 1 177 177 LEU C C 177 177.520 177.520 177.615 -0.095 25509 5127 1 7 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.547 -1.295 25509 5128 1 7 . 1 1 177 177 LEU H H 177 8.067 8.067 7.198 0.869 25509 5129 1 7 . 1 1 178 178 ARG N N 178 118.755 118.755 118.722 0.033 25509 5130 1 7 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.202 -0.063 25509 5131 1 7 . 1 1 178 178 ARG C C 178 175.953 175.953 177.132 -1.179 25509 5132 1 7 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.709 -1.026 25509 5133 1 7 . 1 1 178 178 ARG H H 178 7.566 7.566 7.556 0.010 25509 5134 1 7 . 1 1 179 179 HIS N N 179 120.648 120.648 120.089 0.559 25509 5135 1 7 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.698 -0.086 25509 5136 1 7 . 1 1 179 179 HIS C C 179 174.365 174.365 174.212 0.153 25509 5137 1 7 . 1 1 179 179 HIS CA C 179 55.781 55.781 56.891 -1.109 25509 5138 1 7 . 1 1 179 179 HIS H H 179 8.140 8.140 8.285 -0.145 25509 5139 1 8 . 1 1 2 2 ASP N N 2 123.241 123.241 123.749 -0.508 25509 5140 1 8 . 1 1 2 2 ASP C C 2 174.657 174.657 174.582 0.075 25509 5141 1 8 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.569 -0.469 25509 5142 1 8 . 1 1 2 2 ASP H H 2 8.114 8.114 8.333 -0.219 25509 5143 1 8 . 1 1 3 3 PRO C C 3 178.464 178.464 175.810 2.654 25509 5144 1 8 . 1 1 3 3 PRO CA C 3 66.499 66.499 62.785 3.714 25509 5145 1 8 . 1 1 4 4 ASP N N 4 118.258 118.258 122.754 -4.496 25509 5146 1 8 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.763 -0.315 25509 5147 1 8 . 1 1 4 4 ASP C C 4 178.808 178.808 176.423 2.385 25509 5148 1 8 . 1 1 4 4 ASP CA C 4 57.247 57.247 54.789 2.458 25509 5149 1 8 . 1 1 4 4 ASP H H 4 8.509 8.509 8.103 0.406 25509 5150 1 8 . 1 1 5 5 THR N N 5 119.780 119.780 114.097 5.683 25509 5151 1 8 . 1 1 5 5 THR HA H 5 3.859 3.859 4.352 -0.493 25509 5152 1 8 . 1 1 5 5 THR C C 5 177.699 177.699 174.836 2.863 25509 5153 1 8 . 1 1 5 5 THR CA C 5 66.182 66.182 63.788 2.394 25509 5154 1 8 . 1 1 5 5 THR H H 5 8.150 8.150 8.289 -0.139 25509 5155 1 8 . 1 1 6 6 PHE N N 6 124.329 124.329 128.239 -3.910 25509 5156 1 8 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.540 -0.336 25509 5157 1 8 . 1 1 6 6 PHE C C 6 176.665 176.665 177.345 -0.680 25509 5158 1 8 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.961 -0.161 25509 5159 1 8 . 1 1 6 6 PHE H H 6 8.297 8.297 8.363 -0.066 25509 5160 1 8 . 1 1 7 7 SER N N 7 116.185 116.185 115.664 0.521 25509 5161 1 8 . 1 1 7 7 SER C C 7 176.138 176.138 176.049 0.089 25509 5162 1 8 . 1 1 7 7 SER CA C 7 61.480 61.480 61.777 -0.297 25509 5163 1 8 . 1 1 7 7 SER H H 7 8.752 8.752 8.828 -0.076 25509 5164 1 8 . 1 1 8 8 TYR N N 8 118.689 118.689 121.981 -3.292 25509 5165 1 8 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.338 -0.291 25509 5166 1 8 . 1 1 8 8 TYR C C 8 177.077 177.077 178.279 -1.202 25509 5167 1 8 . 1 1 8 8 TYR CA C 8 60.282 60.282 61.678 -1.396 25509 5168 1 8 . 1 1 8 8 TYR H H 8 7.967 7.967 8.210 -0.243 25509 5169 1 8 . 1 1 9 9 ASN N N 9 113.034 113.034 117.086 -4.052 25509 5170 1 8 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.546 -0.316 25509 5171 1 8 . 1 1 9 9 ASN C C 9 175.101 175.101 176.415 -1.314 25509 5172 1 8 . 1 1 9 9 ASN CA C 9 56.087 56.087 55.198 0.889 25509 5173 1 8 . 1 1 9 9 ASN H H 9 7.577 7.577 7.892 -0.315 25509 5174 1 8 . 1 1 10 10 PHE N N 10 117.719 117.719 116.554 1.165 25509 5175 1 8 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.699 -0.823 25509 5176 1 8 . 1 1 10 10 PHE C C 10 171.880 171.880 175.680 -3.800 25509 5177 1 8 . 1 1 10 10 PHE CA C 10 58.762 58.762 56.490 2.272 25509 5178 1 8 . 1 1 10 10 PHE H H 10 8.655 8.655 8.277 0.378 25509 5179 1 8 . 1 1 11 11 ASN N N 11 114.885 114.885 118.953 -4.068 25509 5180 1 8 . 1 1 11 11 ASN C C 11 174.730 174.730 174.634 0.096 25509 5181 1 8 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.482 -0.043 25509 5182 1 8 . 1 1 11 11 ASN H H 11 6.097 6.097 7.656 -1.559 25509 5183 1 8 . 1 1 12 12 ASN N N 12 121.039 121.039 116.433 4.606 25509 5184 1 8 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.576 -0.211 25509 5185 1 8 . 1 1 12 12 ASN C C 12 174.578 174.578 173.894 0.684 25509 5186 1 8 . 1 1 12 12 ASN CA C 12 51.417 51.417 53.554 -2.137 25509 5187 1 8 . 1 1 12 12 ASN H H 12 6.688 6.688 8.800 -2.112 25509 5188 1 8 . 1 1 13 13 ARG N N 13 119.646 119.646 118.660 0.986 25509 5189 1 8 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.421 -0.833 25509 5190 1 8 . 1 1 13 13 ARG C C 13 175.049 175.049 173.704 1.345 25509 5191 1 8 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.560 1.770 25509 5192 1 8 . 1 1 13 13 ARG H H 13 7.589 7.589 7.620 -0.031 25509 5193 1 8 . 1 1 14 14 PRO C C 14 176.477 176.477 176.708 -0.231 25509 5194 1 8 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.101 1.079 25509 5195 1 8 . 1 1 15 15 ILE N N 15 120.304 120.304 119.378 0.926 25509 5196 1 8 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.844 0.439 25509 5197 1 8 . 1 1 15 15 ILE C C 15 175.956 175.956 176.509 -0.553 25509 5198 1 8 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.255 -2.229 25509 5199 1 8 . 1 1 15 15 ILE H H 15 7.827 7.827 7.955 -0.128 25509 5200 1 8 . 1 1 16 16 LEU N N 16 124.585 124.585 118.838 5.747 25509 5201 1 8 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.624 -0.323 25509 5202 1 8 . 1 1 16 16 LEU C C 16 177.213 177.213 175.901 1.312 25509 5203 1 8 . 1 1 16 16 LEU CA C 16 55.089 55.089 53.873 1.216 25509 5204 1 8 . 1 1 16 16 LEU H H 16 8.283 8.283 7.553 0.730 25509 5205 1 8 . 1 1 17 17 SER N N 17 115.176 115.176 115.328 -0.152 25509 5206 1 8 . 1 1 17 17 SER C C 17 173.733 173.733 174.228 -0.495 25509 5207 1 8 . 1 1 17 17 SER CA C 17 57.371 57.371 57.623 -0.252 25509 5208 1 8 . 1 1 17 17 SER H H 17 7.782 7.782 8.112 -0.330 25509 5209 1 8 . 1 1 18 18 ARG N N 18 122.072 122.072 118.900 3.172 25509 5210 1 8 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.136 0.068 25509 5211 1 8 . 1 1 18 18 ARG C C 18 176.524 176.524 174.848 1.676 25509 5212 1 8 . 1 1 18 18 ARG CA C 18 55.944 55.944 56.894 -0.950 25509 5213 1 8 . 1 1 18 18 ARG H H 18 8.318 8.318 8.567 -0.249 25509 5214 1 8 . 1 1 21 21 THR HA H 21 4.574 4.574 4.508 0.066 25509 5215 1 8 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.090 -0.060 25509 5216 1 8 . 1 1 22 22 VAL CA C 22 61.772 61.772 60.514 1.258 25509 5217 1 8 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.398 -0.319 25509 5218 1 8 . 1 1 24 24 LEU C C 24 174.326 174.326 176.456 -2.130 25509 5219 1 8 . 1 1 24 24 LEU CA C 24 54.203 54.203 53.673 0.530 25509 5220 1 8 . 1 1 25 25 CYS N N 25 126.908 126.908 121.688 5.220 25509 5221 1 8 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.359 -0.660 25509 5222 1 8 . 1 1 25 25 CYS C C 25 173.285 173.285 174.678 -1.393 25509 5223 1 8 . 1 1 25 25 CYS CA C 25 57.086 57.086 59.578 -2.492 25509 5224 1 8 . 1 1 25 25 CYS H H 25 9.325 9.325 8.725 0.600 25509 5225 1 8 . 1 1 26 26 TYR N N 26 120.745 120.745 122.055 -1.310 25509 5226 1 8 . 1 1 26 26 TYR HA H 26 6.300 6.300 6.203 0.097 25509 5227 1 8 . 1 1 26 26 TYR C C 26 173.449 173.449 173.974 -0.525 25509 5228 1 8 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.919 -0.336 25509 5229 1 8 . 1 1 26 26 TYR H H 26 9.039 9.039 9.045 -0.006 25509 5230 1 8 . 1 1 27 27 GLU N N 27 118.222 118.222 117.632 0.590 25509 5231 1 8 . 1 1 27 27 GLU C C 27 175.348 175.348 175.539 -0.191 25509 5232 1 8 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.172 -0.624 25509 5233 1 8 . 1 1 27 27 GLU H H 27 9.358 9.358 8.782 0.576 25509 5234 1 8 . 1 1 28 28 VAL N N 28 124.182 124.182 118.559 5.623 25509 5235 1 8 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.730 0.184 25509 5236 1 8 . 1 1 28 28 VAL C C 28 174.085 174.085 174.487 -0.402 25509 5237 1 8 . 1 1 28 28 VAL CA C 28 61.231 61.231 61.331 -0.101 25509 5238 1 8 . 1 1 28 28 VAL H H 28 9.479 9.479 9.235 0.244 25509 5239 1 8 . 1 1 29 29 LYS N N 29 127.566 127.566 126.417 1.149 25509 5240 1 8 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.778 0.613 25509 5241 1 8 . 1 1 29 29 LYS C C 29 175.631 175.631 175.143 0.488 25509 5242 1 8 . 1 1 29 29 LYS CA C 29 54.136 54.136 54.361 -0.225 25509 5243 1 8 . 1 1 29 29 LYS H H 29 9.151 9.151 8.551 0.600 25509 5244 1 8 . 1 1 30 30 THR N N 30 118.721 118.721 114.719 4.002 25509 5245 1 8 . 1 1 30 30 THR HA H 30 4.617 4.617 4.319 0.298 25509 5246 1 8 . 1 1 30 30 THR C C 30 173.948 173.948 174.872 -0.924 25509 5247 1 8 . 1 1 30 30 THR CA C 30 61.228 61.228 61.448 -0.220 25509 5248 1 8 . 1 1 30 30 THR H H 30 8.615 8.615 8.375 0.240 25509 5249 1 8 . 1 1 31 31 LYS N N 31 125.634 125.634 121.487 4.147 25509 5250 1 8 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.086 -0.218 25509 5251 1 8 . 1 1 31 31 LYS C C 31 176.799 176.799 177.408 -0.609 25509 5252 1 8 . 1 1 31 31 LYS CA C 31 56.250 56.250 57.970 -1.720 25509 5253 1 8 . 1 1 31 31 LYS H H 31 8.400 8.400 8.881 -0.481 25509 5254 1 8 . 1 1 32 32 GLY N N 32 111.069 111.069 107.986 3.083 25509 5255 1 8 . 1 1 32 32 GLY C C 32 171.007 171.007 172.158 -1.151 25509 5256 1 8 . 1 1 32 32 GLY CA C 32 44.006 44.006 43.125 0.881 25509 5257 1 8 . 1 1 32 32 GLY H H 32 8.170 8.170 8.016 0.154 25509 5258 1 8 . 1 1 33 33 PRO C C 33 176.964 176.964 176.510 0.454 25509 5259 1 8 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.701 -0.026 25509 5260 1 8 . 1 1 34 34 SER N N 34 117.301 117.301 117.737 -0.436 25509 5261 1 8 . 1 1 34 34 SER HA H 34 4.372 4.372 4.503 -0.131 25509 5262 1 8 . 1 1 34 34 SER C C 34 173.728 173.728 175.383 -1.655 25509 5263 1 8 . 1 1 34 34 SER CA C 34 57.933 57.933 57.797 0.136 25509 5264 1 8 . 1 1 34 34 SER H H 34 8.383 8.383 8.338 0.045 25509 5265 1 8 . 1 1 35 35 ARG N N 35 123.829 123.829 126.438 -2.609 25509 5266 1 8 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.448 0.124 25509 5267 1 8 . 1 1 35 35 ARG C C 35 173.256 173.256 174.934 -1.678 25509 5268 1 8 . 1 1 35 35 ARG CA C 35 53.217 53.217 56.268 -3.051 25509 5269 1 8 . 1 1 35 35 ARG H H 35 8.153 8.153 8.448 -0.295 25509 5270 1 8 . 1 1 37 37 PRO C C 37 176.060 176.060 176.942 -0.882 25509 5271 1 8 . 1 1 37 37 PRO CA C 37 63.234 63.234 64.317 -1.083 25509 5272 1 8 . 1 1 38 38 LEU N N 38 126.508 126.508 119.304 7.204 25509 5273 1 8 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.316 -0.177 25509 5274 1 8 . 1 1 38 38 LEU C C 38 176.490 176.490 176.648 -0.158 25509 5275 1 8 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.411 0.791 25509 5276 1 8 . 1 1 38 38 LEU H H 38 8.347 8.347 7.399 0.948 25509 5277 1 8 . 1 1 39 39 ASP N N 39 120.060 120.060 115.639 4.421 25509 5278 1 8 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.228 0.143 25509 5279 1 8 . 1 1 39 39 ASP C C 39 175.525 175.525 176.278 -0.753 25509 5280 1 8 . 1 1 39 39 ASP CA C 39 53.948 53.948 55.935 -1.987 25509 5281 1 8 . 1 1 39 39 ASP H H 39 8.299 8.299 8.593 -0.294 25509 5282 1 8 . 1 1 40 40 ALA N N 40 123.020 123.020 121.150 1.870 25509 5283 1 8 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.190 0.176 25509 5284 1 8 . 1 1 40 40 ALA C C 40 177.243 177.243 177.128 0.115 25509 5285 1 8 . 1 1 40 40 ALA CA C 40 51.583 51.583 53.786 -2.203 25509 5286 1 8 . 1 1 40 40 ALA H H 40 7.972 7.972 8.001 -0.029 25509 5287 1 8 . 1 1 41 41 LYS N N 41 120.582 120.582 115.879 4.703 25509 5288 1 8 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.056 0.294 25509 5289 1 8 . 1 1 41 41 LYS C C 41 175.874 175.874 174.809 1.065 25509 5290 1 8 . 1 1 41 41 LYS CA C 41 56.520 56.520 56.910 -0.390 25509 5291 1 8 . 1 1 41 41 LYS H H 41 8.286 8.286 8.554 -0.268 25509 5292 1 8 . 1 1 42 42 ILE N N 42 119.815 119.815 119.591 0.224 25509 5293 1 8 . 1 1 42 42 ILE HA H 42 4.878 4.878 5.096 -0.218 25509 5294 1 8 . 1 1 42 42 ILE C C 42 174.828 174.828 175.006 -0.178 25509 5295 1 8 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.057 -0.179 25509 5296 1 8 . 1 1 42 42 ILE H H 42 7.830 7.830 7.813 0.017 25509 5297 1 8 . 1 1 43 43 PHE N N 43 126.131 126.131 128.172 -2.041 25509 5298 1 8 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.985 -0.100 25509 5299 1 8 . 1 1 43 43 PHE C C 43 173.801 173.801 173.351 0.450 25509 5300 1 8 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.583 -0.310 25509 5301 1 8 . 1 1 43 43 PHE H H 43 8.780 8.780 8.419 0.361 25509 5302 1 8 . 1 1 44 44 ARG N N 44 122.879 122.879 125.109 -2.230 25509 5303 1 8 . 1 1 44 44 ARG HA H 44 5.506 5.506 4.873 0.633 25509 5304 1 8 . 1 1 44 44 ARG C C 44 175.196 175.196 174.772 0.424 25509 5305 1 8 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.491 -0.224 25509 5306 1 8 . 1 1 44 44 ARG H H 44 8.368 8.368 7.902 0.466 25509 5307 1 8 . 1 1 45 45 GLY N N 45 108.917 108.917 109.070 -0.153 25509 5308 1 8 . 1 1 45 45 GLY C C 45 169.838 169.838 171.624 -1.786 25509 5309 1 8 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.087 0.754 25509 5310 1 8 . 1 1 45 45 GLY H H 45 7.714 7.714 7.712 0.002 25509 5311 1 8 . 1 1 46 46 GLN N N 46 113.774 113.774 116.036 -2.262 25509 5312 1 8 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.150 0.457 25509 5313 1 8 . 1 1 46 46 GLN C C 46 174.884 174.884 175.353 -0.469 25509 5314 1 8 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.701 -0.795 25509 5315 1 8 . 1 1 46 46 GLN H H 46 8.411 8.411 8.176 0.235 25509 5316 1 8 . 1 1 47 47 VAL N N 47 120.282 120.282 119.469 0.813 25509 5317 1 8 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.560 -0.185 25509 5318 1 8 . 1 1 47 47 VAL C C 47 172.005 172.005 176.687 -4.682 25509 5319 1 8 . 1 1 47 47 VAL CA C 47 59.977 59.977 64.063 -4.086 25509 5320 1 8 . 1 1 47 47 VAL H H 47 9.499 9.499 8.904 0.595 25509 5321 1 8 . 1 1 49 49 SER C C 49 173.486 173.486 174.727 -1.241 25509 5322 1 8 . 1 1 49 49 SER CA C 49 57.077 57.077 58.800 -1.723 25509 5323 1 8 . 1 1 50 50 GLU N N 50 123.998 123.998 123.002 0.996 25509 5324 1 8 . 1 1 50 50 GLU C C 50 175.276 175.276 175.701 -0.425 25509 5325 1 8 . 1 1 50 50 GLU CA C 50 54.505 54.505 57.265 -2.760 25509 5326 1 8 . 1 1 50 50 GLU H H 50 8.748 8.748 8.236 0.512 25509 5327 1 8 . 1 1 51 51 ASP N N 51 123.737 123.737 121.310 2.427 25509 5328 1 8 . 1 1 51 51 ASP C C 51 176.320 176.320 176.571 -0.251 25509 5329 1 8 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.186 -0.276 25509 5330 1 8 . 1 1 51 51 ASP H H 51 8.479 8.479 7.938 0.541 25509 5331 1 8 . 1 1 52 52 LYS N N 52 114.578 114.578 124.765 -10.187 25509 5332 1 8 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.302 -0.170 25509 5333 1 8 . 1 1 52 52 LYS C C 52 175.538 175.538 176.030 -0.492 25509 5334 1 8 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.615 -0.526 25509 5335 1 8 . 1 1 52 52 LYS H H 52 7.677 7.677 8.525 -0.848 25509 5336 1 8 . 1 1 53 53 TYR N N 53 124.836 124.836 121.174 3.662 25509 5337 1 8 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.447 0.323 25509 5338 1 8 . 1 1 53 53 TYR C C 53 175.498 175.498 175.708 -0.210 25509 5339 1 8 . 1 1 53 53 TYR CA C 53 53.507 53.507 57.691 -4.184 25509 5340 1 8 . 1 1 53 53 TYR H H 53 8.490 8.490 7.804 0.686 25509 5341 1 8 . 1 1 54 54 HIS N N 54 128.974 128.974 123.819 5.155 25509 5342 1 8 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.600 0.156 25509 5343 1 8 . 1 1 54 54 HIS C C 54 174.123 174.123 173.542 0.581 25509 5344 1 8 . 1 1 54 54 HIS CA C 54 53.734 53.734 54.909 -1.175 25509 5345 1 8 . 1 1 54 54 HIS H H 54 8.622 8.622 8.429 0.193 25509 5346 1 8 . 1 1 56 56 GLU C C 56 178.356 178.356 175.104 3.252 25509 5347 1 8 . 1 1 56 56 GLU CA C 56 60.597 60.597 56.596 4.001 25509 5348 1 8 . 1 1 57 57 MET N N 57 113.971 113.971 118.938 -4.967 25509 5349 1 8 . 1 1 57 57 MET HA H 57 4.433 4.433 4.435 -0.002 25509 5350 1 8 . 1 1 57 57 MET C C 57 180.454 180.454 177.718 2.736 25509 5351 1 8 . 1 1 57 57 MET CA C 57 55.453 55.453 57.845 -2.392 25509 5352 1 8 . 1 1 57 57 MET H H 57 6.807 6.807 7.719 -0.912 25509 5353 1 8 . 1 1 58 58 ARG N N 58 123.367 123.367 120.726 2.641 25509 5354 1 8 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.007 -0.243 25509 5355 1 8 . 1 1 58 58 ARG C C 58 179.588 179.588 178.631 0.957 25509 5356 1 8 . 1 1 58 58 ARG CA C 58 58.505 58.505 58.920 -0.415 25509 5357 1 8 . 1 1 58 58 ARG H H 58 7.658 7.658 8.441 -0.783 25509 5358 1 8 . 1 1 59 59 PHE N N 59 121.256 121.256 119.576 1.680 25509 5359 1 8 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.099 -0.541 25509 5360 1 8 . 1 1 59 59 PHE C C 59 175.915 175.915 176.264 -0.349 25509 5361 1 8 . 1 1 59 59 PHE CA C 59 61.355 61.355 60.439 0.916 25509 5362 1 8 . 1 1 59 59 PHE H H 59 8.925 8.925 7.806 1.119 25509 5363 1 8 . 1 1 60 60 LEU N N 60 118.280 118.280 117.045 1.235 25509 5364 1 8 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.295 0.177 25509 5365 1 8 . 1 1 60 60 LEU C C 60 179.572 179.572 178.937 0.635 25509 5366 1 8 . 1 1 60 60 LEU CA C 60 57.365 57.365 56.658 0.707 25509 5367 1 8 . 1 1 60 60 LEU H H 60 7.587 7.587 7.285 0.302 25509 5368 1 8 . 1 1 61 61 SER N N 61 115.099 115.099 116.437 -1.338 25509 5369 1 8 . 1 1 61 61 SER HA H 61 4.053 4.053 4.097 -0.044 25509 5370 1 8 . 1 1 61 61 SER C C 61 176.822 176.822 176.374 0.448 25509 5371 1 8 . 1 1 61 61 SER CA C 61 60.923 60.923 61.699 -0.776 25509 5372 1 8 . 1 1 61 61 SER H H 61 7.479 7.479 8.126 -0.647 25509 5373 1 8 . 1 1 62 62 LEU N N 62 123.881 123.881 118.433 5.448 25509 5374 1 8 . 1 1 62 62 LEU HA H 62 3.394 3.394 4.025 -0.631 25509 5375 1 8 . 1 1 62 62 LEU C C 62 177.319 177.319 177.565 -0.246 25509 5376 1 8 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.332 -0.455 25509 5377 1 8 . 1 1 62 62 LEU H H 62 7.302 7.302 7.553 -0.251 25509 5378 1 8 . 1 1 63 63 VAL N N 63 115.745 115.745 118.638 -2.893 25509 5379 1 8 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.267 -0.588 25509 5380 1 8 . 1 1 63 63 VAL C C 63 178.913 178.913 178.048 0.865 25509 5381 1 8 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.484 -0.916 25509 5382 1 8 . 1 1 63 63 VAL H H 63 7.039 7.039 7.430 -0.391 25509 5383 1 8 . 1 1 64 64 SER N N 64 114.324 114.324 114.259 0.065 25509 5384 1 8 . 1 1 64 64 SER C C 64 176.376 176.376 175.638 0.738 25509 5385 1 8 . 1 1 64 64 SER CA C 64 60.925 60.925 60.613 0.312 25509 5386 1 8 . 1 1 64 64 SER H H 64 7.205 7.205 7.530 -0.325 25509 5387 1 8 . 1 1 65 65 LYS N N 65 121.823 121.823 119.825 1.998 25509 5388 1 8 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.277 -0.202 25509 5389 1 8 . 1 1 65 65 LYS C C 65 178.346 178.346 177.597 0.749 25509 5390 1 8 . 1 1 65 65 LYS CA C 65 57.294 57.294 57.471 -0.177 25509 5391 1 8 . 1 1 65 65 LYS H H 65 7.294 7.294 7.438 -0.144 25509 5392 1 8 . 1 1 66 66 TRP N N 66 120.291 120.291 122.093 -1.802 25509 5393 1 8 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.683 -0.209 25509 5394 1 8 . 1 1 66 66 TRP CA C 66 56.009 56.009 55.210 0.799 25509 5395 1 8 . 1 1 66 66 TRP H H 66 7.834 7.834 7.733 0.101 25509 5396 1 8 . 1 1 69 69 HIS C C 69 176.475 176.475 174.346 2.129 25509 5397 1 8 . 1 1 69 69 HIS CA C 69 56.029 56.029 56.196 -0.167 25509 5398 1 8 . 1 1 70 70 ARG N N 70 121.733 121.733 121.944 -0.211 25509 5399 1 8 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.273 -0.776 25509 5400 1 8 . 1 1 70 70 ARG C C 70 175.806 175.806 175.501 0.305 25509 5401 1 8 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.533 0.809 25509 5402 1 8 . 1 1 70 70 ARG H H 70 8.527 8.527 8.755 -0.228 25509 5403 1 8 . 1 1 71 71 ASP N N 71 116.800 116.800 126.217 -9.417 25509 5404 1 8 . 1 1 71 71 ASP C C 71 175.213 175.213 176.850 -1.637 25509 5405 1 8 . 1 1 71 71 ASP CA C 71 53.027 53.027 54.632 -1.605 25509 5406 1 8 . 1 1 71 71 ASP H H 71 8.599 8.599 8.522 0.077 25509 5407 1 8 . 1 1 72 72 GLN N N 72 119.761 119.761 118.741 1.020 25509 5408 1 8 . 1 1 72 72 GLN HA H 72 4.522 4.522 3.932 0.590 25509 5409 1 8 . 1 1 72 72 GLN C C 72 172.972 172.972 175.432 -2.460 25509 5410 1 8 . 1 1 72 72 GLN CA C 72 53.807 53.807 58.012 -4.205 25509 5411 1 8 . 1 1 72 72 GLN H H 72 7.629 7.629 8.484 -0.855 25509 5412 1 8 . 1 1 73 73 GLU N N 73 117.994 117.994 121.077 -3.083 25509 5413 1 8 . 1 1 73 73 GLU C C 73 176.011 176.011 175.213 0.798 25509 5414 1 8 . 1 1 73 73 GLU CA C 73 54.896 54.896 54.926 -0.030 25509 5415 1 8 . 1 1 73 73 GLU H H 73 7.984 7.984 8.265 -0.281 25509 5416 1 8 . 1 1 74 74 TYR N N 74 120.098 120.098 126.240 -6.142 25509 5417 1 8 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.767 0.356 25509 5418 1 8 . 1 1 74 74 TYR C C 74 174.675 174.675 173.560 1.115 25509 5419 1 8 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.188 -0.446 25509 5420 1 8 . 1 1 74 74 TYR H H 74 8.860 8.860 8.869 -0.009 25509 5421 1 8 . 1 1 75 75 GLU N N 75 123.539 123.539 123.849 -0.310 25509 5422 1 8 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.132 -0.239 25509 5423 1 8 . 1 1 75 75 GLU C C 75 175.614 175.614 174.499 1.115 25509 5424 1 8 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.073 0.498 25509 5425 1 8 . 1 1 75 75 GLU H H 75 9.321 9.321 8.673 0.648 25509 5426 1 8 . 1 1 76 76 VAL N N 76 128.647 128.647 126.809 1.838 25509 5427 1 8 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.177 0.009 25509 5428 1 8 . 1 1 76 76 VAL C C 76 175.004 175.004 175.416 -0.412 25509 5429 1 8 . 1 1 76 76 VAL CA C 76 60.376 60.376 59.960 0.416 25509 5430 1 8 . 1 1 76 76 VAL H H 76 9.399 9.399 9.072 0.327 25509 5431 1 8 . 1 1 77 77 THR N N 77 126.297 126.297 121.856 4.441 25509 5432 1 8 . 1 1 77 77 THR HA H 77 5.223 5.223 4.701 0.522 25509 5433 1 8 . 1 1 77 77 THR C C 77 173.353 173.353 173.117 0.236 25509 5434 1 8 . 1 1 77 77 THR CA C 77 61.442 61.442 62.031 -0.589 25509 5435 1 8 . 1 1 77 77 THR H H 77 9.597 9.597 8.595 1.002 25509 5436 1 8 . 1 1 78 78 TRP N N 78 125.914 125.914 127.848 -1.934 25509 5437 1 8 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.944 0.727 25509 5438 1 8 . 1 1 78 78 TRP C C 78 174.723 174.723 174.235 0.488 25509 5439 1 8 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.482 -7.277 25509 5440 1 8 . 1 1 78 78 TRP H H 78 9.173 9.173 9.217 -0.044 25509 5441 1 8 . 1 1 79 79 TYR N N 79 120.962 120.962 125.122 -4.160 25509 5442 1 8 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.675 0.642 25509 5443 1 8 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.502 -1.803 25509 5444 1 8 . 1 1 79 79 TYR H H 79 9.322 9.322 9.346 -0.024 25509 5445 1 8 . 1 1 80 80 ILE N N 80 125.201 125.201 123.562 1.639 25509 5446 1 8 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.420 1.509 25509 5447 1 8 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.660 -16.824 25509 5448 1 8 . 1 1 80 80 ILE H H 80 9.634 9.634 8.165 1.469 25509 5449 1 8 . 1 1 86 86 THR HA H 86 3.629 3.629 3.080 0.549 25509 5450 1 8 . 1 1 86 86 THR C C 86 175.273 175.273 176.165 -0.892 25509 5451 1 8 . 1 1 86 86 THR CA C 86 60.845 60.845 66.311 -5.466 25509 5452 1 8 . 1 1 87 87 LYS N N 87 121.904 121.904 121.236 0.668 25509 5453 1 8 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.193 -0.250 25509 5454 1 8 . 1 1 87 87 LYS C C 87 178.969 178.969 178.691 0.278 25509 5455 1 8 . 1 1 87 87 LYS CA C 87 59.326 59.326 59.446 -0.120 25509 5456 1 8 . 1 1 87 87 LYS H H 87 7.728 7.728 8.021 -0.293 25509 5457 1 8 . 1 1 88 88 CYS N N 88 121.877 121.877 118.298 3.579 25509 5458 1 8 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.119 -0.185 25509 5459 1 8 . 1 1 88 88 CYS C C 88 178.168 178.168 176.810 1.358 25509 5460 1 8 . 1 1 88 88 CYS CA C 88 65.201 65.201 62.140 3.061 25509 5461 1 8 . 1 1 88 88 CYS H H 88 8.717 8.717 7.790 0.927 25509 5462 1 8 . 1 1 89 89 ALA N N 89 120.872 120.872 124.013 -3.141 25509 5463 1 8 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.186 -0.297 25509 5464 1 8 . 1 1 89 89 ALA C C 89 179.782 179.782 179.616 0.166 25509 5465 1 8 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.325 -0.025 25509 5466 1 8 . 1 1 89 89 ALA H H 89 9.009 9.009 8.021 0.988 25509 5467 1 8 . 1 1 90 90 ARG N N 90 117.797 117.797 116.782 1.015 25509 5468 1 8 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.095 -0.110 25509 5469 1 8 . 1 1 90 90 ARG C C 90 179.333 179.333 178.596 0.737 25509 5470 1 8 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.180 0.173 25509 5471 1 8 . 1 1 90 90 ARG H H 90 7.912 7.912 7.580 0.332 25509 5472 1 8 . 1 1 91 91 ASP N N 91 121.892 121.892 120.157 1.735 25509 5473 1 8 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.513 -0.038 25509 5474 1 8 . 1 1 91 91 ASP C C 91 180.593 180.593 178.066 2.527 25509 5475 1 8 . 1 1 91 91 ASP CA C 91 57.329 57.329 56.518 0.811 25509 5476 1 8 . 1 1 91 91 ASP H H 91 8.413 8.413 7.994 0.419 25509 5477 1 8 . 1 1 92 92 MET N N 92 121.165 121.165 119.126 2.039 25509 5478 1 8 . 1 1 92 92 MET HA H 92 4.453 4.453 4.087 0.366 25509 5479 1 8 . 1 1 92 92 MET C C 92 177.594 177.594 177.840 -0.246 25509 5480 1 8 . 1 1 92 92 MET CA C 92 56.255 56.255 59.442 -3.187 25509 5481 1 8 . 1 1 92 92 MET H H 92 8.986 8.986 8.256 0.730 25509 5482 1 8 . 1 1 93 93 ALA N N 93 124.315 124.315 119.066 5.249 25509 5483 1 8 . 1 1 93 93 ALA HA H 93 3.818 3.818 4.027 -0.209 25509 5484 1 8 . 1 1 93 93 ALA C C 93 179.351 179.351 179.376 -0.025 25509 5485 1 8 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.109 0.350 25509 5486 1 8 . 1 1 93 93 ALA H H 93 8.090 8.090 7.892 0.198 25509 5487 1 8 . 1 1 94 94 THR N N 94 115.375 115.375 115.107 0.268 25509 5488 1 8 . 1 1 94 94 THR HA H 94 3.854 3.854 4.084 -0.230 25509 5489 1 8 . 1 1 94 94 THR C C 94 175.971 175.971 176.129 -0.158 25509 5490 1 8 . 1 1 94 94 THR CA C 94 66.140 66.140 66.604 -0.464 25509 5491 1 8 . 1 1 94 94 THR H H 94 7.908 7.908 7.830 0.078 25509 5492 1 8 . 1 1 95 95 PHE N N 95 121.559 121.559 122.905 -1.346 25509 5493 1 8 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.454 -0.265 25509 5494 1 8 . 1 1 95 95 PHE C C 95 178.456 178.456 176.733 1.723 25509 5495 1 8 . 1 1 95 95 PHE CA C 95 61.307 61.307 61.079 0.228 25509 5496 1 8 . 1 1 95 95 PHE H H 95 7.845 7.845 7.678 0.167 25509 5497 1 8 . 1 1 96 96 LEU N N 96 120.614 120.614 120.056 0.558 25509 5498 1 8 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.723 0.028 25509 5499 1 8 . 1 1 96 96 LEU C C 96 179.846 179.846 178.985 0.861 25509 5500 1 8 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.840 -0.719 25509 5501 1 8 . 1 1 96 96 LEU H H 96 8.493 8.493 8.098 0.395 25509 5502 1 8 . 1 1 97 97 GLN N N 97 118.135 118.135 117.742 0.393 25509 5503 1 8 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.076 -0.004 25509 5504 1 8 . 1 1 97 97 GLN C C 97 177.940 177.940 177.922 0.018 25509 5505 1 8 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.336 -0.346 25509 5506 1 8 . 1 1 97 97 GLN H H 97 7.971 7.971 8.316 -0.345 25509 5507 1 8 . 1 1 98 98 GLU N N 98 115.676 115.676 118.227 -2.551 25509 5508 1 8 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.112 0.110 25509 5509 1 8 . 1 1 98 98 GLU C C 98 176.364 176.364 177.580 -1.216 25509 5510 1 8 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.514 -1.050 25509 5511 1 8 . 1 1 98 98 GLU H H 98 7.473 7.473 7.701 -0.228 25509 5512 1 8 . 1 1 99 99 ASN N N 99 121.312 121.312 117.096 4.216 25509 5513 1 8 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.617 0.369 25509 5514 1 8 . 1 1 99 99 ASN C C 99 174.155 174.155 176.395 -2.240 25509 5515 1 8 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.629 -2.671 25509 5516 1 8 . 1 1 99 99 ASN H H 99 7.520 7.520 7.640 -0.120 25509 5517 1 8 . 1 1 100 100 THR N N 100 111.032 111.032 111.684 -0.652 25509 5518 1 8 . 1 1 100 100 THR HA H 100 4.438 4.438 3.745 0.693 25509 5519 1 8 . 1 1 100 100 THR C C 100 174.600 174.600 174.803 -0.203 25509 5520 1 8 . 1 1 100 100 THR CA C 100 63.613 63.613 65.574 -1.961 25509 5521 1 8 . 1 1 100 100 THR H H 100 7.985 7.985 8.235 -0.250 25509 5522 1 8 . 1 1 101 101 HIS C C 101 173.419 173.419 174.144 -0.725 25509 5523 1 8 . 1 1 101 101 HIS CA C 101 56.546 56.546 56.649 -0.103 25509 5524 1 8 . 1 1 102 102 VAL N N 102 123.373 123.373 119.825 3.548 25509 5525 1 8 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.000 -0.357 25509 5526 1 8 . 1 1 102 102 VAL C C 102 174.248 174.248 174.504 -0.256 25509 5527 1 8 . 1 1 102 102 VAL CA C 102 61.015 61.015 60.079 0.936 25509 5528 1 8 . 1 1 102 102 VAL H H 102 7.561 7.561 7.107 0.454 25509 5529 1 8 . 1 1 103 103 THR N N 103 119.261 119.261 119.847 -0.586 25509 5530 1 8 . 1 1 103 103 THR HA H 103 4.702 4.702 5.128 -0.426 25509 5531 1 8 . 1 1 103 103 THR C C 103 173.198 173.198 173.713 -0.515 25509 5532 1 8 . 1 1 103 103 THR CA C 103 59.956 59.956 59.797 0.159 25509 5533 1 8 . 1 1 103 103 THR H H 103 8.370 8.370 8.890 -0.520 25509 5534 1 8 . 1 1 104 104 LEU N N 104 128.085 128.085 124.783 3.302 25509 5535 1 8 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.818 0.305 25509 5536 1 8 . 1 1 104 104 LEU C C 104 175.009 175.009 175.653 -0.644 25509 5537 1 8 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.924 -0.693 25509 5538 1 8 . 1 1 104 104 LEU H H 104 9.373 9.373 8.565 0.808 25509 5539 1 8 . 1 1 105 105 THR N N 105 126.064 126.064 120.633 5.431 25509 5540 1 8 . 1 1 105 105 THR HA H 105 4.560 4.560 4.844 -0.284 25509 5541 1 8 . 1 1 105 105 THR C C 105 171.873 171.873 174.291 -2.418 25509 5542 1 8 . 1 1 105 105 THR CA C 105 61.546 61.546 61.742 -0.195 25509 5543 1 8 . 1 1 105 105 THR H H 105 8.561 8.561 9.032 -0.471 25509 5544 1 8 . 1 1 106 106 ILE N N 106 125.679 125.679 125.544 0.135 25509 5545 1 8 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.834 -0.627 25509 5546 1 8 . 1 1 106 106 ILE C C 106 172.536 172.536 174.891 -2.355 25509 5547 1 8 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.357 -2.470 25509 5548 1 8 . 1 1 106 106 ILE H H 106 9.190 9.190 8.502 0.688 25509 5549 1 8 . 1 1 107 107 PHE N N 107 126.337 126.337 124.686 1.651 25509 5550 1 8 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.551 -0.295 25509 5551 1 8 . 1 1 107 107 PHE C C 107 175.694 175.694 175.322 0.372 25509 5552 1 8 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.771 0.571 25509 5553 1 8 . 1 1 107 107 PHE H H 107 9.135 9.135 9.323 -0.188 25509 5554 1 8 . 1 1 108 108 VAL N N 108 118.789 118.789 121.713 -2.924 25509 5555 1 8 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.624 0.396 25509 5556 1 8 . 1 1 108 108 VAL C C 108 176.539 176.539 175.035 1.504 25509 5557 1 8 . 1 1 108 108 VAL CA C 108 58.498 58.498 61.086 -2.588 25509 5558 1 8 . 1 1 108 108 VAL H H 108 8.936 8.936 8.265 0.671 25509 5559 1 8 . 1 1 109 109 ALA N N 109 129.108 129.108 131.706 -2.598 25509 5560 1 8 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.867 -0.343 25509 5561 1 8 . 1 1 109 109 ALA C C 109 175.933 175.933 177.238 -1.305 25509 5562 1 8 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.907 2.131 25509 5563 1 8 . 1 1 109 109 ALA H H 109 8.509 8.509 8.450 0.059 25509 5564 1 8 . 1 1 110 110 ARG N N 110 110.165 110.165 120.035 -9.870 25509 5565 1 8 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.585 -0.080 25509 5566 1 8 . 1 1 110 110 ARG C C 110 175.120 175.120 176.491 -1.371 25509 5567 1 8 . 1 1 110 110 ARG CA C 110 54.555 54.555 55.120 -0.564 25509 5568 1 8 . 1 1 110 110 ARG H H 110 6.677 6.677 7.739 -1.062 25509 5569 1 8 . 1 1 111 111 LEU N N 111 119.767 119.767 124.933 -5.166 25509 5570 1 8 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.356 0.159 25509 5571 1 8 . 1 1 111 111 LEU CA C 111 53.198 53.198 55.275 -2.077 25509 5572 1 8 . 1 1 111 111 LEU H H 111 7.031 7.031 8.526 -1.495 25509 5573 1 8 . 1 1 117 117 PRO C C 117 178.666 178.666 175.290 3.376 25509 5574 1 8 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.893 1.103 25509 5575 1 8 . 1 1 118 118 ASP N N 118 118.659 118.659 121.842 -3.183 25509 5576 1 8 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.811 -0.377 25509 5577 1 8 . 1 1 118 118 ASP C C 118 178.263 178.263 176.330 1.933 25509 5578 1 8 . 1 1 118 118 ASP CA C 118 56.740 56.740 55.808 0.932 25509 5579 1 8 . 1 1 118 118 ASP H H 118 8.215 8.215 8.336 -0.121 25509 5580 1 8 . 1 1 119 119 TYR N N 119 122.818 122.818 122.055 0.763 25509 5581 1 8 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.190 0.014 25509 5582 1 8 . 1 1 119 119 TYR C C 119 177.538 177.538 177.094 0.444 25509 5583 1 8 . 1 1 119 119 TYR CA C 119 60.942 60.942 61.005 -0.063 25509 5584 1 8 . 1 1 119 119 TYR H H 119 7.994 7.994 8.011 -0.017 25509 5585 1 8 . 1 1 120 120 GLN N N 120 117.143 117.143 117.464 -0.321 25509 5586 1 8 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.713 -0.205 25509 5587 1 8 . 1 1 120 120 GLN C C 120 177.702 177.702 177.875 -0.173 25509 5588 1 8 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.179 -0.193 25509 5589 1 8 . 1 1 120 120 GLN H H 120 7.898 7.898 8.856 -0.958 25509 5590 1 8 . 1 1 121 121 GLU N N 121 117.707 117.707 120.283 -2.576 25509 5591 1 8 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.116 -0.225 25509 5592 1 8 . 1 1 121 121 GLU C C 121 178.815 178.815 178.434 0.381 25509 5593 1 8 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.239 0.364 25509 5594 1 8 . 1 1 121 121 GLU H H 121 7.829 7.829 8.244 -0.415 25509 5595 1 8 . 1 1 122 122 ALA N N 122 123.710 123.710 122.968 0.742 25509 5596 1 8 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.135 -0.235 25509 5597 1 8 . 1 1 122 122 ALA C C 122 180.296 180.296 179.823 0.473 25509 5598 1 8 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.865 0.084 25509 5599 1 8 . 1 1 122 122 ALA H H 122 7.881 7.881 8.097 -0.216 25509 5600 1 8 . 1 1 123 123 LEU N N 123 119.307 119.307 118.843 0.464 25509 5601 1 8 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.924 -0.133 25509 5602 1 8 . 1 1 123 123 LEU C C 123 179.075 179.075 178.948 0.127 25509 5603 1 8 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.762 -0.225 25509 5604 1 8 . 1 1 123 123 LEU H H 123 8.073 8.073 8.303 -0.230 25509 5605 1 8 . 1 1 124 124 ARG N N 124 118.146 118.146 118.765 -0.619 25509 5606 1 8 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.988 -0.156 25509 5607 1 8 . 1 1 124 124 ARG C C 124 179.745 179.745 178.992 0.753 25509 5608 1 8 . 1 1 124 124 ARG CA C 124 60.155 60.155 58.486 1.669 25509 5609 1 8 . 1 1 124 124 ARG H H 124 8.074 8.074 7.656 0.418 25509 5610 1 8 . 1 1 125 125 SER N N 125 117.399 117.399 115.041 2.358 25509 5611 1 8 . 1 1 125 125 SER HA H 125 4.151 4.151 4.322 -0.171 25509 5612 1 8 . 1 1 125 125 SER C C 125 176.389 176.389 176.719 -0.330 25509 5613 1 8 . 1 1 125 125 SER CA C 125 54.752 54.752 61.736 -6.984 25509 5614 1 8 . 1 1 125 125 SER H H 125 8.471 8.471 7.914 0.557 25509 5615 1 8 . 1 1 126 126 LEU N N 126 125.924 125.924 122.425 3.499 25509 5616 1 8 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.132 -0.162 25509 5617 1 8 . 1 1 126 126 LEU C C 126 177.721 177.721 177.987 -0.266 25509 5618 1 8 . 1 1 126 126 LEU CA C 126 57.423 57.423 57.360 0.063 25509 5619 1 8 . 1 1 126 126 LEU H H 126 7.621 7.621 8.124 -0.503 25509 5620 1 8 . 1 1 127 127 ALA N N 127 122.932 122.932 120.075 2.857 25509 5621 1 8 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.153 0.523 25509 5622 1 8 . 1 1 127 127 ALA C C 127 182.614 182.614 179.891 2.723 25509 5623 1 8 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.363 -0.389 25509 5624 1 8 . 1 1 127 127 ALA H H 127 7.973 7.973 8.259 -0.286 25509 5625 1 8 . 1 1 128 128 GLN N N 128 120.408 120.408 119.056 1.352 25509 5626 1 8 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.074 -0.045 25509 5627 1 8 . 1 1 128 128 GLN C C 128 177.613 177.613 177.221 0.392 25509 5628 1 8 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.013 0.038 25509 5629 1 8 . 1 1 128 128 GLN H H 128 8.690 8.690 7.876 0.814 25509 5630 1 8 . 1 1 129 129 ALA N N 129 120.391 120.391 120.119 0.272 25509 5631 1 8 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.226 0.057 25509 5632 1 8 . 1 1 129 129 ALA C C 129 177.019 177.019 177.370 -0.351 25509 5633 1 8 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.816 -0.644 25509 5634 1 8 . 1 1 129 129 ALA H H 129 7.542 7.542 7.463 0.079 25509 5635 1 8 . 1 1 130 130 GLY N N 130 104.533 104.533 102.248 2.285 25509 5636 1 8 . 1 1 130 130 GLY C C 130 175.291 175.291 172.591 2.700 25509 5637 1 8 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.483 -0.208 25509 5638 1 8 . 1 1 130 130 GLY H H 130 7.760 7.760 7.520 0.240 25509 5639 1 8 . 1 1 131 131 ALA N N 131 124.759 124.759 122.674 2.085 25509 5640 1 8 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.588 -1.001 25509 5641 1 8 . 1 1 131 131 ALA C C 131 177.045 177.045 175.951 1.094 25509 5642 1 8 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.329 1.285 25509 5643 1 8 . 1 1 131 131 ALA H H 131 7.543 7.543 7.677 -0.134 25509 5644 1 8 . 1 1 132 132 THR N N 132 120.565 120.565 116.232 4.333 25509 5645 1 8 . 1 1 132 132 THR HA H 132 4.293 4.293 4.564 -0.271 25509 5646 1 8 . 1 1 132 132 THR C C 132 172.940 172.940 172.826 0.114 25509 5647 1 8 . 1 1 132 132 THR CA C 132 62.285 62.285 61.957 0.328 25509 5648 1 8 . 1 1 132 132 THR H H 132 7.983 7.983 8.806 -0.823 25509 5649 1 8 . 1 1 133 133 ILE N N 133 128.874 128.874 126.536 2.338 25509 5650 1 8 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.860 -0.155 25509 5651 1 8 . 1 1 133 133 ILE C C 133 173.707 173.707 174.907 -1.200 25509 5652 1 8 . 1 1 133 133 ILE CA C 133 59.898 59.898 59.824 0.074 25509 5653 1 8 . 1 1 133 133 ILE H H 133 8.641 8.641 8.482 0.159 25509 5654 1 8 . 1 1 134 134 LYS N N 134 125.904 125.904 125.493 0.411 25509 5655 1 8 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.528 -0.038 25509 5656 1 8 . 1 1 134 134 LYS C C 134 174.736 174.736 174.978 -0.242 25509 5657 1 8 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.633 0.273 25509 5658 1 8 . 1 1 134 134 LYS H H 134 8.878 8.878 8.172 0.706 25509 5659 1 8 . 1 1 135 135 ILE N N 135 121.444 121.444 122.983 -1.539 25509 5660 1 8 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.203 0.441 25509 5661 1 8 . 1 1 135 135 ILE C C 135 177.563 177.563 177.468 0.095 25509 5662 1 8 . 1 1 135 135 ILE CA C 135 56.834 56.834 61.175 -4.341 25509 5663 1 8 . 1 1 135 135 ILE H H 135 8.601 8.601 8.741 -0.140 25509 5664 1 8 . 1 1 136 136 MET N N 136 124.557 124.557 124.176 0.381 25509 5665 1 8 . 1 1 136 136 MET HA H 136 3.741 3.741 4.546 -0.805 25509 5666 1 8 . 1 1 136 136 MET C C 136 174.070 174.070 174.415 -0.345 25509 5667 1 8 . 1 1 136 136 MET CA C 136 58.298 58.298 56.888 1.410 25509 5668 1 8 . 1 1 136 136 MET H H 136 8.550 8.550 8.539 0.012 25509 5669 1 8 . 1 1 137 137 ASN N N 137 126.678 126.678 121.048 5.630 25509 5670 1 8 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.004 0.004 25509 5671 1 8 . 1 1 137 137 ASN C C 137 174.733 174.733 176.198 -1.465 25509 5672 1 8 . 1 1 137 137 ASN CA C 137 50.894 50.894 51.933 -1.039 25509 5673 1 8 . 1 1 137 137 ASN H H 137 9.480 9.480 8.006 1.474 25509 5674 1 8 . 1 1 138 138 TYR N N 138 123.587 123.587 123.188 0.399 25509 5675 1 8 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.555 -0.714 25509 5676 1 8 . 1 1 138 138 TYR C C 138 176.154 176.154 176.879 -0.725 25509 5677 1 8 . 1 1 138 138 TYR CA C 138 63.811 63.811 61.891 1.920 25509 5678 1 8 . 1 1 138 138 TYR H H 138 9.914 9.914 8.493 1.421 25509 5679 1 8 . 1 1 139 139 ASP N N 139 116.024 116.024 117.904 -1.880 25509 5680 1 8 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.198 -0.082 25509 5681 1 8 . 1 1 139 139 ASP C C 139 179.067 179.067 177.623 1.444 25509 5682 1 8 . 1 1 139 139 ASP CA C 139 57.491 57.491 56.965 0.526 25509 5683 1 8 . 1 1 139 139 ASP H H 139 8.976 8.976 8.738 0.238 25509 5684 1 8 . 1 1 140 140 GLU N N 140 118.087 118.087 120.098 -2.011 25509 5685 1 8 . 1 1 140 140 GLU HA H 140 3.826 3.826 3.950 -0.124 25509 5686 1 8 . 1 1 140 140 GLU C C 140 178.692 178.692 177.925 0.767 25509 5687 1 8 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.609 1.991 25509 5688 1 8 . 1 1 140 140 GLU H H 140 7.540 7.540 8.023 -0.483 25509 5689 1 8 . 1 1 141 141 PHE N N 141 119.608 119.608 119.669 -0.061 25509 5690 1 8 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.210 -0.422 25509 5691 1 8 . 1 1 141 141 PHE C C 141 176.881 176.881 178.424 -1.543 25509 5692 1 8 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.775 0.928 25509 5693 1 8 . 1 1 141 141 PHE H H 141 8.032 8.032 7.368 0.664 25509 5694 1 8 . 1 1 142 142 GLN N N 142 118.759 118.759 119.402 -0.643 25509 5695 1 8 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.162 -0.141 25509 5696 1 8 . 1 1 142 142 GLN C C 142 177.945 177.945 178.582 -0.637 25509 5697 1 8 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.324 -0.545 25509 5698 1 8 . 1 1 142 142 GLN H H 142 8.223 8.223 7.943 0.280 25509 5699 1 8 . 1 1 143 143 HIS N N 143 120.774 120.774 120.109 0.665 25509 5700 1 8 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.342 -0.364 25509 5701 1 8 . 1 1 143 143 HIS C C 143 177.147 177.147 177.595 -0.448 25509 5702 1 8 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.693 -0.326 25509 5703 1 8 . 1 1 143 143 HIS H H 143 7.924 7.924 7.777 0.147 25509 5704 1 8 . 1 1 144 144 CYS N N 144 117.600 117.600 118.256 -0.656 25509 5705 1 8 . 1 1 144 144 CYS HA H 144 3.838 3.838 3.761 0.077 25509 5706 1 8 . 1 1 144 144 CYS C C 144 176.233 176.233 176.460 -0.227 25509 5707 1 8 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.644 -0.791 25509 5708 1 8 . 1 1 144 144 CYS H H 144 7.892 7.892 8.433 -0.541 25509 5709 1 8 . 1 1 145 145 TRP N N 145 120.806 120.806 122.677 -1.871 25509 5710 1 8 . 1 1 145 145 TRP HA H 145 3.269 3.269 4.038 -0.769 25509 5711 1 8 . 1 1 145 145 TRP C C 145 177.085 177.085 177.683 -0.598 25509 5712 1 8 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.324 -0.871 25509 5713 1 8 . 1 1 145 145 TRP H H 145 8.201 8.201 8.656 -0.455 25509 5714 1 8 . 1 1 146 146 SER N N 146 111.555 111.555 113.436 -1.881 25509 5715 1 8 . 1 1 146 146 SER C C 146 176.199 176.199 175.777 0.422 25509 5716 1 8 . 1 1 146 146 SER CA C 146 60.827 60.827 60.863 -0.036 25509 5717 1 8 . 1 1 146 146 SER H H 146 8.032 8.032 7.737 0.295 25509 5718 1 8 . 1 1 147 147 LYS N N 147 115.563 115.563 120.518 -4.955 25509 5719 1 8 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.204 -0.230 25509 5720 1 8 . 1 1 147 147 LYS C C 147 177.448 177.448 177.640 -0.192 25509 5721 1 8 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.234 -1.770 25509 5722 1 8 . 1 1 147 147 LYS H H 147 7.684 7.684 7.918 -0.234 25509 5723 1 8 . 1 1 148 148 PHE N N 148 113.648 113.648 115.427 -1.779 25509 5724 1 8 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.209 0.268 25509 5725 1 8 . 1 1 148 148 PHE C C 148 174.293 174.293 176.102 -1.809 25509 5726 1 8 . 1 1 148 148 PHE CA C 148 58.180 58.180 59.157 -0.977 25509 5727 1 8 . 1 1 148 148 PHE H H 148 8.134 8.134 8.080 0.054 25509 5728 1 8 . 1 1 149 149 VAL N N 149 119.139 119.139 114.863 4.276 25509 5729 1 8 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.923 0.186 25509 5730 1 8 . 1 1 149 149 VAL C C 149 175.690 175.690 174.799 0.891 25509 5731 1 8 . 1 1 149 149 VAL CA C 149 60.309 60.309 61.213 -0.904 25509 5732 1 8 . 1 1 149 149 VAL H H 149 6.787 6.787 7.007 -0.220 25509 5733 1 8 . 1 1 150 150 TYR N N 150 129.042 129.042 120.306 8.736 25509 5734 1 8 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.422 0.142 25509 5735 1 8 . 1 1 150 150 TYR C C 150 173.826 173.826 176.951 -3.125 25509 5736 1 8 . 1 1 150 150 TYR CA C 150 55.580 55.580 59.403 -3.823 25509 5737 1 8 . 1 1 150 150 TYR H H 150 8.552 8.552 8.048 0.504 25509 5738 1 8 . 1 1 151 151 SER N N 151 119.931 119.931 113.818 6.113 25509 5739 1 8 . 1 1 151 151 SER HA H 151 4.585 4.585 4.072 0.513 25509 5740 1 8 . 1 1 151 151 SER C C 151 176.209 176.209 174.488 1.721 25509 5741 1 8 . 1 1 151 151 SER CA C 151 57.497 57.497 58.760 -1.263 25509 5742 1 8 . 1 1 151 151 SER H H 151 7.787 7.787 8.560 -0.773 25509 5743 1 8 . 1 1 152 152 GLN N N 152 120.381 120.381 115.755 4.626 25509 5744 1 8 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.065 -0.350 25509 5745 1 8 . 1 1 152 152 GLN C C 152 175.787 175.787 175.538 0.249 25509 5746 1 8 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.897 -0.421 25509 5747 1 8 . 1 1 152 152 GLN H H 152 8.386 8.386 8.631 -0.245 25509 5748 1 8 . 1 1 153 153 GLY N N 153 106.086 106.086 105.195 0.891 25509 5749 1 8 . 1 1 153 153 GLY C C 153 174.309 174.309 173.977 0.332 25509 5750 1 8 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.260 -0.357 25509 5751 1 8 . 1 1 153 153 GLY H H 153 8.047 8.047 7.967 0.080 25509 5752 1 8 . 1 1 154 154 ALA N N 154 125.790 125.790 123.305 2.485 25509 5753 1 8 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.608 -0.026 25509 5754 1 8 . 1 1 154 154 ALA C C 154 176.022 176.022 175.751 0.271 25509 5755 1 8 . 1 1 154 154 ALA CA C 154 49.894 49.894 49.829 0.065 25509 5756 1 8 . 1 1 154 154 ALA H H 154 7.562 7.562 7.816 -0.254 25509 5757 1 8 . 1 1 155 155 PRO C C 155 175.578 175.578 175.301 0.277 25509 5758 1 8 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.748 -1.087 25509 5759 1 8 . 1 1 156 156 PHE N N 156 121.116 121.116 125.874 -4.758 25509 5760 1 8 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.191 -1.845 25509 5761 1 8 . 1 1 156 156 PHE C C 156 174.254 174.254 174.048 0.206 25509 5762 1 8 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.631 -1.217 25509 5763 1 8 . 1 1 156 156 PHE H H 156 8.288 8.288 8.021 0.267 25509 5764 1 8 . 1 1 157 157 GLN N N 157 129.600 129.600 125.817 3.783 25509 5765 1 8 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.808 -0.502 25509 5766 1 8 . 1 1 157 157 GLN C C 157 171.628 171.628 173.479 -1.851 25509 5767 1 8 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.449 -1.934 25509 5768 1 8 . 1 1 157 157 GLN H H 157 7.205 7.205 7.909 -0.704 25509 5769 1 8 . 1 1 158 158 PRO C C 158 175.224 175.224 174.929 0.295 25509 5770 1 8 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.005 -0.283 25509 5771 1 8 . 1 1 159 159 TRP N N 159 117.795 117.795 118.522 -0.727 25509 5772 1 8 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.765 -0.067 25509 5773 1 8 . 1 1 159 159 TRP C C 159 175.906 175.906 175.776 0.130 25509 5774 1 8 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.739 -2.211 25509 5775 1 8 . 1 1 159 159 TRP H H 159 5.628 5.628 7.227 -1.599 25509 5776 1 8 . 1 1 160 160 ASP N N 160 122.363 122.363 123.379 -1.016 25509 5777 1 8 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.621 -0.298 25509 5778 1 8 . 1 1 160 160 ASP C C 160 177.598 177.598 176.348 1.250 25509 5779 1 8 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.271 1.124 25509 5780 1 8 . 1 1 160 160 ASP H H 160 8.766 8.766 8.511 0.255 25509 5781 1 8 . 1 1 161 161 GLY N N 161 111.982 111.982 108.106 3.876 25509 5782 1 8 . 1 1 161 161 GLY C C 161 173.833 173.833 175.000 -1.167 25509 5783 1 8 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.200 0.182 25509 5784 1 8 . 1 1 161 161 GLY H H 161 8.887 8.887 8.138 0.749 25509 5785 1 8 . 1 1 162 162 LEU N N 162 121.971 121.971 121.123 0.848 25509 5786 1 8 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.258 0.014 25509 5787 1 8 . 1 1 162 162 LEU C C 162 179.345 179.345 177.400 1.945 25509 5788 1 8 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.939 2.615 25509 5789 1 8 . 1 1 162 162 LEU H H 162 7.078 7.078 8.167 -1.089 25509 5790 1 8 . 1 1 163 163 ASP N N 163 118.366 118.366 118.161 0.205 25509 5791 1 8 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.439 0.020 25509 5792 1 8 . 1 1 163 163 ASP C C 163 178.182 178.182 178.090 0.092 25509 5793 1 8 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.599 -0.491 25509 5794 1 8 . 1 1 163 163 ASP H H 163 8.679 8.679 8.397 0.282 25509 5795 1 8 . 1 1 164 164 GLU N N 164 121.998 121.998 118.967 3.031 25509 5796 1 8 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.226 -0.291 25509 5797 1 8 . 1 1 164 164 GLU C C 164 180.355 180.355 178.884 1.471 25509 5798 1 8 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.165 0.449 25509 5799 1 8 . 1 1 164 164 GLU H H 164 8.374 8.374 8.556 -0.182 25509 5800 1 8 . 1 1 165 165 HIS N N 165 120.268 120.268 118.808 1.460 25509 5801 1 8 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.457 0.145 25509 5802 1 8 . 1 1 165 165 HIS C C 165 178.924 178.924 177.354 1.570 25509 5803 1 8 . 1 1 165 165 HIS CA C 165 59.393 59.393 58.928 0.465 25509 5804 1 8 . 1 1 165 165 HIS H H 165 8.707 8.707 8.550 0.157 25509 5805 1 8 . 1 1 166 166 SER N N 166 118.252 118.252 116.591 1.661 25509 5806 1 8 . 1 1 166 166 SER HA H 166 4.400 4.400 4.415 -0.015 25509 5807 1 8 . 1 1 166 166 SER C C 166 177.421 177.421 176.918 0.503 25509 5808 1 8 . 1 1 166 166 SER CA C 166 63.202 63.202 62.586 0.616 25509 5809 1 8 . 1 1 166 166 SER H H 166 8.649 8.649 8.564 0.085 25509 5810 1 8 . 1 1 167 167 GLN N N 167 121.647 121.647 119.190 2.457 25509 5811 1 8 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.261 -0.085 25509 5812 1 8 . 1 1 167 167 GLN C C 167 179.643 179.643 177.916 1.727 25509 5813 1 8 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.163 0.619 25509 5814 1 8 . 1 1 167 167 GLN H H 167 8.645 8.645 8.301 0.344 25509 5815 1 8 . 1 1 168 168 ALA N N 168 124.242 124.242 123.240 1.002 25509 5816 1 8 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.081 0.168 25509 5817 1 8 . 1 1 168 168 ALA C C 168 181.949 181.949 179.488 2.461 25509 5818 1 8 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.756 0.124 25509 5819 1 8 . 1 1 168 168 ALA H H 168 8.092 8.092 7.599 0.493 25509 5820 1 8 . 1 1 169 169 LEU N N 169 120.509 120.509 118.254 2.255 25509 5821 1 8 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.073 0.014 25509 5822 1 8 . 1 1 169 169 LEU C C 169 179.159 179.159 178.884 0.275 25509 5823 1 8 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.190 0.414 25509 5824 1 8 . 1 1 169 169 LEU H H 169 8.526 8.526 8.260 0.266 25509 5825 1 8 . 1 1 170 170 SER N N 170 117.410 117.410 114.959 2.451 25509 5826 1 8 . 1 1 170 170 SER HA H 170 4.128 4.128 4.157 -0.029 25509 5827 1 8 . 1 1 170 170 SER C C 170 178.370 178.370 176.890 1.480 25509 5828 1 8 . 1 1 170 170 SER CA C 170 62.240 62.240 62.352 -0.112 25509 5829 1 8 . 1 1 170 170 SER H H 170 8.853 8.853 8.026 0.827 25509 5830 1 8 . 1 1 171 171 GLY N N 171 111.058 111.058 108.459 2.599 25509 5831 1 8 . 1 1 171 171 GLY C C 171 176.376 176.376 175.908 0.468 25509 5832 1 8 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.894 -0.221 25509 5833 1 8 . 1 1 171 171 GLY H H 171 8.175 8.175 7.899 0.276 25509 5834 1 8 . 1 1 172 172 ARG N N 172 123.131 123.131 120.190 2.941 25509 5835 1 8 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.357 -0.166 25509 5836 1 8 . 1 1 172 172 ARG C C 172 178.807 178.807 178.655 0.152 25509 5837 1 8 . 1 1 172 172 ARG CA C 172 58.189 58.189 56.883 1.306 25509 5838 1 8 . 1 1 172 172 ARG H H 172 7.578 7.578 7.365 0.213 25509 5839 1 8 . 1 1 173 173 LEU N N 173 120.594 120.594 120.257 0.337 25509 5840 1 8 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.207 -0.215 25509 5841 1 8 . 1 1 173 173 LEU C C 173 178.396 178.396 178.271 0.125 25509 5842 1 8 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.147 -0.686 25509 5843 1 8 . 1 1 173 173 LEU H H 173 8.813 8.813 7.784 1.029 25509 5844 1 8 . 1 1 174 174 GLY N N 174 105.456 105.456 106.108 -0.652 25509 5845 1 8 . 1 1 174 174 GLY C C 174 176.170 176.170 175.965 0.205 25509 5846 1 8 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.628 0.013 25509 5847 1 8 . 1 1 174 174 GLY H H 174 8.221 8.221 7.789 0.432 25509 5848 1 8 . 1 1 175 175 GLU N N 175 120.171 120.171 121.315 -1.144 25509 5849 1 8 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.158 -0.078 25509 5850 1 8 . 1 1 175 175 GLU C C 175 179.100 179.100 178.889 0.211 25509 5851 1 8 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.392 0.058 25509 5852 1 8 . 1 1 175 175 GLU H H 175 7.478 7.478 7.581 -0.103 25509 5853 1 8 . 1 1 176 176 ILE N N 176 119.642 119.642 120.069 -0.427 25509 5854 1 8 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.805 -0.125 25509 5855 1 8 . 1 1 176 176 ILE C C 176 177.560 177.560 177.475 0.085 25509 5856 1 8 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.459 -0.983 25509 5857 1 8 . 1 1 176 176 ILE H H 176 7.755 7.755 7.536 0.219 25509 5858 1 8 . 1 1 177 177 LEU N N 177 116.019 116.019 116.928 -0.909 25509 5859 1 8 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.310 -0.219 25509 5860 1 8 . 1 1 177 177 LEU C C 177 177.520 177.520 177.581 -0.061 25509 5861 1 8 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.719 -1.467 25509 5862 1 8 . 1 1 177 177 LEU H H 177 8.067 8.067 7.507 0.560 25509 5863 1 8 . 1 1 178 178 ARG N N 178 118.755 118.755 117.987 0.768 25509 5864 1 8 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.323 -0.184 25509 5865 1 8 . 1 1 178 178 ARG C C 178 175.953 175.953 176.696 -0.743 25509 5866 1 8 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.286 -0.603 25509 5867 1 8 . 1 1 178 178 ARG H H 178 7.566 7.566 7.854 -0.288 25509 5868 1 8 . 1 1 179 179 HIS N N 179 120.648 120.648 117.987 2.661 25509 5869 1 8 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.700 -0.088 25509 5870 1 8 . 1 1 179 179 HIS C C 179 174.365 174.365 174.344 0.021 25509 5871 1 8 . 1 1 179 179 HIS CA C 179 55.781 55.781 57.077 -1.296 25509 5872 1 8 . 1 1 179 179 HIS H H 179 8.140 8.140 7.985 0.155 25509 5873 1 9 . 1 1 2 2 ASP N N 2 123.241 123.241 121.845 1.396 25509 5874 1 9 . 1 1 2 2 ASP C C 2 174.657 174.657 174.058 0.599 25509 5875 1 9 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.382 -0.282 25509 5876 1 9 . 1 1 2 2 ASP H H 2 8.114 8.114 7.960 0.154 25509 5877 1 9 . 1 1 3 3 PRO C C 3 178.464 178.464 175.360 3.104 25509 5878 1 9 . 1 1 3 3 PRO CA C 3 66.499 66.499 62.790 3.709 25509 5879 1 9 . 1 1 4 4 ASP N N 4 118.258 118.258 123.515 -5.257 25509 5880 1 9 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.723 -0.275 25509 5881 1 9 . 1 1 4 4 ASP C C 4 178.808 178.808 177.875 0.933 25509 5882 1 9 . 1 1 4 4 ASP CA C 4 57.247 57.247 56.202 1.045 25509 5883 1 9 . 1 1 4 4 ASP H H 4 8.509 8.509 8.641 -0.132 25509 5884 1 9 . 1 1 5 5 THR N N 5 119.780 119.780 114.682 5.098 25509 5885 1 9 . 1 1 5 5 THR HA H 5 3.859 3.859 4.129 -0.270 25509 5886 1 9 . 1 1 5 5 THR C C 5 177.699 177.699 176.040 1.659 25509 5887 1 9 . 1 1 5 5 THR CA C 5 66.182 66.182 65.440 0.742 25509 5888 1 9 . 1 1 5 5 THR H H 5 8.150 8.150 7.816 0.334 25509 5889 1 9 . 1 1 6 6 PHE N N 6 124.329 124.329 122.598 1.731 25509 5890 1 9 . 1 1 6 6 PHE HA H 6 4.204 4.204 3.948 0.256 25509 5891 1 9 . 1 1 6 6 PHE C C 6 176.665 176.665 176.608 0.057 25509 5892 1 9 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.466 0.334 25509 5893 1 9 . 1 1 6 6 PHE H H 6 8.297 8.297 8.140 0.157 25509 5894 1 9 . 1 1 7 7 SER N N 7 116.185 116.185 114.277 1.908 25509 5895 1 9 . 1 1 7 7 SER C C 7 176.138 176.138 176.868 -0.730 25509 5896 1 9 . 1 1 7 7 SER CA C 7 61.480 61.480 60.911 0.569 25509 5897 1 9 . 1 1 7 7 SER H H 7 8.752 8.752 8.399 0.353 25509 5898 1 9 . 1 1 8 8 TYR N N 8 118.689 118.689 121.885 -3.196 25509 5899 1 9 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.352 -0.305 25509 5900 1 9 . 1 1 8 8 TYR C C 8 177.077 177.077 176.993 0.084 25509 5901 1 9 . 1 1 8 8 TYR CA C 8 60.282 60.282 61.126 -0.844 25509 5902 1 9 . 1 1 8 8 TYR H H 8 7.967 7.967 7.612 0.355 25509 5903 1 9 . 1 1 9 9 ASN N N 9 113.034 113.034 112.957 0.077 25509 5904 1 9 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.945 -0.715 25509 5905 1 9 . 1 1 9 9 ASN C C 9 175.101 175.101 176.007 -0.906 25509 5906 1 9 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.608 2.479 25509 5907 1 9 . 1 1 9 9 ASN H H 9 7.577 7.577 7.898 -0.321 25509 5908 1 9 . 1 1 10 10 PHE N N 10 117.719 117.719 119.115 -1.396 25509 5909 1 9 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.660 -0.784 25509 5910 1 9 . 1 1 10 10 PHE C C 10 171.880 171.880 176.059 -4.179 25509 5911 1 9 . 1 1 10 10 PHE CA C 10 58.762 58.762 58.461 0.301 25509 5912 1 9 . 1 1 10 10 PHE H H 10 8.655 8.655 8.021 0.634 25509 5913 1 9 . 1 1 11 11 ASN N N 11 114.885 114.885 118.728 -3.843 25509 5914 1 9 . 1 1 11 11 ASN C C 11 174.730 174.730 174.743 -0.013 25509 5915 1 9 . 1 1 11 11 ASN CA C 11 53.439 53.439 54.285 -0.846 25509 5916 1 9 . 1 1 11 11 ASN H H 11 6.097 6.097 7.694 -1.597 25509 5917 1 9 . 1 1 12 12 ASN N N 12 121.039 121.039 121.221 -0.182 25509 5918 1 9 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.572 -0.207 25509 5919 1 9 . 1 1 12 12 ASN C C 12 174.578 174.578 175.531 -0.953 25509 5920 1 9 . 1 1 12 12 ASN CA C 12 51.417 51.417 54.985 -3.568 25509 5921 1 9 . 1 1 12 12 ASN H H 12 6.688 6.688 8.965 -2.277 25509 5922 1 9 . 1 1 13 13 ARG N N 13 119.646 119.646 119.389 0.257 25509 5923 1 9 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.183 -0.595 25509 5924 1 9 . 1 1 13 13 ARG C C 13 175.049 175.049 174.385 0.664 25509 5925 1 9 . 1 1 13 13 ARG CA C 13 54.330 54.330 52.528 1.802 25509 5926 1 9 . 1 1 13 13 ARG H H 13 7.589 7.589 7.655 -0.066 25509 5927 1 9 . 1 1 14 14 PRO C C 14 176.477 176.477 175.783 0.694 25509 5928 1 9 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.891 0.289 25509 5929 1 9 . 1 1 15 15 ILE N N 15 120.304 120.304 123.241 -2.937 25509 5930 1 9 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.808 0.475 25509 5931 1 9 . 1 1 15 15 ILE C C 15 175.956 175.956 176.326 -0.370 25509 5932 1 9 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.860 -2.834 25509 5933 1 9 . 1 1 15 15 ILE H H 15 7.827 7.827 8.112 -0.285 25509 5934 1 9 . 1 1 16 16 LEU N N 16 124.585 124.585 116.975 7.610 25509 5935 1 9 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.611 -0.310 25509 5936 1 9 . 1 1 16 16 LEU C C 16 177.213 177.213 176.229 0.984 25509 5937 1 9 . 1 1 16 16 LEU CA C 16 55.089 55.089 53.717 1.372 25509 5938 1 9 . 1 1 16 16 LEU H H 16 8.283 8.283 7.566 0.717 25509 5939 1 9 . 1 1 17 17 SER N N 17 115.176 115.176 116.820 -1.644 25509 5940 1 9 . 1 1 17 17 SER C C 17 173.733 173.733 173.494 0.239 25509 5941 1 9 . 1 1 17 17 SER CA C 17 57.371 57.371 58.164 -0.793 25509 5942 1 9 . 1 1 17 17 SER H H 17 7.782 7.782 8.404 -0.622 25509 5943 1 9 . 1 1 18 18 ARG N N 18 122.072 122.072 126.464 -4.392 25509 5944 1 9 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.537 -0.333 25509 5945 1 9 . 1 1 18 18 ARG C C 18 176.524 176.524 174.460 2.064 25509 5946 1 9 . 1 1 18 18 ARG CA C 18 55.944 55.944 56.395 -0.451 25509 5947 1 9 . 1 1 18 18 ARG H H 18 8.318 8.318 8.366 -0.048 25509 5948 1 9 . 1 1 21 21 THR HA H 21 4.574 4.574 4.419 0.155 25509 5949 1 9 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.441 -0.411 25509 5950 1 9 . 1 1 22 22 VAL CA C 22 61.772 61.772 60.561 1.211 25509 5951 1 9 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.165 -0.086 25509 5952 1 9 . 1 1 24 24 LEU C C 24 174.326 174.326 175.673 -1.347 25509 5953 1 9 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.106 0.097 25509 5954 1 9 . 1 1 25 25 CYS N N 25 126.908 126.908 124.073 2.835 25509 5955 1 9 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.552 -0.853 25509 5956 1 9 . 1 1 25 25 CYS C C 25 173.285 173.285 174.324 -1.039 25509 5957 1 9 . 1 1 25 25 CYS CA C 25 57.086 57.086 57.434 -0.348 25509 5958 1 9 . 1 1 25 25 CYS H H 25 9.325 9.325 8.804 0.521 25509 5959 1 9 . 1 1 26 26 TYR N N 26 120.745 120.745 126.855 -6.110 25509 5960 1 9 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.871 0.429 25509 5961 1 9 . 1 1 26 26 TYR C C 26 173.449 173.449 173.804 -0.355 25509 5962 1 9 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.687 -0.105 25509 5963 1 9 . 1 1 26 26 TYR H H 26 9.039 9.039 8.393 0.646 25509 5964 1 9 . 1 1 27 27 GLU N N 27 118.222 118.222 121.604 -3.382 25509 5965 1 9 . 1 1 27 27 GLU C C 27 175.348 175.348 176.210 -0.862 25509 5966 1 9 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.073 -0.525 25509 5967 1 9 . 1 1 27 27 GLU H H 27 9.358 9.358 9.104 0.254 25509 5968 1 9 . 1 1 28 28 VAL N N 28 124.182 124.182 126.006 -1.824 25509 5969 1 9 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.587 0.327 25509 5970 1 9 . 1 1 28 28 VAL C C 28 174.085 174.085 175.650 -1.565 25509 5971 1 9 . 1 1 28 28 VAL CA C 28 61.231 61.231 63.077 -1.846 25509 5972 1 9 . 1 1 28 28 VAL H H 28 9.479 9.479 9.458 0.021 25509 5973 1 9 . 1 1 29 29 LYS N N 29 127.566 127.566 127.704 -0.138 25509 5974 1 9 . 1 1 29 29 LYS HA H 29 5.391 5.391 5.129 0.262 25509 5975 1 9 . 1 1 29 29 LYS C C 29 175.631 175.631 175.970 -0.339 25509 5976 1 9 . 1 1 29 29 LYS CA C 29 54.136 54.136 54.208 -0.072 25509 5977 1 9 . 1 1 29 29 LYS H H 29 9.151 9.151 9.255 -0.104 25509 5978 1 9 . 1 1 30 30 THR N N 30 118.721 118.721 110.399 8.322 25509 5979 1 9 . 1 1 30 30 THR HA H 30 4.617 4.617 3.917 0.700 25509 5980 1 9 . 1 1 30 30 THR C C 30 173.948 173.948 174.665 -0.717 25509 5981 1 9 . 1 1 30 30 THR CA C 30 61.228 61.228 60.211 1.017 25509 5982 1 9 . 1 1 30 30 THR H H 30 8.615 8.615 7.848 0.767 25509 5983 1 9 . 1 1 31 31 LYS N N 31 125.634 125.634 120.543 5.091 25509 5984 1 9 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.173 -0.305 25509 5985 1 9 . 1 1 31 31 LYS C C 31 176.799 176.799 177.241 -0.442 25509 5986 1 9 . 1 1 31 31 LYS CA C 31 56.250 56.250 57.947 -1.697 25509 5987 1 9 . 1 1 31 31 LYS H H 31 8.400 8.400 8.473 -0.073 25509 5988 1 9 . 1 1 32 32 GLY N N 32 111.069 111.069 108.724 2.345 25509 5989 1 9 . 1 1 32 32 GLY C C 32 171.007 171.007 172.515 -1.508 25509 5990 1 9 . 1 1 32 32 GLY CA C 32 44.006 44.006 43.138 0.868 25509 5991 1 9 . 1 1 32 32 GLY H H 32 8.170 8.170 8.237 -0.067 25509 5992 1 9 . 1 1 33 33 PRO C C 33 176.964 176.964 176.976 -0.012 25509 5993 1 9 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.104 0.571 25509 5994 1 9 . 1 1 34 34 SER N N 34 117.301 117.301 117.916 -0.615 25509 5995 1 9 . 1 1 34 34 SER HA H 34 4.372 4.372 4.472 -0.100 25509 5996 1 9 . 1 1 34 34 SER C C 34 173.728 173.728 175.294 -1.566 25509 5997 1 9 . 1 1 34 34 SER CA C 34 57.933 57.933 58.573 -0.640 25509 5998 1 9 . 1 1 34 34 SER H H 34 8.383 8.383 8.461 -0.078 25509 5999 1 9 . 1 1 35 35 ARG N N 35 123.829 123.829 127.165 -3.336 25509 6000 1 9 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.435 0.137 25509 6001 1 9 . 1 1 35 35 ARG C C 35 173.256 173.256 174.980 -1.724 25509 6002 1 9 . 1 1 35 35 ARG CA C 35 53.217 53.217 56.294 -3.077 25509 6003 1 9 . 1 1 35 35 ARG H H 35 8.153 8.153 8.603 -0.450 25509 6004 1 9 . 1 1 37 37 PRO C C 37 176.060 176.060 175.780 0.280 25509 6005 1 9 . 1 1 37 37 PRO CA C 37 63.234 63.234 63.125 0.109 25509 6006 1 9 . 1 1 38 38 LEU N N 38 126.508 126.508 122.568 3.940 25509 6007 1 9 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.424 -0.285 25509 6008 1 9 . 1 1 38 38 LEU C C 38 176.490 176.490 177.906 -1.416 25509 6009 1 9 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.636 0.566 25509 6010 1 9 . 1 1 38 38 LEU H H 38 8.347 8.347 8.053 0.294 25509 6011 1 9 . 1 1 39 39 ASP N N 39 120.060 120.060 120.504 -0.444 25509 6012 1 9 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.492 -0.121 25509 6013 1 9 . 1 1 39 39 ASP C C 39 175.525 175.525 175.727 -0.202 25509 6014 1 9 . 1 1 39 39 ASP CA C 39 53.948 53.948 54.284 -0.336 25509 6015 1 9 . 1 1 39 39 ASP H H 39 8.299 8.299 8.769 -0.470 25509 6016 1 9 . 1 1 40 40 ALA N N 40 123.020 123.020 119.771 3.249 25509 6017 1 9 . 1 1 40 40 ALA HA H 40 4.366 4.366 3.983 0.383 25509 6018 1 9 . 1 1 40 40 ALA C C 40 177.243 177.243 176.353 0.890 25509 6019 1 9 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.945 -1.362 25509 6020 1 9 . 1 1 40 40 ALA H H 40 7.972 7.972 8.112 -0.140 25509 6021 1 9 . 1 1 41 41 LYS N N 41 120.582 120.582 120.670 -0.088 25509 6022 1 9 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.144 0.206 25509 6023 1 9 . 1 1 41 41 LYS C C 41 175.874 175.874 174.694 1.180 25509 6024 1 9 . 1 1 41 41 LYS CA C 41 56.520 56.520 55.788 0.732 25509 6025 1 9 . 1 1 41 41 LYS H H 41 8.286 8.286 8.252 0.034 25509 6026 1 9 . 1 1 42 42 ILE N N 42 119.815 119.815 121.725 -1.910 25509 6027 1 9 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.291 0.587 25509 6028 1 9 . 1 1 42 42 ILE C C 42 174.828 174.828 174.985 -0.157 25509 6029 1 9 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.748 -0.870 25509 6030 1 9 . 1 1 42 42 ILE H H 42 7.830 7.830 7.931 -0.101 25509 6031 1 9 . 1 1 43 43 PHE N N 43 126.131 126.131 128.705 -2.574 25509 6032 1 9 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.801 0.084 25509 6033 1 9 . 1 1 43 43 PHE C C 43 173.801 173.801 174.763 -0.962 25509 6034 1 9 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.671 -0.398 25509 6035 1 9 . 1 1 43 43 PHE H H 43 8.780 8.780 8.986 -0.206 25509 6036 1 9 . 1 1 44 44 ARG N N 44 122.879 122.879 124.668 -1.789 25509 6037 1 9 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.285 0.221 25509 6038 1 9 . 1 1 44 44 ARG C C 44 175.196 175.196 176.212 -1.016 25509 6039 1 9 . 1 1 44 44 ARG CA C 44 54.267 54.267 55.091 -0.824 25509 6040 1 9 . 1 1 44 44 ARG H H 44 8.368 8.368 8.756 -0.388 25509 6041 1 9 . 1 1 45 45 GLY N N 45 108.917 108.917 110.259 -1.342 25509 6042 1 9 . 1 1 45 45 GLY C C 45 169.838 169.838 171.954 -2.116 25509 6043 1 9 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.389 0.452 25509 6044 1 9 . 1 1 45 45 GLY H H 45 7.714 7.714 8.107 -0.393 25509 6045 1 9 . 1 1 46 46 GLN N N 46 113.774 113.774 117.505 -3.731 25509 6046 1 9 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.404 0.203 25509 6047 1 9 . 1 1 46 46 GLN C C 46 174.884 174.884 174.596 0.288 25509 6048 1 9 . 1 1 46 46 GLN CA C 46 53.906 53.906 55.157 -1.251 25509 6049 1 9 . 1 1 46 46 GLN H H 46 8.411 8.411 8.550 -0.139 25509 6050 1 9 . 1 1 47 47 VAL N N 47 120.282 120.282 119.106 1.176 25509 6051 1 9 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.389 -0.014 25509 6052 1 9 . 1 1 47 47 VAL C C 47 172.005 172.005 174.396 -2.391 25509 6053 1 9 . 1 1 47 47 VAL CA C 47 59.977 59.977 62.611 -2.634 25509 6054 1 9 . 1 1 47 47 VAL H H 47 9.499 9.499 8.668 0.831 25509 6055 1 9 . 1 1 49 49 SER C C 49 173.486 173.486 174.345 -0.859 25509 6056 1 9 . 1 1 49 49 SER CA C 49 57.077 57.077 58.953 -1.876 25509 6057 1 9 . 1 1 50 50 GLU N N 50 123.998 123.998 121.082 2.916 25509 6058 1 9 . 1 1 50 50 GLU C C 50 175.276 175.276 174.856 0.420 25509 6059 1 9 . 1 1 50 50 GLU CA C 50 54.505 54.505 56.360 -1.855 25509 6060 1 9 . 1 1 50 50 GLU H H 50 8.748 8.748 8.465 0.283 25509 6061 1 9 . 1 1 51 51 ASP N N 51 123.737 123.737 120.729 3.008 25509 6062 1 9 . 1 1 51 51 ASP C C 51 176.320 176.320 176.473 -0.153 25509 6063 1 9 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.712 -0.802 25509 6064 1 9 . 1 1 51 51 ASP H H 51 8.479 8.479 8.370 0.109 25509 6065 1 9 . 1 1 52 52 LYS N N 52 114.578 114.578 123.044 -8.466 25509 6066 1 9 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.247 -0.115 25509 6067 1 9 . 1 1 52 52 LYS C C 52 175.538 175.538 176.519 -0.981 25509 6068 1 9 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.397 -0.308 25509 6069 1 9 . 1 1 52 52 LYS H H 52 7.677 7.677 7.851 -0.174 25509 6070 1 9 . 1 1 53 53 TYR N N 53 124.836 124.836 118.278 6.558 25509 6071 1 9 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.627 0.143 25509 6072 1 9 . 1 1 53 53 TYR C C 53 175.498 175.498 176.061 -0.563 25509 6073 1 9 . 1 1 53 53 TYR CA C 53 53.507 53.507 56.328 -2.821 25509 6074 1 9 . 1 1 53 53 TYR H H 53 8.490 8.490 7.848 0.642 25509 6075 1 9 . 1 1 54 54 HIS N N 54 128.974 128.974 125.113 3.861 25509 6076 1 9 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.565 0.191 25509 6077 1 9 . 1 1 54 54 HIS C C 54 174.123 174.123 173.328 0.795 25509 6078 1 9 . 1 1 54 54 HIS CA C 54 53.734 53.734 58.932 -5.198 25509 6079 1 9 . 1 1 54 54 HIS H H 54 8.622 8.622 8.791 -0.169 25509 6080 1 9 . 1 1 56 56 GLU C C 56 178.356 178.356 178.050 0.306 25509 6081 1 9 . 1 1 56 56 GLU CA C 56 60.597 60.597 57.556 3.041 25509 6082 1 9 . 1 1 57 57 MET N N 57 113.971 113.971 119.286 -5.315 25509 6083 1 9 . 1 1 57 57 MET HA H 57 4.433 4.433 4.483 -0.050 25509 6084 1 9 . 1 1 57 57 MET C C 57 180.454 180.454 177.742 2.712 25509 6085 1 9 . 1 1 57 57 MET CA C 57 55.453 55.453 58.519 -3.066 25509 6086 1 9 . 1 1 57 57 MET H H 57 6.807 6.807 7.948 -1.141 25509 6087 1 9 . 1 1 58 58 ARG N N 58 123.367 123.367 119.003 4.364 25509 6088 1 9 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.135 -0.371 25509 6089 1 9 . 1 1 58 58 ARG C C 58 179.588 179.588 177.698 1.890 25509 6090 1 9 . 1 1 58 58 ARG CA C 58 58.505 58.505 58.612 -0.107 25509 6091 1 9 . 1 1 58 58 ARG H H 58 7.658 7.658 7.805 -0.147 25509 6092 1 9 . 1 1 59 59 PHE N N 59 121.256 121.256 121.044 0.212 25509 6093 1 9 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.277 -0.719 25509 6094 1 9 . 1 1 59 59 PHE C C 59 175.915 175.915 175.275 0.640 25509 6095 1 9 . 1 1 59 59 PHE CA C 59 61.355 61.355 58.888 2.467 25509 6096 1 9 . 1 1 59 59 PHE H H 59 8.925 8.925 7.596 1.329 25509 6097 1 9 . 1 1 60 60 LEU N N 60 118.280 118.280 119.275 -0.995 25509 6098 1 9 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.947 -0.475 25509 6099 1 9 . 1 1 60 60 LEU C C 60 179.572 179.572 178.075 1.497 25509 6100 1 9 . 1 1 60 60 LEU CA C 60 57.365 57.365 57.331 0.034 25509 6101 1 9 . 1 1 60 60 LEU H H 60 7.587 7.587 7.546 0.041 25509 6102 1 9 . 1 1 61 61 SER N N 61 115.099 115.099 116.242 -1.143 25509 6103 1 9 . 1 1 61 61 SER HA H 61 4.053 4.053 4.002 0.051 25509 6104 1 9 . 1 1 61 61 SER C C 61 176.822 176.822 176.126 0.696 25509 6105 1 9 . 1 1 61 61 SER CA C 61 60.923 60.923 62.295 -1.373 25509 6106 1 9 . 1 1 61 61 SER H H 61 7.479 7.479 7.583 -0.104 25509 6107 1 9 . 1 1 62 62 LEU N N 62 123.881 123.881 118.533 5.348 25509 6108 1 9 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.832 -0.438 25509 6109 1 9 . 1 1 62 62 LEU C C 62 177.319 177.319 176.853 0.466 25509 6110 1 9 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.281 -0.404 25509 6111 1 9 . 1 1 62 62 LEU H H 62 7.302 7.302 7.491 -0.189 25509 6112 1 9 . 1 1 63 63 VAL N N 63 115.745 115.745 117.630 -1.885 25509 6113 1 9 . 1 1 63 63 VAL HA H 63 2.679 2.679 1.540 1.139 25509 6114 1 9 . 1 1 63 63 VAL C C 63 178.913 178.913 178.225 0.688 25509 6115 1 9 . 1 1 63 63 VAL CA C 63 64.567 64.567 64.730 -0.163 25509 6116 1 9 . 1 1 63 63 VAL H H 63 7.039 7.039 6.847 0.192 25509 6117 1 9 . 1 1 64 64 SER N N 64 114.324 114.324 115.256 -0.932 25509 6118 1 9 . 1 1 64 64 SER C C 64 176.376 176.376 175.230 1.146 25509 6119 1 9 . 1 1 64 64 SER CA C 64 60.925 60.925 61.111 -0.187 25509 6120 1 9 . 1 1 64 64 SER H H 64 7.205 7.205 7.953 -0.748 25509 6121 1 9 . 1 1 65 65 LYS N N 65 121.823 121.823 118.653 3.170 25509 6122 1 9 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.133 -0.058 25509 6123 1 9 . 1 1 65 65 LYS C C 65 178.346 178.346 177.123 1.223 25509 6124 1 9 . 1 1 65 65 LYS CA C 65 57.294 57.294 57.575 -0.281 25509 6125 1 9 . 1 1 65 65 LYS H H 65 7.294 7.294 7.312 -0.018 25509 6126 1 9 . 1 1 66 66 TRP N N 66 120.291 120.291 119.822 0.469 25509 6127 1 9 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.564 -0.090 25509 6128 1 9 . 1 1 66 66 TRP CA C 66 56.009 56.009 57.326 -1.317 25509 6129 1 9 . 1 1 66 66 TRP H H 66 7.834 7.834 7.164 0.670 25509 6130 1 9 . 1 1 69 69 HIS C C 69 176.475 176.475 174.575 1.900 25509 6131 1 9 . 1 1 69 69 HIS CA C 69 56.029 56.029 56.064 -0.035 25509 6132 1 9 . 1 1 70 70 ARG N N 70 121.733 121.733 123.084 -1.351 25509 6133 1 9 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.121 -0.624 25509 6134 1 9 . 1 1 70 70 ARG C C 70 175.806 175.806 176.838 -1.032 25509 6135 1 9 . 1 1 70 70 ARG CA C 70 57.342 57.342 57.957 -0.615 25509 6136 1 9 . 1 1 70 70 ARG H H 70 8.527 8.527 8.401 0.126 25509 6137 1 9 . 1 1 71 71 ASP N N 71 116.800 116.800 116.292 0.508 25509 6138 1 9 . 1 1 71 71 ASP C C 71 175.213 175.213 176.012 -0.799 25509 6139 1 9 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.583 -2.556 25509 6140 1 9 . 1 1 71 71 ASP H H 71 8.599 8.599 8.471 0.128 25509 6141 1 9 . 1 1 72 72 GLN N N 72 119.761 119.761 117.519 2.242 25509 6142 1 9 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.334 0.188 25509 6143 1 9 . 1 1 72 72 GLN C C 72 172.972 172.972 175.255 -2.283 25509 6144 1 9 . 1 1 72 72 GLN CA C 72 53.807 53.807 56.207 -2.400 25509 6145 1 9 . 1 1 72 72 GLN H H 72 7.629 7.629 8.243 -0.614 25509 6146 1 9 . 1 1 73 73 GLU N N 73 117.994 117.994 117.244 0.750 25509 6147 1 9 . 1 1 73 73 GLU C C 73 176.011 176.011 175.674 0.337 25509 6148 1 9 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.044 -0.148 25509 6149 1 9 . 1 1 73 73 GLU H H 73 7.984 7.984 8.480 -0.496 25509 6150 1 9 . 1 1 74 74 TYR N N 74 120.098 120.098 121.341 -1.243 25509 6151 1 9 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.924 0.199 25509 6152 1 9 . 1 1 74 74 TYR C C 74 174.675 174.675 173.766 0.909 25509 6153 1 9 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.471 -0.729 25509 6154 1 9 . 1 1 74 74 TYR H H 74 8.860 8.860 9.046 -0.186 25509 6155 1 9 . 1 1 75 75 GLU N N 75 123.539 123.539 123.519 0.020 25509 6156 1 9 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.114 -0.221 25509 6157 1 9 . 1 1 75 75 GLU C C 75 175.614 175.614 174.773 0.841 25509 6158 1 9 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.129 0.442 25509 6159 1 9 . 1 1 75 75 GLU H H 75 9.321 9.321 8.503 0.818 25509 6160 1 9 . 1 1 76 76 VAL N N 76 128.647 128.647 127.574 1.073 25509 6161 1 9 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.308 -0.122 25509 6162 1 9 . 1 1 76 76 VAL C C 76 175.004 175.004 175.203 -0.199 25509 6163 1 9 . 1 1 76 76 VAL CA C 76 60.376 60.376 60.772 -0.396 25509 6164 1 9 . 1 1 76 76 VAL H H 76 9.399 9.399 8.952 0.447 25509 6165 1 9 . 1 1 77 77 THR N N 77 126.297 126.297 123.731 2.566 25509 6166 1 9 . 1 1 77 77 THR HA H 77 5.223 5.223 4.779 0.444 25509 6167 1 9 . 1 1 77 77 THR C C 77 173.353 173.353 173.603 -0.250 25509 6168 1 9 . 1 1 77 77 THR CA C 77 61.442 61.442 62.990 -1.548 25509 6169 1 9 . 1 1 77 77 THR H H 77 9.597 9.597 8.652 0.945 25509 6170 1 9 . 1 1 78 78 TRP N N 78 125.914 125.914 128.932 -3.018 25509 6171 1 9 . 1 1 78 78 TRP HA H 78 5.670 5.670 5.133 0.537 25509 6172 1 9 . 1 1 78 78 TRP C C 78 174.723 174.723 174.393 0.330 25509 6173 1 9 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.159 -6.954 25509 6174 1 9 . 1 1 78 78 TRP H H 78 9.173 9.173 9.398 -0.225 25509 6175 1 9 . 1 1 79 79 TYR N N 79 120.962 120.962 126.174 -5.212 25509 6176 1 9 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.594 0.723 25509 6177 1 9 . 1 1 79 79 TYR CA C 79 56.699 56.699 57.499 -0.800 25509 6178 1 9 . 1 1 79 79 TYR H H 79 9.322 9.322 9.373 -0.051 25509 6179 1 9 . 1 1 80 80 ILE N N 80 125.201 125.201 126.064 -0.863 25509 6180 1 9 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.198 1.731 25509 6181 1 9 . 1 1 80 80 ILE CA C 80 43.836 43.836 59.841 -16.005 25509 6182 1 9 . 1 1 80 80 ILE H H 80 9.634 9.634 7.808 1.826 25509 6183 1 9 . 1 1 86 86 THR HA H 86 3.629 3.629 3.792 -0.163 25509 6184 1 9 . 1 1 86 86 THR C C 86 175.273 175.273 175.974 -0.701 25509 6185 1 9 . 1 1 86 86 THR CA C 86 60.845 60.845 65.626 -4.781 25509 6186 1 9 . 1 1 87 87 LYS N N 87 121.904 121.904 121.665 0.239 25509 6187 1 9 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.289 -0.346 25509 6188 1 9 . 1 1 87 87 LYS C C 87 178.969 178.969 178.401 0.568 25509 6189 1 9 . 1 1 87 87 LYS CA C 87 59.326 59.326 58.965 0.361 25509 6190 1 9 . 1 1 87 87 LYS H H 87 7.728 7.728 8.304 -0.576 25509 6191 1 9 . 1 1 88 88 CYS N N 88 121.877 121.877 119.566 2.311 25509 6192 1 9 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.517 -0.583 25509 6193 1 9 . 1 1 88 88 CYS C C 88 178.168 178.168 177.066 1.102 25509 6194 1 9 . 1 1 88 88 CYS CA C 88 65.201 65.201 62.188 3.013 25509 6195 1 9 . 1 1 88 88 CYS H H 88 8.717 8.717 8.135 0.582 25509 6196 1 9 . 1 1 89 89 ALA N N 89 120.872 120.872 123.332 -2.460 25509 6197 1 9 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.065 -0.176 25509 6198 1 9 . 1 1 89 89 ALA C C 89 179.782 179.782 179.191 0.591 25509 6199 1 9 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.058 0.242 25509 6200 1 9 . 1 1 89 89 ALA H H 89 9.009 9.009 8.038 0.971 25509 6201 1 9 . 1 1 90 90 ARG N N 90 117.797 117.797 117.403 0.394 25509 6202 1 9 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.060 -0.075 25509 6203 1 9 . 1 1 90 90 ARG C C 90 179.333 179.333 178.563 0.770 25509 6204 1 9 . 1 1 90 90 ARG CA C 90 59.353 59.353 58.943 0.410 25509 6205 1 9 . 1 1 90 90 ARG H H 90 7.912 7.912 7.535 0.377 25509 6206 1 9 . 1 1 91 91 ASP N N 91 121.892 121.892 119.933 1.959 25509 6207 1 9 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.394 0.081 25509 6208 1 9 . 1 1 91 91 ASP C C 91 180.593 180.593 178.203 2.390 25509 6209 1 9 . 1 1 91 91 ASP CA C 91 57.329 57.329 57.297 0.032 25509 6210 1 9 . 1 1 91 91 ASP H H 91 8.413 8.413 8.026 0.387 25509 6211 1 9 . 1 1 92 92 MET N N 92 121.165 121.165 118.915 2.250 25509 6212 1 9 . 1 1 92 92 MET HA H 92 4.453 4.453 4.335 0.118 25509 6213 1 9 . 1 1 92 92 MET C C 92 177.594 177.594 177.645 -0.051 25509 6214 1 9 . 1 1 92 92 MET CA C 92 56.255 56.255 60.028 -3.773 25509 6215 1 9 . 1 1 92 92 MET H H 92 8.986 8.986 7.646 1.340 25509 6216 1 9 . 1 1 93 93 ALA N N 93 124.315 124.315 119.732 4.583 25509 6217 1 9 . 1 1 93 93 ALA HA H 93 3.818 3.818 3.981 -0.163 25509 6218 1 9 . 1 1 93 93 ALA C C 93 179.351 179.351 179.557 -0.206 25509 6219 1 9 . 1 1 93 93 ALA CA C 93 55.459 55.459 54.959 0.499 25509 6220 1 9 . 1 1 93 93 ALA H H 93 8.090 8.090 8.343 -0.253 25509 6221 1 9 . 1 1 94 94 THR N N 94 115.375 115.375 115.946 -0.571 25509 6222 1 9 . 1 1 94 94 THR HA H 94 3.854 3.854 4.095 -0.241 25509 6223 1 9 . 1 1 94 94 THR C C 94 175.971 175.971 176.351 -0.380 25509 6224 1 9 . 1 1 94 94 THR CA C 94 66.140 66.140 67.014 -0.874 25509 6225 1 9 . 1 1 94 94 THR H H 94 7.908 7.908 7.640 0.268 25509 6226 1 9 . 1 1 95 95 PHE N N 95 121.559 121.559 123.185 -1.626 25509 6227 1 9 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.683 -0.494 25509 6228 1 9 . 1 1 95 95 PHE C C 95 178.456 178.456 177.021 1.435 25509 6229 1 9 . 1 1 95 95 PHE CA C 95 61.307 61.307 60.816 0.492 25509 6230 1 9 . 1 1 95 95 PHE H H 95 7.845 7.845 8.121 -0.276 25509 6231 1 9 . 1 1 96 96 LEU N N 96 120.614 120.614 119.823 0.791 25509 6232 1 9 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.584 0.167 25509 6233 1 9 . 1 1 96 96 LEU C C 96 179.846 179.846 178.605 1.241 25509 6234 1 9 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.499 -0.378 25509 6235 1 9 . 1 1 96 96 LEU H H 96 8.493 8.493 8.483 0.010 25509 6236 1 9 . 1 1 97 97 GLN N N 97 118.135 118.135 118.090 0.045 25509 6237 1 9 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.063 0.009 25509 6238 1 9 . 1 1 97 97 GLN C C 97 177.940 177.940 177.948 -0.008 25509 6239 1 9 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.650 -0.661 25509 6240 1 9 . 1 1 97 97 GLN H H 97 7.971 7.971 8.067 -0.096 25509 6241 1 9 . 1 1 98 98 GLU N N 98 115.676 115.676 117.747 -2.071 25509 6242 1 9 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.173 0.049 25509 6243 1 9 . 1 1 98 98 GLU C C 98 176.364 176.364 177.547 -1.183 25509 6244 1 9 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.680 -1.215 25509 6245 1 9 . 1 1 98 98 GLU H H 98 7.473 7.473 7.914 -0.441 25509 6246 1 9 . 1 1 99 99 ASN N N 99 121.312 121.312 117.485 3.827 25509 6247 1 9 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.703 0.283 25509 6248 1 9 . 1 1 99 99 ASN C C 99 174.155 174.155 176.823 -2.668 25509 6249 1 9 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.698 -2.740 25509 6250 1 9 . 1 1 99 99 ASN H H 99 7.520 7.520 7.567 -0.047 25509 6251 1 9 . 1 1 100 100 THR N N 100 111.032 111.032 112.806 -1.774 25509 6252 1 9 . 1 1 100 100 THR HA H 100 4.438 4.438 3.894 0.544 25509 6253 1 9 . 1 1 100 100 THR C C 100 174.600 174.600 174.901 -0.301 25509 6254 1 9 . 1 1 100 100 THR CA C 100 63.613 63.613 65.693 -2.080 25509 6255 1 9 . 1 1 100 100 THR H H 100 7.985 7.985 8.350 -0.365 25509 6256 1 9 . 1 1 101 101 HIS C C 101 173.419 173.419 174.476 -1.057 25509 6257 1 9 . 1 1 101 101 HIS CA C 101 56.546 56.546 57.819 -1.273 25509 6258 1 9 . 1 1 102 102 VAL N N 102 123.373 123.373 118.941 4.432 25509 6259 1 9 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.226 -0.583 25509 6260 1 9 . 1 1 102 102 VAL C C 102 174.248 174.248 175.566 -1.318 25509 6261 1 9 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.251 1.764 25509 6262 1 9 . 1 1 102 102 VAL H H 102 7.561 7.561 7.568 -0.007 25509 6263 1 9 . 1 1 103 103 THR N N 103 119.261 119.261 120.594 -1.333 25509 6264 1 9 . 1 1 103 103 THR HA H 103 4.702 4.702 4.676 0.026 25509 6265 1 9 . 1 1 103 103 THR C C 103 173.198 173.198 173.740 -0.542 25509 6266 1 9 . 1 1 103 103 THR CA C 103 59.956 59.956 60.283 -0.327 25509 6267 1 9 . 1 1 103 103 THR H H 103 8.370 8.370 8.975 -0.605 25509 6268 1 9 . 1 1 104 104 LEU N N 104 128.085 128.085 124.681 3.404 25509 6269 1 9 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.860 0.263 25509 6270 1 9 . 1 1 104 104 LEU C C 104 175.009 175.009 175.681 -0.672 25509 6271 1 9 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.764 -0.533 25509 6272 1 9 . 1 1 104 104 LEU H H 104 9.373 9.373 8.068 1.305 25509 6273 1 9 . 1 1 105 105 THR N N 105 126.064 126.064 120.232 5.832 25509 6274 1 9 . 1 1 105 105 THR HA H 105 4.560 4.560 4.890 -0.330 25509 6275 1 9 . 1 1 105 105 THR C C 105 171.873 171.873 174.342 -2.469 25509 6276 1 9 . 1 1 105 105 THR CA C 105 61.546 61.546 61.483 0.063 25509 6277 1 9 . 1 1 105 105 THR H H 105 8.561 8.561 9.064 -0.503 25509 6278 1 9 . 1 1 106 106 ILE N N 106 125.679 125.679 125.252 0.427 25509 6279 1 9 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.696 -0.489 25509 6280 1 9 . 1 1 106 106 ILE C C 106 172.536 172.536 174.870 -2.334 25509 6281 1 9 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.192 -2.305 25509 6282 1 9 . 1 1 106 106 ILE H H 106 9.190 9.190 8.303 0.887 25509 6283 1 9 . 1 1 107 107 PHE N N 107 126.337 126.337 125.358 0.979 25509 6284 1 9 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.710 -0.454 25509 6285 1 9 . 1 1 107 107 PHE C C 107 175.694 175.694 175.474 0.220 25509 6286 1 9 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.541 0.801 25509 6287 1 9 . 1 1 107 107 PHE H H 107 9.135 9.135 9.164 -0.029 25509 6288 1 9 . 1 1 108 108 VAL N N 108 118.789 118.789 121.565 -2.776 25509 6289 1 9 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.515 0.505 25509 6290 1 9 . 1 1 108 108 VAL C C 108 176.539 176.539 174.752 1.787 25509 6291 1 9 . 1 1 108 108 VAL CA C 108 58.498 58.498 60.711 -2.213 25509 6292 1 9 . 1 1 108 108 VAL H H 108 8.936 8.936 8.277 0.659 25509 6293 1 9 . 1 1 109 109 ALA N N 109 129.108 129.108 128.080 1.028 25509 6294 1 9 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.701 -0.177 25509 6295 1 9 . 1 1 109 109 ALA C C 109 175.933 175.933 178.040 -2.107 25509 6296 1 9 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.280 2.758 25509 6297 1 9 . 1 1 109 109 ALA H H 109 8.509 8.509 8.442 0.067 25509 6298 1 9 . 1 1 110 110 ARG N N 110 110.165 110.165 118.287 -8.122 25509 6299 1 9 . 1 1 110 110 ARG HA H 110 4.505 4.505 3.631 0.874 25509 6300 1 9 . 1 1 110 110 ARG C C 110 175.120 175.120 176.198 -1.078 25509 6301 1 9 . 1 1 110 110 ARG CA C 110 54.555 54.555 58.068 -3.513 25509 6302 1 9 . 1 1 110 110 ARG H H 110 6.677 6.677 7.640 -0.963 25509 6303 1 9 . 1 1 111 111 LEU N N 111 119.767 119.767 118.142 1.625 25509 6304 1 9 . 1 1 111 111 LEU HA H 111 4.515 4.515 3.997 0.518 25509 6305 1 9 . 1 1 111 111 LEU CA C 111 53.198 53.198 55.254 -2.056 25509 6306 1 9 . 1 1 111 111 LEU H H 111 7.031 7.031 8.071 -1.040 25509 6307 1 9 . 1 1 117 117 PRO C C 117 178.666 178.666 177.770 0.896 25509 6308 1 9 . 1 1 117 117 PRO CA C 117 64.996 64.996 64.615 0.381 25509 6309 1 9 . 1 1 118 118 ASP N N 118 118.659 118.659 117.757 0.902 25509 6310 1 9 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.647 -0.213 25509 6311 1 9 . 1 1 118 118 ASP C C 118 178.263 178.263 177.857 0.406 25509 6312 1 9 . 1 1 118 118 ASP CA C 118 56.740 56.740 57.015 -0.275 25509 6313 1 9 . 1 1 118 118 ASP H H 118 8.215 8.215 8.683 -0.468 25509 6314 1 9 . 1 1 119 119 TYR N N 119 122.818 122.818 119.880 2.938 25509 6315 1 9 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.241 -0.037 25509 6316 1 9 . 1 1 119 119 TYR C C 119 177.538 177.538 177.314 0.224 25509 6317 1 9 . 1 1 119 119 TYR CA C 119 60.942 60.942 61.582 -0.640 25509 6318 1 9 . 1 1 119 119 TYR H H 119 7.994 7.994 7.460 0.534 25509 6319 1 9 . 1 1 120 120 GLN N N 120 117.143 117.143 118.407 -1.264 25509 6320 1 9 . 1 1 120 120 GLN HA H 120 3.508 3.508 4.011 -0.503 25509 6321 1 9 . 1 1 120 120 GLN C C 120 177.702 177.702 178.414 -0.712 25509 6322 1 9 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.173 -0.187 25509 6323 1 9 . 1 1 120 120 GLN H H 120 7.898 7.898 7.861 0.037 25509 6324 1 9 . 1 1 121 121 GLU N N 121 117.707 117.707 118.247 -0.540 25509 6325 1 9 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.033 -0.142 25509 6326 1 9 . 1 1 121 121 GLU C C 121 178.815 178.815 178.656 0.159 25509 6327 1 9 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.962 -0.358 25509 6328 1 9 . 1 1 121 121 GLU H H 121 7.829 7.829 7.817 0.012 25509 6329 1 9 . 1 1 122 122 ALA N N 122 123.710 123.710 122.548 1.162 25509 6330 1 9 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.041 -0.141 25509 6331 1 9 . 1 1 122 122 ALA C C 122 180.296 180.296 179.690 0.606 25509 6332 1 9 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.712 0.237 25509 6333 1 9 . 1 1 122 122 ALA H H 122 7.881 7.881 7.597 0.284 25509 6334 1 9 . 1 1 123 123 LEU N N 123 119.307 119.307 118.160 1.147 25509 6335 1 9 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.904 -0.113 25509 6336 1 9 . 1 1 123 123 LEU C C 123 179.075 179.075 179.099 -0.024 25509 6337 1 9 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.629 -0.092 25509 6338 1 9 . 1 1 123 123 LEU H H 123 8.073 8.073 7.870 0.203 25509 6339 1 9 . 1 1 124 124 ARG N N 124 118.146 118.146 117.517 0.629 25509 6340 1 9 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.912 -0.080 25509 6341 1 9 . 1 1 124 124 ARG C C 124 179.745 179.745 178.204 1.541 25509 6342 1 9 . 1 1 124 124 ARG CA C 124 60.155 60.155 59.473 0.682 25509 6343 1 9 . 1 1 124 124 ARG H H 124 8.074 8.074 7.880 0.194 25509 6344 1 9 . 1 1 125 125 SER N N 125 117.399 117.399 116.242 1.157 25509 6345 1 9 . 1 1 125 125 SER HA H 125 4.151 4.151 4.207 -0.056 25509 6346 1 9 . 1 1 125 125 SER C C 125 176.389 176.389 176.469 -0.080 25509 6347 1 9 . 1 1 125 125 SER CA C 125 54.752 54.752 61.419 -6.667 25509 6348 1 9 . 1 1 125 125 SER H H 125 8.471 8.471 7.813 0.658 25509 6349 1 9 . 1 1 126 126 LEU N N 126 125.924 125.924 123.286 2.638 25509 6350 1 9 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.005 -0.035 25509 6351 1 9 . 1 1 126 126 LEU C C 126 177.721 177.721 178.926 -1.205 25509 6352 1 9 . 1 1 126 126 LEU CA C 126 57.423 57.423 58.242 -0.819 25509 6353 1 9 . 1 1 126 126 LEU H H 126 7.621 7.621 7.451 0.170 25509 6354 1 9 . 1 1 127 127 ALA N N 127 122.932 122.932 119.907 3.025 25509 6355 1 9 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.346 0.330 25509 6356 1 9 . 1 1 127 127 ALA C C 127 182.614 182.614 180.024 2.590 25509 6357 1 9 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.408 -0.434 25509 6358 1 9 . 1 1 127 127 ALA H H 127 7.973 7.973 7.767 0.206 25509 6359 1 9 . 1 1 128 128 GLN N N 128 120.408 120.408 119.049 1.359 25509 6360 1 9 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.092 -0.063 25509 6361 1 9 . 1 1 128 128 GLN C C 128 177.613 177.613 176.911 0.702 25509 6362 1 9 . 1 1 128 128 GLN CA C 128 58.051 58.051 57.987 0.064 25509 6363 1 9 . 1 1 128 128 GLN H H 128 8.690 8.690 8.103 0.587 25509 6364 1 9 . 1 1 129 129 ALA N N 129 120.391 120.391 119.929 0.462 25509 6365 1 9 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.322 -0.039 25509 6366 1 9 . 1 1 129 129 ALA C C 129 177.019 177.019 177.124 -0.105 25509 6367 1 9 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.324 -0.153 25509 6368 1 9 . 1 1 129 129 ALA H H 129 7.542 7.542 7.455 0.087 25509 6369 1 9 . 1 1 130 130 GLY N N 130 104.533 104.533 103.626 0.907 25509 6370 1 9 . 1 1 130 130 GLY C C 130 175.291 175.291 172.811 2.480 25509 6371 1 9 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.558 -0.283 25509 6372 1 9 . 1 1 130 130 GLY H H 130 7.760 7.760 7.504 0.256 25509 6373 1 9 . 1 1 131 131 ALA N N 131 124.759 124.759 121.751 3.008 25509 6374 1 9 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.345 -0.758 25509 6375 1 9 . 1 1 131 131 ALA C C 131 177.045 177.045 175.956 1.089 25509 6376 1 9 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.134 1.480 25509 6377 1 9 . 1 1 131 131 ALA H H 131 7.543 7.543 7.363 0.180 25509 6378 1 9 . 1 1 132 132 THR N N 132 120.565 120.565 116.395 4.170 25509 6379 1 9 . 1 1 132 132 THR HA H 132 4.293 4.293 4.629 -0.336 25509 6380 1 9 . 1 1 132 132 THR C C 132 172.940 172.940 173.132 -0.192 25509 6381 1 9 . 1 1 132 132 THR CA C 132 62.285 62.285 61.864 0.421 25509 6382 1 9 . 1 1 132 132 THR H H 132 7.983 7.983 8.788 -0.805 25509 6383 1 9 . 1 1 133 133 ILE N N 133 128.874 128.874 127.575 1.299 25509 6384 1 9 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.685 0.020 25509 6385 1 9 . 1 1 133 133 ILE C C 133 173.707 173.707 174.941 -1.234 25509 6386 1 9 . 1 1 133 133 ILE CA C 133 59.898 59.898 60.367 -0.469 25509 6387 1 9 . 1 1 133 133 ILE H H 133 8.641 8.641 8.588 0.053 25509 6388 1 9 . 1 1 134 134 LYS N N 134 125.904 125.904 126.811 -0.907 25509 6389 1 9 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.624 -0.134 25509 6390 1 9 . 1 1 134 134 LYS C C 134 174.736 174.736 174.639 0.097 25509 6391 1 9 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.587 0.319 25509 6392 1 9 . 1 1 134 134 LYS H H 134 8.878 8.878 8.397 0.481 25509 6393 1 9 . 1 1 135 135 ILE N N 135 121.444 121.444 122.702 -1.258 25509 6394 1 9 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.358 0.286 25509 6395 1 9 . 1 1 135 135 ILE C C 135 177.563 177.563 177.544 0.019 25509 6396 1 9 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.242 -3.408 25509 6397 1 9 . 1 1 135 135 ILE H H 135 8.601 8.601 8.509 0.092 25509 6398 1 9 . 1 1 136 136 MET N N 136 124.557 124.557 123.108 1.449 25509 6399 1 9 . 1 1 136 136 MET HA H 136 3.741 3.741 4.576 -0.835 25509 6400 1 9 . 1 1 136 136 MET C C 136 174.070 174.070 174.146 -0.076 25509 6401 1 9 . 1 1 136 136 MET CA C 136 58.298 58.298 57.046 1.252 25509 6402 1 9 . 1 1 136 136 MET H H 136 8.550 8.550 7.969 0.581 25509 6403 1 9 . 1 1 137 137 ASN N N 137 126.678 126.678 119.705 6.973 25509 6404 1 9 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.102 -0.094 25509 6405 1 9 . 1 1 137 137 ASN C C 137 174.733 174.733 176.217 -1.484 25509 6406 1 9 . 1 1 137 137 ASN CA C 137 50.894 50.894 51.983 -1.089 25509 6407 1 9 . 1 1 137 137 ASN H H 137 9.480 9.480 7.980 1.500 25509 6408 1 9 . 1 1 138 138 TYR N N 138 123.587 123.587 124.008 -0.421 25509 6409 1 9 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.541 -0.700 25509 6410 1 9 . 1 1 138 138 TYR C C 138 176.154 176.154 176.745 -0.591 25509 6411 1 9 . 1 1 138 138 TYR CA C 138 63.811 63.811 61.778 2.033 25509 6412 1 9 . 1 1 138 138 TYR H H 138 9.914 9.914 9.128 0.786 25509 6413 1 9 . 1 1 139 139 ASP N N 139 116.024 116.024 117.811 -1.787 25509 6414 1 9 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.166 -0.050 25509 6415 1 9 . 1 1 139 139 ASP C C 139 179.067 179.067 177.871 1.196 25509 6416 1 9 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.357 0.134 25509 6417 1 9 . 1 1 139 139 ASP H H 139 8.976 8.976 8.814 0.162 25509 6418 1 9 . 1 1 140 140 GLU N N 140 118.087 118.087 120.642 -2.555 25509 6419 1 9 . 1 1 140 140 GLU HA H 140 3.826 3.826 3.855 -0.029 25509 6420 1 9 . 1 1 140 140 GLU C C 140 178.692 178.692 178.246 0.446 25509 6421 1 9 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.542 2.058 25509 6422 1 9 . 1 1 140 140 GLU H H 140 7.540 7.540 8.353 -0.813 25509 6423 1 9 . 1 1 141 141 PHE N N 141 119.608 119.608 120.418 -0.810 25509 6424 1 9 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.597 -0.809 25509 6425 1 9 . 1 1 141 141 PHE C C 141 176.881 176.881 178.328 -1.447 25509 6426 1 9 . 1 1 141 141 PHE CA C 141 62.703 62.703 62.202 0.501 25509 6427 1 9 . 1 1 141 141 PHE H H 141 8.032 8.032 7.618 0.414 25509 6428 1 9 . 1 1 142 142 GLN N N 142 118.759 118.759 119.941 -1.182 25509 6429 1 9 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.079 -0.058 25509 6430 1 9 . 1 1 142 142 GLN C C 142 177.945 177.945 178.114 -0.169 25509 6431 1 9 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.253 -0.474 25509 6432 1 9 . 1 1 142 142 GLN H H 142 8.223 8.223 8.534 -0.311 25509 6433 1 9 . 1 1 143 143 HIS N N 143 120.774 120.774 119.994 0.780 25509 6434 1 9 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.458 -0.480 25509 6435 1 9 . 1 1 143 143 HIS C C 143 177.147 177.147 177.511 -0.364 25509 6436 1 9 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.195 0.172 25509 6437 1 9 . 1 1 143 143 HIS H H 143 7.924 7.924 7.479 0.445 25509 6438 1 9 . 1 1 144 144 CYS N N 144 117.600 117.600 119.111 -1.511 25509 6439 1 9 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.032 -0.194 25509 6440 1 9 . 1 1 144 144 CYS C C 144 176.233 176.233 176.477 -0.244 25509 6441 1 9 . 1 1 144 144 CYS CA C 144 62.852 62.852 64.043 -1.191 25509 6442 1 9 . 1 1 144 144 CYS H H 144 7.892 7.892 8.608 -0.716 25509 6443 1 9 . 1 1 145 145 TRP N N 145 120.806 120.806 122.634 -1.828 25509 6444 1 9 . 1 1 145 145 TRP HA H 145 3.269 3.269 4.084 -0.815 25509 6445 1 9 . 1 1 145 145 TRP C C 145 177.085 177.085 176.945 0.140 25509 6446 1 9 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.505 -1.052 25509 6447 1 9 . 1 1 145 145 TRP H H 145 8.201 8.201 9.154 -0.953 25509 6448 1 9 . 1 1 146 146 SER N N 146 111.555 111.555 113.292 -1.737 25509 6449 1 9 . 1 1 146 146 SER C C 146 176.199 176.199 176.730 -0.531 25509 6450 1 9 . 1 1 146 146 SER CA C 146 60.827 60.827 61.153 -0.326 25509 6451 1 9 . 1 1 146 146 SER H H 146 8.032 8.032 7.815 0.217 25509 6452 1 9 . 1 1 147 147 LYS N N 147 115.563 115.563 122.487 -6.924 25509 6453 1 9 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.344 -0.370 25509 6454 1 9 . 1 1 147 147 LYS C C 147 177.448 177.448 178.206 -0.758 25509 6455 1 9 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.547 -2.083 25509 6456 1 9 . 1 1 147 147 LYS H H 147 7.684 7.684 7.388 0.296 25509 6457 1 9 . 1 1 148 148 PHE N N 148 113.648 113.648 117.879 -4.231 25509 6458 1 9 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.469 0.008 25509 6459 1 9 . 1 1 148 148 PHE C C 148 174.293 174.293 175.110 -0.817 25509 6460 1 9 . 1 1 148 148 PHE CA C 148 58.180 58.180 56.648 1.532 25509 6461 1 9 . 1 1 148 148 PHE H H 148 8.134 8.134 8.492 -0.358 25509 6462 1 9 . 1 1 149 149 VAL N N 149 119.139 119.139 117.318 1.821 25509 6463 1 9 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.881 0.228 25509 6464 1 9 . 1 1 149 149 VAL C C 149 175.690 175.690 174.681 1.009 25509 6465 1 9 . 1 1 149 149 VAL CA C 149 60.309 60.309 60.642 -0.333 25509 6466 1 9 . 1 1 149 149 VAL H H 149 6.787 6.787 7.183 -0.396 25509 6467 1 9 . 1 1 150 150 TYR N N 150 129.042 129.042 121.640 7.402 25509 6468 1 9 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.179 0.385 25509 6469 1 9 . 1 1 150 150 TYR C C 150 173.826 173.826 177.528 -3.702 25509 6470 1 9 . 1 1 150 150 TYR CA C 150 55.580 55.580 61.010 -5.430 25509 6471 1 9 . 1 1 150 150 TYR H H 150 8.552 8.552 8.240 0.312 25509 6472 1 9 . 1 1 151 151 SER N N 151 119.931 119.931 114.301 5.630 25509 6473 1 9 . 1 1 151 151 SER HA H 151 4.585 4.585 4.188 0.397 25509 6474 1 9 . 1 1 151 151 SER C C 151 176.209 176.209 174.674 1.535 25509 6475 1 9 . 1 1 151 151 SER CA C 151 57.497 57.497 60.016 -2.519 25509 6476 1 9 . 1 1 151 151 SER H H 151 7.787 7.787 7.857 -0.070 25509 6477 1 9 . 1 1 152 152 GLN N N 152 120.381 120.381 118.873 1.508 25509 6478 1 9 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.133 -0.418 25509 6479 1 9 . 1 1 152 152 GLN C C 152 175.787 175.787 175.655 0.132 25509 6480 1 9 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.795 -0.319 25509 6481 1 9 . 1 1 152 152 GLN H H 152 8.386 8.386 8.158 0.228 25509 6482 1 9 . 1 1 153 153 GLY N N 153 106.086 106.086 108.052 -1.966 25509 6483 1 9 . 1 1 153 153 GLY C C 153 174.309 174.309 173.875 0.434 25509 6484 1 9 . 1 1 153 153 GLY CA C 153 44.902 44.902 44.812 0.090 25509 6485 1 9 . 1 1 153 153 GLY H H 153 8.047 8.047 8.521 -0.474 25509 6486 1 9 . 1 1 154 154 ALA N N 154 125.790 125.790 123.276 2.514 25509 6487 1 9 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.684 -0.102 25509 6488 1 9 . 1 1 154 154 ALA C C 154 176.022 176.022 176.073 -0.051 25509 6489 1 9 . 1 1 154 154 ALA CA C 154 49.894 49.894 50.355 -0.461 25509 6490 1 9 . 1 1 154 154 ALA H H 154 7.562 7.562 7.942 -0.380 25509 6491 1 9 . 1 1 155 155 PRO C C 155 175.578 175.578 175.222 0.356 25509 6492 1 9 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.463 -0.802 25509 6493 1 9 . 1 1 156 156 PHE N N 156 121.116 121.116 123.418 -2.302 25509 6494 1 9 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.090 -1.744 25509 6495 1 9 . 1 1 156 156 PHE C C 156 174.254 174.254 173.880 0.374 25509 6496 1 9 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.273 -0.859 25509 6497 1 9 . 1 1 156 156 PHE H H 156 8.288 8.288 8.125 0.163 25509 6498 1 9 . 1 1 157 157 GLN N N 157 129.600 129.600 126.852 2.748 25509 6499 1 9 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.647 -0.341 25509 6500 1 9 . 1 1 157 157 GLN C C 157 171.628 171.628 173.587 -1.959 25509 6501 1 9 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.165 -1.650 25509 6502 1 9 . 1 1 157 157 GLN H H 157 7.205 7.205 7.923 -0.718 25509 6503 1 9 . 1 1 158 158 PRO C C 158 175.224 175.224 175.506 -0.282 25509 6504 1 9 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.653 -0.930 25509 6505 1 9 . 1 1 159 159 TRP N N 159 117.795 117.795 124.164 -6.369 25509 6506 1 9 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.828 -0.130 25509 6507 1 9 . 1 1 159 159 TRP C C 159 175.906 175.906 176.828 -0.922 25509 6508 1 9 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.934 -2.406 25509 6509 1 9 . 1 1 159 159 TRP H H 159 5.628 5.628 7.264 -1.636 25509 6510 1 9 . 1 1 160 160 ASP N N 160 122.363 122.363 122.742 -0.379 25509 6511 1 9 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.659 -0.336 25509 6512 1 9 . 1 1 160 160 ASP C C 160 177.598 177.598 176.431 1.167 25509 6513 1 9 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.487 0.908 25509 6514 1 9 . 1 1 160 160 ASP H H 160 8.766 8.766 8.620 0.146 25509 6515 1 9 . 1 1 161 161 GLY N N 161 111.982 111.982 107.062 4.920 25509 6516 1 9 . 1 1 161 161 GLY C C 161 173.833 173.833 174.793 -0.960 25509 6517 1 9 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.057 0.325 25509 6518 1 9 . 1 1 161 161 GLY H H 161 8.887 8.887 7.887 1.000 25509 6519 1 9 . 1 1 162 162 LEU N N 162 121.971 121.971 121.597 0.374 25509 6520 1 9 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.228 0.044 25509 6521 1 9 . 1 1 162 162 LEU C C 162 179.345 179.345 177.595 1.750 25509 6522 1 9 . 1 1 162 162 LEU CA C 162 60.554 60.554 58.058 2.496 25509 6523 1 9 . 1 1 162 162 LEU H H 162 7.078 7.078 8.249 -1.171 25509 6524 1 9 . 1 1 163 163 ASP N N 163 118.366 118.366 118.379 -0.013 25509 6525 1 9 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.453 0.006 25509 6526 1 9 . 1 1 163 163 ASP C C 163 178.182 178.182 178.355 -0.173 25509 6527 1 9 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.647 -0.539 25509 6528 1 9 . 1 1 163 163 ASP H H 163 8.679 8.679 8.542 0.137 25509 6529 1 9 . 1 1 164 164 GLU N N 164 121.998 121.998 118.233 3.765 25509 6530 1 9 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.092 -0.157 25509 6531 1 9 . 1 1 164 164 GLU C C 164 180.355 180.355 178.929 1.426 25509 6532 1 9 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.358 0.256 25509 6533 1 9 . 1 1 164 164 GLU H H 164 8.374 8.374 8.627 -0.253 25509 6534 1 9 . 1 1 165 165 HIS N N 165 120.268 120.268 118.793 1.475 25509 6535 1 9 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.538 0.064 25509 6536 1 9 . 1 1 165 165 HIS C C 165 178.924 178.924 177.851 1.073 25509 6537 1 9 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.281 0.113 25509 6538 1 9 . 1 1 165 165 HIS H H 165 8.707 8.707 8.437 0.270 25509 6539 1 9 . 1 1 166 166 SER N N 166 118.252 118.252 116.390 1.862 25509 6540 1 9 . 1 1 166 166 SER HA H 166 4.400 4.400 4.351 0.049 25509 6541 1 9 . 1 1 166 166 SER C C 166 177.421 177.421 176.218 1.203 25509 6542 1 9 . 1 1 166 166 SER CA C 166 63.202 63.202 63.033 0.169 25509 6543 1 9 . 1 1 166 166 SER H H 166 8.649 8.649 8.613 0.036 25509 6544 1 9 . 1 1 167 167 GLN N N 167 121.647 121.647 119.700 1.947 25509 6545 1 9 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.187 -0.011 25509 6546 1 9 . 1 1 167 167 GLN C C 167 179.643 179.643 177.663 1.980 25509 6547 1 9 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.380 0.402 25509 6548 1 9 . 1 1 167 167 GLN H H 167 8.645 8.645 8.194 0.451 25509 6549 1 9 . 1 1 168 168 ALA N N 168 124.242 124.242 123.305 0.937 25509 6550 1 9 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.120 0.129 25509 6551 1 9 . 1 1 168 168 ALA C C 168 181.949 181.949 179.594 2.355 25509 6552 1 9 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.734 0.145 25509 6553 1 9 . 1 1 168 168 ALA H H 168 8.092 8.092 7.662 0.430 25509 6554 1 9 . 1 1 169 169 LEU N N 169 120.509 120.509 118.538 1.971 25509 6555 1 9 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.078 0.009 25509 6556 1 9 . 1 1 169 169 LEU C C 169 179.159 179.159 178.937 0.222 25509 6557 1 9 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.228 0.375 25509 6558 1 9 . 1 1 169 169 LEU H H 169 8.526 8.526 8.046 0.480 25509 6559 1 9 . 1 1 170 170 SER N N 170 117.410 117.410 115.086 2.324 25509 6560 1 9 . 1 1 170 170 SER HA H 170 4.128 4.128 4.153 -0.025 25509 6561 1 9 . 1 1 170 170 SER C C 170 178.370 178.370 177.034 1.336 25509 6562 1 9 . 1 1 170 170 SER CA C 170 62.240 62.240 62.356 -0.116 25509 6563 1 9 . 1 1 170 170 SER H H 170 8.853 8.853 7.922 0.931 25509 6564 1 9 . 1 1 171 171 GLY N N 171 111.058 111.058 108.374 2.684 25509 6565 1 9 . 1 1 171 171 GLY C C 171 176.376 176.376 176.027 0.349 25509 6566 1 9 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.818 -0.145 25509 6567 1 9 . 1 1 171 171 GLY H H 171 8.175 8.175 7.950 0.225 25509 6568 1 9 . 1 1 172 172 ARG N N 172 123.131 123.131 121.002 2.129 25509 6569 1 9 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.181 0.010 25509 6570 1 9 . 1 1 172 172 ARG C C 172 178.807 178.807 178.588 0.219 25509 6571 1 9 . 1 1 172 172 ARG CA C 172 58.189 58.189 56.857 1.332 25509 6572 1 9 . 1 1 172 172 ARG H H 172 7.578 7.578 7.536 0.042 25509 6573 1 9 . 1 1 173 173 LEU N N 173 120.594 120.594 120.663 -0.069 25509 6574 1 9 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.209 -0.217 25509 6575 1 9 . 1 1 173 173 LEU C C 173 178.396 178.396 178.326 0.070 25509 6576 1 9 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.214 -0.753 25509 6577 1 9 . 1 1 173 173 LEU H H 173 8.813 8.813 7.784 1.029 25509 6578 1 9 . 1 1 174 174 GLY N N 174 105.456 105.456 106.302 -0.846 25509 6579 1 9 . 1 1 174 174 GLY C C 174 176.170 176.170 176.044 0.126 25509 6580 1 9 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.688 -0.047 25509 6581 1 9 . 1 1 174 174 GLY H H 174 8.221 8.221 7.767 0.454 25509 6582 1 9 . 1 1 175 175 GLU N N 175 120.171 120.171 122.119 -1.948 25509 6583 1 9 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.093 -0.013 25509 6584 1 9 . 1 1 175 175 GLU C C 175 179.100 179.100 178.879 0.221 25509 6585 1 9 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.574 -0.124 25509 6586 1 9 . 1 1 175 175 GLU H H 175 7.478 7.478 7.639 -0.161 25509 6587 1 9 . 1 1 176 176 ILE N N 176 119.642 119.642 119.676 -0.034 25509 6588 1 9 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.719 -0.039 25509 6589 1 9 . 1 1 176 176 ILE C C 176 177.560 177.560 177.809 -0.249 25509 6590 1 9 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.375 -0.899 25509 6591 1 9 . 1 1 176 176 ILE H H 176 7.755 7.755 7.740 0.015 25509 6592 1 9 . 1 1 177 177 LEU N N 177 116.019 116.019 118.712 -2.693 25509 6593 1 9 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.274 -0.183 25509 6594 1 9 . 1 1 177 177 LEU C C 177 177.520 177.520 177.564 -0.044 25509 6595 1 9 . 1 1 177 177 LEU CA C 177 55.252 55.252 57.008 -1.756 25509 6596 1 9 . 1 1 177 177 LEU H H 177 8.067 8.067 7.295 0.772 25509 6597 1 9 . 1 1 178 178 ARG N N 178 118.755 118.755 117.966 0.789 25509 6598 1 9 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.113 0.026 25509 6599 1 9 . 1 1 178 178 ARG C C 178 175.953 175.953 177.160 -1.207 25509 6600 1 9 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.846 -1.163 25509 6601 1 9 . 1 1 178 178 ARG H H 178 7.566 7.566 7.400 0.166 25509 6602 1 9 . 1 1 179 179 HIS N N 179 120.648 120.648 120.146 0.502 25509 6603 1 9 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.666 -0.054 25509 6604 1 9 . 1 1 179 179 HIS C C 179 174.365 174.365 174.119 0.246 25509 6605 1 9 . 1 1 179 179 HIS CA C 179 55.781 55.781 55.201 0.580 25509 6606 1 9 . 1 1 179 179 HIS H H 179 8.140 8.140 8.333 -0.193 25509 6607 1 10 . 1 1 2 2 ASP N N 2 123.241 123.241 120.481 2.760 25509 6608 1 10 . 1 1 2 2 ASP C C 2 174.657 174.657 173.929 0.728 25509 6609 1 10 . 1 1 2 2 ASP CA C 2 52.100 52.100 52.601 -0.501 25509 6610 1 10 . 1 1 2 2 ASP H H 2 8.114 8.114 7.876 0.238 25509 6611 1 10 . 1 1 3 3 PRO C C 3 178.464 178.464 175.651 2.813 25509 6612 1 10 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.175 3.324 25509 6613 1 10 . 1 1 4 4 ASP N N 4 118.258 118.258 124.131 -5.873 25509 6614 1 10 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.644 -0.196 25509 6615 1 10 . 1 1 4 4 ASP C C 4 178.808 178.808 176.972 1.836 25509 6616 1 10 . 1 1 4 4 ASP CA C 4 57.247 57.247 55.878 1.369 25509 6617 1 10 . 1 1 4 4 ASP H H 4 8.509 8.509 8.916 -0.407 25509 6618 1 10 . 1 1 5 5 THR N N 5 119.780 119.780 114.757 5.023 25509 6619 1 10 . 1 1 5 5 THR HA H 5 3.859 3.859 4.416 -0.557 25509 6620 1 10 . 1 1 5 5 THR C C 5 177.699 177.699 175.784 1.915 25509 6621 1 10 . 1 1 5 5 THR CA C 5 66.182 66.182 65.076 1.105 25509 6622 1 10 . 1 1 5 5 THR H H 5 8.150 8.150 8.675 -0.525 25509 6623 1 10 . 1 1 6 6 PHE N N 6 124.329 124.329 122.462 1.867 25509 6624 1 10 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.830 -0.626 25509 6625 1 10 . 1 1 6 6 PHE C C 6 176.665 176.665 176.981 -0.316 25509 6626 1 10 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.241 0.559 25509 6627 1 10 . 1 1 6 6 PHE H H 6 8.297 8.297 8.234 0.063 25509 6628 1 10 . 1 1 7 7 SER N N 7 116.185 116.185 113.922 2.263 25509 6629 1 10 . 1 1 7 7 SER C C 7 176.138 176.138 175.352 0.786 25509 6630 1 10 . 1 1 7 7 SER CA C 7 61.480 61.480 60.818 0.662 25509 6631 1 10 . 1 1 7 7 SER H H 7 8.752 8.752 8.653 0.099 25509 6632 1 10 . 1 1 8 8 TYR N N 8 118.689 118.689 120.726 -2.037 25509 6633 1 10 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.447 -0.400 25509 6634 1 10 . 1 1 8 8 TYR C C 8 177.077 177.077 176.291 0.786 25509 6635 1 10 . 1 1 8 8 TYR CA C 8 60.282 60.282 60.197 0.085 25509 6636 1 10 . 1 1 8 8 TYR H H 8 7.967 7.967 7.751 0.216 25509 6637 1 10 . 1 1 9 9 ASN N N 9 113.034 113.034 113.695 -0.661 25509 6638 1 10 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.790 -0.560 25509 6639 1 10 . 1 1 9 9 ASN C C 9 175.101 175.101 175.086 0.015 25509 6640 1 10 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.561 2.526 25509 6641 1 10 . 1 1 9 9 ASN H H 9 7.577 7.577 7.939 -0.362 25509 6642 1 10 . 1 1 10 10 PHE N N 10 117.719 117.719 119.799 -2.080 25509 6643 1 10 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.365 -0.489 25509 6644 1 10 . 1 1 10 10 PHE C C 10 171.880 171.880 174.686 -2.806 25509 6645 1 10 . 1 1 10 10 PHE CA C 10 58.762 58.762 58.401 0.361 25509 6646 1 10 . 1 1 10 10 PHE H H 10 8.655 8.655 7.788 0.867 25509 6647 1 10 . 1 1 11 11 ASN N N 11 114.885 114.885 116.912 -2.027 25509 6648 1 10 . 1 1 11 11 ASN C C 11 174.730 174.730 174.684 0.046 25509 6649 1 10 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.633 -0.194 25509 6650 1 10 . 1 1 11 11 ASN H H 11 6.097 6.097 7.680 -1.583 25509 6651 1 10 . 1 1 12 12 ASN N N 12 121.039 121.039 118.710 2.329 25509 6652 1 10 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.656 -0.291 25509 6653 1 10 . 1 1 12 12 ASN C C 12 174.578 174.578 175.284 -0.706 25509 6654 1 10 . 1 1 12 12 ASN CA C 12 51.417 51.417 54.156 -2.739 25509 6655 1 10 . 1 1 12 12 ASN H H 12 6.688 6.688 9.114 -2.426 25509 6656 1 10 . 1 1 13 13 ARG N N 13 119.646 119.646 118.907 0.739 25509 6657 1 10 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.303 -0.715 25509 6658 1 10 . 1 1 13 13 ARG C C 13 175.049 175.049 175.961 -0.912 25509 6659 1 10 . 1 1 13 13 ARG CA C 13 54.330 54.330 58.909 -4.579 25509 6660 1 10 . 1 1 13 13 ARG H H 13 7.589 7.589 8.164 -0.575 25509 6661 1 10 . 1 1 14 14 PRO C C 14 176.477 176.477 176.712 -0.235 25509 6662 1 10 . 1 1 14 14 PRO CA C 14 63.180 63.180 63.148 0.032 25509 6663 1 10 . 1 1 15 15 ILE N N 15 120.304 120.304 118.643 1.661 25509 6664 1 10 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.701 0.582 25509 6665 1 10 . 1 1 15 15 ILE C C 15 175.956 175.956 174.332 1.624 25509 6666 1 10 . 1 1 15 15 ILE CA C 15 60.026 60.026 60.880 -0.854 25509 6667 1 10 . 1 1 15 15 ILE H H 15 7.827 7.827 8.182 -0.355 25509 6668 1 10 . 1 1 16 16 LEU N N 16 124.585 124.585 124.768 -0.183 25509 6669 1 10 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.587 -0.286 25509 6670 1 10 . 1 1 16 16 LEU C C 16 177.213 177.213 175.950 1.263 25509 6671 1 10 . 1 1 16 16 LEU CA C 16 55.089 55.089 54.141 0.948 25509 6672 1 10 . 1 1 16 16 LEU H H 16 8.283 8.283 7.653 0.630 25509 6673 1 10 . 1 1 17 17 SER N N 17 115.176 115.176 117.575 -2.399 25509 6674 1 10 . 1 1 17 17 SER C C 17 173.733 173.733 173.498 0.235 25509 6675 1 10 . 1 1 17 17 SER CA C 17 57.371 57.371 58.231 -0.860 25509 6676 1 10 . 1 1 17 17 SER H H 17 7.782 7.782 8.440 -0.658 25509 6677 1 10 . 1 1 18 18 ARG N N 18 122.072 122.072 124.658 -2.586 25509 6678 1 10 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.599 -0.395 25509 6679 1 10 . 1 1 18 18 ARG C C 18 176.524 176.524 174.977 1.547 25509 6680 1 10 . 1 1 18 18 ARG CA C 18 55.944 55.944 54.651 1.293 25509 6681 1 10 . 1 1 18 18 ARG H H 18 8.318 8.318 8.140 0.178 25509 6682 1 10 . 1 1 21 21 THR HA H 21 4.574 4.574 4.738 -0.164 25509 6683 1 10 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.436 -0.406 25509 6684 1 10 . 1 1 22 22 VAL CA C 22 61.772 61.772 61.633 0.139 25509 6685 1 10 . 1 1 24 24 LEU HA H 24 5.079 5.079 4.725 0.354 25509 6686 1 10 . 1 1 24 24 LEU C C 24 174.326 174.326 175.214 -0.888 25509 6687 1 10 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.398 -0.195 25509 6688 1 10 . 1 1 25 25 CYS N N 25 126.908 126.908 122.894 4.014 25509 6689 1 10 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.335 -0.636 25509 6690 1 10 . 1 1 25 25 CYS C C 25 173.285 173.285 174.819 -1.534 25509 6691 1 10 . 1 1 25 25 CYS CA C 25 57.086 57.086 59.152 -2.066 25509 6692 1 10 . 1 1 25 25 CYS H H 25 9.325 9.325 8.335 0.990 25509 6693 1 10 . 1 1 26 26 TYR N N 26 120.745 120.745 124.100 -3.355 25509 6694 1 10 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.954 0.346 25509 6695 1 10 . 1 1 26 26 TYR C C 26 173.449 173.449 174.012 -0.563 25509 6696 1 10 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.377 0.205 25509 6697 1 10 . 1 1 26 26 TYR H H 26 9.039 9.039 8.245 0.794 25509 6698 1 10 . 1 1 27 27 GLU N N 27 118.222 118.222 119.420 -1.198 25509 6699 1 10 . 1 1 27 27 GLU C C 27 175.348 175.348 175.124 0.224 25509 6700 1 10 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.408 -0.860 25509 6701 1 10 . 1 1 27 27 GLU H H 27 9.358 9.358 8.694 0.664 25509 6702 1 10 . 1 1 28 28 VAL N N 28 124.182 124.182 123.173 1.009 25509 6703 1 10 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.873 0.041 25509 6704 1 10 . 1 1 28 28 VAL C C 28 174.085 174.085 174.430 -0.345 25509 6705 1 10 . 1 1 28 28 VAL CA C 28 61.231 61.231 61.770 -0.539 25509 6706 1 10 . 1 1 28 28 VAL H H 28 9.479 9.479 9.249 0.230 25509 6707 1 10 . 1 1 29 29 LYS N N 29 127.566 127.566 125.032 2.534 25509 6708 1 10 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.848 0.543 25509 6709 1 10 . 1 1 29 29 LYS C C 29 175.631 175.631 175.096 0.535 25509 6710 1 10 . 1 1 29 29 LYS CA C 29 54.136 54.136 54.151 -0.015 25509 6711 1 10 . 1 1 29 29 LYS H H 29 9.151 9.151 8.801 0.350 25509 6712 1 10 . 1 1 30 30 THR N N 30 118.721 118.721 112.494 6.227 25509 6713 1 10 . 1 1 30 30 THR HA H 30 4.617 4.617 4.291 0.326 25509 6714 1 10 . 1 1 30 30 THR C C 30 173.948 173.948 174.639 -0.691 25509 6715 1 10 . 1 1 30 30 THR CA C 30 61.228 61.228 59.849 1.379 25509 6716 1 10 . 1 1 30 30 THR H H 30 8.615 8.615 7.914 0.701 25509 6717 1 10 . 1 1 31 31 LYS N N 31 125.634 125.634 123.628 2.006 25509 6718 1 10 . 1 1 31 31 LYS HA H 31 3.868 3.868 3.759 0.109 25509 6719 1 10 . 1 1 31 31 LYS C C 31 176.799 176.799 176.409 0.390 25509 6720 1 10 . 1 1 31 31 LYS CA C 31 56.250 56.250 59.193 -2.943 25509 6721 1 10 . 1 1 31 31 LYS H H 31 8.400 8.400 8.986 -0.586 25509 6722 1 10 . 1 1 32 32 GLY N N 32 111.069 111.069 105.820 5.249 25509 6723 1 10 . 1 1 32 32 GLY C C 32 171.007 171.007 172.207 -1.200 25509 6724 1 10 . 1 1 32 32 GLY CA C 32 44.006 44.006 44.904 -0.898 25509 6725 1 10 . 1 1 32 32 GLY H H 32 8.170 8.170 8.020 0.150 25509 6726 1 10 . 1 1 33 33 PRO C C 33 176.964 176.964 176.883 0.081 25509 6727 1 10 . 1 1 33 33 PRO CA C 33 62.675 62.675 63.850 -1.175 25509 6728 1 10 . 1 1 34 34 SER N N 34 117.301 117.301 116.594 0.707 25509 6729 1 10 . 1 1 34 34 SER HA H 34 4.372 4.372 4.431 -0.059 25509 6730 1 10 . 1 1 34 34 SER C C 34 173.728 173.728 173.974 -0.246 25509 6731 1 10 . 1 1 34 34 SER CA C 34 57.933 57.933 58.218 -0.285 25509 6732 1 10 . 1 1 34 34 SER H H 34 8.383 8.383 8.020 0.363 25509 6733 1 10 . 1 1 35 35 ARG N N 35 123.829 123.829 124.905 -1.076 25509 6734 1 10 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.679 -0.107 25509 6735 1 10 . 1 1 35 35 ARG C C 35 173.256 173.256 174.608 -1.352 25509 6736 1 10 . 1 1 35 35 ARG CA C 35 53.217 53.217 53.639 -0.422 25509 6737 1 10 . 1 1 35 35 ARG H H 35 8.153 8.153 8.566 -0.413 25509 6738 1 10 . 1 1 37 37 PRO C C 37 176.060 176.060 176.550 -0.490 25509 6739 1 10 . 1 1 37 37 PRO CA C 37 63.234 63.234 62.939 0.295 25509 6740 1 10 . 1 1 38 38 LEU N N 38 126.508 126.508 123.947 2.561 25509 6741 1 10 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.356 -0.217 25509 6742 1 10 . 1 1 38 38 LEU C C 38 176.490 176.490 177.400 -0.910 25509 6743 1 10 . 1 1 38 38 LEU CA C 38 55.202 55.202 55.341 -0.139 25509 6744 1 10 . 1 1 38 38 LEU H H 38 8.347 8.347 7.861 0.486 25509 6745 1 10 . 1 1 39 39 ASP N N 39 120.060 120.060 117.818 2.242 25509 6746 1 10 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.620 -0.249 25509 6747 1 10 . 1 1 39 39 ASP C C 39 175.525 175.525 174.598 0.927 25509 6748 1 10 . 1 1 39 39 ASP CA C 39 53.948 53.948 54.386 -0.438 25509 6749 1 10 . 1 1 39 39 ASP H H 39 8.299 8.299 8.820 -0.521 25509 6750 1 10 . 1 1 40 40 ALA N N 40 123.020 123.020 122.822 0.198 25509 6751 1 10 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.490 -0.124 25509 6752 1 10 . 1 1 40 40 ALA C C 40 177.243 177.243 176.463 0.780 25509 6753 1 10 . 1 1 40 40 ALA CA C 40 51.583 51.583 51.834 -0.251 25509 6754 1 10 . 1 1 40 40 ALA H H 40 7.972 7.972 7.776 0.196 25509 6755 1 10 . 1 1 41 41 LYS N N 41 120.582 120.582 117.646 2.936 25509 6756 1 10 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.177 0.173 25509 6757 1 10 . 1 1 41 41 LYS C C 41 175.874 175.874 174.975 0.899 25509 6758 1 10 . 1 1 41 41 LYS CA C 41 56.520 56.520 57.249 -0.729 25509 6759 1 10 . 1 1 41 41 LYS H H 41 8.286 8.286 8.312 -0.026 25509 6760 1 10 . 1 1 42 42 ILE N N 42 119.815 119.815 117.541 2.274 25509 6761 1 10 . 1 1 42 42 ILE HA H 42 4.878 4.878 5.125 -0.247 25509 6762 1 10 . 1 1 42 42 ILE C C 42 174.828 174.828 175.425 -0.597 25509 6763 1 10 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.107 -0.229 25509 6764 1 10 . 1 1 42 42 ILE H H 42 7.830 7.830 7.608 0.222 25509 6765 1 10 . 1 1 43 43 PHE N N 43 126.131 126.131 128.541 -2.410 25509 6766 1 10 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.898 -0.013 25509 6767 1 10 . 1 1 43 43 PHE C C 43 173.801 173.801 173.411 0.390 25509 6768 1 10 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.921 -0.648 25509 6769 1 10 . 1 1 43 43 PHE H H 43 8.780 8.780 8.526 0.254 25509 6770 1 10 . 1 1 44 44 ARG N N 44 122.879 122.879 123.089 -0.210 25509 6771 1 10 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.082 0.424 25509 6772 1 10 . 1 1 44 44 ARG C C 44 175.196 175.196 173.732 1.464 25509 6773 1 10 . 1 1 44 44 ARG CA C 44 54.267 54.267 53.490 0.777 25509 6774 1 10 . 1 1 44 44 ARG H H 44 8.368 8.368 7.630 0.738 25509 6775 1 10 . 1 1 45 45 GLY N N 45 108.917 108.917 106.226 2.691 25509 6776 1 10 . 1 1 45 45 GLY C C 45 169.838 169.838 171.942 -2.104 25509 6777 1 10 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.479 0.362 25509 6778 1 10 . 1 1 45 45 GLY H H 45 7.714 7.714 7.302 0.412 25509 6779 1 10 . 1 1 46 46 GLN N N 46 113.774 113.774 117.129 -3.355 25509 6780 1 10 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.387 0.220 25509 6781 1 10 . 1 1 46 46 GLN C C 46 174.884 174.884 173.929 0.955 25509 6782 1 10 . 1 1 46 46 GLN CA C 46 53.906 53.906 54.858 -0.952 25509 6783 1 10 . 1 1 46 46 GLN H H 46 8.411 8.411 8.559 -0.148 25509 6784 1 10 . 1 1 47 47 VAL N N 47 120.282 120.282 119.059 1.223 25509 6785 1 10 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.349 0.026 25509 6786 1 10 . 1 1 47 47 VAL C C 47 172.005 172.005 174.348 -2.343 25509 6787 1 10 . 1 1 47 47 VAL CA C 47 59.977 59.977 61.878 -1.901 25509 6788 1 10 . 1 1 47 47 VAL H H 47 9.499 9.499 8.737 0.762 25509 6789 1 10 . 1 1 49 49 SER C C 49 173.486 173.486 174.530 -1.044 25509 6790 1 10 . 1 1 49 49 SER CA C 49 57.077 57.077 57.138 -0.061 25509 6791 1 10 . 1 1 50 50 GLU N N 50 123.998 123.998 121.814 2.184 25509 6792 1 10 . 1 1 50 50 GLU C C 50 175.276 175.276 175.476 -0.200 25509 6793 1 10 . 1 1 50 50 GLU CA C 50 54.505 54.505 55.803 -1.298 25509 6794 1 10 . 1 1 50 50 GLU H H 50 8.748 8.748 8.525 0.223 25509 6795 1 10 . 1 1 51 51 ASP N N 51 123.737 123.737 121.543 2.194 25509 6796 1 10 . 1 1 51 51 ASP C C 51 176.320 176.320 176.708 -0.388 25509 6797 1 10 . 1 1 51 51 ASP CA C 51 52.910 52.910 54.147 -1.237 25509 6798 1 10 . 1 1 51 51 ASP H H 51 8.479 8.479 8.348 0.131 25509 6799 1 10 . 1 1 52 52 LYS N N 52 114.578 114.578 120.210 -5.632 25509 6800 1 10 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.116 0.016 25509 6801 1 10 . 1 1 52 52 LYS C C 52 175.538 175.538 176.961 -1.423 25509 6802 1 10 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.938 -0.849 25509 6803 1 10 . 1 1 52 52 LYS H H 52 7.677 7.677 8.418 -0.741 25509 6804 1 10 . 1 1 53 53 TYR N N 53 124.836 124.836 117.605 7.231 25509 6805 1 10 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.632 0.138 25509 6806 1 10 . 1 1 53 53 TYR C C 53 175.498 175.498 175.818 -0.320 25509 6807 1 10 . 1 1 53 53 TYR CA C 53 53.507 53.507 57.579 -4.072 25509 6808 1 10 . 1 1 53 53 TYR H H 53 8.490 8.490 7.781 0.709 25509 6809 1 10 . 1 1 54 54 HIS N N 54 128.974 128.974 119.077 9.897 25509 6810 1 10 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.699 0.057 25509 6811 1 10 . 1 1 54 54 HIS C C 54 174.123 174.123 175.012 -0.889 25509 6812 1 10 . 1 1 54 54 HIS CA C 54 53.734 53.734 56.637 -2.903 25509 6813 1 10 . 1 1 54 54 HIS H H 54 8.622 8.622 8.679 -0.057 25509 6814 1 10 . 1 1 56 56 GLU C C 56 178.356 178.356 178.751 -0.395 25509 6815 1 10 . 1 1 56 56 GLU CA C 56 60.597 60.597 59.009 1.588 25509 6816 1 10 . 1 1 57 57 MET N N 57 113.971 113.971 118.126 -4.155 25509 6817 1 10 . 1 1 57 57 MET HA H 57 4.433 4.433 4.246 0.187 25509 6818 1 10 . 1 1 57 57 MET C C 57 180.454 180.454 177.942 2.512 25509 6819 1 10 . 1 1 57 57 MET CA C 57 55.453 55.453 58.100 -2.647 25509 6820 1 10 . 1 1 57 57 MET H H 57 6.807 6.807 7.893 -1.086 25509 6821 1 10 . 1 1 58 58 ARG N N 58 123.367 123.367 119.910 3.457 25509 6822 1 10 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.056 -0.292 25509 6823 1 10 . 1 1 58 58 ARG C C 58 179.588 179.588 178.027 1.561 25509 6824 1 10 . 1 1 58 58 ARG CA C 58 58.505 58.505 59.460 -0.955 25509 6825 1 10 . 1 1 58 58 ARG H H 58 7.658 7.658 7.703 -0.045 25509 6826 1 10 . 1 1 59 59 PHE N N 59 121.256 121.256 119.434 1.822 25509 6827 1 10 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.253 -0.695 25509 6828 1 10 . 1 1 59 59 PHE C C 59 175.915 175.915 175.864 0.051 25509 6829 1 10 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.727 1.628 25509 6830 1 10 . 1 1 59 59 PHE H H 59 8.925 8.925 7.549 1.376 25509 6831 1 10 . 1 1 60 60 LEU N N 60 118.280 118.280 118.828 -0.548 25509 6832 1 10 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.323 0.149 25509 6833 1 10 . 1 1 60 60 LEU C C 60 179.572 179.572 178.482 1.090 25509 6834 1 10 . 1 1 60 60 LEU CA C 60 57.365 57.365 56.910 0.455 25509 6835 1 10 . 1 1 60 60 LEU H H 60 7.587 7.587 7.175 0.412 25509 6836 1 10 . 1 1 61 61 SER N N 61 115.099 115.099 115.637 -0.538 25509 6837 1 10 . 1 1 61 61 SER HA H 61 4.053 4.053 4.064 -0.011 25509 6838 1 10 . 1 1 61 61 SER C C 61 176.822 176.822 176.523 0.299 25509 6839 1 10 . 1 1 61 61 SER CA C 61 60.923 60.923 61.760 -0.837 25509 6840 1 10 . 1 1 61 61 SER H H 61 7.479 7.479 8.432 -0.953 25509 6841 1 10 . 1 1 62 62 LEU N N 62 123.881 123.881 118.344 5.537 25509 6842 1 10 . 1 1 62 62 LEU HA H 62 3.394 3.394 4.016 -0.622 25509 6843 1 10 . 1 1 62 62 LEU C C 62 177.319 177.319 177.687 -0.368 25509 6844 1 10 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.204 -0.327 25509 6845 1 10 . 1 1 62 62 LEU H H 62 7.302 7.302 7.261 0.041 25509 6846 1 10 . 1 1 63 63 VAL N N 63 115.745 115.745 117.867 -2.122 25509 6847 1 10 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.132 -0.453 25509 6848 1 10 . 1 1 63 63 VAL C C 63 178.913 178.913 177.877 1.036 25509 6849 1 10 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.721 -1.154 25509 6850 1 10 . 1 1 63 63 VAL H H 63 7.039 7.039 7.268 -0.229 25509 6851 1 10 . 1 1 64 64 SER N N 64 114.324 114.324 113.911 0.413 25509 6852 1 10 . 1 1 64 64 SER C C 64 176.376 176.376 176.346 0.030 25509 6853 1 10 . 1 1 64 64 SER CA C 64 60.925 60.925 60.930 -0.005 25509 6854 1 10 . 1 1 64 64 SER H H 64 7.205 7.205 7.457 -0.252 25509 6855 1 10 . 1 1 65 65 LYS N N 65 121.823 121.823 120.064 1.759 25509 6856 1 10 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.217 -0.142 25509 6857 1 10 . 1 1 65 65 LYS C C 65 178.346 178.346 177.722 0.624 25509 6858 1 10 . 1 1 65 65 LYS CA C 65 57.294 57.294 57.451 -0.157 25509 6859 1 10 . 1 1 65 65 LYS H H 65 7.294 7.294 7.778 -0.484 25509 6860 1 10 . 1 1 66 66 TRP N N 66 120.291 120.291 120.510 -0.219 25509 6861 1 10 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.507 -0.033 25509 6862 1 10 . 1 1 66 66 TRP CA C 66 56.009 56.009 58.146 -2.137 25509 6863 1 10 . 1 1 66 66 TRP H H 66 7.834 7.834 7.596 0.238 25509 6864 1 10 . 1 1 69 69 HIS C C 69 176.475 176.475 175.188 1.287 25509 6865 1 10 . 1 1 69 69 HIS CA C 69 56.029 56.029 55.089 0.940 25509 6866 1 10 . 1 1 70 70 ARG N N 70 121.733 121.733 122.330 -0.597 25509 6867 1 10 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.294 -0.797 25509 6868 1 10 . 1 1 70 70 ARG C C 70 175.806 175.806 176.074 -0.268 25509 6869 1 10 . 1 1 70 70 ARG CA C 70 57.342 57.342 57.456 -0.114 25509 6870 1 10 . 1 1 70 70 ARG H H 70 8.527 8.527 8.397 0.130 25509 6871 1 10 . 1 1 71 71 ASP N N 71 116.800 116.800 118.737 -1.937 25509 6872 1 10 . 1 1 71 71 ASP C C 71 175.213 175.213 176.455 -1.242 25509 6873 1 10 . 1 1 71 71 ASP CA C 71 53.027 53.027 54.601 -1.574 25509 6874 1 10 . 1 1 71 71 ASP H H 71 8.599 8.599 8.231 0.368 25509 6875 1 10 . 1 1 72 72 GLN N N 72 119.761 119.761 116.922 2.839 25509 6876 1 10 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.002 0.520 25509 6877 1 10 . 1 1 72 72 GLN C C 72 172.972 172.972 174.503 -1.531 25509 6878 1 10 . 1 1 72 72 GLN CA C 72 53.807 53.807 58.812 -5.005 25509 6879 1 10 . 1 1 72 72 GLN H H 72 7.629 7.629 8.027 -0.398 25509 6880 1 10 . 1 1 73 73 GLU N N 73 117.994 117.994 118.874 -0.880 25509 6881 1 10 . 1 1 73 73 GLU C C 73 176.011 176.011 174.966 1.045 25509 6882 1 10 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.175 -0.279 25509 6883 1 10 . 1 1 73 73 GLU H H 73 7.984 7.984 8.302 -0.318 25509 6884 1 10 . 1 1 74 74 TYR N N 74 120.098 120.098 125.315 -5.217 25509 6885 1 10 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.861 0.262 25509 6886 1 10 . 1 1 74 74 TYR C C 74 174.675 174.675 173.725 0.950 25509 6887 1 10 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.375 -0.633 25509 6888 1 10 . 1 1 74 74 TYR H H 74 8.860 8.860 8.669 0.191 25509 6889 1 10 . 1 1 75 75 GLU N N 75 123.539 123.539 123.891 -0.352 25509 6890 1 10 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.236 -0.343 25509 6891 1 10 . 1 1 75 75 GLU C C 75 175.614 175.614 174.508 1.106 25509 6892 1 10 . 1 1 75 75 GLU CA C 75 54.571 54.571 53.964 0.607 25509 6893 1 10 . 1 1 75 75 GLU H H 75 9.321 9.321 8.178 1.143 25509 6894 1 10 . 1 1 76 76 VAL N N 76 128.647 128.647 125.792 2.855 25509 6895 1 10 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.319 -0.133 25509 6896 1 10 . 1 1 76 76 VAL C C 76 175.004 175.004 175.298 -0.294 25509 6897 1 10 . 1 1 76 76 VAL CA C 76 60.376 60.376 59.834 0.542 25509 6898 1 10 . 1 1 76 76 VAL H H 76 9.399 9.399 8.968 0.431 25509 6899 1 10 . 1 1 77 77 THR N N 77 126.297 126.297 121.588 4.709 25509 6900 1 10 . 1 1 77 77 THR HA H 77 5.223 5.223 4.780 0.443 25509 6901 1 10 . 1 1 77 77 THR C C 77 173.353 173.353 173.078 0.275 25509 6902 1 10 . 1 1 77 77 THR CA C 77 61.442 61.442 61.822 -0.380 25509 6903 1 10 . 1 1 77 77 THR H H 77 9.597 9.597 8.629 0.968 25509 6904 1 10 . 1 1 78 78 TRP N N 78 125.914 125.914 127.486 -1.572 25509 6905 1 10 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.821 0.849 25509 6906 1 10 . 1 1 78 78 TRP C C 78 174.723 174.723 174.211 0.512 25509 6907 1 10 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.403 -7.198 25509 6908 1 10 . 1 1 78 78 TRP H H 78 9.173 9.173 9.174 -0.001 25509 6909 1 10 . 1 1 79 79 TYR N N 79 120.962 120.962 124.629 -3.667 25509 6910 1 10 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.670 0.647 25509 6911 1 10 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.503 -1.804 25509 6912 1 10 . 1 1 79 79 TYR H H 79 9.322 9.322 9.040 0.282 25509 6913 1 10 . 1 1 80 80 ILE N N 80 125.201 125.201 122.900 2.301 25509 6914 1 10 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.103 1.826 25509 6915 1 10 . 1 1 80 80 ILE CA C 80 43.836 43.836 59.948 -16.112 25509 6916 1 10 . 1 1 80 80 ILE H H 80 9.634 9.634 8.187 1.447 25509 6917 1 10 . 1 1 86 86 THR HA H 86 3.629 3.629 3.803 -0.174 25509 6918 1 10 . 1 1 86 86 THR C C 86 175.273 175.273 175.724 -0.451 25509 6919 1 10 . 1 1 86 86 THR CA C 86 60.845 60.845 66.876 -6.031 25509 6920 1 10 . 1 1 87 87 LYS N N 87 121.904 121.904 121.054 0.850 25509 6921 1 10 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.251 -0.308 25509 6922 1 10 . 1 1 87 87 LYS C C 87 178.969 178.969 178.420 0.549 25509 6923 1 10 . 1 1 87 87 LYS CA C 87 59.326 59.326 58.636 0.690 25509 6924 1 10 . 1 1 87 87 LYS H H 87 7.728 7.728 8.405 -0.677 25509 6925 1 10 . 1 1 88 88 CYS N N 88 121.877 121.877 118.940 2.937 25509 6926 1 10 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.330 -0.396 25509 6927 1 10 . 1 1 88 88 CYS C C 88 178.168 178.168 176.498 1.670 25509 6928 1 10 . 1 1 88 88 CYS CA C 88 65.201 65.201 61.975 3.226 25509 6929 1 10 . 1 1 88 88 CYS H H 88 8.717 8.717 8.075 0.642 25509 6930 1 10 . 1 1 89 89 ALA N N 89 120.872 120.872 123.206 -2.334 25509 6931 1 10 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.050 -0.161 25509 6932 1 10 . 1 1 89 89 ALA C C 89 179.782 179.782 179.285 0.497 25509 6933 1 10 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.336 -0.036 25509 6934 1 10 . 1 1 89 89 ALA H H 89 9.009 9.009 7.973 1.036 25509 6935 1 10 . 1 1 90 90 ARG N N 90 117.797 117.797 117.196 0.601 25509 6936 1 10 . 1 1 90 90 ARG HA H 90 3.985 3.985 3.958 0.027 25509 6937 1 10 . 1 1 90 90 ARG C C 90 179.333 179.333 178.329 1.004 25509 6938 1 10 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.197 0.156 25509 6939 1 10 . 1 1 90 90 ARG H H 90 7.912 7.912 7.479 0.433 25509 6940 1 10 . 1 1 91 91 ASP N N 91 121.892 121.892 119.446 2.446 25509 6941 1 10 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.436 0.039 25509 6942 1 10 . 1 1 91 91 ASP C C 91 180.593 180.593 178.244 2.349 25509 6943 1 10 . 1 1 91 91 ASP CA C 91 57.329 57.329 56.999 0.330 25509 6944 1 10 . 1 1 91 91 ASP H H 91 8.413 8.413 8.391 0.022 25509 6945 1 10 . 1 1 92 92 MET N N 92 121.165 121.165 118.714 2.451 25509 6946 1 10 . 1 1 92 92 MET HA H 92 4.453 4.453 4.206 0.247 25509 6947 1 10 . 1 1 92 92 MET C C 92 177.594 177.594 177.999 -0.405 25509 6948 1 10 . 1 1 92 92 MET CA C 92 56.255 56.255 59.243 -2.988 25509 6949 1 10 . 1 1 92 92 MET H H 92 8.986 8.986 7.908 1.078 25509 6950 1 10 . 1 1 93 93 ALA N N 93 124.315 124.315 120.354 3.961 25509 6951 1 10 . 1 1 93 93 ALA HA H 93 3.818 3.818 4.009 -0.191 25509 6952 1 10 . 1 1 93 93 ALA C C 93 179.351 179.351 179.504 -0.153 25509 6953 1 10 . 1 1 93 93 ALA CA C 93 55.459 55.459 54.916 0.543 25509 6954 1 10 . 1 1 93 93 ALA H H 93 8.090 8.090 7.780 0.310 25509 6955 1 10 . 1 1 94 94 THR N N 94 115.375 115.375 116.258 -0.883 25509 6956 1 10 . 1 1 94 94 THR HA H 94 3.854 3.854 3.981 -0.127 25509 6957 1 10 . 1 1 94 94 THR C C 94 175.971 175.971 176.286 -0.315 25509 6958 1 10 . 1 1 94 94 THR CA C 94 66.140 66.140 66.943 -0.803 25509 6959 1 10 . 1 1 94 94 THR H H 94 7.908 7.908 7.774 0.134 25509 6960 1 10 . 1 1 95 95 PHE N N 95 121.559 121.559 122.869 -1.310 25509 6961 1 10 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.365 -0.176 25509 6962 1 10 . 1 1 95 95 PHE C C 95 178.456 178.456 176.390 2.066 25509 6963 1 10 . 1 1 95 95 PHE CA C 95 61.307 61.307 61.266 0.041 25509 6964 1 10 . 1 1 95 95 PHE H H 95 7.845 7.845 7.916 -0.071 25509 6965 1 10 . 1 1 96 96 LEU N N 96 120.614 120.614 119.931 0.683 25509 6966 1 10 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.648 0.103 25509 6967 1 10 . 1 1 96 96 LEU C C 96 179.846 179.846 179.000 0.846 25509 6968 1 10 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.689 -0.568 25509 6969 1 10 . 1 1 96 96 LEU H H 96 8.493 8.493 8.083 0.410 25509 6970 1 10 . 1 1 97 97 GLN N N 97 118.135 118.135 117.640 0.495 25509 6971 1 10 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.072 0.000 25509 6972 1 10 . 1 1 97 97 GLN C C 97 177.940 177.940 177.790 0.150 25509 6973 1 10 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.367 -0.378 25509 6974 1 10 . 1 1 97 97 GLN H H 97 7.971 7.971 8.167 -0.196 25509 6975 1 10 . 1 1 98 98 GLU N N 98 115.676 115.676 117.180 -1.504 25509 6976 1 10 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.174 0.048 25509 6977 1 10 . 1 1 98 98 GLU C C 98 176.364 176.364 177.686 -1.322 25509 6978 1 10 . 1 1 98 98 GLU CA C 98 56.465 56.465 56.959 -0.494 25509 6979 1 10 . 1 1 98 98 GLU H H 98 7.473 7.473 7.721 -0.248 25509 6980 1 10 . 1 1 99 99 ASN N N 99 121.312 121.312 117.873 3.439 25509 6981 1 10 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.458 0.528 25509 6982 1 10 . 1 1 99 99 ASN C C 99 174.155 174.155 175.388 -1.233 25509 6983 1 10 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.187 -2.228 25509 6984 1 10 . 1 1 99 99 ASN H H 99 7.520 7.520 7.631 -0.111 25509 6985 1 10 . 1 1 100 100 THR N N 100 111.032 111.032 113.042 -2.010 25509 6986 1 10 . 1 1 100 100 THR HA H 100 4.438 4.438 3.968 0.470 25509 6987 1 10 . 1 1 100 100 THR C C 100 174.600 174.600 173.655 0.945 25509 6988 1 10 . 1 1 100 100 THR CA C 100 63.613 63.613 63.879 -0.266 25509 6989 1 10 . 1 1 100 100 THR H H 100 7.985 7.985 7.579 0.406 25509 6990 1 10 . 1 1 101 101 HIS C C 101 173.419 173.419 172.641 0.778 25509 6991 1 10 . 1 1 101 101 HIS CA C 101 56.546 56.546 56.475 0.071 25509 6992 1 10 . 1 1 102 102 VAL N N 102 123.373 123.373 119.741 3.632 25509 6993 1 10 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.232 -0.589 25509 6994 1 10 . 1 1 102 102 VAL C C 102 174.248 174.248 175.322 -1.074 25509 6995 1 10 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.435 1.580 25509 6996 1 10 . 1 1 102 102 VAL H H 102 7.561 7.561 7.627 -0.066 25509 6997 1 10 . 1 1 103 103 THR N N 103 119.261 119.261 119.691 -0.430 25509 6998 1 10 . 1 1 103 103 THR HA H 103 4.702 4.702 4.809 -0.107 25509 6999 1 10 . 1 1 103 103 THR C C 103 173.198 173.198 173.822 -0.624 25509 7000 1 10 . 1 1 103 103 THR CA C 103 59.956 59.956 60.240 -0.284 25509 7001 1 10 . 1 1 103 103 THR H H 103 8.370 8.370 8.874 -0.504 25509 7002 1 10 . 1 1 104 104 LEU N N 104 128.085 128.085 124.164 3.921 25509 7003 1 10 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.912 0.211 25509 7004 1 10 . 1 1 104 104 LEU C C 104 175.009 175.009 175.820 -0.811 25509 7005 1 10 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.782 -0.551 25509 7006 1 10 . 1 1 104 104 LEU H H 104 9.373 9.373 8.294 1.079 25509 7007 1 10 . 1 1 105 105 THR N N 105 126.064 126.064 119.702 6.362 25509 7008 1 10 . 1 1 105 105 THR HA H 105 4.560 4.560 4.839 -0.279 25509 7009 1 10 . 1 1 105 105 THR C C 105 171.873 171.873 174.570 -2.697 25509 7010 1 10 . 1 1 105 105 THR CA C 105 61.546 61.546 61.210 0.336 25509 7011 1 10 . 1 1 105 105 THR H H 105 8.561 8.561 9.006 -0.445 25509 7012 1 10 . 1 1 106 106 ILE N N 106 125.679 125.679 124.547 1.132 25509 7013 1 10 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.935 -0.728 25509 7014 1 10 . 1 1 106 106 ILE C C 106 172.536 172.536 174.871 -2.335 25509 7015 1 10 . 1 1 106 106 ILE CA C 106 59.887 59.887 61.844 -1.957 25509 7016 1 10 . 1 1 106 106 ILE H H 106 9.190 9.190 8.286 0.904 25509 7017 1 10 . 1 1 107 107 PHE N N 107 126.337 126.337 122.280 4.057 25509 7018 1 10 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.442 -0.186 25509 7019 1 10 . 1 1 107 107 PHE C C 107 175.694 175.694 175.019 0.675 25509 7020 1 10 . 1 1 107 107 PHE CA C 107 56.342 56.342 56.476 -0.134 25509 7021 1 10 . 1 1 107 107 PHE H H 107 9.135 9.135 9.033 0.102 25509 7022 1 10 . 1 1 108 108 VAL N N 108 118.789 118.789 121.256 -2.467 25509 7023 1 10 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.381 0.639 25509 7024 1 10 . 1 1 108 108 VAL C C 108 176.539 176.539 174.872 1.667 25509 7025 1 10 . 1 1 108 108 VAL CA C 108 58.498 58.498 60.803 -2.304 25509 7026 1 10 . 1 1 108 108 VAL H H 108 8.936 8.936 8.197 0.739 25509 7027 1 10 . 1 1 109 109 ALA N N 109 129.108 129.108 131.291 -2.183 25509 7028 1 10 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.910 -0.386 25509 7029 1 10 . 1 1 109 109 ALA C C 109 175.933 175.933 177.631 -1.698 25509 7030 1 10 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.597 2.441 25509 7031 1 10 . 1 1 109 109 ALA H H 109 8.509 8.509 8.732 -0.223 25509 7032 1 10 . 1 1 110 110 ARG N N 110 110.165 110.165 119.740 -9.575 25509 7033 1 10 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.682 -0.177 25509 7034 1 10 . 1 1 110 110 ARG C C 110 175.120 175.120 174.428 0.692 25509 7035 1 10 . 1 1 110 110 ARG CA C 110 54.555 54.555 55.248 -0.693 25509 7036 1 10 . 1 1 110 110 ARG H H 110 6.677 6.677 8.372 -1.695 25509 7037 1 10 . 1 1 111 111 LEU N N 111 119.767 119.767 125.649 -5.882 25509 7038 1 10 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.658 -0.143 25509 7039 1 10 . 1 1 111 111 LEU CA C 111 53.198 53.198 54.870 -1.672 25509 7040 1 10 . 1 1 111 111 LEU H H 111 7.031 7.031 8.767 -1.736 25509 7041 1 10 . 1 1 117 117 PRO C C 117 178.666 178.666 175.905 2.761 25509 7042 1 10 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.093 1.903 25509 7043 1 10 . 1 1 118 118 ASP N N 118 118.659 118.659 122.106 -3.447 25509 7044 1 10 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.921 -0.487 25509 7045 1 10 . 1 1 118 118 ASP C C 118 178.263 178.263 176.531 1.732 25509 7046 1 10 . 1 1 118 118 ASP CA C 118 56.740 56.740 55.115 1.625 25509 7047 1 10 . 1 1 118 118 ASP H H 118 8.215 8.215 8.318 -0.103 25509 7048 1 10 . 1 1 119 119 TYR N N 119 122.818 122.818 121.614 1.204 25509 7049 1 10 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.138 0.066 25509 7050 1 10 . 1 1 119 119 TYR C C 119 177.538 177.538 177.329 0.209 25509 7051 1 10 . 1 1 119 119 TYR CA C 119 60.942 60.942 61.852 -0.910 25509 7052 1 10 . 1 1 119 119 TYR H H 119 7.994 7.994 8.400 -0.406 25509 7053 1 10 . 1 1 120 120 GLN N N 120 117.143 117.143 118.352 -1.209 25509 7054 1 10 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.991 -0.483 25509 7055 1 10 . 1 1 120 120 GLN C C 120 177.702 177.702 178.140 -0.438 25509 7056 1 10 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.612 -0.626 25509 7057 1 10 . 1 1 120 120 GLN H H 120 7.898 7.898 8.844 -0.946 25509 7058 1 10 . 1 1 121 121 GLU N N 121 117.707 117.707 118.213 -0.506 25509 7059 1 10 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.049 -0.158 25509 7060 1 10 . 1 1 121 121 GLU C C 121 178.815 178.815 178.519 0.296 25509 7061 1 10 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.929 -0.326 25509 7062 1 10 . 1 1 121 121 GLU H H 121 7.829 7.829 8.209 -0.380 25509 7063 1 10 . 1 1 122 122 ALA N N 122 123.710 123.710 122.809 0.901 25509 7064 1 10 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.088 -0.188 25509 7065 1 10 . 1 1 122 122 ALA C C 122 180.296 180.296 179.567 0.729 25509 7066 1 10 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.501 0.448 25509 7067 1 10 . 1 1 122 122 ALA H H 122 7.881 7.881 7.365 0.516 25509 7068 1 10 . 1 1 123 123 LEU N N 123 119.307 119.307 119.052 0.255 25509 7069 1 10 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.931 -0.140 25509 7070 1 10 . 1 1 123 123 LEU C C 123 179.075 179.075 178.699 0.376 25509 7071 1 10 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.592 -0.055 25509 7072 1 10 . 1 1 123 123 LEU H H 123 8.073 8.073 8.223 -0.150 25509 7073 1 10 . 1 1 124 124 ARG N N 124 118.146 118.146 119.578 -1.432 25509 7074 1 10 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.845 -0.013 25509 7075 1 10 . 1 1 124 124 ARG C C 124 179.745 179.745 177.819 1.926 25509 7076 1 10 . 1 1 124 124 ARG CA C 124 60.155 60.155 60.132 0.023 25509 7077 1 10 . 1 1 124 124 ARG H H 124 8.074 8.074 7.912 0.162 25509 7078 1 10 . 1 1 125 125 SER N N 125 117.399 117.399 115.857 1.542 25509 7079 1 10 . 1 1 125 125 SER HA H 125 4.151 4.151 4.309 -0.158 25509 7080 1 10 . 1 1 125 125 SER C C 125 176.389 176.389 176.762 -0.373 25509 7081 1 10 . 1 1 125 125 SER CA C 125 54.752 54.752 61.934 -7.182 25509 7082 1 10 . 1 1 125 125 SER H H 125 8.471 8.471 7.406 1.065 25509 7083 1 10 . 1 1 126 126 LEU N N 126 125.924 125.924 122.241 3.683 25509 7084 1 10 . 1 1 126 126 LEU HA H 126 3.970 3.970 3.970 0.000 25509 7085 1 10 . 1 1 126 126 LEU C C 126 177.721 177.721 178.505 -0.784 25509 7086 1 10 . 1 1 126 126 LEU CA C 126 57.423 57.423 58.276 -0.853 25509 7087 1 10 . 1 1 126 126 LEU H H 126 7.621 7.621 7.528 0.093 25509 7088 1 10 . 1 1 127 127 ALA N N 127 122.932 122.932 120.440 2.492 25509 7089 1 10 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.329 0.347 25509 7090 1 10 . 1 1 127 127 ALA C C 127 182.614 182.614 179.147 3.467 25509 7091 1 10 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.336 -0.362 25509 7092 1 10 . 1 1 127 127 ALA H H 127 7.973 7.973 7.772 0.201 25509 7093 1 10 . 1 1 128 128 GLN N N 128 120.408 120.408 117.531 2.877 25509 7094 1 10 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.093 -0.064 25509 7095 1 10 . 1 1 128 128 GLN C C 128 177.613 177.613 176.808 0.805 25509 7096 1 10 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.162 -0.111 25509 7097 1 10 . 1 1 128 128 GLN H H 128 8.690 8.690 7.977 0.713 25509 7098 1 10 . 1 1 129 129 ALA N N 129 120.391 120.391 121.213 -0.822 25509 7099 1 10 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.207 0.076 25509 7100 1 10 . 1 1 129 129 ALA C C 129 177.019 177.019 177.284 -0.265 25509 7101 1 10 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.797 -0.626 25509 7102 1 10 . 1 1 129 129 ALA H H 129 7.542 7.542 7.481 0.061 25509 7103 1 10 . 1 1 130 130 GLY N N 130 104.533 104.533 103.692 0.841 25509 7104 1 10 . 1 1 130 130 GLY C C 130 175.291 175.291 172.441 2.850 25509 7105 1 10 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.698 -0.423 25509 7106 1 10 . 1 1 130 130 GLY H H 130 7.760 7.760 7.579 0.181 25509 7107 1 10 . 1 1 131 131 ALA N N 131 124.759 124.759 122.176 2.583 25509 7108 1 10 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.542 -0.955 25509 7109 1 10 . 1 1 131 131 ALA C C 131 177.045 177.045 175.872 1.173 25509 7110 1 10 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.131 1.483 25509 7111 1 10 . 1 1 131 131 ALA H H 131 7.543 7.543 7.624 -0.081 25509 7112 1 10 . 1 1 132 132 THR N N 132 120.565 120.565 116.508 4.057 25509 7113 1 10 . 1 1 132 132 THR HA H 132 4.293 4.293 4.553 -0.260 25509 7114 1 10 . 1 1 132 132 THR C C 132 172.940 172.940 172.601 0.339 25509 7115 1 10 . 1 1 132 132 THR CA C 132 62.285 62.285 62.105 0.180 25509 7116 1 10 . 1 1 132 132 THR H H 132 7.983 7.983 8.736 -0.753 25509 7117 1 10 . 1 1 133 133 ILE N N 133 128.874 128.874 127.182 1.692 25509 7118 1 10 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.477 0.228 25509 7119 1 10 . 1 1 133 133 ILE C C 133 173.707 173.707 174.787 -1.080 25509 7120 1 10 . 1 1 133 133 ILE CA C 133 59.898 59.898 59.991 -0.093 25509 7121 1 10 . 1 1 133 133 ILE H H 133 8.641 8.641 8.506 0.135 25509 7122 1 10 . 1 1 134 134 LYS N N 134 125.904 125.904 125.738 0.166 25509 7123 1 10 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.547 -0.057 25509 7124 1 10 . 1 1 134 134 LYS C C 134 174.736 174.736 174.790 -0.054 25509 7125 1 10 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.489 0.417 25509 7126 1 10 . 1 1 134 134 LYS H H 134 8.878 8.878 7.798 1.080 25509 7127 1 10 . 1 1 135 135 ILE N N 135 121.444 121.444 122.548 -1.104 25509 7128 1 10 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.340 0.304 25509 7129 1 10 . 1 1 135 135 ILE C C 135 177.563 177.563 177.861 -0.298 25509 7130 1 10 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.999 -4.165 25509 7131 1 10 . 1 1 135 135 ILE H H 135 8.601 8.601 8.838 -0.237 25509 7132 1 10 . 1 1 136 136 MET N N 136 124.557 124.557 124.218 0.339 25509 7133 1 10 . 1 1 136 136 MET HA H 136 3.741 3.741 4.575 -0.834 25509 7134 1 10 . 1 1 136 136 MET C C 136 174.070 174.070 174.779 -0.709 25509 7135 1 10 . 1 1 136 136 MET CA C 136 58.298 58.298 57.090 1.208 25509 7136 1 10 . 1 1 136 136 MET H H 136 8.550 8.550 8.200 0.350 25509 7137 1 10 . 1 1 137 137 ASN N N 137 126.678 126.678 122.849 3.829 25509 7138 1 10 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.153 -0.145 25509 7139 1 10 . 1 1 137 137 ASN C C 137 174.733 174.733 176.497 -1.764 25509 7140 1 10 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.113 -1.219 25509 7141 1 10 . 1 1 137 137 ASN H H 137 9.480 9.480 8.168 1.312 25509 7142 1 10 . 1 1 138 138 TYR N N 138 123.587 123.587 122.960 0.627 25509 7143 1 10 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.508 -0.667 25509 7144 1 10 . 1 1 138 138 TYR C C 138 176.154 176.154 176.915 -0.761 25509 7145 1 10 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.771 1.040 25509 7146 1 10 . 1 1 138 138 TYR H H 138 9.914 9.914 9.237 0.677 25509 7147 1 10 . 1 1 139 139 ASP N N 139 116.024 116.024 116.898 -0.874 25509 7148 1 10 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.309 -0.193 25509 7149 1 10 . 1 1 139 139 ASP C C 139 179.067 179.067 177.563 1.504 25509 7150 1 10 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.298 0.193 25509 7151 1 10 . 1 1 139 139 ASP H H 139 8.976 8.976 8.684 0.292 25509 7152 1 10 . 1 1 140 140 GLU N N 140 118.087 118.087 120.290 -2.203 25509 7153 1 10 . 1 1 140 140 GLU HA H 140 3.826 3.826 4.003 -0.177 25509 7154 1 10 . 1 1 140 140 GLU C C 140 178.692 178.692 177.988 0.704 25509 7155 1 10 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.426 2.174 25509 7156 1 10 . 1 1 140 140 GLU H H 140 7.540 7.540 8.120 -0.580 25509 7157 1 10 . 1 1 141 141 PHE N N 141 119.608 119.608 120.443 -0.835 25509 7158 1 10 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.262 -0.474 25509 7159 1 10 . 1 1 141 141 PHE C C 141 176.881 176.881 178.140 -1.259 25509 7160 1 10 . 1 1 141 141 PHE CA C 141 62.703 62.703 62.010 0.693 25509 7161 1 10 . 1 1 141 141 PHE H H 141 8.032 8.032 7.671 0.361 25509 7162 1 10 . 1 1 142 142 GLN N N 142 118.759 118.759 118.806 -0.047 25509 7163 1 10 . 1 1 142 142 GLN HA H 142 4.021 4.021 3.943 0.078 25509 7164 1 10 . 1 1 142 142 GLN C C 142 177.945 177.945 178.037 -0.092 25509 7165 1 10 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.181 -0.403 25509 7166 1 10 . 1 1 142 142 GLN H H 142 8.223 8.223 8.508 -0.285 25509 7167 1 10 . 1 1 143 143 HIS N N 143 120.774 120.774 120.343 0.431 25509 7168 1 10 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.402 -0.424 25509 7169 1 10 . 1 1 143 143 HIS C C 143 177.147 177.147 177.554 -0.407 25509 7170 1 10 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.773 -0.406 25509 7171 1 10 . 1 1 143 143 HIS H H 143 7.924 7.924 7.715 0.209 25509 7172 1 10 . 1 1 144 144 CYS N N 144 117.600 117.600 119.071 -1.471 25509 7173 1 10 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.111 -0.273 25509 7174 1 10 . 1 1 144 144 CYS C C 144 176.233 176.233 176.503 -0.270 25509 7175 1 10 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.881 -1.029 25509 7176 1 10 . 1 1 144 144 CYS H H 144 7.892 7.892 8.325 -0.433 25509 7177 1 10 . 1 1 145 145 TRP N N 145 120.806 120.806 121.560 -0.754 25509 7178 1 10 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.931 -0.662 25509 7179 1 10 . 1 1 145 145 TRP C C 145 177.085 177.085 177.417 -0.332 25509 7180 1 10 . 1 1 145 145 TRP CA C 145 59.453 59.453 61.049 -1.596 25509 7181 1 10 . 1 1 145 145 TRP H H 145 8.201 8.201 8.884 -0.683 25509 7182 1 10 . 1 1 146 146 SER N N 146 111.555 111.555 112.361 -0.806 25509 7183 1 10 . 1 1 146 146 SER C C 146 176.199 176.199 175.511 0.688 25509 7184 1 10 . 1 1 146 146 SER CA C 146 60.827 60.827 60.737 0.090 25509 7185 1 10 . 1 1 146 146 SER H H 146 8.032 8.032 7.677 0.355 25509 7186 1 10 . 1 1 147 147 LYS N N 147 115.563 115.563 120.025 -4.462 25509 7187 1 10 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.109 -0.135 25509 7188 1 10 . 1 1 147 147 LYS C C 147 177.448 177.448 178.145 -0.697 25509 7189 1 10 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.560 -2.096 25509 7190 1 10 . 1 1 147 147 LYS H H 147 7.684 7.684 7.476 0.208 25509 7191 1 10 . 1 1 148 148 PHE N N 148 113.648 113.648 117.714 -4.066 25509 7192 1 10 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.179 0.298 25509 7193 1 10 . 1 1 148 148 PHE C C 148 174.293 174.293 176.406 -2.113 25509 7194 1 10 . 1 1 148 148 PHE CA C 148 58.180 58.180 60.636 -2.456 25509 7195 1 10 . 1 1 148 148 PHE H H 148 8.134 8.134 8.210 -0.076 25509 7196 1 10 . 1 1 149 149 VAL N N 149 119.139 119.139 114.399 4.740 25509 7197 1 10 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.747 0.362 25509 7198 1 10 . 1 1 149 149 VAL C C 149 175.690 175.690 175.048 0.642 25509 7199 1 10 . 1 1 149 149 VAL CA C 149 60.309 60.309 61.837 -1.528 25509 7200 1 10 . 1 1 149 149 VAL H H 149 6.787 6.787 7.000 -0.213 25509 7201 1 10 . 1 1 150 150 TYR N N 150 129.042 129.042 122.070 6.972 25509 7202 1 10 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.376 0.188 25509 7203 1 10 . 1 1 150 150 TYR C C 150 173.826 173.826 177.112 -3.286 25509 7204 1 10 . 1 1 150 150 TYR CA C 150 55.580 55.580 60.245 -4.665 25509 7205 1 10 . 1 1 150 150 TYR H H 150 8.552 8.552 8.123 0.429 25509 7206 1 10 . 1 1 151 151 SER N N 151 119.931 119.931 114.060 5.871 25509 7207 1 10 . 1 1 151 151 SER HA H 151 4.585 4.585 4.107 0.478 25509 7208 1 10 . 1 1 151 151 SER C C 151 176.209 176.209 174.260 1.949 25509 7209 1 10 . 1 1 151 151 SER CA C 151 57.497 57.497 59.130 -1.633 25509 7210 1 10 . 1 1 151 151 SER H H 151 7.787 7.787 8.538 -0.751 25509 7211 1 10 . 1 1 152 152 GLN N N 152 120.381 120.381 115.637 4.744 25509 7212 1 10 . 1 1 152 152 GLN HA H 152 3.715 3.715 3.965 -0.250 25509 7213 1 10 . 1 1 152 152 GLN C C 152 175.787 175.787 175.463 0.324 25509 7214 1 10 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.741 -0.265 25509 7215 1 10 . 1 1 152 152 GLN H H 152 8.386 8.386 8.632 -0.246 25509 7216 1 10 . 1 1 153 153 GLY N N 153 106.086 106.086 105.607 0.479 25509 7217 1 10 . 1 1 153 153 GLY C C 153 174.309 174.309 173.773 0.536 25509 7218 1 10 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.274 -0.372 25509 7219 1 10 . 1 1 153 153 GLY H H 153 8.047 8.047 8.302 -0.255 25509 7220 1 10 . 1 1 154 154 ALA N N 154 125.790 125.790 122.826 2.964 25509 7221 1 10 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.641 -0.059 25509 7222 1 10 . 1 1 154 154 ALA C C 154 176.022 176.022 175.385 0.637 25509 7223 1 10 . 1 1 154 154 ALA CA C 154 49.894 49.894 49.534 0.360 25509 7224 1 10 . 1 1 154 154 ALA H H 154 7.562 7.562 7.699 -0.137 25509 7225 1 10 . 1 1 155 155 PRO C C 155 175.578 175.578 175.442 0.136 25509 7226 1 10 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.481 -0.820 25509 7227 1 10 . 1 1 156 156 PHE N N 156 121.116 121.116 124.119 -3.003 25509 7228 1 10 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.059 -1.713 25509 7229 1 10 . 1 1 156 156 PHE C C 156 174.254 174.254 174.572 -0.318 25509 7230 1 10 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.196 -0.782 25509 7231 1 10 . 1 1 156 156 PHE H H 156 8.288 8.288 7.507 0.781 25509 7232 1 10 . 1 1 157 157 GLN N N 157 129.600 129.600 124.108 5.492 25509 7233 1 10 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.470 -0.164 25509 7234 1 10 . 1 1 157 157 GLN C C 157 171.628 171.628 173.826 -2.198 25509 7235 1 10 . 1 1 157 157 GLN CA C 157 50.515 50.515 53.318 -2.803 25509 7236 1 10 . 1 1 157 157 GLN H H 157 7.205 7.205 8.211 -1.006 25509 7237 1 10 . 1 1 158 158 PRO C C 158 175.224 175.224 175.388 -0.164 25509 7238 1 10 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.762 -1.039 25509 7239 1 10 . 1 1 159 159 TRP N N 159 117.795 117.795 121.480 -3.685 25509 7240 1 10 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.869 -0.171 25509 7241 1 10 . 1 1 159 159 TRP C C 159 175.906 175.906 176.217 -0.311 25509 7242 1 10 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.968 -2.441 25509 7243 1 10 . 1 1 159 159 TRP H H 159 5.628 5.628 7.607 -1.979 25509 7244 1 10 . 1 1 160 160 ASP N N 160 122.363 122.363 123.185 -0.822 25509 7245 1 10 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.625 -0.302 25509 7246 1 10 . 1 1 160 160 ASP C C 160 177.598 177.598 176.779 0.819 25509 7247 1 10 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.785 0.610 25509 7248 1 10 . 1 1 160 160 ASP H H 160 8.766 8.766 8.605 0.161 25509 7249 1 10 . 1 1 161 161 GLY N N 161 111.982 111.982 108.432 3.550 25509 7250 1 10 . 1 1 161 161 GLY C C 161 173.833 173.833 175.079 -1.246 25509 7251 1 10 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.506 -0.124 25509 7252 1 10 . 1 1 161 161 GLY H H 161 8.887 8.887 8.498 0.389 25509 7253 1 10 . 1 1 162 162 LEU N N 162 121.971 121.971 121.095 0.876 25509 7254 1 10 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.218 0.054 25509 7255 1 10 . 1 1 162 162 LEU C C 162 179.345 179.345 177.499 1.846 25509 7256 1 10 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.779 2.775 25509 7257 1 10 . 1 1 162 162 LEU H H 162 7.078 7.078 8.293 -1.215 25509 7258 1 10 . 1 1 163 163 ASP N N 163 118.366 118.366 118.462 -0.096 25509 7259 1 10 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.442 0.017 25509 7260 1 10 . 1 1 163 163 ASP C C 163 178.182 178.182 178.519 -0.337 25509 7261 1 10 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.429 -0.321 25509 7262 1 10 . 1 1 163 163 ASP H H 163 8.679 8.679 8.681 -0.002 25509 7263 1 10 . 1 1 164 164 GLU N N 164 121.998 121.998 118.751 3.247 25509 7264 1 10 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.315 -0.380 25509 7265 1 10 . 1 1 164 164 GLU C C 164 180.355 180.355 179.076 1.279 25509 7266 1 10 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.158 0.456 25509 7267 1 10 . 1 1 164 164 GLU H H 164 8.374 8.374 8.632 -0.258 25509 7268 1 10 . 1 1 165 165 HIS N N 165 120.268 120.268 118.822 1.446 25509 7269 1 10 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.503 0.099 25509 7270 1 10 . 1 1 165 165 HIS C C 165 178.924 178.924 177.698 1.226 25509 7271 1 10 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.223 0.170 25509 7272 1 10 . 1 1 165 165 HIS H H 165 8.707 8.707 8.478 0.229 25509 7273 1 10 . 1 1 166 166 SER N N 166 118.252 118.252 116.287 1.965 25509 7274 1 10 . 1 1 166 166 SER HA H 166 4.400 4.400 4.395 0.005 25509 7275 1 10 . 1 1 166 166 SER C C 166 177.421 177.421 176.656 0.765 25509 7276 1 10 . 1 1 166 166 SER CA C 166 63.202 63.202 61.770 1.432 25509 7277 1 10 . 1 1 166 166 SER H H 166 8.649 8.649 8.588 0.061 25509 7278 1 10 . 1 1 167 167 GLN N N 167 121.647 121.647 119.920 1.727 25509 7279 1 10 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.221 -0.045 25509 7280 1 10 . 1 1 167 167 GLN C C 167 179.643 179.643 177.936 1.707 25509 7281 1 10 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.338 0.444 25509 7282 1 10 . 1 1 167 167 GLN H H 167 8.645 8.645 8.288 0.357 25509 7283 1 10 . 1 1 168 168 ALA N N 168 124.242 124.242 123.386 0.856 25509 7284 1 10 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.113 0.136 25509 7285 1 10 . 1 1 168 168 ALA C C 168 181.949 181.949 179.566 2.383 25509 7286 1 10 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.934 -0.054 25509 7287 1 10 . 1 1 168 168 ALA H H 168 8.092 8.092 7.635 0.457 25509 7288 1 10 . 1 1 169 169 LEU N N 169 120.509 120.509 117.974 2.535 25509 7289 1 10 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.127 -0.040 25509 7290 1 10 . 1 1 169 169 LEU C C 169 179.159 179.159 178.962 0.197 25509 7291 1 10 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.131 0.472 25509 7292 1 10 . 1 1 169 169 LEU H H 169 8.526 8.526 8.283 0.243 25509 7293 1 10 . 1 1 170 170 SER N N 170 117.410 117.410 115.096 2.314 25509 7294 1 10 . 1 1 170 170 SER HA H 170 4.128 4.128 4.231 -0.103 25509 7295 1 10 . 1 1 170 170 SER C C 170 178.370 178.370 176.981 1.389 25509 7296 1 10 . 1 1 170 170 SER CA C 170 62.240 62.240 62.282 -0.042 25509 7297 1 10 . 1 1 170 170 SER H H 170 8.853 8.853 8.498 0.355 25509 7298 1 10 . 1 1 171 171 GLY N N 171 111.058 111.058 108.427 2.631 25509 7299 1 10 . 1 1 171 171 GLY C C 171 176.376 176.376 176.037 0.339 25509 7300 1 10 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.654 0.019 25509 7301 1 10 . 1 1 171 171 GLY H H 171 8.175 8.175 8.162 0.013 25509 7302 1 10 . 1 1 172 172 ARG N N 172 123.131 123.131 121.155 1.976 25509 7303 1 10 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.325 -0.134 25509 7304 1 10 . 1 1 172 172 ARG C C 172 178.807 178.807 178.579 0.228 25509 7305 1 10 . 1 1 172 172 ARG CA C 172 58.189 58.189 58.265 -0.076 25509 7306 1 10 . 1 1 172 172 ARG H H 172 7.578 7.578 7.532 0.046 25509 7307 1 10 . 1 1 173 173 LEU N N 173 120.594 120.594 120.314 0.280 25509 7308 1 10 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.239 -0.247 25509 7309 1 10 . 1 1 173 173 LEU C C 173 178.396 178.396 178.305 0.091 25509 7310 1 10 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.234 -0.773 25509 7311 1 10 . 1 1 173 173 LEU H H 173 8.813 8.813 7.825 0.988 25509 7312 1 10 . 1 1 174 174 GLY N N 174 105.456 105.456 106.107 -0.651 25509 7313 1 10 . 1 1 174 174 GLY C C 174 176.170 176.170 175.988 0.182 25509 7314 1 10 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.638 0.003 25509 7315 1 10 . 1 1 174 174 GLY H H 174 8.221 8.221 7.844 0.377 25509 7316 1 10 . 1 1 175 175 GLU N N 175 120.171 120.171 121.405 -1.234 25509 7317 1 10 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.166 -0.086 25509 7318 1 10 . 1 1 175 175 GLU C C 175 179.100 179.100 178.909 0.191 25509 7319 1 10 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.463 -0.013 25509 7320 1 10 . 1 1 175 175 GLU H H 175 7.478 7.478 7.655 -0.177 25509 7321 1 10 . 1 1 176 176 ILE N N 176 119.642 119.642 119.767 -0.125 25509 7322 1 10 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.787 -0.107 25509 7323 1 10 . 1 1 176 176 ILE C C 176 177.560 177.560 177.757 -0.197 25509 7324 1 10 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.474 -0.998 25509 7325 1 10 . 1 1 176 176 ILE H H 176 7.755 7.755 7.501 0.254 25509 7326 1 10 . 1 1 177 177 LEU N N 177 116.019 116.019 117.080 -1.061 25509 7327 1 10 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.330 -0.239 25509 7328 1 10 . 1 1 177 177 LEU C C 177 177.520 177.520 177.683 -0.163 25509 7329 1 10 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.687 -1.435 25509 7330 1 10 . 1 1 177 177 LEU H H 177 8.067 8.067 7.481 0.586 25509 7331 1 10 . 1 1 178 178 ARG N N 178 118.755 118.755 117.415 1.340 25509 7332 1 10 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.333 -0.194 25509 7333 1 10 . 1 1 178 178 ARG C C 178 175.953 175.953 177.244 -1.291 25509 7334 1 10 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.843 -1.160 25509 7335 1 10 . 1 1 178 178 ARG H H 178 7.566 7.566 7.736 -0.170 25509 7336 1 10 . 1 1 179 179 HIS N N 179 120.648 120.648 117.398 3.250 25509 7337 1 10 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.605 0.007 25509 7338 1 10 . 1 1 179 179 HIS C C 179 174.365 174.365 174.443 -0.078 25509 7339 1 10 . 1 1 179 179 HIS CA C 179 55.781 55.781 55.145 0.636 25509 7340 1 10 . 1 1 179 179 HIS H H 179 8.140 8.140 8.084 0.056 25509 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 145 2.942 -0.721 2.862 25509 2 1 1 "Average Difference" HA 141 0.409 0.067 0.405 25509 3 1 1 "Average Difference" C 154 1.237 0.003 1.241 25509 4 1 1 "Average Difference" CA 159 2.176 0.571 2.107 25509 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25509 6 1 1 "Average Difference" HN 145 0.614 -0.041 0.615 25509 7 1 2 "Average Difference" N 145 3.309 -0.737 3.237 25509 8 1 2 "Average Difference" HA 141 0.418 0.049 0.416 25509 9 1 2 "Average Difference" C 154 1.180 -0.023 1.184 25509 10 1 2 "Average Difference" CA 159 2.100 0.528 2.039 25509 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25509 12 1 2 "Average Difference" HN 145 0.598 -0.083 0.594 25509 13 1 3 "Average Difference" N 145 2.955 -0.536 2.916 25509 14 1 3 "Average Difference" HA 141 0.401 0.083 0.393 25509 15 1 3 "Average Difference" C 154 1.278 -0.085 1.279 25509 16 1 3 "Average Difference" CA 159 2.163 0.471 2.118 25509 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25509 18 1 3 "Average Difference" HN 145 0.561 -0.032 0.562 25509 19 1 4 "Average Difference" N 145 3.168 -0.405 3.153 25509 20 1 4 "Average Difference" HA 141 0.420 0.070 0.415 25509 21 1 4 "Average Difference" C 154 1.209 -0.114 1.208 25509 22 1 4 "Average Difference" CA 159 2.149 0.535 2.089 25509 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25509 24 1 4 "Average Difference" HN 145 0.601 -0.032 0.603 25509 25 1 5 "Average Difference" N 145 3.098 -0.687 3.031 25509 26 1 5 "Average Difference" HA 141 0.404 0.061 0.401 25509 27 1 5 "Average Difference" C 154 1.258 -0.011 1.262 25509 28 1 5 "Average Difference" CA 159 2.139 0.644 2.047 25509 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25509 30 1 5 "Average Difference" HN 145 0.608 -0.047 0.609 25509 31 1 6 "Average Difference" N 145 3.003 -0.927 2.866 25509 32 1 6 "Average Difference" HA 141 0.413 0.065 0.409 25509 33 1 6 "Average Difference" C 154 1.218 -0.028 1.222 25509 34 1 6 "Average Difference" CA 159 2.126 0.553 2.059 25509 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25509 36 1 6 "Average Difference" HN 145 0.621 -0.078 0.618 25509 37 1 7 "Average Difference" N 145 3.110 -0.764 3.025 25509 38 1 7 "Average Difference" HA 141 0.440 0.048 0.439 25509 39 1 7 "Average Difference" C 154 1.228 -0.035 1.232 25509 40 1 7 "Average Difference" CA 159 2.107 0.573 2.034 25509 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25509 42 1 7 "Average Difference" HN 145 0.626 -0.094 0.621 25509 43 1 8 "Average Difference" N 145 3.253 -0.578 3.212 25509 44 1 8 "Average Difference" HA 141 0.403 0.059 0.400 25509 45 1 8 "Average Difference" C 154 1.293 -0.071 1.296 25509 46 1 8 "Average Difference" CA 159 2.162 0.516 2.106 25509 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25509 48 1 8 "Average Difference" HN 145 0.581 -0.046 0.582 25509 49 1 9 "Average Difference" N 145 3.057 -0.363 3.046 25509 50 1 9 "Average Difference" HA 141 0.418 0.048 0.417 25509 51 1 9 "Average Difference" C 154 1.207 -0.001 1.211 25509 52 1 9 "Average Difference" CA 159 2.132 0.594 2.054 25509 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25509 54 1 9 "Average Difference" HN 145 0.596 -0.061 0.595 25509 55 1 10 "Average Difference" N 145 3.010 -0.712 2.935 25509 56 1 10 "Average Difference" HA 141 0.405 0.070 0.400 25509 57 1 10 "Average Difference" C 154 1.199 -0.142 1.194 25509 58 1 10 "Average Difference" CA 159 2.129 0.594 2.051 25509 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25509 60 1 10 "Average Difference" HN 145 0.639 -0.056 0.639 25509 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 25509 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 123.241 123.241 121.595 1.646 25509 2 1 . 1 1 2 2 ASP C C 2 174.657 174.657 174.402 0.255 25509 3 1 . 1 1 2 2 ASP CA C 2 52.100 52.100 53.405 -1.305 25509 4 1 . 1 1 2 2 ASP H H 2 8.114 8.114 8.367 -0.253 25509 5 1 . 1 1 3 3 PRO C C 3 178.464 178.464 175.703 2.761 25509 6 1 . 1 1 3 3 PRO CA C 3 66.499 66.499 63.107 3.392 25509 7 1 . 1 1 4 4 ASP N N 4 118.258 118.258 123.033 -4.775 25509 8 1 . 1 1 4 4 ASP HA H 4 4.448 4.448 4.703 -0.255 25509 9 1 . 1 1 4 4 ASP C C 4 178.808 178.808 177.378 1.430 25509 10 1 . 1 1 4 4 ASP CA C 4 57.247 57.247 55.744 1.503 25509 11 1 . 1 1 4 4 ASP H H 4 8.509 8.509 8.615 -0.106 25509 12 1 . 1 1 5 5 THR N N 5 119.780 119.780 115.658 4.122 25509 13 1 . 1 1 5 5 THR HA H 5 3.859 3.859 4.377 -0.518 25509 14 1 . 1 1 5 5 THR C C 5 177.699 177.699 175.916 1.783 25509 15 1 . 1 1 5 5 THR CA C 5 66.182 66.182 65.441 0.741 25509 16 1 . 1 1 5 5 THR H H 5 8.150 8.150 8.422 -0.272 25509 17 1 . 1 1 6 6 PHE N N 6 124.329 124.329 122.782 1.547 25509 18 1 . 1 1 6 6 PHE HA H 6 4.204 4.204 4.646 -0.442 25509 19 1 . 1 1 6 6 PHE C C 6 176.665 176.665 176.872 -0.207 25509 20 1 . 1 1 6 6 PHE CA C 6 61.800 61.800 61.247 0.553 25509 21 1 . 1 1 6 6 PHE H H 6 8.297 8.297 8.455 -0.158 25509 22 1 . 1 1 7 7 SER N N 7 116.185 116.185 113.886 2.299 25509 23 1 . 1 1 7 7 SER C C 7 176.138 176.138 175.650 0.488 25509 24 1 . 1 1 7 7 SER CA C 7 61.480 61.480 61.009 0.471 25509 25 1 . 1 1 7 7 SER H H 7 8.752 8.752 8.604 0.148 25509 26 1 . 1 1 8 8 TYR N N 8 118.689 118.689 119.774 -1.085 25509 27 1 . 1 1 8 8 TYR HA H 8 4.047 4.047 4.380 -0.333 25509 28 1 . 1 1 8 8 TYR C C 8 177.077 177.077 176.752 0.325 25509 29 1 . 1 1 8 8 TYR CA C 8 60.282 60.282 60.940 -0.658 25509 30 1 . 1 1 8 8 TYR H H 8 7.967 7.967 7.643 0.324 25509 31 1 . 1 1 9 9 ASN N N 9 113.034 113.034 114.937 -1.903 25509 32 1 . 1 1 9 9 ASN HA H 9 4.230 4.230 4.685 -0.455 25509 33 1 . 1 1 9 9 ASN C C 9 175.101 175.101 175.918 -0.817 25509 34 1 . 1 1 9 9 ASN CA C 9 56.087 56.087 53.999 2.088 25509 35 1 . 1 1 9 9 ASN H H 9 7.577 7.577 7.894 -0.318 25509 36 1 . 1 1 10 10 PHE N N 10 117.719 117.719 117.996 -0.277 25509 37 1 . 1 1 10 10 PHE HA H 10 3.876 3.876 4.482 -0.606 25509 38 1 . 1 1 10 10 PHE C C 10 171.880 171.880 175.258 -3.378 25509 39 1 . 1 1 10 10 PHE CA C 10 58.762 58.762 58.423 0.339 25509 40 1 . 1 1 10 10 PHE H H 10 8.655 8.655 7.709 0.946 25509 41 1 . 1 1 11 11 ASN N N 11 114.885 114.885 117.867 -2.982 25509 42 1 . 1 1 11 11 ASN C C 11 174.730 174.730 174.363 0.367 25509 43 1 . 1 1 11 11 ASN CA C 11 53.439 53.439 53.600 -0.161 25509 44 1 . 1 1 11 11 ASN H H 11 6.097 6.097 7.604 -1.507 25509 45 1 . 1 1 12 12 ASN N N 12 121.039 121.039 118.390 2.649 25509 46 1 . 1 1 12 12 ASN HA H 12 4.365 4.365 4.706 -0.341 25509 47 1 . 1 1 12 12 ASN C C 12 174.578 174.578 174.647 -0.069 25509 48 1 . 1 1 12 12 ASN CA C 12 51.417 51.417 53.876 -2.459 25509 49 1 . 1 1 12 12 ASN H H 12 6.688 6.688 8.856 -2.168 25509 50 1 . 1 1 13 13 ARG N N 13 119.646 119.646 119.284 0.362 25509 51 1 . 1 1 13 13 ARG HA H 13 3.588 3.588 4.443 -0.856 25509 52 1 . 1 1 13 13 ARG C C 13 175.049 175.049 174.060 0.989 25509 53 1 . 1 1 13 13 ARG CA C 13 54.330 54.330 53.410 0.920 25509 54 1 . 1 1 13 13 ARG H H 13 7.589 7.589 7.761 -0.172 25509 55 1 . 1 1 14 14 PRO C C 14 176.477 176.477 176.671 -0.194 25509 56 1 . 1 1 14 14 PRO CA C 14 63.180 63.180 62.422 0.758 25509 57 1 . 1 1 15 15 ILE N N 15 120.304 120.304 120.804 -0.500 25509 58 1 . 1 1 15 15 ILE HA H 15 4.283 4.283 3.785 0.498 25509 59 1 . 1 1 15 15 ILE C C 15 175.956 175.956 176.527 -0.571 25509 60 1 . 1 1 15 15 ILE CA C 15 60.026 60.026 62.442 -2.416 25509 61 1 . 1 1 15 15 ILE H H 15 7.827 7.827 8.111 -0.284 25509 62 1 . 1 1 16 16 LEU N N 16 124.585 124.585 120.107 4.478 25509 63 1 . 1 1 16 16 LEU HA H 16 4.301 4.301 4.469 -0.168 25509 64 1 . 1 1 16 16 LEU C C 16 177.213 177.213 175.971 1.242 25509 65 1 . 1 1 16 16 LEU CA C 16 55.089 55.089 54.455 0.634 25509 66 1 . 1 1 16 16 LEU H H 16 8.283 8.283 7.717 0.565 25509 67 1 . 1 1 17 17 SER N N 17 115.176 115.176 116.550 -1.374 25509 68 1 . 1 1 17 17 SER C C 17 173.733 173.733 173.983 -0.250 25509 69 1 . 1 1 17 17 SER CA C 17 57.371 57.371 58.444 -1.073 25509 70 1 . 1 1 17 17 SER H H 17 7.782 7.782 8.266 -0.484 25509 71 1 . 1 1 18 18 ARG N N 18 122.072 122.072 122.301 -0.229 25509 72 1 . 1 1 18 18 ARG HA H 18 4.204 4.204 4.374 -0.170 25509 73 1 . 1 1 18 18 ARG C C 18 176.524 176.524 175.389 1.135 25509 74 1 . 1 1 18 18 ARG CA C 18 55.944 55.944 56.112 -0.168 25509 75 1 . 1 1 18 18 ARG H H 18 8.318 8.318 8.379 -0.061 25509 76 1 . 1 1 21 21 THR HA H 21 4.574 4.574 4.461 0.113 25509 77 1 . 1 1 22 22 VAL HA H 22 4.030 4.030 4.270 -0.240 25509 78 1 . 1 1 22 22 VAL CA C 22 61.772 61.772 61.178 0.594 25509 79 1 . 1 1 24 24 LEU HA H 24 5.079 5.079 5.061 0.018 25509 80 1 . 1 1 24 24 LEU C C 24 174.326 174.326 175.539 -1.213 25509 81 1 . 1 1 24 24 LEU CA C 24 54.203 54.203 54.028 0.174 25509 82 1 . 1 1 25 25 CYS N N 25 126.908 126.908 121.764 5.144 25509 83 1 . 1 1 25 25 CYS HA H 25 4.699 4.699 5.356 -0.657 25509 84 1 . 1 1 25 25 CYS C C 25 173.285 173.285 174.472 -1.187 25509 85 1 . 1 1 25 25 CYS CA C 25 57.086 57.086 58.223 -1.137 25509 86 1 . 1 1 25 25 CYS H H 25 9.325 9.325 8.527 0.798 25509 87 1 . 1 1 26 26 TYR N N 26 120.745 120.745 123.196 -2.451 25509 88 1 . 1 1 26 26 TYR HA H 26 6.300 6.300 5.919 0.381 25509 89 1 . 1 1 26 26 TYR C C 26 173.449 173.449 174.066 -0.617 25509 90 1 . 1 1 26 26 TYR CA C 26 54.582 54.582 54.760 -0.178 25509 91 1 . 1 1 26 26 TYR H H 26 9.039 9.039 8.719 0.320 25509 92 1 . 1 1 27 27 GLU N N 27 118.222 118.222 119.854 -1.632 25509 93 1 . 1 1 27 27 GLU C C 27 175.348 175.348 175.862 -0.514 25509 94 1 . 1 1 27 27 GLU CA C 27 54.548 54.548 55.131 -0.583 25509 95 1 . 1 1 27 27 GLU H H 27 9.358 9.358 8.848 0.510 25509 96 1 . 1 1 28 28 VAL N N 28 124.182 124.182 124.002 0.181 25509 97 1 . 1 1 28 28 VAL HA H 28 4.914 4.914 4.671 0.243 25509 98 1 . 1 1 28 28 VAL C C 28 174.085 174.085 175.019 -0.934 25509 99 1 . 1 1 28 28 VAL CA C 28 61.231 61.231 62.281 -1.050 25509 100 1 . 1 1 28 28 VAL H H 28 9.479 9.479 9.315 0.164 25509 101 1 . 1 1 29 29 LYS N N 29 127.566 127.566 126.389 1.177 25509 102 1 . 1 1 29 29 LYS HA H 29 5.391 5.391 4.862 0.529 25509 103 1 . 1 1 29 29 LYS C C 29 175.631 175.631 175.165 0.466 25509 104 1 . 1 1 29 29 LYS CA C 29 54.136 54.136 53.977 0.159 25509 105 1 . 1 1 29 29 LYS H H 29 9.151 9.151 8.842 0.309 25509 106 1 . 1 1 30 30 THR N N 30 118.721 118.721 112.322 6.399 25509 107 1 . 1 1 30 30 THR HA H 30 4.617 4.617 4.229 0.388 25509 108 1 . 1 1 30 30 THR C C 30 173.948 173.948 175.000 -1.052 25509 109 1 . 1 1 30 30 THR CA C 30 61.228 61.228 60.379 0.849 25509 110 1 . 1 1 30 30 THR H H 30 8.615 8.615 8.126 0.489 25509 111 1 . 1 1 31 31 LYS N N 31 125.634 125.634 121.832 3.802 25509 112 1 . 1 1 31 31 LYS HA H 31 3.868 3.868 4.073 -0.205 25509 113 1 . 1 1 31 31 LYS C C 31 176.799 176.799 177.256 -0.457 25509 114 1 . 1 1 31 31 LYS CA C 31 56.250 56.250 58.038 -1.788 25509 115 1 . 1 1 31 31 LYS H H 31 8.400 8.400 8.398 0.002 25509 116 1 . 1 1 32 32 GLY N N 32 111.069 111.069 107.624 3.445 25509 117 1 . 1 1 32 32 GLY C C 32 171.007 171.007 172.636 -1.629 25509 118 1 . 1 1 32 32 GLY CA C 32 44.006 44.006 43.790 0.216 25509 119 1 . 1 1 32 32 GLY H H 32 8.170 8.170 8.102 0.068 25509 120 1 . 1 1 33 33 PRO C C 33 176.964 176.964 176.770 0.194 25509 121 1 . 1 1 33 33 PRO CA C 33 62.675 62.675 62.984 -0.309 25509 122 1 . 1 1 34 34 SER N N 34 117.301 117.301 116.202 1.099 25509 123 1 . 1 1 34 34 SER HA H 34 4.372 4.372 4.503 -0.131 25509 124 1 . 1 1 34 34 SER C C 34 173.728 173.728 174.772 -1.044 25509 125 1 . 1 1 34 34 SER CA C 34 57.933 57.933 57.728 0.205 25509 126 1 . 1 1 34 34 SER H H 34 8.383 8.383 8.173 0.210 25509 127 1 . 1 1 35 35 ARG N N 35 123.829 123.829 122.844 0.985 25509 128 1 . 1 1 35 35 ARG HA H 35 4.572 4.572 4.455 0.117 25509 129 1 . 1 1 35 35 ARG C C 35 173.256 173.256 175.043 -1.787 25509 130 1 . 1 1 35 35 ARG CA C 35 53.217 53.217 55.638 -2.421 25509 131 1 . 1 1 35 35 ARG H H 35 8.153 8.153 8.390 -0.237 25509 132 1 . 1 1 37 37 PRO C C 37 176.060 176.060 176.838 -0.778 25509 133 1 . 1 1 37 37 PRO CA C 37 63.234 63.234 63.326 -0.092 25509 134 1 . 1 1 38 38 LEU N N 38 126.508 126.508 120.777 5.731 25509 135 1 . 1 1 38 38 LEU HA H 38 4.139 4.139 4.347 -0.208 25509 136 1 . 1 1 38 38 LEU C C 38 176.490 176.490 177.478 -0.988 25509 137 1 . 1 1 38 38 LEU CA C 38 55.202 55.202 54.936 0.266 25509 138 1 . 1 1 38 38 LEU H H 38 8.347 8.347 7.754 0.593 25509 139 1 . 1 1 39 39 ASP N N 39 120.060 120.060 118.643 1.417 25509 140 1 . 1 1 39 39 ASP HA H 39 4.371 4.371 4.528 -0.157 25509 141 1 . 1 1 39 39 ASP C C 39 175.525 175.525 175.986 -0.461 25509 142 1 . 1 1 39 39 ASP CA C 39 53.948 53.948 55.236 -1.288 25509 143 1 . 1 1 39 39 ASP H H 39 8.299 8.299 8.546 -0.247 25509 144 1 . 1 1 40 40 ALA N N 40 123.020 123.020 121.048 1.972 25509 145 1 . 1 1 40 40 ALA HA H 40 4.366 4.366 4.324 0.042 25509 146 1 . 1 1 40 40 ALA C C 40 177.243 177.243 176.459 0.784 25509 147 1 . 1 1 40 40 ALA CA C 40 51.583 51.583 52.429 -0.846 25509 148 1 . 1 1 40 40 ALA H H 40 7.972 7.972 7.869 0.103 25509 149 1 . 1 1 41 41 LYS N N 41 120.582 120.582 120.184 0.398 25509 150 1 . 1 1 41 41 LYS HA H 41 4.350 4.350 4.334 0.016 25509 151 1 . 1 1 41 41 LYS C C 41 175.874 175.874 174.807 1.067 25509 152 1 . 1 1 41 41 LYS CA C 41 56.520 56.520 56.416 0.104 25509 153 1 . 1 1 41 41 LYS H H 41 8.286 8.286 8.433 -0.147 25509 154 1 . 1 1 42 42 ILE N N 42 119.815 119.815 119.534 0.281 25509 155 1 . 1 1 42 42 ILE HA H 42 4.878 4.878 4.833 0.045 25509 156 1 . 1 1 42 42 ILE C C 42 174.828 174.828 175.242 -0.414 25509 157 1 . 1 1 42 42 ILE CA C 42 59.878 59.878 60.273 -0.395 25509 158 1 . 1 1 42 42 ILE H H 42 7.830 7.830 7.681 0.149 25509 159 1 . 1 1 43 43 PHE N N 43 126.131 126.131 128.098 -1.967 25509 160 1 . 1 1 43 43 PHE HA H 43 4.885 4.885 4.915 -0.030 25509 161 1 . 1 1 43 43 PHE C C 43 173.801 173.801 173.853 -0.052 25509 162 1 . 1 1 43 43 PHE CA C 43 56.273 56.273 56.606 -0.333 25509 163 1 . 1 1 43 43 PHE H H 43 8.780 8.780 8.738 0.042 25509 164 1 . 1 1 44 44 ARG N N 44 122.879 122.879 124.271 -1.392 25509 165 1 . 1 1 44 44 ARG HA H 44 5.506 5.506 5.104 0.402 25509 166 1 . 1 1 44 44 ARG C C 44 175.196 175.196 175.129 0.067 25509 167 1 . 1 1 44 44 ARG CA C 44 54.267 54.267 54.569 -0.302 25509 168 1 . 1 1 44 44 ARG H H 44 8.368 8.368 8.045 0.323 25509 169 1 . 1 1 45 45 GLY N N 45 108.917 108.917 109.009 -0.092 25509 170 1 . 1 1 45 45 GLY C C 45 169.838 169.838 171.965 -2.127 25509 171 1 . 1 1 45 45 GLY CA C 45 44.841 44.841 44.306 0.535 25509 172 1 . 1 1 45 45 GLY H H 45 7.714 7.714 7.834 -0.120 25509 173 1 . 1 1 46 46 GLN N N 46 113.774 113.774 117.450 -3.676 25509 174 1 . 1 1 46 46 GLN HA H 46 5.607 5.607 5.165 0.442 25509 175 1 . 1 1 46 46 GLN C C 46 174.884 174.884 174.887 -0.003 25509 176 1 . 1 1 46 46 GLN CA C 46 53.906 53.906 55.089 -1.183 25509 177 1 . 1 1 46 46 GLN H H 46 8.411 8.411 8.553 -0.142 25509 178 1 . 1 1 47 47 VAL N N 47 120.282 120.282 120.334 -0.052 25509 179 1 . 1 1 47 47 VAL HA H 47 4.375 4.375 4.412 -0.036 25509 180 1 . 1 1 47 47 VAL C C 47 172.005 172.005 174.978 -2.973 25509 181 1 . 1 1 47 47 VAL CA C 47 59.977 59.977 61.815 -1.838 25509 182 1 . 1 1 47 47 VAL H H 47 9.499 9.499 8.548 0.951 25509 183 1 . 1 1 49 49 SER C C 49 173.486 173.486 174.392 -0.906 25509 184 1 . 1 1 49 49 SER CA C 49 57.077 57.077 58.905 -1.828 25509 185 1 . 1 1 50 50 GLU N N 50 123.998 123.998 122.309 1.690 25509 186 1 . 1 1 50 50 GLU C C 50 175.276 175.276 175.524 -0.248 25509 187 1 . 1 1 50 50 GLU CA C 50 54.505 54.505 56.273 -1.768 25509 188 1 . 1 1 50 50 GLU H H 50 8.748 8.748 8.493 0.255 25509 189 1 . 1 1 51 51 ASP N N 51 123.737 123.737 120.782 2.955 25509 190 1 . 1 1 51 51 ASP C C 51 176.320 176.320 176.457 -0.137 25509 191 1 . 1 1 51 51 ASP CA C 51 52.910 52.910 53.785 -0.875 25509 192 1 . 1 1 51 51 ASP H H 51 8.479 8.479 8.180 0.299 25509 193 1 . 1 1 52 52 LYS N N 52 114.578 114.578 121.177 -6.599 25509 194 1 . 1 1 52 52 LYS HA H 52 4.132 4.132 4.212 -0.080 25509 195 1 . 1 1 52 52 LYS C C 52 175.538 175.538 176.666 -1.128 25509 196 1 . 1 1 52 52 LYS CA C 52 57.089 57.089 57.536 -0.447 25509 197 1 . 1 1 52 52 LYS H H 52 7.677 7.677 8.350 -0.673 25509 198 1 . 1 1 53 53 TYR N N 53 124.836 124.836 118.915 5.921 25509 199 1 . 1 1 53 53 TYR HA H 53 4.770 4.770 4.572 0.198 25509 200 1 . 1 1 53 53 TYR C C 53 175.498 175.498 175.656 -0.158 25509 201 1 . 1 1 53 53 TYR CA C 53 53.507 53.507 57.460 -3.953 25509 202 1 . 1 1 53 53 TYR H H 53 8.490 8.490 7.854 0.637 25509 203 1 . 1 1 54 54 HIS N N 54 128.974 128.974 122.466 6.508 25509 204 1 . 1 1 54 54 HIS HA H 54 4.756 4.756 4.626 0.130 25509 205 1 . 1 1 54 54 HIS C C 54 174.123 174.123 174.352 -0.229 25509 206 1 . 1 1 54 54 HIS CA C 54 53.734 53.734 56.136 -2.401 25509 207 1 . 1 1 54 54 HIS H H 54 8.622 8.622 8.505 0.117 25509 208 1 . 1 1 56 56 GLU C C 56 178.356 178.356 177.373 0.983 25509 209 1 . 1 1 56 56 GLU CA C 56 60.597 60.597 57.880 2.717 25509 210 1 . 1 1 57 57 MET N N 57 113.971 113.971 117.888 -3.917 25509 211 1 . 1 1 57 57 MET HA H 57 4.433 4.433 4.457 -0.024 25509 212 1 . 1 1 57 57 MET C C 57 180.454 180.454 177.922 2.532 25509 213 1 . 1 1 57 57 MET CA C 57 55.453 55.453 57.810 -2.357 25509 214 1 . 1 1 57 57 MET H H 57 6.807 6.807 8.086 -1.279 25509 215 1 . 1 1 58 58 ARG N N 58 123.367 123.367 120.063 3.304 25509 216 1 . 1 1 58 58 ARG HA H 58 3.764 3.764 4.067 -0.303 25509 217 1 . 1 1 58 58 ARG C C 58 179.588 179.588 178.061 1.527 25509 218 1 . 1 1 58 58 ARG CA C 58 58.505 58.505 59.111 -0.606 25509 219 1 . 1 1 58 58 ARG H H 58 7.658 7.658 8.095 -0.437 25509 220 1 . 1 1 59 59 PHE N N 59 121.256 121.256 119.596 1.660 25509 221 1 . 1 1 59 59 PHE HA H 59 3.558 3.558 4.191 -0.633 25509 222 1 . 1 1 59 59 PHE C C 59 175.915 175.915 175.960 -0.045 25509 223 1 . 1 1 59 59 PHE CA C 59 61.355 61.355 59.618 1.737 25509 224 1 . 1 1 59 59 PHE H H 59 8.925 8.925 7.817 1.109 25509 225 1 . 1 1 60 60 LEU N N 60 118.280 118.280 118.558 -0.278 25509 226 1 . 1 1 60 60 LEU HA H 60 3.472 3.472 3.622 -0.150 25509 227 1 . 1 1 60 60 LEU C C 60 179.572 179.572 178.523 1.049 25509 228 1 . 1 1 60 60 LEU CA C 60 57.365 57.365 57.289 0.076 25509 229 1 . 1 1 60 60 LEU H H 60 7.587 7.587 7.414 0.173 25509 230 1 . 1 1 61 61 SER N N 61 115.099 115.099 115.527 -0.428 25509 231 1 . 1 1 61 61 SER HA H 61 4.053 4.053 4.064 -0.011 25509 232 1 . 1 1 61 61 SER C C 61 176.822 176.822 176.386 0.436 25509 233 1 . 1 1 61 61 SER CA C 61 60.923 60.923 61.853 -0.930 25509 234 1 . 1 1 61 61 SER H H 61 7.479 7.479 7.993 -0.514 25509 235 1 . 1 1 62 62 LEU N N 62 123.881 123.881 118.598 5.283 25509 236 1 . 1 1 62 62 LEU HA H 62 3.394 3.394 3.905 -0.511 25509 237 1 . 1 1 62 62 LEU C C 62 177.319 177.319 177.360 -0.041 25509 238 1 . 1 1 62 62 LEU CA C 62 56.877 56.877 57.340 -0.463 25509 239 1 . 1 1 62 62 LEU H H 62 7.302 7.302 7.316 -0.014 25509 240 1 . 1 1 63 63 VAL N N 63 115.745 115.745 118.381 -2.636 25509 241 1 . 1 1 63 63 VAL HA H 63 2.679 2.679 3.000 -0.321 25509 242 1 . 1 1 63 63 VAL C C 63 178.913 178.913 177.866 1.046 25509 243 1 . 1 1 63 63 VAL CA C 63 64.567 64.567 65.726 -1.159 25509 244 1 . 1 1 63 63 VAL H H 63 7.039 7.039 7.122 -0.083 25509 245 1 . 1 1 64 64 SER N N 64 114.324 114.324 113.777 0.547 25509 246 1 . 1 1 64 64 SER C C 64 176.376 176.376 175.588 0.788 25509 247 1 . 1 1 64 64 SER CA C 64 60.925 60.925 60.821 0.104 25509 248 1 . 1 1 64 64 SER H H 64 7.205 7.205 7.603 -0.398 25509 249 1 . 1 1 65 65 LYS N N 65 121.823 121.823 118.977 2.846 25509 250 1 . 1 1 65 65 LYS HA H 65 4.075 4.075 4.273 -0.198 25509 251 1 . 1 1 65 65 LYS C C 65 178.346 178.346 177.323 1.023 25509 252 1 . 1 1 65 65 LYS CA C 65 57.294 57.294 57.240 0.054 25509 253 1 . 1 1 65 65 LYS H H 65 7.294 7.294 7.573 -0.279 25509 254 1 . 1 1 66 66 TRP N N 66 120.291 120.291 121.103 -0.812 25509 255 1 . 1 1 66 66 TRP HA H 66 4.474 4.474 4.609 -0.135 25509 256 1 . 1 1 66 66 TRP CA C 66 56.009 56.009 56.785 -0.776 25509 257 1 . 1 1 66 66 TRP H H 66 7.834 7.834 7.675 0.159 25509 258 1 . 1 1 69 69 HIS C C 69 176.475 176.475 174.569 1.906 25509 259 1 . 1 1 69 69 HIS CA C 69 56.029 56.029 55.852 0.177 25509 260 1 . 1 1 70 70 ARG N N 70 121.733 121.733 122.503 -0.770 25509 261 1 . 1 1 70 70 ARG HA H 70 3.497 3.497 4.312 -0.815 25509 262 1 . 1 1 70 70 ARG C C 70 175.806 175.806 175.935 -0.129 25509 263 1 . 1 1 70 70 ARG CA C 70 57.342 57.342 56.919 0.423 25509 264 1 . 1 1 70 70 ARG H H 70 8.527 8.527 8.307 0.220 25509 265 1 . 1 1 71 71 ASP N N 71 116.800 116.800 121.547 -4.747 25509 266 1 . 1 1 71 71 ASP C C 71 175.213 175.213 176.481 -1.268 25509 267 1 . 1 1 71 71 ASP CA C 71 53.027 53.027 55.358 -2.331 25509 268 1 . 1 1 71 71 ASP H H 71 8.599 8.599 8.592 0.007 25509 269 1 . 1 1 72 72 GLN N N 72 119.761 119.761 118.106 1.655 25509 270 1 . 1 1 72 72 GLN HA H 72 4.522 4.522 4.352 0.170 25509 271 1 . 1 1 72 72 GLN C C 72 172.972 172.972 174.954 -1.982 25509 272 1 . 1 1 72 72 GLN CA C 72 53.807 53.807 56.516 -2.709 25509 273 1 . 1 1 72 72 GLN H H 72 7.629 7.629 8.305 -0.676 25509 274 1 . 1 1 73 73 GLU N N 73 117.994 117.994 118.471 -0.477 25509 275 1 . 1 1 73 73 GLU C C 73 176.011 176.011 175.220 0.791 25509 276 1 . 1 1 73 73 GLU CA C 73 54.896 54.896 55.306 -0.410 25509 277 1 . 1 1 73 73 GLU H H 73 7.984 7.984 8.280 -0.296 25509 278 1 . 1 1 74 74 TYR N N 74 120.098 120.098 121.858 -1.760 25509 279 1 . 1 1 74 74 TYR HA H 74 5.123 5.123 4.845 0.278 25509 280 1 . 1 1 74 74 TYR C C 74 174.675 174.675 173.707 0.968 25509 281 1 . 1 1 74 74 TYR CA C 74 56.742 56.742 57.288 -0.546 25509 282 1 . 1 1 74 74 TYR H H 74 8.860 8.860 8.598 0.262 25509 283 1 . 1 1 75 75 GLU N N 75 123.539 123.539 123.415 0.124 25509 284 1 . 1 1 75 75 GLU HA H 75 4.893 4.893 5.162 -0.269 25509 285 1 . 1 1 75 75 GLU C C 75 175.614 175.614 174.577 1.037 25509 286 1 . 1 1 75 75 GLU CA C 75 54.571 54.571 54.111 0.460 25509 287 1 . 1 1 75 75 GLU H H 75 9.321 9.321 8.544 0.777 25509 288 1 . 1 1 76 76 VAL N N 76 128.647 128.647 126.882 1.765 25509 289 1 . 1 1 76 76 VAL HA H 76 5.186 5.186 5.225 -0.039 25509 290 1 . 1 1 76 76 VAL C C 76 175.004 175.004 175.204 -0.200 25509 291 1 . 1 1 76 76 VAL CA C 76 60.376 60.376 60.073 0.303 25509 292 1 . 1 1 76 76 VAL H H 76 9.399 9.399 8.980 0.419 25509 293 1 . 1 1 77 77 THR N N 77 126.297 126.297 122.678 3.619 25509 294 1 . 1 1 77 77 THR HA H 77 5.223 5.223 4.651 0.572 25509 295 1 . 1 1 77 77 THR C C 77 173.353 173.353 173.277 0.076 25509 296 1 . 1 1 77 77 THR CA C 77 61.442 61.442 62.194 -0.752 25509 297 1 . 1 1 77 77 THR H H 77 9.597 9.597 8.592 1.005 25509 298 1 . 1 1 78 78 TRP N N 78 125.914 125.914 127.855 -1.941 25509 299 1 . 1 1 78 78 TRP HA H 78 5.670 5.670 4.894 0.776 25509 300 1 . 1 1 78 78 TRP C C 78 174.723 174.723 174.353 0.370 25509 301 1 . 1 1 78 78 TRP CA C 78 48.205 48.205 55.181 -6.976 25509 302 1 . 1 1 78 78 TRP H H 78 9.173 9.173 9.215 -0.042 25509 303 1 . 1 1 79 79 TYR N N 79 120.962 120.962 124.828 -3.866 25509 304 1 . 1 1 79 79 TYR HA H 79 5.317 5.317 4.702 0.616 25509 305 1 . 1 1 79 79 TYR CA C 79 56.699 56.699 58.119 -1.420 25509 306 1 . 1 1 79 79 TYR H H 79 9.322 9.322 9.253 0.069 25509 307 1 . 1 1 80 80 ILE N N 80 125.201 125.201 123.701 1.500 25509 308 1 . 1 1 80 80 ILE HA H 80 5.929 5.929 4.270 1.659 25509 309 1 . 1 1 80 80 ILE CA C 80 43.836 43.836 60.304 -16.468 25509 310 1 . 1 1 80 80 ILE H H 80 9.634 9.634 8.177 1.457 25509 311 1 . 1 1 86 86 THR HA H 86 3.629 3.629 3.807 -0.178 25509 312 1 . 1 1 86 86 THR C C 86 175.273 175.273 176.156 -0.883 25509 313 1 . 1 1 86 86 THR CA C 86 60.845 60.845 66.330 -5.485 25509 314 1 . 1 1 87 87 LYS N N 87 121.904 121.904 121.357 0.547 25509 315 1 . 1 1 87 87 LYS HA H 87 3.943 3.943 4.210 -0.267 25509 316 1 . 1 1 87 87 LYS C C 87 178.969 178.969 178.513 0.456 25509 317 1 . 1 1 87 87 LYS CA C 87 59.326 59.326 59.122 0.204 25509 318 1 . 1 1 87 87 LYS H H 87 7.728 7.728 8.150 -0.422 25509 319 1 . 1 1 88 88 CYS N N 88 121.877 121.877 118.701 3.176 25509 320 1 . 1 1 88 88 CYS HA H 88 3.934 3.934 4.374 -0.440 25509 321 1 . 1 1 88 88 CYS C C 88 178.168 178.168 176.860 1.308 25509 322 1 . 1 1 88 88 CYS CA C 88 65.201 65.201 61.970 3.231 25509 323 1 . 1 1 88 88 CYS H H 88 8.717 8.717 7.936 0.781 25509 324 1 . 1 1 89 89 ALA N N 89 120.872 120.872 123.184 -2.312 25509 325 1 . 1 1 89 89 ALA HA H 89 3.889 3.889 4.142 -0.253 25509 326 1 . 1 1 89 89 ALA C C 89 179.782 179.782 179.410 0.372 25509 327 1 . 1 1 89 89 ALA CA C 89 55.300 55.300 55.207 0.093 25509 328 1 . 1 1 89 89 ALA H H 89 9.009 9.009 8.107 0.902 25509 329 1 . 1 1 90 90 ARG N N 90 117.797 117.797 117.329 0.468 25509 330 1 . 1 1 90 90 ARG HA H 90 3.985 3.985 4.044 -0.059 25509 331 1 . 1 1 90 90 ARG C C 90 179.333 179.333 178.482 0.851 25509 332 1 . 1 1 90 90 ARG CA C 90 59.353 59.353 59.250 0.103 25509 333 1 . 1 1 90 90 ARG H H 90 7.912 7.912 7.581 0.331 25509 334 1 . 1 1 91 91 ASP N N 91 121.892 121.892 119.960 1.932 25509 335 1 . 1 1 91 91 ASP HA H 91 4.475 4.475 4.492 -0.017 25509 336 1 . 1 1 91 91 ASP C C 91 180.593 180.593 178.219 2.374 25509 337 1 . 1 1 91 91 ASP CA C 91 57.329 57.329 57.038 0.291 25509 338 1 . 1 1 91 91 ASP H H 91 8.413 8.413 8.172 0.241 25509 339 1 . 1 1 92 92 MET N N 92 121.165 121.165 119.169 1.996 25509 340 1 . 1 1 92 92 MET HA H 92 4.453 4.453 4.251 0.202 25509 341 1 . 1 1 92 92 MET C C 92 177.594 177.594 177.853 -0.259 25509 342 1 . 1 1 92 92 MET CA C 92 56.255 56.255 59.269 -3.014 25509 343 1 . 1 1 92 92 MET H H 92 8.986 8.986 8.073 0.913 25509 344 1 . 1 1 93 93 ALA N N 93 124.315 124.315 120.053 4.262 25509 345 1 . 1 1 93 93 ALA HA H 93 3.818 3.818 4.003 -0.185 25509 346 1 . 1 1 93 93 ALA C C 93 179.351 179.351 179.499 -0.148 25509 347 1 . 1 1 93 93 ALA CA C 93 55.459 55.459 55.070 0.389 25509 348 1 . 1 1 93 93 ALA H H 93 8.090 8.090 8.013 0.077 25509 349 1 . 1 1 94 94 THR N N 94 115.375 115.375 115.959 -0.584 25509 350 1 . 1 1 94 94 THR HA H 94 3.854 3.854 4.099 -0.245 25509 351 1 . 1 1 94 94 THR C C 94 175.971 175.971 176.224 -0.253 25509 352 1 . 1 1 94 94 THR CA C 94 66.140 66.140 66.903 -0.763 25509 353 1 . 1 1 94 94 THR H H 94 7.908 7.908 7.677 0.231 25509 354 1 . 1 1 95 95 PHE N N 95 121.559 121.559 123.060 -1.501 25509 355 1 . 1 1 95 95 PHE HA H 95 4.189 4.189 4.443 -0.254 25509 356 1 . 1 1 95 95 PHE C C 95 178.456 178.456 176.613 1.843 25509 357 1 . 1 1 95 95 PHE CA C 95 61.307 61.307 60.900 0.407 25509 358 1 . 1 1 95 95 PHE H H 95 7.845 7.845 7.910 -0.065 25509 359 1 . 1 1 96 96 LEU N N 96 120.614 120.614 119.989 0.625 25509 360 1 . 1 1 96 96 LEU HA H 96 3.751 3.751 3.546 0.205 25509 361 1 . 1 1 96 96 LEU C C 96 179.846 179.846 178.673 1.173 25509 362 1 . 1 1 96 96 LEU CA C 96 57.121 57.121 57.683 -0.562 25509 363 1 . 1 1 96 96 LEU H H 96 8.493 8.493 8.332 0.161 25509 364 1 . 1 1 97 97 GLN N N 97 118.135 118.135 117.835 0.300 25509 365 1 . 1 1 97 97 GLN HA H 97 4.072 4.072 4.064 0.009 25509 366 1 . 1 1 97 97 GLN C C 97 177.940 177.940 177.797 0.143 25509 367 1 . 1 1 97 97 GLN CA C 97 57.989 57.989 58.388 -0.399 25509 368 1 . 1 1 97 97 GLN H H 97 7.971 7.971 8.265 -0.294 25509 369 1 . 1 1 98 98 GLU N N 98 115.676 115.676 118.128 -2.452 25509 370 1 . 1 1 98 98 GLU HA H 98 4.222 4.222 4.146 0.076 25509 371 1 . 1 1 98 98 GLU C C 98 176.364 176.364 177.671 -1.307 25509 372 1 . 1 1 98 98 GLU CA C 98 56.465 56.465 57.331 -0.866 25509 373 1 . 1 1 98 98 GLU H H 98 7.473 7.473 7.855 -0.382 25509 374 1 . 1 1 99 99 ASN N N 99 121.312 121.312 117.556 3.756 25509 375 1 . 1 1 99 99 ASN HA H 99 4.986 4.986 4.594 0.392 25509 376 1 . 1 1 99 99 ASN C C 99 174.155 174.155 175.962 -1.807 25509 377 1 . 1 1 99 99 ASN CA C 99 51.958 51.958 54.483 -2.525 25509 378 1 . 1 1 99 99 ASN H H 99 7.520 7.520 7.723 -0.203 25509 379 1 . 1 1 100 100 THR N N 100 111.032 111.032 112.440 -1.408 25509 380 1 . 1 1 100 100 THR HA H 100 4.438 4.438 3.834 0.604 25509 381 1 . 1 1 100 100 THR C C 100 174.600 174.600 174.578 0.022 25509 382 1 . 1 1 100 100 THR CA C 100 63.613 63.613 64.672 -1.059 25509 383 1 . 1 1 100 100 THR H H 100 7.985 7.985 8.013 -0.029 25509 384 1 . 1 1 101 101 HIS C C 101 173.419 173.419 173.941 -0.522 25509 385 1 . 1 1 101 101 HIS CA C 101 56.546 56.546 57.037 -0.491 25509 386 1 . 1 1 102 102 VAL N N 102 123.373 123.373 118.878 4.495 25509 387 1 . 1 1 102 102 VAL HA H 102 4.643 4.643 5.087 -0.444 25509 388 1 . 1 1 102 102 VAL C C 102 174.248 174.248 175.005 -0.757 25509 389 1 . 1 1 102 102 VAL CA C 102 61.015 61.015 59.743 1.272 25509 390 1 . 1 1 102 102 VAL H H 102 7.561 7.561 7.433 0.128 25509 391 1 . 1 1 103 103 THR N N 103 119.261 119.261 120.083 -0.822 25509 392 1 . 1 1 103 103 THR HA H 103 4.702 4.702 4.950 -0.248 25509 393 1 . 1 1 103 103 THR C C 103 173.198 173.198 173.709 -0.511 25509 394 1 . 1 1 103 103 THR CA C 103 59.956 59.956 59.988 -0.032 25509 395 1 . 1 1 103 103 THR H H 103 8.370 8.370 8.785 -0.415 25509 396 1 . 1 1 104 104 LEU N N 104 128.085 128.085 124.841 3.244 25509 397 1 . 1 1 104 104 LEU HA H 104 5.123 5.123 4.884 0.239 25509 398 1 . 1 1 104 104 LEU C C 104 175.009 175.009 175.579 -0.570 25509 399 1 . 1 1 104 104 LEU CA C 104 53.231 53.231 53.647 -0.416 25509 400 1 . 1 1 104 104 LEU H H 104 9.373 9.373 8.402 0.971 25509 401 1 . 1 1 105 105 THR N N 105 126.064 126.064 120.172 5.892 25509 402 1 . 1 1 105 105 THR HA H 105 4.560 4.560 4.853 -0.293 25509 403 1 . 1 1 105 105 THR C C 105 171.873 171.873 174.395 -2.522 25509 404 1 . 1 1 105 105 THR CA C 105 61.546 61.546 61.277 0.269 25509 405 1 . 1 1 105 105 THR H H 105 8.561 8.561 9.002 -0.441 25509 406 1 . 1 1 106 106 ILE N N 106 125.679 125.679 125.279 0.400 25509 407 1 . 1 1 106 106 ILE HA H 106 4.207 4.207 4.721 -0.514 25509 408 1 . 1 1 106 106 ILE C C 106 172.536 172.536 174.781 -2.245 25509 409 1 . 1 1 106 106 ILE CA C 106 59.887 59.887 62.208 -2.321 25509 410 1 . 1 1 106 106 ILE H H 106 9.190 9.190 8.406 0.784 25509 411 1 . 1 1 107 107 PHE N N 107 126.337 126.337 124.795 1.542 25509 412 1 . 1 1 107 107 PHE HA H 107 5.256 5.256 5.636 -0.380 25509 413 1 . 1 1 107 107 PHE C C 107 175.694 175.694 175.300 0.394 25509 414 1 . 1 1 107 107 PHE CA C 107 56.342 56.342 55.931 0.411 25509 415 1 . 1 1 107 107 PHE H H 107 9.135 9.135 9.114 0.021 25509 416 1 . 1 1 108 108 VAL N N 108 118.789 118.789 121.516 -2.727 25509 417 1 . 1 1 108 108 VAL HA H 108 5.020 5.020 4.563 0.457 25509 418 1 . 1 1 108 108 VAL C C 108 176.539 176.539 174.666 1.873 25509 419 1 . 1 1 108 108 VAL CA C 108 58.498 58.498 60.787 -2.289 25509 420 1 . 1 1 108 108 VAL H H 108 8.936 8.936 8.258 0.678 25509 421 1 . 1 1 109 109 ALA N N 109 129.108 129.108 129.611 -0.503 25509 422 1 . 1 1 109 109 ALA HA H 109 4.524 4.524 4.837 -0.313 25509 423 1 . 1 1 109 109 ALA C C 109 175.933 175.933 177.686 -1.753 25509 424 1 . 1 1 109 109 ALA CA C 109 55.038 55.038 52.334 2.703 25509 425 1 . 1 1 109 109 ALA H H 109 8.509 8.509 8.638 -0.129 25509 426 1 . 1 1 110 110 ARG N N 110 110.165 110.165 119.682 -9.517 25509 427 1 . 1 1 110 110 ARG HA H 110 4.505 4.505 4.216 0.289 25509 428 1 . 1 1 110 110 ARG C C 110 175.120 175.120 176.053 -0.933 25509 429 1 . 1 1 110 110 ARG CA C 110 54.555 54.555 56.927 -2.372 25509 430 1 . 1 1 110 110 ARG H H 110 6.677 6.677 7.919 -1.242 25509 431 1 . 1 1 111 111 LEU N N 111 119.767 119.767 121.499 -1.732 25509 432 1 . 1 1 111 111 LEU HA H 111 4.515 4.515 4.402 0.113 25509 433 1 . 1 1 111 111 LEU CA C 111 53.198 53.198 55.255 -2.057 25509 434 1 . 1 1 111 111 LEU H H 111 7.031 7.031 8.332 -1.301 25509 435 1 . 1 1 117 117 PRO C C 117 178.666 178.666 176.571 2.095 25509 436 1 . 1 1 117 117 PRO CA C 117 64.996 64.996 63.980 1.016 25509 437 1 . 1 1 118 118 ASP N N 118 118.659 118.659 119.190 -0.531 25509 438 1 . 1 1 118 118 ASP HA H 118 4.434 4.434 4.766 -0.332 25509 439 1 . 1 1 118 118 ASP C C 118 178.263 178.263 177.122 1.141 25509 440 1 . 1 1 118 118 ASP CA C 118 56.740 56.740 55.810 0.930 25509 441 1 . 1 1 118 118 ASP H H 118 8.215 8.215 8.409 -0.194 25509 442 1 . 1 1 119 119 TYR N N 119 122.818 122.818 121.218 1.600 25509 443 1 . 1 1 119 119 TYR HA H 119 4.204 4.204 4.120 0.084 25509 444 1 . 1 1 119 119 TYR C C 119 177.538 177.538 177.235 0.303 25509 445 1 . 1 1 119 119 TYR CA C 119 60.942 60.942 61.525 -0.583 25509 446 1 . 1 1 119 119 TYR H H 119 7.994 7.994 7.872 0.123 25509 447 1 . 1 1 120 120 GLN N N 120 117.143 117.143 117.767 -0.624 25509 448 1 . 1 1 120 120 GLN HA H 120 3.508 3.508 3.801 -0.293 25509 449 1 . 1 1 120 120 GLN C C 120 177.702 177.702 178.208 -0.506 25509 450 1 . 1 1 120 120 GLN CA C 120 58.986 58.986 59.346 -0.360 25509 451 1 . 1 1 120 120 GLN H H 120 7.898 7.898 8.491 -0.594 25509 452 1 . 1 1 121 121 GLU N N 121 117.707 117.707 118.969 -1.262 25509 453 1 . 1 1 121 121 GLU HA H 121 3.891 3.891 4.027 -0.136 25509 454 1 . 1 1 121 121 GLU C C 121 178.815 178.815 178.539 0.275 25509 455 1 . 1 1 121 121 GLU CA C 121 58.603 58.603 58.808 -0.205 25509 456 1 . 1 1 121 121 GLU H H 121 7.829 7.829 7.984 -0.155 25509 457 1 . 1 1 122 122 ALA N N 122 123.710 123.710 122.553 1.157 25509 458 1 . 1 1 122 122 ALA HA H 122 3.900 3.900 4.088 -0.188 25509 459 1 . 1 1 122 122 ALA C C 122 180.296 180.296 179.622 0.674 25509 460 1 . 1 1 122 122 ALA CA C 122 54.949 54.949 54.695 0.254 25509 461 1 . 1 1 122 122 ALA H H 122 7.881 7.881 7.844 0.037 25509 462 1 . 1 1 123 123 LEU N N 123 119.307 119.307 118.226 1.081 25509 463 1 . 1 1 123 123 LEU HA H 123 3.791 3.791 3.880 -0.088 25509 464 1 . 1 1 123 123 LEU C C 123 179.075 179.075 178.847 0.229 25509 465 1 . 1 1 123 123 LEU CA C 123 57.537 57.537 57.602 -0.065 25509 466 1 . 1 1 123 123 LEU H H 123 8.073 8.073 7.954 0.119 25509 467 1 . 1 1 124 124 ARG N N 124 118.146 118.146 118.271 -0.125 25509 468 1 . 1 1 124 124 ARG HA H 124 3.832 3.832 3.934 -0.102 25509 469 1 . 1 1 124 124 ARG C C 124 179.745 179.745 178.558 1.187 25509 470 1 . 1 1 124 124 ARG CA C 124 60.155 60.155 59.050 1.105 25509 471 1 . 1 1 124 124 ARG H H 124 8.074 8.074 7.693 0.381 25509 472 1 . 1 1 125 125 SER N N 125 117.399 117.399 115.711 1.688 25509 473 1 . 1 1 125 125 SER HA H 125 4.151 4.151 4.249 -0.098 25509 474 1 . 1 1 125 125 SER C C 125 176.389 176.389 176.548 -0.159 25509 475 1 . 1 1 125 125 SER CA C 125 54.752 54.752 61.654 -6.902 25509 476 1 . 1 1 125 125 SER H H 125 8.471 8.471 7.644 0.827 25509 477 1 . 1 1 126 126 LEU N N 126 125.924 125.924 122.277 3.647 25509 478 1 . 1 1 126 126 LEU HA H 126 3.970 3.970 4.034 -0.064 25509 479 1 . 1 1 126 126 LEU C C 126 177.721 177.721 178.226 -0.505 25509 480 1 . 1 1 126 126 LEU CA C 126 57.423 57.423 57.846 -0.423 25509 481 1 . 1 1 126 126 LEU H H 126 7.621 7.621 7.661 -0.040 25509 482 1 . 1 1 127 127 ALA N N 127 122.932 122.932 120.452 2.480 25509 483 1 . 1 1 127 127 ALA HA H 127 4.676 4.676 4.241 0.436 25509 484 1 . 1 1 127 127 ALA C C 127 182.614 182.614 179.731 2.883 25509 485 1 . 1 1 127 127 ALA CA C 127 53.974 53.974 54.407 -0.433 25509 486 1 . 1 1 127 127 ALA H H 127 7.973 7.973 7.912 0.061 25509 487 1 . 1 1 128 128 GLN N N 128 120.408 120.408 118.262 2.146 25509 488 1 . 1 1 128 128 GLN HA H 128 4.029 4.029 4.068 -0.039 25509 489 1 . 1 1 128 128 GLN C C 128 177.613 177.613 177.173 0.440 25509 490 1 . 1 1 128 128 GLN CA C 128 58.051 58.051 58.058 -0.007 25509 491 1 . 1 1 128 128 GLN H H 128 8.690 8.690 7.902 0.788 25509 492 1 . 1 1 129 129 ALA N N 129 120.391 120.391 120.369 0.022 25509 493 1 . 1 1 129 129 ALA HA H 129 4.283 4.283 4.225 0.058 25509 494 1 . 1 1 129 129 ALA C C 129 177.019 177.019 177.411 -0.392 25509 495 1 . 1 1 129 129 ALA CA C 129 52.171 52.171 52.972 -0.800 25509 496 1 . 1 1 129 129 ALA H H 129 7.542 7.542 7.460 0.082 25509 497 1 . 1 1 130 130 GLY N N 130 104.533 104.533 103.217 1.316 25509 498 1 . 1 1 130 130 GLY C C 130 175.291 175.291 172.452 2.839 25509 499 1 . 1 1 130 130 GLY CA C 130 44.275 44.275 44.615 -0.340 25509 500 1 . 1 1 130 130 GLY H H 130 7.760 7.760 7.613 0.147 25509 501 1 . 1 1 131 131 ALA N N 131 124.759 124.759 122.243 2.516 25509 502 1 . 1 1 131 131 ALA HA H 131 4.587 4.587 5.503 -0.916 25509 503 1 . 1 1 131 131 ALA C C 131 177.045 177.045 175.726 1.319 25509 504 1 . 1 1 131 131 ALA CA C 131 51.614 51.614 50.255 1.359 25509 505 1 . 1 1 131 131 ALA H H 131 7.543 7.543 7.615 -0.072 25509 506 1 . 1 1 132 132 THR N N 132 120.565 120.565 116.284 4.281 25509 507 1 . 1 1 132 132 THR HA H 132 4.293 4.293 4.578 -0.285 25509 508 1 . 1 1 132 132 THR C C 132 172.940 172.940 172.944 -0.004 25509 509 1 . 1 1 132 132 THR CA C 132 62.285 62.285 61.912 0.373 25509 510 1 . 1 1 132 132 THR H H 132 7.983 7.983 8.780 -0.797 25509 511 1 . 1 1 133 133 ILE N N 133 128.874 128.874 127.178 1.696 25509 512 1 . 1 1 133 133 ILE HA H 133 4.705 4.705 4.709 -0.004 25509 513 1 . 1 1 133 133 ILE C C 133 173.707 173.707 174.804 -1.097 25509 514 1 . 1 1 133 133 ILE CA C 133 59.898 59.898 60.071 -0.173 25509 515 1 . 1 1 133 133 ILE H H 133 8.641 8.641 8.523 0.118 25509 516 1 . 1 1 134 134 LYS N N 134 125.904 125.904 125.918 -0.014 25509 517 1 . 1 1 134 134 LYS HA H 134 4.490 4.490 4.596 -0.106 25509 518 1 . 1 1 134 134 LYS C C 134 174.736 174.736 174.711 0.025 25509 519 1 . 1 1 134 134 LYS CA C 134 53.906 53.906 53.586 0.320 25509 520 1 . 1 1 134 134 LYS H H 134 8.878 8.878 8.125 0.753 25509 521 1 . 1 1 135 135 ILE N N 135 121.444 121.444 122.381 -0.937 25509 522 1 . 1 1 135 135 ILE HA H 135 4.644 4.644 4.307 0.337 25509 523 1 . 1 1 135 135 ILE C C 135 177.563 177.563 177.498 0.065 25509 524 1 . 1 1 135 135 ILE CA C 135 56.834 56.834 60.718 -3.884 25509 525 1 . 1 1 135 135 ILE H H 135 8.601 8.601 8.604 -0.003 25509 526 1 . 1 1 136 136 MET N N 136 124.557 124.557 123.351 1.206 25509 527 1 . 1 1 136 136 MET HA H 136 3.741 3.741 4.579 -0.838 25509 528 1 . 1 1 136 136 MET C C 136 174.070 174.070 174.575 -0.505 25509 529 1 . 1 1 136 136 MET CA C 136 58.298 58.298 56.883 1.415 25509 530 1 . 1 1 136 136 MET H H 136 8.550 8.550 8.267 0.283 25509 531 1 . 1 1 137 137 ASN N N 137 126.678 126.678 121.496 5.182 25509 532 1 . 1 1 137 137 ASN HA H 137 5.008 5.008 5.128 -0.120 25509 533 1 . 1 1 137 137 ASN C C 137 174.733 174.733 176.179 -1.446 25509 534 1 . 1 1 137 137 ASN CA C 137 50.894 50.894 52.072 -1.178 25509 535 1 . 1 1 137 137 ASN H H 137 9.480 9.480 8.202 1.278 25509 536 1 . 1 1 138 138 TYR N N 138 123.587 123.587 123.013 0.574 25509 537 1 . 1 1 138 138 TYR HA H 138 3.841 3.841 4.499 -0.658 25509 538 1 . 1 1 138 138 TYR C C 138 176.154 176.154 176.710 -0.556 25509 539 1 . 1 1 138 138 TYR CA C 138 63.811 63.811 62.332 1.479 25509 540 1 . 1 1 138 138 TYR H H 138 9.914 9.914 8.939 0.975 25509 541 1 . 1 1 139 139 ASP N N 139 116.024 116.024 117.414 -1.390 25509 542 1 . 1 1 139 139 ASP HA H 139 4.116 4.116 4.187 -0.071 25509 543 1 . 1 1 139 139 ASP C C 139 179.067 179.067 177.715 1.352 25509 544 1 . 1 1 139 139 ASP CA C 139 57.491 57.491 57.303 0.188 25509 545 1 . 1 1 139 139 ASP H H 139 8.976 8.976 8.710 0.266 25509 546 1 . 1 1 140 140 GLU N N 140 118.087 118.087 120.239 -2.152 25509 547 1 . 1 1 140 140 GLU HA H 140 3.826 3.826 4.001 -0.175 25509 548 1 . 1 1 140 140 GLU C C 140 178.692 178.692 178.014 0.678 25509 549 1 . 1 1 140 140 GLU CA C 140 60.600 60.600 58.460 2.140 25509 550 1 . 1 1 140 140 GLU H H 140 7.540 7.540 8.119 -0.579 25509 551 1 . 1 1 141 141 PHE N N 141 119.608 119.608 120.160 -0.551 25509 552 1 . 1 1 141 141 PHE HA H 141 3.788 3.788 4.337 -0.549 25509 553 1 . 1 1 141 141 PHE C C 141 176.881 176.881 178.159 -1.277 25509 554 1 . 1 1 141 141 PHE CA C 141 62.703 62.703 61.692 1.011 25509 555 1 . 1 1 141 141 PHE H H 141 8.032 8.032 7.584 0.448 25509 556 1 . 1 1 142 142 GLN N N 142 118.759 118.759 119.485 -0.726 25509 557 1 . 1 1 142 142 GLN HA H 142 4.021 4.021 4.053 -0.032 25509 558 1 . 1 1 142 142 GLN C C 142 177.945 177.945 178.051 -0.106 25509 559 1 . 1 1 142 142 GLN CA C 142 58.779 58.779 59.202 -0.423 25509 560 1 . 1 1 142 142 GLN H H 142 8.223 8.223 8.518 -0.295 25509 561 1 . 1 1 143 143 HIS N N 143 120.774 120.774 120.070 0.704 25509 562 1 . 1 1 143 143 HIS HA H 143 3.978 3.978 4.425 -0.447 25509 563 1 . 1 1 143 143 HIS C C 143 177.147 177.147 177.400 -0.253 25509 564 1 . 1 1 143 143 HIS CA C 143 59.367 59.367 59.524 -0.157 25509 565 1 . 1 1 143 143 HIS H H 143 7.924 7.924 7.659 0.265 25509 566 1 . 1 1 144 144 CYS N N 144 117.600 117.600 119.440 -1.840 25509 567 1 . 1 1 144 144 CYS HA H 144 3.838 3.838 4.121 -0.283 25509 568 1 . 1 1 144 144 CYS C C 144 176.233 176.233 176.662 -0.429 25509 569 1 . 1 1 144 144 CYS CA C 144 62.852 62.852 63.449 -0.597 25509 570 1 . 1 1 144 144 CYS H H 144 7.892 7.892 8.395 -0.503 25509 571 1 . 1 1 145 145 TRP N N 145 120.806 120.806 121.812 -1.006 25509 572 1 . 1 1 145 145 TRP HA H 145 3.269 3.269 3.881 -0.612 25509 573 1 . 1 1 145 145 TRP C C 145 177.085 177.085 177.367 -0.282 25509 574 1 . 1 1 145 145 TRP CA C 145 59.453 59.453 60.671 -1.218 25509 575 1 . 1 1 145 145 TRP H H 145 8.201 8.201 8.872 -0.671 25509 576 1 . 1 1 146 146 SER N N 146 111.555 111.555 113.653 -2.098 25509 577 1 . 1 1 146 146 SER C C 146 176.199 176.199 176.169 0.030 25509 578 1 . 1 1 146 146 SER CA C 146 60.827 60.827 61.080 -0.254 25509 579 1 . 1 1 146 146 SER H H 146 8.032 8.032 7.736 0.296 25509 580 1 . 1 1 147 147 LYS N N 147 115.563 115.563 121.348 -5.784 25509 581 1 . 1 1 147 147 LYS HA H 147 3.974 3.974 4.135 -0.161 25509 582 1 . 1 1 147 147 LYS C C 147 177.448 177.448 178.227 -0.779 25509 583 1 . 1 1 147 147 LYS CA C 147 55.464 55.464 57.743 -2.279 25509 584 1 . 1 1 147 147 LYS H H 147 7.684 7.684 7.691 -0.007 25509 585 1 . 1 1 148 148 PHE N N 148 113.648 113.648 116.761 -3.113 25509 586 1 . 1 1 148 148 PHE HA H 148 4.477 4.477 4.312 0.165 25509 587 1 . 1 1 148 148 PHE C C 148 174.293 174.293 175.939 -1.646 25509 588 1 . 1 1 148 148 PHE CA C 148 58.180 58.180 59.315 -1.135 25509 589 1 . 1 1 148 148 PHE H H 148 8.134 8.134 8.201 -0.067 25509 590 1 . 1 1 149 149 VAL N N 149 119.139 119.139 116.169 2.970 25509 591 1 . 1 1 149 149 VAL HA H 149 4.109 4.109 3.757 0.352 25509 592 1 . 1 1 149 149 VAL C C 149 175.690 175.690 175.309 0.382 25509 593 1 . 1 1 149 149 VAL CA C 149 60.309 60.309 61.293 -0.984 25509 594 1 . 1 1 149 149 VAL H H 149 6.787 6.787 7.190 -0.403 25509 595 1 . 1 1 150 150 TYR N N 150 129.042 129.042 121.610 7.432 25509 596 1 . 1 1 150 150 TYR HA H 150 4.564 4.564 4.286 0.277 25509 597 1 . 1 1 150 150 TYR C C 150 173.826 173.826 176.924 -3.098 25509 598 1 . 1 1 150 150 TYR CA C 150 55.580 55.580 59.890 -4.310 25509 599 1 . 1 1 150 150 TYR H H 150 8.552 8.552 8.191 0.361 25509 600 1 . 1 1 151 151 SER N N 151 119.931 119.931 114.775 5.156 25509 601 1 . 1 1 151 151 SER HA H 151 4.585 4.585 4.065 0.520 25509 602 1 . 1 1 151 151 SER C C 151 176.209 176.209 174.145 2.065 25509 603 1 . 1 1 151 151 SER CA C 151 57.497 57.497 59.505 -2.008 25509 604 1 . 1 1 151 151 SER H H 151 7.787 7.787 8.192 -0.405 25509 605 1 . 1 1 152 152 GLN N N 152 120.381 120.381 116.747 3.634 25509 606 1 . 1 1 152 152 GLN HA H 152 3.715 3.715 4.031 -0.316 25509 607 1 . 1 1 152 152 GLN C C 152 175.787 175.787 175.472 0.315 25509 608 1 . 1 1 152 152 GLN CA C 152 56.476 56.476 56.713 -0.237 25509 609 1 . 1 1 152 152 GLN H H 152 8.386 8.386 8.178 0.208 25509 610 1 . 1 1 153 153 GLY N N 153 106.086 106.086 105.481 0.605 25509 611 1 . 1 1 153 153 GLY C C 153 174.309 174.309 173.830 0.479 25509 612 1 . 1 1 153 153 GLY CA C 153 44.902 44.902 45.023 -0.121 25509 613 1 . 1 1 153 153 GLY H H 153 8.047 8.047 8.204 -0.157 25509 614 1 . 1 1 154 154 ALA N N 154 125.790 125.790 123.147 2.643 25509 615 1 . 1 1 154 154 ALA HA H 154 4.582 4.582 4.617 -0.035 25509 616 1 . 1 1 154 154 ALA C C 154 176.022 176.022 175.903 0.119 25509 617 1 . 1 1 154 154 ALA CA C 154 49.894 49.894 49.970 -0.076 25509 618 1 . 1 1 154 154 ALA H H 154 7.562 7.562 7.820 -0.258 25509 619 1 . 1 1 155 155 PRO C C 155 175.578 175.578 175.319 0.260 25509 620 1 . 1 1 155 155 PRO CA C 155 61.661 61.661 62.456 -0.795 25509 621 1 . 1 1 156 156 PHE N N 156 121.116 121.116 124.937 -3.822 25509 622 1 . 1 1 156 156 PHE HA H 156 2.346 2.346 4.053 -1.707 25509 623 1 . 1 1 156 156 PHE C C 156 174.254 174.254 174.125 0.129 25509 624 1 . 1 1 156 156 PHE CA C 156 56.414 56.414 57.276 -0.862 25509 625 1 . 1 1 156 156 PHE H H 156 8.288 8.288 8.019 0.269 25509 626 1 . 1 1 157 157 GLN N N 157 129.600 129.600 125.950 3.650 25509 627 1 . 1 1 157 157 GLN HA H 157 4.306 4.306 4.684 -0.378 25509 628 1 . 1 1 157 157 GLN C C 157 171.628 171.628 173.766 -2.138 25509 629 1 . 1 1 157 157 GLN CA C 157 50.515 50.515 52.443 -1.928 25509 630 1 . 1 1 157 157 GLN H H 157 7.205 7.205 7.921 -0.716 25509 631 1 . 1 1 158 158 PRO C C 158 175.224 175.224 175.297 -0.073 25509 632 1 . 1 1 158 158 PRO CA C 158 61.723 61.723 62.461 -0.738 25509 633 1 . 1 1 159 159 TRP N N 159 117.795 117.795 122.205 -4.410 25509 634 1 . 1 1 159 159 TRP HA H 159 4.698 4.698 4.803 -0.105 25509 635 1 . 1 1 159 159 TRP C C 159 175.906 175.906 176.479 -0.573 25509 636 1 . 1 1 159 159 TRP CA C 159 54.528 54.528 56.865 -2.337 25509 637 1 . 1 1 159 159 TRP H H 159 5.628 5.628 7.378 -1.750 25509 638 1 . 1 1 160 160 ASP N N 160 122.363 122.363 123.020 -0.657 25509 639 1 . 1 1 160 160 ASP HA H 160 4.323 4.323 4.615 -0.292 25509 640 1 . 1 1 160 160 ASP C C 160 177.598 177.598 176.504 1.094 25509 641 1 . 1 1 160 160 ASP CA C 160 55.395 55.395 54.451 0.944 25509 642 1 . 1 1 160 160 ASP H H 160 8.766 8.766 8.552 0.214 25509 643 1 . 1 1 161 161 GLY N N 161 111.982 111.982 107.859 4.123 25509 644 1 . 1 1 161 161 GLY C C 161 173.833 173.833 174.993 -1.160 25509 645 1 . 1 1 161 161 GLY CA C 161 45.382 45.382 45.221 0.161 25509 646 1 . 1 1 161 161 GLY H H 161 8.887 8.887 8.140 0.747 25509 647 1 . 1 1 162 162 LEU N N 162 121.971 121.971 121.421 0.550 25509 648 1 . 1 1 162 162 LEU HA H 162 4.272 4.272 4.214 0.058 25509 649 1 . 1 1 162 162 LEU C C 162 179.345 179.345 177.456 1.889 25509 650 1 . 1 1 162 162 LEU CA C 162 60.554 60.554 57.929 2.625 25509 651 1 . 1 1 162 162 LEU H H 162 7.078 7.078 8.236 -1.158 25509 652 1 . 1 1 163 163 ASP N N 163 118.366 118.366 118.002 0.364 25509 653 1 . 1 1 163 163 ASP HA H 163 4.459 4.459 4.465 -0.006 25509 654 1 . 1 1 163 163 ASP C C 163 178.182 178.182 178.484 -0.302 25509 655 1 . 1 1 163 163 ASP CA C 163 57.108 57.108 57.511 -0.403 25509 656 1 . 1 1 163 163 ASP H H 163 8.679 8.679 8.571 0.108 25509 657 1 . 1 1 164 164 GLU N N 164 121.998 121.998 118.910 3.088 25509 658 1 . 1 1 164 164 GLU HA H 164 3.935 3.935 4.211 -0.276 25509 659 1 . 1 1 164 164 GLU C C 164 180.355 180.355 178.992 1.363 25509 660 1 . 1 1 164 164 GLU CA C 164 59.614 59.614 59.237 0.377 25509 661 1 . 1 1 164 164 GLU H H 164 8.374 8.374 8.591 -0.217 25509 662 1 . 1 1 165 165 HIS N N 165 120.268 120.268 118.845 1.423 25509 663 1 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.539 0.063 25509 664 1 . 1 1 165 165 HIS C C 165 178.924 178.924 177.755 1.169 25509 665 1 . 1 1 165 165 HIS CA C 165 59.393 59.393 59.082 0.311 25509 666 1 . 1 1 165 165 HIS H H 165 8.707 8.707 8.472 0.235 25509 667 1 . 1 1 166 166 SER N N 166 118.252 118.252 116.495 1.757 25509 668 1 . 1 1 166 166 SER HA H 166 4.400 4.400 4.394 0.006 25509 669 1 . 1 1 166 166 SER C C 166 177.421 177.421 176.588 0.833 25509 670 1 . 1 1 166 166 SER CA C 166 63.202 63.202 62.291 0.911 25509 671 1 . 1 1 166 166 SER H H 166 8.649 8.649 8.643 0.006 25509 672 1 . 1 1 167 167 GLN N N 167 121.647 121.647 119.798 1.849 25509 673 1 . 1 1 167 167 GLN HA H 167 4.176 4.176 4.229 -0.053 25509 674 1 . 1 1 167 167 GLN C C 167 179.643 179.643 177.894 1.749 25509 675 1 . 1 1 167 167 GLN CA C 167 58.782 58.782 58.272 0.511 25509 676 1 . 1 1 167 167 GLN H H 167 8.645 8.645 8.192 0.453 25509 677 1 . 1 1 168 168 ALA N N 168 124.242 124.242 123.243 0.999 25509 678 1 . 1 1 168 168 ALA HA H 168 4.249 4.249 4.114 0.135 25509 679 1 . 1 1 168 168 ALA C C 168 181.949 181.949 179.537 2.412 25509 680 1 . 1 1 168 168 ALA CA C 168 54.880 54.880 54.759 0.121 25509 681 1 . 1 1 168 168 ALA H H 168 8.092 8.092 7.649 0.443 25509 682 1 . 1 1 169 169 LEU N N 169 120.509 120.509 118.286 2.223 25509 683 1 . 1 1 169 169 LEU HA H 169 4.087 4.087 4.086 0.001 25509 684 1 . 1 1 169 169 LEU C C 169 179.159 179.159 178.817 0.342 25509 685 1 . 1 1 169 169 LEU CA C 169 57.603 57.603 57.185 0.418 25509 686 1 . 1 1 169 169 LEU H H 169 8.526 8.526 8.177 0.349 25509 687 1 . 1 1 170 170 SER N N 170 117.410 117.410 115.189 2.221 25509 688 1 . 1 1 170 170 SER HA H 170 4.128 4.128 4.159 -0.031 25509 689 1 . 1 1 170 170 SER C C 170 178.370 178.370 176.941 1.429 25509 690 1 . 1 1 170 170 SER CA C 170 62.240 62.240 62.375 -0.135 25509 691 1 . 1 1 170 170 SER H H 170 8.853 8.853 8.258 0.595 25509 692 1 . 1 1 171 171 GLY N N 171 111.058 111.058 108.371 2.687 25509 693 1 . 1 1 171 171 GLY C C 171 176.376 176.376 175.906 0.471 25509 694 1 . 1 1 171 171 GLY CA C 171 46.673 46.673 46.815 -0.142 25509 695 1 . 1 1 171 171 GLY H H 171 8.175 8.175 8.026 0.149 25509 696 1 . 1 1 172 172 ARG N N 172 123.131 123.131 120.933 2.198 25509 697 1 . 1 1 172 172 ARG HA H 172 4.191 4.191 4.204 -0.013 25509 698 1 . 1 1 172 172 ARG C C 172 178.807 178.807 178.556 0.251 25509 699 1 . 1 1 172 172 ARG CA C 172 58.189 58.189 57.657 0.532 25509 700 1 . 1 1 172 172 ARG H H 172 7.578 7.578 7.434 0.144 25509 701 1 . 1 1 173 173 LEU N N 173 120.594 120.594 120.399 0.195 25509 702 1 . 1 1 173 173 LEU HA H 173 3.992 3.992 4.218 -0.226 25509 703 1 . 1 1 173 173 LEU C C 173 178.396 178.396 178.309 0.087 25509 704 1 . 1 1 173 173 LEU CA C 173 57.461 57.461 58.208 -0.747 25509 705 1 . 1 1 173 173 LEU H H 173 8.813 8.813 7.812 1.001 25509 706 1 . 1 1 174 174 GLY N N 174 105.456 105.456 106.245 -0.789 25509 707 1 . 1 1 174 174 GLY C C 174 176.170 176.170 176.018 0.152 25509 708 1 . 1 1 174 174 GLY CA C 174 46.641 46.641 46.696 -0.055 25509 709 1 . 1 1 174 174 GLY H H 174 8.221 8.221 7.826 0.395 25509 710 1 . 1 1 175 175 GLU N N 175 120.171 120.171 121.817 -1.647 25509 711 1 . 1 1 175 175 GLU HA H 175 4.080 4.080 4.136 -0.056 25509 712 1 . 1 1 175 175 GLU C C 175 179.100 179.100 178.956 0.144 25509 713 1 . 1 1 175 175 GLU CA C 175 58.450 58.450 58.460 -0.011 25509 714 1 . 1 1 175 175 GLU H H 175 7.478 7.478 7.655 -0.177 25509 715 1 . 1 1 176 176 ILE N N 176 119.642 119.642 119.838 -0.196 25509 716 1 . 1 1 176 176 ILE HA H 176 3.680 3.680 3.829 -0.149 25509 717 1 . 1 1 176 176 ILE C C 176 177.560 177.560 177.795 -0.235 25509 718 1 . 1 1 176 176 ILE CA C 176 64.476 64.476 65.433 -0.957 25509 719 1 . 1 1 176 176 ILE H H 176 7.755 7.755 7.621 0.134 25509 720 1 . 1 1 177 177 LEU N N 177 116.019 116.019 117.648 -1.629 25509 721 1 . 1 1 177 177 LEU HA H 177 4.091 4.091 4.303 -0.212 25509 722 1 . 1 1 177 177 LEU C C 177 177.520 177.520 177.686 -0.166 25509 723 1 . 1 1 177 177 LEU CA C 177 55.252 55.252 56.830 -1.578 25509 724 1 . 1 1 177 177 LEU H H 177 8.067 8.067 7.429 0.638 25509 725 1 . 1 1 178 178 ARG N N 178 118.755 118.755 118.143 0.612 25509 726 1 . 1 1 178 178 ARG HA H 178 4.139 4.139 4.235 -0.096 25509 727 1 . 1 1 178 178 ARG C C 178 175.953 175.953 177.093 -1.140 25509 728 1 . 1 1 178 178 ARG CA C 178 56.683 56.683 57.541 -0.858 25509 729 1 . 1 1 178 178 ARG H H 178 7.566 7.566 7.639 -0.073 25509 730 1 . 1 1 179 179 HIS N N 179 120.648 120.648 118.747 1.901 25509 731 1 . 1 1 179 179 HIS HA H 179 4.612 4.612 4.623 -0.011 25509 732 1 . 1 1 179 179 HIS C C 179 174.365 174.365 174.436 -0.071 25509 733 1 . 1 1 179 179 HIS CA C 179 55.781 55.781 56.381 -0.600 25509 734 1 . 1 1 179 179 HIS H H 179 8.140 8.140 8.195 -0.055 25509 stop_ save_