data_18487 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18487 _Entry.PDB_ID 2LTL 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 18487 _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 10 10 HIS HA H 10 4.680 4.680 4.655 0.025 18487 2 1 1 . 1 1 11 11 MET N N 11 120.918 120.918 124.060 -3.142 18487 3 1 1 . 1 1 11 11 MET HA H 11 4.435 4.435 4.880 -0.445 18487 4 1 1 . 1 1 11 11 MET CA C 11 55.736 55.736 54.868 0.868 18487 5 1 1 . 1 1 11 11 MET CB C 11 32.501 32.501 31.178 1.323 18487 6 1 1 . 1 1 11 11 MET H H 11 8.289 8.289 8.730 -0.441 18487 7 1 1 . 1 1 12 12 ASN N N 12 120.356 120.356 123.047 -2.691 18487 8 1 1 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.978 -0.220 18487 9 1 1 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.456 1.032 18487 10 1 1 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.551 -0.975 18487 11 1 1 . 1 1 12 12 ASN H H 12 8.583 8.583 8.712 -0.129 18487 12 1 1 . 1 1 13 13 SER N N 13 116.582 116.582 113.611 2.971 18487 13 1 1 . 1 1 13 13 SER HA H 13 4.378 4.378 4.442 -0.064 18487 14 1 1 . 1 1 13 13 SER CA C 13 58.842 58.842 58.439 0.403 18487 15 1 1 . 1 1 13 13 SER CB C 13 63.403 63.403 63.504 -0.101 18487 16 1 1 . 1 1 13 13 SER H H 13 8.319 8.319 8.454 -0.135 18487 17 1 1 . 1 1 14 14 GLN N N 14 121.369 121.369 121.348 0.021 18487 18 1 1 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.430 -0.112 18487 19 1 1 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.052 1.047 18487 20 1 1 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.932 0.012 18487 21 1 1 . 1 1 14 14 GLN H H 14 8.365 8.365 7.807 0.558 18487 22 1 1 . 1 1 15 15 ARG N N 15 121.565 121.565 123.488 -1.923 18487 23 1 1 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.201 0.113 18487 24 1 1 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.458 -0.570 18487 25 1 1 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.172 0.255 18487 26 1 1 . 1 1 15 15 ARG H H 15 8.084 8.084 8.575 -0.491 18487 27 1 1 . 1 1 16 16 LEU N N 16 123.810 123.810 116.087 7.723 18487 28 1 1 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.547 -0.204 18487 29 1 1 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.444 1.196 18487 30 1 1 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.131 -2.069 18487 31 1 1 . 1 1 16 16 LEU H H 16 8.254 8.254 7.304 0.950 18487 32 1 1 . 1 1 17 17 ILE N N 17 122.996 122.996 120.853 2.143 18487 33 1 1 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.437 -0.283 18487 34 1 1 . 1 1 17 17 ILE CA C 17 60.214 60.214 59.393 0.821 18487 35 1 1 . 1 1 17 17 ILE CB C 17 38.784 38.784 39.564 -0.780 18487 36 1 1 . 1 1 17 17 ILE H H 17 8.006 8.006 8.084 -0.078 18487 37 1 1 . 1 1 18 18 HIS N N 18 126.123 126.123 127.423 -1.300 18487 38 1 1 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.483 0.362 18487 39 1 1 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.839 -1.634 18487 40 1 1 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.276 -0.079 18487 41 1 1 . 1 1 18 18 HIS H H 18 9.025 9.025 8.191 0.834 18487 42 1 1 . 1 1 19 19 ILE N N 19 124.783 124.783 123.321 1.462 18487 43 1 1 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.246 0.744 18487 44 1 1 . 1 1 19 19 ILE CA C 19 57.508 57.508 59.081 -1.573 18487 45 1 1 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.990 -0.640 18487 46 1 1 . 1 1 19 19 ILE H H 19 8.485 8.485 8.256 0.229 18487 47 1 1 . 1 1 20 20 LYS N N 20 128.184 128.184 128.258 -0.074 18487 48 1 1 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.519 0.240 18487 49 1 1 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.505 -1.376 18487 50 1 1 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.697 0.944 18487 51 1 1 . 1 1 20 20 LYS H H 20 9.253 9.253 8.617 0.636 18487 52 1 1 . 1 1 21 21 THR N N 21 114.649 114.649 118.446 -3.797 18487 53 1 1 . 1 1 21 21 THR HA H 21 4.930 4.930 4.520 0.410 18487 54 1 1 . 1 1 21 21 THR CA C 21 60.191 60.191 61.221 -1.030 18487 55 1 1 . 1 1 21 21 THR CB C 21 69.966 69.966 68.952 1.014 18487 56 1 1 . 1 1 21 21 THR H H 21 8.232 8.232 8.252 -0.020 18487 57 1 1 . 1 1 22 22 LEU N N 22 125.973 125.973 129.229 -3.256 18487 58 1 1 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.588 0.091 18487 59 1 1 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.581 0.172 18487 60 1 1 . 1 1 22 22 LEU CB C 22 45.134 45.134 43.602 1.532 18487 61 1 1 . 1 1 22 22 LEU H H 22 9.156 9.156 8.376 0.780 18487 62 1 1 . 1 1 23 23 THR N N 23 112.582 112.582 113.443 -0.861 18487 63 1 1 . 1 1 23 23 THR HA H 23 4.281 4.281 4.281 0.000 18487 64 1 1 . 1 1 23 23 THR CA C 23 61.474 61.474 61.758 -0.284 18487 65 1 1 . 1 1 23 23 THR CB C 23 69.759 69.759 69.249 0.510 18487 66 1 1 . 1 1 23 23 THR H H 23 7.912 7.912 8.204 -0.292 18487 67 1 1 . 1 1 24 24 THR N N 24 112.952 112.952 117.757 -4.805 18487 68 1 1 . 1 1 24 24 THR HA H 24 5.040 5.040 4.667 0.373 18487 69 1 1 . 1 1 24 24 THR CA C 24 60.000 60.000 58.806 1.194 18487 70 1 1 . 1 1 24 24 THR CB C 24 69.872 69.872 68.657 1.215 18487 71 1 1 . 1 1 24 24 THR H H 24 8.793 8.793 8.223 0.570 18487 72 1 1 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.499 -0.054 18487 73 1 1 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.627 0.695 18487 74 1 1 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.854 -0.274 18487 75 1 1 . 1 1 26 26 ASN N N 26 115.534 115.534 117.555 -2.021 18487 76 1 1 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.775 0.160 18487 77 1 1 . 1 1 26 26 ASN CA C 26 51.037 51.037 53.214 -2.177 18487 78 1 1 . 1 1 26 26 ASN CB C 26 39.722 39.722 39.868 -0.146 18487 79 1 1 . 1 1 26 26 ASN H H 26 7.774 7.774 7.575 0.199 18487 80 1 1 . 1 1 27 27 GLU N N 27 127.099 127.099 119.650 7.449 18487 81 1 1 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.221 0.189 18487 82 1 1 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.422 0.536 18487 83 1 1 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.264 -1.159 18487 84 1 1 . 1 1 27 27 GLU H H 27 9.428 9.428 8.712 0.716 18487 85 1 1 . 1 1 28 28 ASN N N 28 115.176 115.176 117.244 -2.068 18487 86 1 1 . 1 1 28 28 ASN HA H 28 4.986 4.986 5.069 -0.083 18487 87 1 1 . 1 1 28 28 ASN CA C 28 53.784 53.784 52.993 0.791 18487 88 1 1 . 1 1 28 28 ASN CB C 28 38.545 38.545 39.445 -0.900 18487 89 1 1 . 1 1 28 28 ASN H H 28 8.591 8.591 8.338 0.253 18487 90 1 1 . 1 1 29 29 ALA N N 29 123.317 123.317 122.618 0.699 18487 91 1 1 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.753 0.623 18487 92 1 1 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.497 0.813 18487 93 1 1 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.674 0.484 18487 94 1 1 . 1 1 29 29 ALA H H 29 8.210 8.210 7.922 0.288 18487 95 1 1 . 1 1 30 30 LEU N N 30 124.426 124.426 123.870 0.556 18487 96 1 1 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.446 0.062 18487 97 1 1 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.251 -0.591 18487 98 1 1 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.413 0.138 18487 99 1 1 . 1 1 30 30 LEU H H 30 8.550 8.550 8.590 -0.040 18487 100 1 1 . 1 1 31 31 LYS N N 31 123.555 123.555 125.974 -2.419 18487 101 1 1 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.744 0.395 18487 102 1 1 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.523 -0.440 18487 103 1 1 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.352 1.819 18487 104 1 1 . 1 1 31 31 LYS H H 31 8.169 8.169 7.926 0.243 18487 105 1 1 . 1 1 32 32 PHE N N 32 124.529 124.529 125.834 -1.305 18487 106 1 1 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.896 0.079 18487 107 1 1 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.816 -0.342 18487 108 1 1 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.089 -0.012 18487 109 1 1 . 1 1 32 32 PHE H H 32 9.634 9.634 9.132 0.502 18487 110 1 1 . 1 1 33 33 LEU N N 33 122.712 122.712 126.014 -3.302 18487 111 1 1 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.071 -0.007 18487 112 1 1 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.272 1.115 18487 113 1 1 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.961 -0.135 18487 114 1 1 . 1 1 33 33 LEU H H 33 9.174 9.174 8.661 0.513 18487 115 1 1 . 1 1 34 34 SER N N 34 117.120 117.120 121.711 -4.591 18487 116 1 1 . 1 1 34 34 SER HA H 34 5.116 5.116 4.790 0.326 18487 117 1 1 . 1 1 34 34 SER CA C 34 56.626 56.626 58.347 -1.721 18487 118 1 1 . 1 1 34 34 SER CB C 34 64.053 64.053 63.233 0.820 18487 119 1 1 . 1 1 34 34 SER H H 34 8.979 8.979 8.524 0.455 18487 120 1 1 . 1 1 35 35 THR N N 35 117.097 117.097 116.978 0.119 18487 121 1 1 . 1 1 35 35 THR HA H 35 4.460 4.460 4.624 -0.164 18487 122 1 1 . 1 1 35 35 THR CA C 35 62.944 62.944 61.060 1.884 18487 123 1 1 . 1 1 35 35 THR CB C 35 69.779 69.779 69.597 0.182 18487 124 1 1 . 1 1 35 35 THR H H 35 8.646 8.646 8.476 0.170 18487 125 1 1 . 1 1 36 36 ASP N N 36 120.039 120.039 124.833 -4.794 18487 126 1 1 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.669 0.186 18487 127 1 1 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.260 -0.519 18487 128 1 1 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.122 0.397 18487 129 1 1 . 1 1 36 36 ASP H H 36 8.711 8.711 8.216 0.495 18487 130 1 1 . 1 1 37 37 GLY N N 37 107.015 107.015 108.789 -1.774 18487 131 1 1 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.774 -0.145 18487 132 1 1 . 1 1 37 37 GLY H H 37 8.020 8.020 8.478 -0.458 18487 133 1 1 . 1 1 38 38 GLU N N 38 120.021 120.021 120.127 -0.106 18487 134 1 1 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.597 -0.319 18487 135 1 1 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.777 1.366 18487 136 1 1 . 1 1 38 38 GLU CB C 38 29.317 29.317 31.193 -1.876 18487 137 1 1 . 1 1 38 38 GLU H H 38 8.101 8.101 8.108 -0.007 18487 138 1 1 . 1 1 39 39 MET N N 39 121.372 121.372 115.522 5.850 18487 139 1 1 . 1 1 39 39 MET HA H 39 4.799 4.799 4.901 -0.102 18487 140 1 1 . 1 1 39 39 MET CA C 39 54.229 54.229 54.619 -0.390 18487 141 1 1 . 1 1 39 39 MET CB C 39 33.392 33.392 35.812 -2.421 18487 142 1 1 . 1 1 39 39 MET H H 39 8.571 8.571 8.321 0.250 18487 143 1 1 . 1 1 40 40 LEU N N 40 121.913 121.913 119.652 2.261 18487 144 1 1 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.332 -0.073 18487 145 1 1 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.833 0.311 18487 146 1 1 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.560 -0.134 18487 147 1 1 . 1 1 40 40 LEU H H 40 8.572 8.572 8.588 -0.016 18487 148 1 1 . 1 1 41 41 GLN N N 41 114.647 114.647 116.348 -1.701 18487 149 1 1 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.646 0.022 18487 150 1 1 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.044 0.353 18487 151 1 1 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.433 2.857 18487 152 1 1 . 1 1 41 41 GLN H H 41 8.420 8.420 7.872 0.548 18487 153 1 1 . 1 1 42 42 THR N N 42 111.706 111.706 117.708 -6.002 18487 154 1 1 . 1 1 42 42 THR HA H 42 4.038 4.038 4.245 -0.207 18487 155 1 1 . 1 1 42 42 THR CA C 42 63.082 63.082 62.872 0.210 18487 156 1 1 . 1 1 42 42 THR CB C 42 69.264 69.264 69.465 -0.201 18487 157 1 1 . 1 1 42 42 THR H H 42 8.205 8.205 8.510 -0.305 18487 158 1 1 . 1 1 43 43 ARG N N 43 126.367 126.367 126.883 -0.516 18487 159 1 1 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.141 0.008 18487 160 1 1 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.449 -0.016 18487 161 1 1 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.210 -1.284 18487 162 1 1 . 1 1 43 43 ARG H H 43 8.885 8.885 9.000 -0.115 18487 163 1 1 . 1 1 44 44 GLY N N 44 116.299 116.299 113.298 3.001 18487 164 1 1 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.772 0.104 18487 165 1 1 . 1 1 44 44 GLY H H 44 9.999 9.999 8.723 1.276 18487 166 1 1 . 1 1 45 45 SER N N 45 117.374 117.374 116.432 0.942 18487 167 1 1 . 1 1 45 45 SER HA H 45 4.316 4.316 4.568 -0.252 18487 168 1 1 . 1 1 45 45 SER CA C 45 59.967 59.967 57.633 2.334 18487 169 1 1 . 1 1 45 45 SER CB C 45 63.866 63.866 64.758 -0.892 18487 170 1 1 . 1 1 45 45 SER H H 45 8.034 8.034 7.695 0.339 18487 171 1 1 . 1 1 46 46 LYS N N 46 124.024 124.024 119.755 4.269 18487 172 1 1 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.550 -0.293 18487 173 1 1 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.279 1.023 18487 174 1 1 . 1 1 46 46 LYS CB C 46 32.677 32.677 34.029 -1.351 18487 175 1 1 . 1 1 46 46 LYS H H 46 8.560 8.560 8.417 0.143 18487 176 1 1 . 1 1 47 47 SER N N 47 119.851 119.851 116.053 3.798 18487 177 1 1 . 1 1 47 47 SER HA H 47 4.824 4.824 4.857 -0.033 18487 178 1 1 . 1 1 47 47 SER CA C 47 57.920 57.920 57.798 0.121 18487 179 1 1 . 1 1 47 47 SER CB C 47 63.770 63.770 62.883 0.887 18487 180 1 1 . 1 1 47 47 SER H H 47 8.663 8.663 8.438 0.225 18487 181 1 1 . 1 1 48 48 ILE N N 48 124.054 124.054 126.799 -2.745 18487 182 1 1 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.190 0.167 18487 183 1 1 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.081 -0.969 18487 184 1 1 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.770 2.326 18487 185 1 1 . 1 1 48 48 ILE H H 48 8.619 8.619 7.976 0.643 18487 186 1 1 . 1 1 49 49 VAL N N 49 128.260 128.260 128.804 -0.544 18487 187 1 1 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.569 0.163 18487 188 1 1 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.505 0.507 18487 189 1 1 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.178 1.433 18487 190 1 1 . 1 1 49 49 VAL H H 49 8.498 8.498 8.672 -0.174 18487 191 1 1 . 1 1 50 50 ILE N N 50 127.715 127.715 130.184 -2.469 18487 192 1 1 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.308 0.195 18487 193 1 1 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.709 0.781 18487 194 1 1 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.966 2.497 18487 195 1 1 . 1 1 50 50 ILE H H 50 9.236 9.236 8.216 1.020 18487 196 1 1 . 1 1 51 51 LYS N N 51 127.422 127.422 127.440 -0.018 18487 197 1 1 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.620 0.040 18487 198 1 1 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.726 -0.176 18487 199 1 1 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.671 0.272 18487 200 1 1 . 1 1 51 51 LYS H H 51 9.673 9.673 8.524 1.149 18487 201 1 1 . 1 1 52 52 ASN N N 52 117.981 117.981 120.460 -2.479 18487 202 1 1 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.626 -0.878 18487 203 1 1 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.974 0.193 18487 204 1 1 . 1 1 52 52 ASN CB C 52 36.383 36.383 38.184 -1.800 18487 205 1 1 . 1 1 52 52 ASN H H 52 8.119 8.119 8.486 -0.367 18487 206 1 1 . 1 1 53 53 THR N N 53 105.425 105.425 110.419 -4.994 18487 207 1 1 . 1 1 53 53 THR HA H 53 4.218 4.218 4.136 0.082 18487 208 1 1 . 1 1 53 53 THR CA C 53 60.619 60.619 63.570 -2.951 18487 209 1 1 . 1 1 53 53 THR CB C 53 69.221 69.221 68.906 0.315 18487 210 1 1 . 1 1 53 53 THR H H 53 6.908 6.908 7.937 -1.029 18487 211 1 1 . 1 1 54 54 ASP N N 54 125.547 125.547 123.445 2.102 18487 212 1 1 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.711 0.255 18487 213 1 1 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.492 -0.979 18487 214 1 1 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.621 0.335 18487 215 1 1 . 1 1 54 54 ASP H H 54 7.811 7.811 7.847 -0.036 18487 216 1 1 . 1 1 55 55 GLU N N 55 123.946 123.946 123.254 0.692 18487 217 1 1 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.773 0.050 18487 218 1 1 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.571 0.553 18487 219 1 1 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.937 -0.005 18487 220 1 1 . 1 1 55 55 GLU H H 55 7.919 7.919 7.630 0.289 18487 221 1 1 . 1 1 56 56 ASN N N 56 115.295 115.295 117.299 -2.004 18487 222 1 1 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.324 0.230 18487 223 1 1 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.552 0.556 18487 224 1 1 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.750 0.517 18487 225 1 1 . 1 1 56 56 ASN H H 56 8.728 8.728 8.502 0.226 18487 226 1 1 . 1 1 57 57 LEU N N 57 120.223 120.223 118.881 1.342 18487 227 1 1 . 1 1 57 57 LEU HA H 57 4.235 4.235 3.970 0.265 18487 228 1 1 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.182 0.407 18487 229 1 1 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.954 0.958 18487 230 1 1 . 1 1 57 57 LEU H H 57 7.621 7.621 7.268 0.353 18487 231 1 1 . 1 1 58 58 ILE N N 58 120.489 120.489 119.577 0.912 18487 232 1 1 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.705 -0.169 18487 233 1 1 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.051 1.288 18487 234 1 1 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.596 0.797 18487 235 1 1 . 1 1 58 58 ILE H H 58 8.461 8.461 7.252 1.209 18487 236 1 1 . 1 1 59 59 ASN N N 59 114.873 114.873 117.266 -2.393 18487 237 1 1 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.447 0.031 18487 238 1 1 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.488 -0.533 18487 239 1 1 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.144 -0.109 18487 240 1 1 . 1 1 59 59 ASN H H 59 7.958 7.958 8.374 -0.416 18487 241 1 1 . 1 1 60 60 HIS N N 60 115.059 115.059 116.004 -0.945 18487 242 1 1 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.433 0.335 18487 243 1 1 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.325 -0.988 18487 244 1 1 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.587 -0.771 18487 245 1 1 . 1 1 60 60 HIS H H 60 7.633 7.633 7.353 0.280 18487 246 1 1 . 1 1 61 61 SER N N 61 115.447 115.447 112.180 3.267 18487 247 1 1 . 1 1 61 61 SER HA H 61 5.135 5.135 4.838 0.297 18487 248 1 1 . 1 1 61 61 SER CA C 61 56.072 56.072 55.571 0.501 18487 249 1 1 . 1 1 61 61 SER CB C 61 63.806 63.806 63.875 -0.069 18487 250 1 1 . 1 1 61 61 SER H H 61 7.849 7.849 7.604 0.245 18487 251 1 1 . 1 1 62 62 LYS N N 62 132.090 132.090 130.246 1.844 18487 252 1 1 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.048 -0.004 18487 253 1 1 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.655 0.890 18487 254 1 1 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.108 -0.569 18487 255 1 1 . 1 1 62 62 LYS H H 62 9.021 9.021 8.987 0.034 18487 256 1 1 . 1 1 63 63 LEU N N 63 118.793 118.793 119.194 -0.401 18487 257 1 1 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.060 0.066 18487 258 1 1 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.903 -0.253 18487 259 1 1 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.540 0.239 18487 260 1 1 . 1 1 63 63 LEU H H 63 8.567 8.567 7.992 0.575 18487 261 1 1 . 1 1 64 64 ALA N N 64 118.752 118.752 120.507 -1.755 18487 262 1 1 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.783 -0.163 18487 263 1 1 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.138 -0.081 18487 264 1 1 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.290 0.295 18487 265 1 1 . 1 1 64 64 ALA H H 64 7.645 7.645 7.432 0.213 18487 266 1 1 . 1 1 65 65 GLN N N 65 115.176 115.176 117.931 -2.755 18487 267 1 1 . 1 1 65 65 GLN HA H 65 3.946 3.946 4.025 -0.079 18487 268 1 1 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.189 0.068 18487 269 1 1 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.533 0.067 18487 270 1 1 . 1 1 65 65 GLN H H 65 8.539 8.539 7.924 0.615 18487 271 1 1 . 1 1 66 66 GLN N N 66 115.801 115.801 118.329 -2.528 18487 272 1 1 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.134 -0.068 18487 273 1 1 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.211 0.349 18487 274 1 1 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.372 1.125 18487 275 1 1 . 1 1 66 66 GLN H H 66 8.125 8.125 7.850 0.275 18487 276 1 1 . 1 1 67 67 ILE N N 67 119.874 119.874 120.717 -0.843 18487 277 1 1 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.641 -0.304 18487 278 1 1 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.255 0.788 18487 279 1 1 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.764 -0.846 18487 280 1 1 . 1 1 67 67 ILE H H 67 8.281 8.281 7.894 0.387 18487 281 1 1 . 1 1 68 68 PHE N N 68 114.873 114.873 117.968 -3.095 18487 282 1 1 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.447 0.048 18487 283 1 1 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.279 -0.588 18487 284 1 1 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.251 -0.603 18487 285 1 1 . 1 1 68 68 PHE H H 68 8.255 8.255 8.137 0.118 18487 286 1 1 . 1 1 69 69 LEU N N 69 117.763 117.763 120.310 -2.547 18487 287 1 1 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.102 0.193 18487 288 1 1 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.851 -0.515 18487 289 1 1 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.066 1.062 18487 290 1 1 . 1 1 69 69 LEU H H 69 7.747 7.747 7.827 -0.080 18487 291 1 1 . 1 1 70 70 GLN N N 70 115.040 115.040 115.544 -0.504 18487 292 1 1 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.225 0.087 18487 293 1 1 . 1 1 70 70 GLN CA C 70 57.230 57.230 58.340 -1.110 18487 294 1 1 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.256 -0.234 18487 295 1 1 . 1 1 70 70 GLN H H 70 8.308 8.308 8.083 0.225 18487 296 1 1 . 1 1 71 71 CYS N N 71 115.881 115.881 117.948 -2.067 18487 297 1 1 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.982 -0.024 18487 298 1 1 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.149 0.252 18487 299 1 1 . 1 1 71 71 CYS CB C 71 28.735 28.735 27.930 0.805 18487 300 1 1 . 1 1 71 71 CYS H H 71 8.242 8.242 8.045 0.197 18487 301 1 1 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.707 -0.144 18487 302 1 1 . 1 1 72 72 PRO CA C 72 64.009 64.009 64.120 -0.111 18487 303 1 1 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.188 -0.777 18487 304 1 1 . 1 1 73 73 GLY N N 73 106.975 106.975 106.871 0.104 18487 305 1 1 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.620 0.658 18487 306 1 1 . 1 1 73 73 GLY H H 73 8.657 8.657 8.328 0.329 18487 307 1 1 . 1 1 74 74 VAL N N 74 119.448 119.448 120.975 -1.527 18487 308 1 1 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.001 -0.021 18487 309 1 1 . 1 1 74 74 VAL CA C 74 63.801 63.801 64.021 -0.220 18487 310 1 1 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.537 -0.037 18487 311 1 1 . 1 1 74 74 VAL H H 74 7.747 7.747 7.328 0.419 18487 312 1 1 . 1 1 75 75 GLU N N 75 129.063 129.063 127.458 1.605 18487 313 1 1 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.368 0.099 18487 314 1 1 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.136 -0.106 18487 315 1 1 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.103 0.509 18487 316 1 1 . 1 1 75 75 GLU H H 75 8.994 8.994 8.809 0.185 18487 317 1 1 . 1 1 76 76 SER N N 76 110.068 110.068 110.121 -0.053 18487 318 1 1 . 1 1 76 76 SER HA H 76 5.283 5.283 5.556 -0.273 18487 319 1 1 . 1 1 76 76 SER CA C 76 57.395 57.395 57.550 -0.155 18487 320 1 1 . 1 1 76 76 SER CB C 76 65.281 65.281 66.615 -1.334 18487 321 1 1 . 1 1 76 76 SER H H 76 8.306 8.306 7.936 0.370 18487 322 1 1 . 1 1 77 77 LEU N N 77 117.334 117.334 119.450 -2.116 18487 323 1 1 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.313 0.088 18487 324 1 1 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.286 0.295 18487 325 1 1 . 1 1 77 77 LEU CB C 77 46.173 46.173 46.029 0.144 18487 326 1 1 . 1 1 77 77 LEU H H 77 9.250 9.250 8.848 0.402 18487 327 1 1 . 1 1 78 78 MET N N 78 121.119 121.119 120.456 0.663 18487 328 1 1 . 1 1 78 78 MET HA H 78 5.367 5.367 5.114 0.253 18487 329 1 1 . 1 1 78 78 MET CA C 78 53.966 53.966 54.434 -0.468 18487 330 1 1 . 1 1 78 78 MET CB C 78 36.374 36.374 35.773 0.601 18487 331 1 1 . 1 1 78 78 MET H H 78 9.333 9.333 8.374 0.959 18487 332 1 1 . 1 1 79 79 ILE N N 79 127.512 127.512 127.353 0.159 18487 333 1 1 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.322 -0.330 18487 334 1 1 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.417 2.209 18487 335 1 1 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.072 2.314 18487 336 1 1 . 1 1 79 79 ILE H H 79 9.396 9.396 8.804 0.592 18487 337 1 1 . 1 1 80 80 GLY N N 80 117.437 117.437 114.219 3.218 18487 338 1 1 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.008 0.602 18487 339 1 1 . 1 1 80 80 GLY H H 80 7.916 7.916 7.784 0.132 18487 340 1 1 . 1 1 81 81 ASP N N 81 118.860 118.860 118.898 -0.038 18487 341 1 1 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.419 0.254 18487 342 1 1 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.534 -3.500 18487 343 1 1 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.957 -1.283 18487 344 1 1 . 1 1 81 81 ASP H H 81 7.983 7.983 8.302 -0.319 18487 345 1 1 . 1 1 82 82 ASP N N 82 118.682 118.682 115.400 3.282 18487 346 1 1 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.692 0.127 18487 347 1 1 . 1 1 82 82 ASP CA C 82 52.138 52.138 56.385 -4.247 18487 348 1 1 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.600 -0.606 18487 349 1 1 . 1 1 82 82 ASP H H 82 9.164 9.164 8.574 0.590 18487 350 1 1 . 1 1 83 83 PHE N N 83 110.898 110.898 114.764 -3.866 18487 351 1 1 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.765 0.085 18487 352 1 1 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.944 0.021 18487 353 1 1 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.125 0.621 18487 354 1 1 . 1 1 83 83 PHE H H 83 6.887 6.887 7.336 -0.449 18487 355 1 1 . 1 1 84 84 LEU N N 84 121.119 121.119 121.620 -0.501 18487 356 1 1 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.270 -0.037 18487 357 1 1 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.815 -0.849 18487 358 1 1 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.598 1.810 18487 359 1 1 . 1 1 84 84 LEU H H 84 9.118 9.118 8.768 0.350 18487 360 1 1 . 1 1 85 85 THR N N 85 125.430 125.430 125.306 0.124 18487 361 1 1 . 1 1 85 85 THR HA H 85 5.639 5.639 5.134 0.505 18487 362 1 1 . 1 1 85 85 THR CA C 85 61.743 61.743 62.401 -0.658 18487 363 1 1 . 1 1 85 85 THR CB C 85 69.835 69.835 69.152 0.683 18487 364 1 1 . 1 1 85 85 THR H H 85 9.780 9.780 8.817 0.963 18487 365 1 1 . 1 1 86 86 ILE N N 86 126.778 126.778 129.066 -2.288 18487 366 1 1 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.258 0.453 18487 367 1 1 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.674 -1.969 18487 368 1 1 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.333 2.011 18487 369 1 1 . 1 1 86 86 ILE H H 86 9.151 9.151 8.994 0.157 18487 370 1 1 . 1 1 87 87 ASN N N 87 124.785 124.785 127.465 -2.680 18487 371 1 1 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.957 0.069 18487 372 1 1 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.378 -0.346 18487 373 1 1 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.585 -1.906 18487 374 1 1 . 1 1 87 87 ASN H H 87 8.680 8.680 8.906 -0.226 18487 375 1 1 . 1 1 88 88 LYS N N 88 122.617 122.617 123.630 -1.013 18487 376 1 1 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.922 0.317 18487 377 1 1 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.444 0.070 18487 378 1 1 . 1 1 88 88 LYS CB C 88 36.255 36.255 35.084 1.171 18487 379 1 1 . 1 1 88 88 LYS H H 88 9.361 9.361 8.434 0.927 18487 380 1 1 . 1 1 89 89 ASP N N 89 121.211 121.211 120.389 0.822 18487 381 1 1 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.646 -0.185 18487 382 1 1 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.735 0.160 18487 383 1 1 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.317 -0.573 18487 384 1 1 . 1 1 89 89 ASP H H 89 8.454 8.454 8.362 0.092 18487 385 1 1 . 1 1 90 90 ARG N N 90 124.551 124.551 124.778 -0.227 18487 386 1 1 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.012 0.062 18487 387 1 1 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.070 0.039 18487 388 1 1 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.285 0.611 18487 389 1 1 . 1 1 90 90 ARG H H 90 8.475 8.475 8.661 -0.186 18487 390 1 1 . 1 1 91 91 MET N N 91 115.821 115.821 116.537 -0.716 18487 391 1 1 . 1 1 91 91 MET HA H 91 4.424 4.424 4.279 0.145 18487 392 1 1 . 1 1 91 91 MET CA C 91 55.206 55.206 57.393 -2.187 18487 393 1 1 . 1 1 91 91 MET CB C 91 31.307 31.307 33.462 -2.155 18487 394 1 1 . 1 1 91 91 MET H H 91 8.725 8.725 7.841 0.884 18487 395 1 1 . 1 1 92 92 VAL N N 92 119.922 119.922 119.592 0.330 18487 396 1 1 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.130 -0.024 18487 397 1 1 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.254 -0.196 18487 398 1 1 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.779 0.365 18487 399 1 1 . 1 1 92 92 VAL H H 92 7.348 7.348 7.268 0.080 18487 400 1 1 . 1 1 93 93 HIS N N 93 125.619 125.619 125.017 0.602 18487 401 1 1 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.685 -0.089 18487 402 1 1 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.808 -0.414 18487 403 1 1 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.780 -1.122 18487 404 1 1 . 1 1 93 93 HIS H H 93 8.851 8.851 8.498 0.353 18487 405 1 1 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.540 0.460 18487 406 1 1 . 1 1 94 94 TRP CA C 94 60.000 60.000 59.901 0.099 18487 407 1 1 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.303 0.697 18487 408 1 1 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.437 0.260 18487 409 1 1 . 1 1 95 95 ASN CA C 95 56.027 56.027 56.310 -0.283 18487 410 1 1 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.193 -1.042 18487 411 1 1 . 1 1 96 96 SER N N 96 113.047 113.047 113.741 -0.694 18487 412 1 1 . 1 1 96 96 SER HA H 96 4.628 4.628 4.486 0.142 18487 413 1 1 . 1 1 96 96 SER CA C 96 60.183 60.183 60.293 -0.110 18487 414 1 1 . 1 1 96 96 SER CB C 96 63.901 63.901 64.053 -0.152 18487 415 1 1 . 1 1 96 96 SER H H 96 8.064 8.064 7.669 0.395 18487 416 1 1 . 1 1 97 97 ILE N N 97 116.621 116.621 123.120 -6.499 18487 417 1 1 . 1 1 97 97 ILE HA H 97 4.642 4.642 3.968 0.674 18487 418 1 1 . 1 1 97 97 ILE CA C 97 62.778 62.778 64.346 -1.568 18487 419 1 1 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.301 4.126 18487 420 1 1 . 1 1 97 97 ILE H H 97 7.705 7.705 7.422 0.283 18487 421 1 1 . 1 1 98 98 LYS N N 98 120.198 120.198 120.101 0.097 18487 422 1 1 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.507 -0.250 18487 423 1 1 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.346 0.367 18487 424 1 1 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.355 0.618 18487 425 1 1 . 1 1 98 98 LYS H H 98 9.132 9.132 8.216 0.916 18487 426 1 1 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.360 -0.076 18487 427 1 1 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.962 0.372 18487 428 1 1 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.181 -0.780 18487 429 1 1 . 1 1 100 100 GLU N N 100 117.097 117.097 119.023 -1.926 18487 430 1 1 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.053 0.099 18487 431 1 1 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.539 -0.720 18487 432 1 1 . 1 1 100 100 GLU CB C 100 29.416 29.416 29.340 0.076 18487 433 1 1 . 1 1 100 100 GLU H H 100 7.447 7.447 7.709 -0.262 18487 434 1 1 . 1 1 101 101 ILE N N 101 118.326 118.326 119.867 -1.541 18487 435 1 1 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.605 -0.241 18487 436 1 1 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.150 -1.789 18487 437 1 1 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.503 -1.654 18487 438 1 1 . 1 1 101 101 ILE H H 101 7.896 7.896 7.789 0.107 18487 439 1 1 . 1 1 102 102 ILE N N 102 118.368 118.368 120.819 -2.451 18487 440 1 1 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.667 -0.259 18487 441 1 1 . 1 1 102 102 ILE CA C 102 66.246 66.246 64.098 2.148 18487 442 1 1 . 1 1 102 102 ILE CB C 102 37.240 37.240 36.362 0.878 18487 443 1 1 . 1 1 102 102 ILE H H 102 8.243 8.243 8.534 -0.291 18487 444 1 1 . 1 1 103 103 ASP N N 103 122.381 122.381 120.755 1.626 18487 445 1 1 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.343 0.035 18487 446 1 1 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.899 0.083 18487 447 1 1 . 1 1 103 103 ASP CB C 103 41.534 41.534 41.115 0.419 18487 448 1 1 . 1 1 103 103 ASP H H 103 7.900 7.900 7.711 0.189 18487 449 1 1 . 1 1 104 104 LEU N N 104 119.007 119.007 120.238 -1.231 18487 450 1 1 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.966 0.032 18487 451 1 1 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.544 0.195 18487 452 1 1 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.921 0.221 18487 453 1 1 . 1 1 104 104 LEU H H 104 8.261 8.261 8.070 0.191 18487 454 1 1 . 1 1 105 105 LEU N N 105 120.443 120.443 119.449 0.994 18487 455 1 1 . 1 1 105 105 LEU HA H 105 3.987 3.987 3.968 0.019 18487 456 1 1 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.460 -0.959 18487 457 1 1 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.276 0.811 18487 458 1 1 . 1 1 105 105 LEU H H 105 9.022 9.022 8.328 0.694 18487 459 1 1 . 1 1 106 106 THR N N 106 114.821 114.821 115.052 -0.231 18487 460 1 1 . 1 1 106 106 THR HA H 106 3.698 3.698 3.910 -0.212 18487 461 1 1 . 1 1 106 106 THR CA C 106 67.610 67.610 66.522 1.088 18487 462 1 1 . 1 1 106 106 THR CB C 106 68.325 68.325 68.589 -0.264 18487 463 1 1 . 1 1 106 106 THR H H 106 8.273 8.273 7.633 0.640 18487 464 1 1 . 1 1 107 107 LYS N N 107 120.049 120.049 120.376 -0.327 18487 465 1 1 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.660 0.247 18487 466 1 1 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.366 1.089 18487 467 1 1 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.492 0.870 18487 468 1 1 . 1 1 107 107 LYS H H 107 7.691 7.691 7.819 -0.128 18487 469 1 1 . 1 1 108 108 GLN N N 108 118.375 118.375 119.171 -0.796 18487 470 1 1 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.146 -0.128 18487 471 1 1 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.551 -0.568 18487 472 1 1 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.567 -0.912 18487 473 1 1 . 1 1 108 108 GLN H H 108 7.888 7.888 7.746 0.142 18487 474 1 1 . 1 1 109 109 LEU N N 109 118.066 118.066 116.489 1.577 18487 475 1 1 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.450 -0.268 18487 476 1 1 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.316 0.150 18487 477 1 1 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.526 0.284 18487 478 1 1 . 1 1 109 109 LEU H H 109 8.269 8.269 7.821 0.448 18487 479 1 1 . 1 1 110 110 ALA N N 110 120.909 120.909 118.719 2.190 18487 480 1 1 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.195 -0.163 18487 481 1 1 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.226 1.014 18487 482 1 1 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.720 -0.053 18487 483 1 1 . 1 1 110 110 ALA H H 110 8.171 8.171 7.187 0.984 18487 484 1 1 . 1 1 111 111 TYR N N 111 114.611 114.611 118.593 -3.982 18487 485 1 1 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.658 -0.016 18487 486 1 1 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.150 -0.223 18487 487 1 1 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.406 -0.934 18487 488 1 1 . 1 1 111 111 TYR H H 111 7.763 7.763 7.499 0.264 18487 489 1 1 . 1 1 112 112 GLY N N 112 107.916 107.916 105.507 2.409 18487 490 1 1 . 1 1 112 112 GLY CA C 112 46.208 46.208 44.562 1.645 18487 491 1 1 . 1 1 112 112 GLY H H 112 7.941 7.941 8.026 -0.085 18487 492 1 1 . 1 1 113 113 GLU N N 113 119.571 119.571 119.961 -0.390 18487 493 1 1 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.146 0.244 18487 494 1 1 . 1 1 113 113 GLU CA C 113 56.025 56.025 57.654 -1.629 18487 495 1 1 . 1 1 113 113 GLU CB C 113 30.403 30.403 30.330 0.073 18487 496 1 1 . 1 1 113 113 GLU H H 113 8.166 8.166 8.695 -0.529 18487 497 1 1 . 1 1 114 114 ASP N N 114 121.457 121.457 118.771 2.686 18487 498 1 1 . 1 1 114 114 ASP HA H 114 4.625 4.625 5.102 -0.477 18487 499 1 1 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.646 1.429 18487 500 1 1 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.531 -1.534 18487 501 1 1 . 1 1 114 114 ASP H H 114 8.560 8.560 7.732 0.828 18487 502 1 1 . 1 1 115 115 VAL N N 115 120.645 120.645 123.061 -2.416 18487 503 1 1 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.156 -0.077 18487 504 1 1 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.058 -0.541 18487 505 1 1 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.845 -1.012 18487 506 1 1 . 1 1 115 115 VAL H H 115 8.659 8.659 8.226 0.433 18487 507 1 1 . 1 1 116 116 ILE N N 116 120.775 120.775 117.897 2.878 18487 508 1 1 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.264 0.399 18487 509 1 1 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.522 0.214 18487 510 1 1 . 1 1 116 116 ILE CB C 116 39.798 39.798 40.320 -0.522 18487 511 1 1 . 1 1 116 116 ILE H H 116 7.881 7.881 7.528 0.353 18487 512 1 1 . 1 1 117 117 SER N N 117 121.192 121.192 122.423 -1.231 18487 513 1 1 . 1 1 117 117 SER HA H 117 4.641 4.641 4.344 0.297 18487 514 1 1 . 1 1 117 117 SER CA C 117 57.846 57.846 59.181 -1.335 18487 515 1 1 . 1 1 117 117 SER CB C 117 63.962 63.962 63.556 0.406 18487 516 1 1 . 1 1 117 117 SER H H 117 8.767 8.767 8.737 0.030 18487 517 1 1 . 1 1 118 118 LYS N N 118 124.317 124.317 127.919 -3.602 18487 518 1 1 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.033 0.323 18487 519 1 1 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.480 0.057 18487 520 1 1 . 1 1 118 118 LYS CB C 118 33.050 33.050 31.576 1.474 18487 521 1 1 . 1 1 118 118 LYS H H 118 8.633 8.633 8.513 0.120 18487 522 1 2 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.809 -0.129 18487 523 1 2 . 1 1 11 11 MET N N 11 120.918 120.918 124.433 -3.515 18487 524 1 2 . 1 1 11 11 MET HA H 11 4.435 4.435 4.492 -0.057 18487 525 1 2 . 1 1 11 11 MET CA C 11 55.736 55.736 55.955 -0.219 18487 526 1 2 . 1 1 11 11 MET CB C 11 32.501 32.501 33.510 -1.009 18487 527 1 2 . 1 1 11 11 MET H H 11 8.289 8.289 8.451 -0.162 18487 528 1 2 . 1 1 12 12 ASN N N 12 120.356 120.356 124.698 -4.342 18487 529 1 2 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.899 -0.141 18487 530 1 2 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.441 0.047 18487 531 1 2 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.819 -0.243 18487 532 1 2 . 1 1 12 12 ASN H H 12 8.583 8.583 8.593 -0.010 18487 533 1 2 . 1 1 13 13 SER N N 13 116.582 116.582 118.952 -2.370 18487 534 1 2 . 1 1 13 13 SER HA H 13 4.378 4.378 4.633 -0.255 18487 535 1 2 . 1 1 13 13 SER CA C 13 58.842 58.842 57.547 1.295 18487 536 1 2 . 1 1 13 13 SER CB C 13 63.403 63.403 62.722 0.681 18487 537 1 2 . 1 1 13 13 SER H H 13 8.319 8.319 8.803 -0.484 18487 538 1 2 . 1 1 14 14 GLN N N 14 121.369 121.369 120.453 0.916 18487 539 1 2 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.390 -0.072 18487 540 1 2 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.025 1.074 18487 541 1 2 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.291 0.653 18487 542 1 2 . 1 1 14 14 GLN H H 14 8.365 8.365 7.709 0.656 18487 543 1 2 . 1 1 15 15 ARG N N 15 121.565 121.565 121.187 0.378 18487 544 1 2 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.237 0.077 18487 545 1 2 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.853 0.035 18487 546 1 2 . 1 1 15 15 ARG CB C 15 30.427 30.427 29.852 0.575 18487 547 1 2 . 1 1 15 15 ARG H H 15 8.084 8.084 7.931 0.153 18487 548 1 2 . 1 1 16 16 LEU N N 16 123.810 123.810 125.358 -1.548 18487 549 1 2 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.308 0.035 18487 550 1 2 . 1 1 16 16 LEU CA C 16 54.640 54.640 54.494 0.146 18487 551 1 2 . 1 1 16 16 LEU CB C 16 42.062 42.062 42.426 -0.364 18487 552 1 2 . 1 1 16 16 LEU H H 16 8.254 8.254 8.577 -0.323 18487 553 1 2 . 1 1 17 17 ILE N N 17 122.996 122.996 123.049 -0.053 18487 554 1 2 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.387 -0.233 18487 555 1 2 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.665 -0.451 18487 556 1 2 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.064 0.720 18487 557 1 2 . 1 1 17 17 ILE H H 17 8.006 8.006 8.196 -0.190 18487 558 1 2 . 1 1 18 18 HIS N N 18 126.123 126.123 127.299 -1.176 18487 559 1 2 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.732 0.113 18487 560 1 2 . 1 1 18 18 HIS CA C 18 55.205 55.205 55.026 0.179 18487 561 1 2 . 1 1 18 18 HIS CB C 18 30.197 30.197 31.867 -1.670 18487 562 1 2 . 1 1 18 18 HIS H H 18 9.025 9.025 8.408 0.617 18487 563 1 2 . 1 1 19 19 ILE N N 19 124.783 124.783 121.701 3.082 18487 564 1 2 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.879 0.111 18487 565 1 2 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.804 -1.296 18487 566 1 2 . 1 1 19 19 ILE CB C 19 38.350 38.350 40.094 -1.744 18487 567 1 2 . 1 1 19 19 ILE H H 19 8.485 8.485 8.417 0.068 18487 568 1 2 . 1 1 20 20 LYS N N 20 128.184 128.184 127.922 0.262 18487 569 1 2 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.660 0.099 18487 570 1 2 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.942 -0.813 18487 571 1 2 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.852 0.789 18487 572 1 2 . 1 1 20 20 LYS H H 20 9.253 9.253 8.661 0.592 18487 573 1 2 . 1 1 21 21 THR N N 21 114.649 114.649 121.829 -7.180 18487 574 1 2 . 1 1 21 21 THR HA H 21 4.930 4.930 4.802 0.128 18487 575 1 2 . 1 1 21 21 THR CA C 21 60.191 60.191 60.442 -0.251 18487 576 1 2 . 1 1 21 21 THR CB C 21 69.966 69.966 69.031 0.935 18487 577 1 2 . 1 1 21 21 THR H H 21 8.232 8.232 8.437 -0.204 18487 578 1 2 . 1 1 22 22 LEU N N 22 125.973 125.973 130.146 -4.173 18487 579 1 2 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.611 0.068 18487 580 1 2 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.517 0.236 18487 581 1 2 . 1 1 22 22 LEU CB C 22 45.134 45.134 44.044 1.089 18487 582 1 2 . 1 1 22 22 LEU H H 22 9.156 9.156 8.326 0.830 18487 583 1 2 . 1 1 23 23 THR N N 23 112.582 112.582 113.091 -0.509 18487 584 1 2 . 1 1 23 23 THR HA H 23 4.281 4.281 4.326 -0.045 18487 585 1 2 . 1 1 23 23 THR CA C 23 61.474 61.474 61.433 0.041 18487 586 1 2 . 1 1 23 23 THR CB C 23 69.759 69.759 69.783 -0.024 18487 587 1 2 . 1 1 23 23 THR H H 23 7.912 7.912 8.342 -0.430 18487 588 1 2 . 1 1 24 24 THR N N 24 112.952 112.952 112.805 0.147 18487 589 1 2 . 1 1 24 24 THR HA H 24 5.040 5.040 4.747 0.293 18487 590 1 2 . 1 1 24 24 THR CA C 24 60.000 60.000 58.449 1.551 18487 591 1 2 . 1 1 24 24 THR CB C 24 69.872 69.872 70.323 -0.451 18487 592 1 2 . 1 1 24 24 THR H H 24 8.793 8.793 8.222 0.571 18487 593 1 2 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.283 0.162 18487 594 1 2 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.951 0.371 18487 595 1 2 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.968 -0.389 18487 596 1 2 . 1 1 26 26 ASN N N 26 115.534 115.534 118.805 -3.271 18487 597 1 2 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.799 0.136 18487 598 1 2 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.296 -1.259 18487 599 1 2 . 1 1 26 26 ASN CB C 26 39.722 39.722 39.647 0.075 18487 600 1 2 . 1 1 26 26 ASN H H 26 7.774 7.774 7.962 -0.188 18487 601 1 2 . 1 1 27 27 GLU N N 27 127.099 127.099 124.393 2.706 18487 602 1 2 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.356 0.054 18487 603 1 2 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.064 0.894 18487 604 1 2 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.592 -0.487 18487 605 1 2 . 1 1 27 27 GLU H H 27 9.428 9.428 8.850 0.578 18487 606 1 2 . 1 1 28 28 ASN N N 28 115.176 115.176 118.428 -3.252 18487 607 1 2 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.474 0.512 18487 608 1 2 . 1 1 28 28 ASN CA C 28 53.784 53.784 55.934 -2.150 18487 609 1 2 . 1 1 28 28 ASN CB C 28 38.545 38.545 39.093 -0.548 18487 610 1 2 . 1 1 28 28 ASN H H 28 8.591 8.591 8.573 0.018 18487 611 1 2 . 1 1 29 29 ALA N N 29 123.317 123.317 121.466 1.851 18487 612 1 2 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.192 1.184 18487 613 1 2 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.399 -0.089 18487 614 1 2 . 1 1 29 29 ALA CB C 29 22.158 22.158 20.825 1.333 18487 615 1 2 . 1 1 29 29 ALA H H 29 8.210 8.210 7.738 0.472 18487 616 1 2 . 1 1 30 30 LEU N N 30 124.426 124.426 123.437 0.989 18487 617 1 2 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.347 0.161 18487 618 1 2 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.989 -1.329 18487 619 1 2 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.447 0.104 18487 620 1 2 . 1 1 30 30 LEU H H 30 8.550 8.550 8.229 0.321 18487 621 1 2 . 1 1 31 31 LYS N N 31 123.555 123.555 127.007 -3.452 18487 622 1 2 . 1 1 31 31 LYS HA H 31 5.139 5.139 5.086 0.053 18487 623 1 2 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.336 -0.253 18487 624 1 2 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.463 1.708 18487 625 1 2 . 1 1 31 31 LYS H H 31 8.169 8.169 8.167 0.002 18487 626 1 2 . 1 1 32 32 PHE N N 32 124.529 124.529 125.537 -1.008 18487 627 1 2 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.743 0.232 18487 628 1 2 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.103 -0.629 18487 629 1 2 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.325 -0.248 18487 630 1 2 . 1 1 32 32 PHE H H 32 9.634 9.634 8.835 0.799 18487 631 1 2 . 1 1 33 33 LEU N N 33 122.712 122.712 126.230 -3.518 18487 632 1 2 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.944 0.120 18487 633 1 2 . 1 1 33 33 LEU CA C 33 54.387 54.387 52.861 1.526 18487 634 1 2 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.896 -0.070 18487 635 1 2 . 1 1 33 33 LEU H H 33 9.174 9.174 8.957 0.217 18487 636 1 2 . 1 1 34 34 SER N N 34 117.120 117.120 121.907 -4.787 18487 637 1 2 . 1 1 34 34 SER HA H 34 5.116 5.116 4.587 0.529 18487 638 1 2 . 1 1 34 34 SER CA C 34 56.626 56.626 58.712 -2.086 18487 639 1 2 . 1 1 34 34 SER CB C 34 64.053 64.053 63.157 0.896 18487 640 1 2 . 1 1 34 34 SER H H 34 8.979 8.979 8.638 0.341 18487 641 1 2 . 1 1 35 35 THR N N 35 117.097 117.097 121.327 -4.230 18487 642 1 2 . 1 1 35 35 THR HA H 35 4.460 4.460 4.498 -0.038 18487 643 1 2 . 1 1 35 35 THR CA C 35 62.944 62.944 62.949 -0.005 18487 644 1 2 . 1 1 35 35 THR CB C 35 69.779 69.779 68.842 0.937 18487 645 1 2 . 1 1 35 35 THR H H 35 8.646 8.646 8.465 0.181 18487 646 1 2 . 1 1 36 36 ASP N N 36 120.039 120.039 122.193 -2.154 18487 647 1 2 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.803 0.052 18487 648 1 2 . 1 1 36 36 ASP CA C 36 54.741 54.741 52.106 2.635 18487 649 1 2 . 1 1 36 36 ASP CB C 36 41.519 41.519 43.117 -1.598 18487 650 1 2 . 1 1 36 36 ASP H H 36 8.711 8.711 7.777 0.934 18487 651 1 2 . 1 1 37 37 GLY N N 37 107.015 107.015 107.970 -0.955 18487 652 1 2 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.645 -0.016 18487 653 1 2 . 1 1 37 37 GLY H H 37 8.020 8.020 8.399 -0.379 18487 654 1 2 . 1 1 38 38 GLU N N 38 120.021 120.021 118.860 1.161 18487 655 1 2 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.474 -0.196 18487 656 1 2 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.829 1.314 18487 657 1 2 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.984 -1.667 18487 658 1 2 . 1 1 38 38 GLU H H 38 8.101 8.101 7.777 0.324 18487 659 1 2 . 1 1 39 39 MET N N 39 121.372 121.372 120.207 1.165 18487 660 1 2 . 1 1 39 39 MET HA H 39 4.799 4.799 4.842 -0.043 18487 661 1 2 . 1 1 39 39 MET CA C 39 54.229 54.229 54.557 -0.328 18487 662 1 2 . 1 1 39 39 MET CB C 39 33.392 33.392 35.539 -2.147 18487 663 1 2 . 1 1 39 39 MET H H 39 8.571 8.571 8.560 0.011 18487 664 1 2 . 1 1 40 40 LEU N N 40 121.913 121.913 121.450 0.463 18487 665 1 2 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.227 0.032 18487 666 1 2 . 1 1 40 40 LEU CA C 40 57.144 57.144 57.223 -0.079 18487 667 1 2 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.408 0.018 18487 668 1 2 . 1 1 40 40 LEU H H 40 8.572 8.572 8.612 -0.040 18487 669 1 2 . 1 1 41 41 GLN N N 41 114.647 114.647 116.342 -1.695 18487 670 1 2 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.506 0.162 18487 671 1 2 . 1 1 41 41 GLN CA C 41 54.397 54.397 55.733 -1.336 18487 672 1 2 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.084 4.206 18487 673 1 2 . 1 1 41 41 GLN H H 41 8.420 8.420 7.591 0.829 18487 674 1 2 . 1 1 42 42 THR N N 42 111.706 111.706 112.255 -0.549 18487 675 1 2 . 1 1 42 42 THR HA H 42 4.038 4.038 4.334 -0.296 18487 676 1 2 . 1 1 42 42 THR CA C 42 63.082 63.082 61.807 1.275 18487 677 1 2 . 1 1 42 42 THR CB C 42 69.264 69.264 69.858 -0.594 18487 678 1 2 . 1 1 42 42 THR H H 42 8.205 8.205 7.786 0.419 18487 679 1 2 . 1 1 43 43 ARG N N 43 126.367 126.367 128.407 -2.040 18487 680 1 2 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.103 0.046 18487 681 1 2 . 1 1 43 43 ARG CA C 43 57.433 57.433 56.098 1.335 18487 682 1 2 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.549 -0.622 18487 683 1 2 . 1 1 43 43 ARG H H 43 8.885 8.885 8.838 0.047 18487 684 1 2 . 1 1 44 44 GLY N N 44 116.299 116.299 116.652 -0.353 18487 685 1 2 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.075 -0.199 18487 686 1 2 . 1 1 44 44 GLY H H 44 9.999 9.999 8.959 1.040 18487 687 1 2 . 1 1 45 45 SER N N 45 117.374 117.374 115.830 1.544 18487 688 1 2 . 1 1 45 45 SER HA H 45 4.316 4.316 4.782 -0.466 18487 689 1 2 . 1 1 45 45 SER CA C 45 59.967 59.967 57.080 2.887 18487 690 1 2 . 1 1 45 45 SER CB C 45 63.866 63.866 65.374 -1.508 18487 691 1 2 . 1 1 45 45 SER H H 45 8.034 8.034 8.358 -0.324 18487 692 1 2 . 1 1 46 46 LYS N N 46 124.024 124.024 122.934 1.090 18487 693 1 2 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.494 -0.237 18487 694 1 2 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.719 0.583 18487 695 1 2 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.201 -0.524 18487 696 1 2 . 1 1 46 46 LYS H H 46 8.560 8.560 8.416 0.144 18487 697 1 2 . 1 1 47 47 SER N N 47 119.851 119.851 119.270 0.581 18487 698 1 2 . 1 1 47 47 SER HA H 47 4.824 4.824 4.731 0.093 18487 699 1 2 . 1 1 47 47 SER CA C 47 57.920 57.920 57.772 0.148 18487 700 1 2 . 1 1 47 47 SER CB C 47 63.770 63.770 62.452 1.318 18487 701 1 2 . 1 1 47 47 SER H H 47 8.663 8.663 8.616 0.047 18487 702 1 2 . 1 1 48 48 ILE N N 48 124.054 124.054 126.335 -2.281 18487 703 1 2 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.949 0.408 18487 704 1 2 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.581 -1.470 18487 705 1 2 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.606 3.491 18487 706 1 2 . 1 1 48 48 ILE H H 48 8.619 8.619 7.740 0.879 18487 707 1 2 . 1 1 49 49 VAL N N 49 128.260 128.260 129.218 -0.958 18487 708 1 2 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.780 -0.048 18487 709 1 2 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.898 0.114 18487 710 1 2 . 1 1 49 49 VAL CB C 49 32.611 32.611 32.024 0.587 18487 711 1 2 . 1 1 49 49 VAL H H 49 8.498 8.498 8.276 0.222 18487 712 1 2 . 1 1 50 50 ILE N N 50 127.715 127.715 130.405 -2.690 18487 713 1 2 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.347 0.156 18487 714 1 2 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.330 1.160 18487 715 1 2 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.611 1.852 18487 716 1 2 . 1 1 50 50 ILE H H 50 9.236 9.236 9.038 0.198 18487 717 1 2 . 1 1 51 51 LYS N N 51 127.422 127.422 127.610 -0.188 18487 718 1 2 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.681 -0.021 18487 719 1 2 . 1 1 51 51 LYS CA C 51 55.550 55.550 56.478 -0.928 18487 720 1 2 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.496 0.447 18487 721 1 2 . 1 1 51 51 LYS H H 51 9.673 9.673 8.304 1.369 18487 722 1 2 . 1 1 52 52 ASN N N 52 117.981 117.981 120.290 -2.309 18487 723 1 2 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.707 -0.959 18487 724 1 2 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.059 0.108 18487 725 1 2 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.507 -1.123 18487 726 1 2 . 1 1 52 52 ASN H H 52 8.119 8.119 9.082 -0.963 18487 727 1 2 . 1 1 53 53 THR N N 53 105.425 105.425 109.249 -3.824 18487 728 1 2 . 1 1 53 53 THR HA H 53 4.218 4.218 4.167 0.051 18487 729 1 2 . 1 1 53 53 THR CA C 53 60.619 60.619 63.812 -3.193 18487 730 1 2 . 1 1 53 53 THR CB C 53 69.221 69.221 68.808 0.413 18487 731 1 2 . 1 1 53 53 THR H H 53 6.908 6.908 8.128 -1.220 18487 732 1 2 . 1 1 54 54 ASP N N 54 125.547 125.547 124.657 0.890 18487 733 1 2 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.817 0.149 18487 734 1 2 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.404 -0.891 18487 735 1 2 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.558 0.398 18487 736 1 2 . 1 1 54 54 ASP H H 54 7.811 7.811 7.696 0.115 18487 737 1 2 . 1 1 55 55 GLU N N 55 123.946 123.946 123.773 0.173 18487 738 1 2 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.846 -0.023 18487 739 1 2 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.852 0.272 18487 740 1 2 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.882 0.050 18487 741 1 2 . 1 1 55 55 GLU H H 55 7.919 7.919 7.801 0.118 18487 742 1 2 . 1 1 56 56 ASN N N 56 115.295 115.295 117.526 -2.231 18487 743 1 2 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.474 0.080 18487 744 1 2 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.893 0.215 18487 745 1 2 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.328 -0.061 18487 746 1 2 . 1 1 56 56 ASN H H 56 8.728 8.728 8.542 0.186 18487 747 1 2 . 1 1 57 57 LEU N N 57 120.223 120.223 118.257 1.966 18487 748 1 2 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.244 -0.009 18487 749 1 2 . 1 1 57 57 LEU CA C 57 57.589 57.589 56.827 0.763 18487 750 1 2 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.228 0.684 18487 751 1 2 . 1 1 57 57 LEU H H 57 7.621 7.621 7.539 0.082 18487 752 1 2 . 1 1 58 58 ILE N N 58 120.489 120.489 121.151 -0.662 18487 753 1 2 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.872 -0.336 18487 754 1 2 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.946 1.393 18487 755 1 2 . 1 1 58 58 ILE CB C 58 38.393 38.393 38.076 0.317 18487 756 1 2 . 1 1 58 58 ILE H H 58 8.461 8.461 8.241 0.220 18487 757 1 2 . 1 1 59 59 ASN N N 59 114.873 114.873 115.492 -0.619 18487 758 1 2 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.596 -0.118 18487 759 1 2 . 1 1 59 59 ASN CA C 59 54.955 54.955 54.676 0.279 18487 760 1 2 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.061 -0.026 18487 761 1 2 . 1 1 59 59 ASN H H 59 7.958 7.958 8.171 -0.213 18487 762 1 2 . 1 1 60 60 HIS N N 60 115.059 115.059 117.664 -2.605 18487 763 1 2 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.581 0.187 18487 764 1 2 . 1 1 60 60 HIS CA C 60 56.337 56.337 56.824 -0.486 18487 765 1 2 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.957 -1.141 18487 766 1 2 . 1 1 60 60 HIS H H 60 7.633 7.633 7.380 0.253 18487 767 1 2 . 1 1 61 61 SER N N 61 115.447 115.447 113.242 2.205 18487 768 1 2 . 1 1 61 61 SER HA H 61 5.135 5.135 4.759 0.376 18487 769 1 2 . 1 1 61 61 SER CA C 61 56.072 56.072 56.139 -0.067 18487 770 1 2 . 1 1 61 61 SER CB C 61 63.806 63.806 64.590 -0.784 18487 771 1 2 . 1 1 61 61 SER H H 61 7.849 7.849 7.671 0.178 18487 772 1 2 . 1 1 62 62 LYS N N 62 132.090 132.090 127.841 4.249 18487 773 1 2 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.334 -0.290 18487 774 1 2 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.143 0.402 18487 775 1 2 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.218 -0.679 18487 776 1 2 . 1 1 62 62 LYS H H 62 9.021 9.021 8.753 0.268 18487 777 1 2 . 1 1 63 63 LEU N N 63 118.793 118.793 119.222 -0.429 18487 778 1 2 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.979 0.147 18487 779 1 2 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.990 -0.340 18487 780 1 2 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.520 0.259 18487 781 1 2 . 1 1 63 63 LEU H H 63 8.567 8.567 8.141 0.426 18487 782 1 2 . 1 1 64 64 ALA N N 64 118.752 118.752 120.433 -1.681 18487 783 1 2 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.750 -0.130 18487 784 1 2 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.177 -0.120 18487 785 1 2 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.116 0.469 18487 786 1 2 . 1 1 64 64 ALA H H 64 7.645 7.645 7.592 0.053 18487 787 1 2 . 1 1 65 65 GLN N N 65 115.176 115.176 117.554 -2.378 18487 788 1 2 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.973 -0.027 18487 789 1 2 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.303 -0.046 18487 790 1 2 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.617 -0.017 18487 791 1 2 . 1 1 65 65 GLN H H 65 8.539 8.539 7.769 0.770 18487 792 1 2 . 1 1 66 66 GLN N N 66 115.801 115.801 118.087 -2.286 18487 793 1 2 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.163 -0.097 18487 794 1 2 . 1 1 66 66 GLN CA C 66 58.560 58.560 57.936 0.624 18487 795 1 2 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.365 1.132 18487 796 1 2 . 1 1 66 66 GLN H H 66 8.125 8.125 7.886 0.239 18487 797 1 2 . 1 1 67 67 ILE N N 67 119.874 119.874 120.969 -1.095 18487 798 1 2 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.589 -0.252 18487 799 1 2 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.419 0.624 18487 800 1 2 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.629 -0.711 18487 801 1 2 . 1 1 67 67 ILE H H 67 8.281 8.281 8.089 0.192 18487 802 1 2 . 1 1 68 68 PHE N N 68 114.873 114.873 117.656 -2.783 18487 803 1 2 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.559 -0.064 18487 804 1 2 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.777 -0.086 18487 805 1 2 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.340 -0.692 18487 806 1 2 . 1 1 68 68 PHE H H 68 8.255 8.255 8.121 0.134 18487 807 1 2 . 1 1 69 69 LEU N N 69 117.763 117.763 120.698 -2.935 18487 808 1 2 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.076 0.219 18487 809 1 2 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.829 -0.493 18487 810 1 2 . 1 1 69 69 LEU CB C 69 43.128 43.128 41.994 1.134 18487 811 1 2 . 1 1 69 69 LEU H H 69 7.747 7.747 7.783 -0.036 18487 812 1 2 . 1 1 70 70 GLN N N 70 115.040 115.040 117.179 -2.139 18487 813 1 2 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.148 0.164 18487 814 1 2 . 1 1 70 70 GLN CA C 70 57.230 57.230 58.257 -1.027 18487 815 1 2 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.798 0.224 18487 816 1 2 . 1 1 70 70 GLN H H 70 8.308 8.308 8.399 -0.091 18487 817 1 2 . 1 1 71 71 CYS N N 71 115.881 115.881 117.663 -1.782 18487 818 1 2 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.862 0.096 18487 819 1 2 . 1 1 71 71 CYS CA C 71 55.401 55.401 56.294 -0.893 18487 820 1 2 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.764 -1.029 18487 821 1 2 . 1 1 71 71 CYS H H 71 8.242 8.242 7.926 0.316 18487 822 1 2 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.691 -0.128 18487 823 1 2 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.523 0.486 18487 824 1 2 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.146 -0.735 18487 825 1 2 . 1 1 73 73 GLY N N 73 106.975 106.975 107.229 -0.254 18487 826 1 2 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.368 0.910 18487 827 1 2 . 1 1 73 73 GLY H H 73 8.657 8.657 8.408 0.249 18487 828 1 2 . 1 1 74 74 VAL N N 74 119.448 119.448 119.931 -0.483 18487 829 1 2 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.070 -0.090 18487 830 1 2 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.518 1.283 18487 831 1 2 . 1 1 74 74 VAL CB C 74 31.500 31.500 32.891 -1.391 18487 832 1 2 . 1 1 74 74 VAL H H 74 7.747 7.747 7.248 0.499 18487 833 1 2 . 1 1 75 75 GLU N N 75 129.063 129.063 125.637 3.426 18487 834 1 2 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.450 0.017 18487 835 1 2 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.980 0.049 18487 836 1 2 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.542 0.070 18487 837 1 2 . 1 1 75 75 GLU H H 75 8.994 8.994 8.606 0.388 18487 838 1 2 . 1 1 76 76 SER N N 76 110.068 110.068 110.645 -0.577 18487 839 1 2 . 1 1 76 76 SER HA H 76 5.283 5.283 5.402 -0.119 18487 840 1 2 . 1 1 76 76 SER CA C 76 57.395 57.395 57.666 -0.272 18487 841 1 2 . 1 1 76 76 SER CB C 76 65.281 65.281 66.655 -1.374 18487 842 1 2 . 1 1 76 76 SER H H 76 8.306 8.306 8.468 -0.162 18487 843 1 2 . 1 1 77 77 LEU N N 77 117.334 117.334 120.816 -3.482 18487 844 1 2 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.006 0.395 18487 845 1 2 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.031 -0.450 18487 846 1 2 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.242 0.931 18487 847 1 2 . 1 1 77 77 LEU H H 77 9.250 9.250 8.894 0.356 18487 848 1 2 . 1 1 78 78 MET N N 78 121.119 121.119 124.914 -3.795 18487 849 1 2 . 1 1 78 78 MET HA H 78 5.367 5.367 5.070 0.297 18487 850 1 2 . 1 1 78 78 MET CA C 78 53.966 53.966 53.961 0.005 18487 851 1 2 . 1 1 78 78 MET CB C 78 36.374 36.374 34.953 1.421 18487 852 1 2 . 1 1 78 78 MET H H 78 9.333 9.333 9.090 0.243 18487 853 1 2 . 1 1 79 79 ILE N N 79 127.512 127.512 127.615 -0.103 18487 854 1 2 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.294 -0.302 18487 855 1 2 . 1 1 79 79 ILE CA C 79 61.626 61.626 58.674 2.952 18487 856 1 2 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.232 2.155 18487 857 1 2 . 1 1 79 79 ILE H H 79 9.396 9.396 8.321 1.075 18487 858 1 2 . 1 1 80 80 GLY N N 80 117.437 117.437 113.281 4.156 18487 859 1 2 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.016 0.594 18487 860 1 2 . 1 1 80 80 GLY H H 80 7.916 7.916 7.590 0.326 18487 861 1 2 . 1 1 81 81 ASP N N 81 118.860 118.860 118.802 0.058 18487 862 1 2 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.511 0.162 18487 863 1 2 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.193 -3.159 18487 864 1 2 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.210 -1.536 18487 865 1 2 . 1 1 81 81 ASP H H 81 7.983 7.983 8.441 -0.458 18487 866 1 2 . 1 1 82 82 ASP N N 82 118.682 118.682 115.987 2.695 18487 867 1 2 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.666 0.153 18487 868 1 2 . 1 1 82 82 ASP CA C 82 52.138 52.138 56.277 -4.139 18487 869 1 2 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.630 -0.636 18487 870 1 2 . 1 1 82 82 ASP H H 82 9.164 9.164 8.530 0.634 18487 871 1 2 . 1 1 83 83 PHE N N 83 110.898 110.898 115.580 -4.682 18487 872 1 2 . 1 1 83 83 PHE HA H 83 5.850 5.850 4.910 0.940 18487 873 1 2 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.837 -0.872 18487 874 1 2 . 1 1 83 83 PHE CB C 83 42.746 42.746 40.912 1.834 18487 875 1 2 . 1 1 83 83 PHE H H 83 6.887 6.887 7.555 -0.668 18487 876 1 2 . 1 1 84 84 LEU N N 84 121.119 121.119 119.820 1.299 18487 877 1 2 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.026 0.207 18487 878 1 2 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.539 -0.573 18487 879 1 2 . 1 1 84 84 LEU CB C 84 47.408 47.408 46.517 0.891 18487 880 1 2 . 1 1 84 84 LEU H H 84 9.118 9.118 8.603 0.515 18487 881 1 2 . 1 1 85 85 THR N N 85 125.430 125.430 122.815 2.615 18487 882 1 2 . 1 1 85 85 THR HA H 85 5.639 5.639 5.092 0.547 18487 883 1 2 . 1 1 85 85 THR CA C 85 61.743 61.743 62.074 -0.331 18487 884 1 2 . 1 1 85 85 THR CB C 85 69.835 69.835 70.187 -0.352 18487 885 1 2 . 1 1 85 85 THR H H 85 9.780 9.780 9.014 0.766 18487 886 1 2 . 1 1 86 86 ILE N N 86 126.778 126.778 128.460 -1.682 18487 887 1 2 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.372 0.339 18487 888 1 2 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.709 -2.004 18487 889 1 2 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.430 1.914 18487 890 1 2 . 1 1 86 86 ILE H H 86 9.151 9.151 8.960 0.191 18487 891 1 2 . 1 1 87 87 ASN N N 87 124.785 124.785 127.945 -3.160 18487 892 1 2 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.460 0.566 18487 893 1 2 . 1 1 87 87 ASN CA C 87 52.032 52.032 51.999 0.033 18487 894 1 2 . 1 1 87 87 ASN CB C 87 39.679 39.679 39.588 0.091 18487 895 1 2 . 1 1 87 87 ASN H H 87 8.680 8.680 8.845 -0.165 18487 896 1 2 . 1 1 88 88 LYS N N 88 122.617 122.617 122.614 0.003 18487 897 1 2 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.528 0.711 18487 898 1 2 . 1 1 88 88 LYS CA C 88 53.514 53.514 54.188 -0.674 18487 899 1 2 . 1 1 88 88 LYS CB C 88 36.255 36.255 33.888 2.367 18487 900 1 2 . 1 1 88 88 LYS H H 88 9.361 9.361 8.324 1.037 18487 901 1 2 . 1 1 89 89 ASP N N 89 121.211 121.211 120.218 0.993 18487 902 1 2 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.553 -0.092 18487 903 1 2 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.374 -0.479 18487 904 1 2 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.706 0.038 18487 905 1 2 . 1 1 89 89 ASP H H 89 8.454 8.454 8.218 0.236 18487 906 1 2 . 1 1 90 90 ARG N N 90 124.551 124.551 126.282 -1.731 18487 907 1 2 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.288 -0.214 18487 908 1 2 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.337 -0.227 18487 909 1 2 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.494 0.401 18487 910 1 2 . 1 1 90 90 ARG H H 90 8.475 8.475 8.754 -0.279 18487 911 1 2 . 1 1 91 91 MET N N 91 115.821 115.821 117.300 -1.479 18487 912 1 2 . 1 1 91 91 MET HA H 91 4.424 4.424 4.303 0.121 18487 913 1 2 . 1 1 91 91 MET CA C 91 55.206 55.206 56.531 -1.325 18487 914 1 2 . 1 1 91 91 MET CB C 91 31.307 31.307 33.066 -1.759 18487 915 1 2 . 1 1 91 91 MET H H 91 8.725 8.725 7.811 0.914 18487 916 1 2 . 1 1 92 92 VAL N N 92 119.922 119.922 118.082 1.840 18487 917 1 2 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.078 0.028 18487 918 1 2 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.361 -0.303 18487 919 1 2 . 1 1 92 92 VAL CB C 92 33.144 33.144 33.150 -0.006 18487 920 1 2 . 1 1 92 92 VAL H H 92 7.348 7.348 7.331 0.017 18487 921 1 2 . 1 1 93 93 HIS N N 93 125.619 125.619 122.667 2.952 18487 922 1 2 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.688 -0.092 18487 923 1 2 . 1 1 93 93 HIS CA C 93 55.394 55.394 54.962 0.432 18487 924 1 2 . 1 1 93 93 HIS CB C 93 31.658 31.658 33.230 -1.572 18487 925 1 2 . 1 1 93 93 HIS H H 93 8.851 8.851 8.415 0.436 18487 926 1 2 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.435 0.565 18487 927 1 2 . 1 1 94 94 TRP CA C 94 60.000 60.000 58.969 1.031 18487 928 1 2 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.589 0.411 18487 929 1 2 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.509 0.188 18487 930 1 2 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.652 0.375 18487 931 1 2 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.449 -1.298 18487 932 1 2 . 1 1 96 96 SER N N 96 113.047 113.047 113.277 -0.230 18487 933 1 2 . 1 1 96 96 SER HA H 96 4.628 4.628 4.451 0.177 18487 934 1 2 . 1 1 96 96 SER CA C 96 60.183 60.183 60.768 -0.585 18487 935 1 2 . 1 1 96 96 SER CB C 96 63.901 63.901 64.460 -0.559 18487 936 1 2 . 1 1 96 96 SER H H 96 8.064 8.064 7.670 0.394 18487 937 1 2 . 1 1 97 97 ILE N N 97 116.621 116.621 123.191 -6.570 18487 938 1 2 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.067 0.575 18487 939 1 2 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.891 -1.113 18487 940 1 2 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.528 3.899 18487 941 1 2 . 1 1 97 97 ILE H H 97 7.705 7.705 7.617 0.088 18487 942 1 2 . 1 1 98 98 LYS N N 98 120.198 120.198 120.065 0.133 18487 943 1 2 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.220 0.037 18487 944 1 2 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.236 0.477 18487 945 1 2 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.234 0.739 18487 946 1 2 . 1 1 98 98 LYS H H 98 9.132 9.132 8.445 0.687 18487 947 1 2 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.276 0.008 18487 948 1 2 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.059 0.275 18487 949 1 2 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.988 -0.587 18487 950 1 2 . 1 1 100 100 GLU N N 100 117.097 117.097 118.506 -1.409 18487 951 1 2 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.057 0.095 18487 952 1 2 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.073 -0.254 18487 953 1 2 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.660 0.756 18487 954 1 2 . 1 1 100 100 GLU H H 100 7.447 7.447 7.811 -0.364 18487 955 1 2 . 1 1 101 101 ILE N N 101 118.326 118.326 120.334 -2.008 18487 956 1 2 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.461 -0.097 18487 957 1 2 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.418 -2.057 18487 958 1 2 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.481 -1.632 18487 959 1 2 . 1 1 101 101 ILE H H 101 7.896 7.896 7.459 0.437 18487 960 1 2 . 1 1 102 102 ILE N N 102 118.368 118.368 119.427 -1.059 18487 961 1 2 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.394 0.014 18487 962 1 2 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.799 0.448 18487 963 1 2 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.415 -0.175 18487 964 1 2 . 1 1 102 102 ILE H H 102 8.243 8.243 8.159 0.084 18487 965 1 2 . 1 1 103 103 ASP N N 103 122.381 122.381 120.306 2.075 18487 966 1 2 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.240 0.138 18487 967 1 2 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.652 0.330 18487 968 1 2 . 1 1 103 103 ASP CB C 103 41.534 41.534 41.175 0.359 18487 969 1 2 . 1 1 103 103 ASP H H 103 7.900 7.900 7.712 0.188 18487 970 1 2 . 1 1 104 104 LEU N N 104 119.007 119.007 120.322 -1.315 18487 971 1 2 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.927 0.071 18487 972 1 2 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.680 0.059 18487 973 1 2 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.929 0.213 18487 974 1 2 . 1 1 104 104 LEU H H 104 8.261 8.261 7.685 0.576 18487 975 1 2 . 1 1 105 105 LEU N N 105 120.443 120.443 118.728 1.715 18487 976 1 2 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.068 -0.081 18487 977 1 2 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.003 -0.502 18487 978 1 2 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.346 0.741 18487 979 1 2 . 1 1 105 105 LEU H H 105 9.022 9.022 8.178 0.844 18487 980 1 2 . 1 1 106 106 THR N N 106 114.821 114.821 114.749 0.072 18487 981 1 2 . 1 1 106 106 THR HA H 106 3.698 3.698 3.994 -0.296 18487 982 1 2 . 1 1 106 106 THR CA C 106 67.610 67.610 66.389 1.221 18487 983 1 2 . 1 1 106 106 THR CB C 106 68.325 68.325 68.666 -0.341 18487 984 1 2 . 1 1 106 106 THR H H 106 8.273 8.273 7.604 0.669 18487 985 1 2 . 1 1 107 107 LYS N N 107 120.049 120.049 120.470 -0.421 18487 986 1 2 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.868 0.039 18487 987 1 2 . 1 1 107 107 LYS CA C 107 59.455 59.455 57.893 1.562 18487 988 1 2 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.816 0.546 18487 989 1 2 . 1 1 107 107 LYS H H 107 7.691 7.691 7.470 0.221 18487 990 1 2 . 1 1 108 108 GLN N N 108 118.375 118.375 119.622 -1.247 18487 991 1 2 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.119 -0.101 18487 992 1 2 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.989 -1.006 18487 993 1 2 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.549 -0.894 18487 994 1 2 . 1 1 108 108 GLN H H 108 7.888 7.888 7.910 -0.022 18487 995 1 2 . 1 1 109 109 LEU N N 109 118.066 118.066 118.855 -0.789 18487 996 1 2 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.408 -0.226 18487 997 1 2 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.719 -0.253 18487 998 1 2 . 1 1 109 109 LEU CB C 109 41.810 41.810 42.078 -0.268 18487 999 1 2 . 1 1 109 109 LEU H H 109 8.269 8.269 7.546 0.723 18487 1000 1 2 . 1 1 110 110 ALA N N 110 120.909 120.909 116.604 4.305 18487 1001 1 2 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.134 -0.102 18487 1002 1 2 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.198 1.042 18487 1003 1 2 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.249 0.418 18487 1004 1 2 . 1 1 110 110 ALA H H 110 8.171 8.171 7.111 1.060 18487 1005 1 2 . 1 1 111 111 TYR N N 111 114.611 114.611 117.376 -2.765 18487 1006 1 2 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.481 0.161 18487 1007 1 2 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.308 -0.381 18487 1008 1 2 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.300 0.172 18487 1009 1 2 . 1 1 111 111 TYR H H 111 7.763 7.763 7.671 0.092 18487 1010 1 2 . 1 1 112 112 GLY N N 112 107.916 107.916 106.116 1.800 18487 1011 1 2 . 1 1 112 112 GLY CA C 112 46.208 46.208 44.927 1.281 18487 1012 1 2 . 1 1 112 112 GLY H H 112 7.941 7.941 7.667 0.274 18487 1013 1 2 . 1 1 113 113 GLU N N 113 119.571 119.571 121.693 -2.122 18487 1014 1 2 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.602 -0.212 18487 1015 1 2 . 1 1 113 113 GLU CA C 113 56.025 56.025 55.038 0.987 18487 1016 1 2 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.260 -0.857 18487 1017 1 2 . 1 1 113 113 GLU H H 113 8.166 8.166 8.188 -0.022 18487 1018 1 2 . 1 1 114 114 ASP N N 114 121.457 121.457 117.947 3.510 18487 1019 1 2 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.821 -0.196 18487 1020 1 2 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.490 1.585 18487 1021 1 2 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.979 -1.982 18487 1022 1 2 . 1 1 114 114 ASP H H 114 8.560 8.560 8.384 0.176 18487 1023 1 2 . 1 1 115 115 VAL N N 115 120.645 120.645 119.524 1.121 18487 1024 1 2 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.931 0.148 18487 1025 1 2 . 1 1 115 115 VAL CA C 115 63.518 63.518 65.257 -1.739 18487 1026 1 2 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.478 -0.645 18487 1027 1 2 . 1 1 115 115 VAL H H 115 8.659 8.659 7.900 0.759 18487 1028 1 2 . 1 1 116 116 ILE N N 116 120.775 120.775 113.857 6.918 18487 1029 1 2 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.166 0.497 18487 1030 1 2 . 1 1 116 116 ILE CA C 116 59.736 59.736 58.942 0.794 18487 1031 1 2 . 1 1 116 116 ILE CB C 116 39.798 39.798 41.856 -2.058 18487 1032 1 2 . 1 1 116 116 ILE H H 116 7.881 7.881 7.577 0.304 18487 1033 1 2 . 1 1 117 117 SER N N 117 121.192 121.192 120.887 0.305 18487 1034 1 2 . 1 1 117 117 SER HA H 117 4.641 4.641 4.372 0.269 18487 1035 1 2 . 1 1 117 117 SER CA C 117 57.846 57.846 58.217 -0.371 18487 1036 1 2 . 1 1 117 117 SER CB C 117 63.962 63.962 61.818 2.144 18487 1037 1 2 . 1 1 117 117 SER H H 117 8.767 8.767 8.381 0.386 18487 1038 1 2 . 1 1 118 118 LYS N N 118 124.317 124.317 125.660 -1.343 18487 1039 1 2 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.259 0.097 18487 1040 1 2 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.645 0.892 18487 1041 1 2 . 1 1 118 118 LYS CB C 118 33.050 33.050 31.268 1.782 18487 1042 1 2 . 1 1 118 118 LYS H H 118 8.633 8.633 7.971 0.662 18487 1043 1 3 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.808 -0.128 18487 1044 1 3 . 1 1 11 11 MET N N 11 120.918 120.918 123.759 -2.841 18487 1045 1 3 . 1 1 11 11 MET HA H 11 4.435 4.435 4.851 -0.416 18487 1046 1 3 . 1 1 11 11 MET CA C 11 55.736 55.736 55.644 0.092 18487 1047 1 3 . 1 1 11 11 MET CB C 11 32.501 32.501 34.288 -1.787 18487 1048 1 3 . 1 1 11 11 MET H H 11 8.289 8.289 8.578 -0.289 18487 1049 1 3 . 1 1 12 12 ASN N N 12 120.356 120.356 122.882 -2.526 18487 1050 1 3 . 1 1 12 12 ASN HA H 12 4.758 4.758 5.223 -0.465 18487 1051 1 3 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.893 0.595 18487 1052 1 3 . 1 1 12 12 ASN CB C 12 38.576 38.576 40.536 -1.960 18487 1053 1 3 . 1 1 12 12 ASN H H 12 8.583 8.583 8.710 -0.127 18487 1054 1 3 . 1 1 13 13 SER N N 13 116.582 116.582 116.925 -0.343 18487 1055 1 3 . 1 1 13 13 SER HA H 13 4.378 4.378 4.633 -0.255 18487 1056 1 3 . 1 1 13 13 SER CA C 13 58.842 58.842 58.196 0.646 18487 1057 1 3 . 1 1 13 13 SER CB C 13 63.403 63.403 64.294 -0.891 18487 1058 1 3 . 1 1 13 13 SER H H 13 8.319 8.319 8.391 -0.072 18487 1059 1 3 . 1 1 14 14 GLN N N 14 121.369 121.369 123.494 -2.125 18487 1060 1 3 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.507 -0.189 18487 1061 1 3 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.840 0.259 18487 1062 1 3 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.952 -1.008 18487 1063 1 3 . 1 1 14 14 GLN H H 14 8.365 8.365 8.515 -0.150 18487 1064 1 3 . 1 1 15 15 ARG N N 15 121.565 121.565 122.683 -1.118 18487 1065 1 3 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.795 -0.481 18487 1066 1 3 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.591 0.297 18487 1067 1 3 . 1 1 15 15 ARG CB C 15 30.427 30.427 31.159 -0.732 18487 1068 1 3 . 1 1 15 15 ARG H H 15 8.084 8.084 8.526 -0.442 18487 1069 1 3 . 1 1 16 16 LEU N N 16 123.810 123.810 118.927 4.883 18487 1070 1 3 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.597 -0.254 18487 1071 1 3 . 1 1 16 16 LEU CA C 16 54.640 54.640 52.796 1.844 18487 1072 1 3 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.242 -2.180 18487 1073 1 3 . 1 1 16 16 LEU H H 16 8.254 8.254 8.205 0.049 18487 1074 1 3 . 1 1 17 17 ILE N N 17 122.996 122.996 120.348 2.648 18487 1075 1 3 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.960 0.194 18487 1076 1 3 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.360 -0.146 18487 1077 1 3 . 1 1 17 17 ILE CB C 17 38.784 38.784 36.741 2.043 18487 1078 1 3 . 1 1 17 17 ILE H H 17 8.006 8.006 8.192 -0.186 18487 1079 1 3 . 1 1 18 18 HIS N N 18 126.123 126.123 127.697 -1.574 18487 1080 1 3 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.545 0.300 18487 1081 1 3 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.361 -1.156 18487 1082 1 3 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.867 0.330 18487 1083 1 3 . 1 1 18 18 HIS H H 18 9.025 9.025 8.805 0.220 18487 1084 1 3 . 1 1 19 19 ILE N N 19 124.783 124.783 125.347 -0.564 18487 1085 1 3 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.835 0.155 18487 1086 1 3 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.669 -1.161 18487 1087 1 3 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.762 -0.412 18487 1088 1 3 . 1 1 19 19 ILE H H 19 8.485 8.485 8.586 -0.101 18487 1089 1 3 . 1 1 20 20 LYS N N 20 128.184 128.184 128.690 -0.506 18487 1090 1 3 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.560 0.199 18487 1091 1 3 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.993 -0.864 18487 1092 1 3 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.498 1.143 18487 1093 1 3 . 1 1 20 20 LYS H H 20 9.253 9.253 8.787 0.466 18487 1094 1 3 . 1 1 21 21 THR N N 21 114.649 114.649 122.362 -7.713 18487 1095 1 3 . 1 1 21 21 THR HA H 21 4.930 4.930 4.230 0.700 18487 1096 1 3 . 1 1 21 21 THR CA C 21 60.191 60.191 62.527 -2.336 18487 1097 1 3 . 1 1 21 21 THR CB C 21 69.966 69.966 68.476 1.490 18487 1098 1 3 . 1 1 21 21 THR H H 21 8.232 8.232 8.458 -0.226 18487 1099 1 3 . 1 1 22 22 LEU N N 22 125.973 125.973 128.414 -2.441 18487 1100 1 3 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.681 -0.002 18487 1101 1 3 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.396 0.357 18487 1102 1 3 . 1 1 22 22 LEU CB C 22 45.134 45.134 44.960 0.174 18487 1103 1 3 . 1 1 22 22 LEU H H 22 9.156 9.156 8.625 0.531 18487 1104 1 3 . 1 1 23 23 THR N N 23 112.582 112.582 113.251 -0.669 18487 1105 1 3 . 1 1 23 23 THR HA H 23 4.281 4.281 4.339 -0.058 18487 1106 1 3 . 1 1 23 23 THR CA C 23 61.474 61.474 61.468 0.006 18487 1107 1 3 . 1 1 23 23 THR CB C 23 69.759 69.759 69.734 0.025 18487 1108 1 3 . 1 1 23 23 THR H H 23 7.912 7.912 8.251 -0.339 18487 1109 1 3 . 1 1 24 24 THR N N 24 112.952 112.952 115.727 -2.775 18487 1110 1 3 . 1 1 24 24 THR HA H 24 5.040 5.040 4.685 0.355 18487 1111 1 3 . 1 1 24 24 THR CA C 24 60.000 60.000 58.573 1.427 18487 1112 1 3 . 1 1 24 24 THR CB C 24 69.872 69.872 69.156 0.716 18487 1113 1 3 . 1 1 24 24 THR H H 24 8.793 8.793 8.455 0.338 18487 1114 1 3 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.468 -0.023 18487 1115 1 3 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.499 0.823 18487 1116 1 3 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.880 -0.300 18487 1117 1 3 . 1 1 26 26 ASN N N 26 115.534 115.534 119.571 -4.037 18487 1118 1 3 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.949 -0.014 18487 1119 1 3 . 1 1 26 26 ASN CA C 26 51.037 51.037 51.970 -0.933 18487 1120 1 3 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.730 -1.008 18487 1121 1 3 . 1 1 26 26 ASN H H 26 7.774 7.774 7.783 -0.009 18487 1122 1 3 . 1 1 27 27 GLU N N 27 127.099 127.099 121.814 5.285 18487 1123 1 3 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.158 0.252 18487 1124 1 3 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.980 -0.022 18487 1125 1 3 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.642 -0.537 18487 1126 1 3 . 1 1 27 27 GLU H H 27 9.428 9.428 8.934 0.494 18487 1127 1 3 . 1 1 28 28 ASN N N 28 115.176 115.176 116.619 -1.443 18487 1128 1 3 . 1 1 28 28 ASN HA H 28 4.986 4.986 5.001 -0.015 18487 1129 1 3 . 1 1 28 28 ASN CA C 28 53.784 53.784 52.408 1.376 18487 1130 1 3 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.176 0.368 18487 1131 1 3 . 1 1 28 28 ASN H H 28 8.591 8.591 8.489 0.102 18487 1132 1 3 . 1 1 29 29 ALA N N 29 123.317 123.317 122.352 0.965 18487 1133 1 3 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.783 0.593 18487 1134 1 3 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.095 0.215 18487 1135 1 3 . 1 1 29 29 ALA CB C 29 22.158 22.158 22.476 -0.317 18487 1136 1 3 . 1 1 29 29 ALA H H 29 8.210 8.210 7.511 0.699 18487 1137 1 3 . 1 1 30 30 LEU N N 30 124.426 124.426 124.855 -0.429 18487 1138 1 3 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.392 0.116 18487 1139 1 3 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.074 -0.414 18487 1140 1 3 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.968 0.583 18487 1141 1 3 . 1 1 30 30 LEU H H 30 8.550 8.550 8.168 0.382 18487 1142 1 3 . 1 1 31 31 LYS N N 31 123.555 123.555 127.048 -3.493 18487 1143 1 3 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.728 0.411 18487 1144 1 3 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.394 -0.311 18487 1145 1 3 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.327 1.844 18487 1146 1 3 . 1 1 31 31 LYS H H 31 8.169 8.169 8.223 -0.054 18487 1147 1 3 . 1 1 32 32 PHE N N 32 124.529 124.529 126.052 -1.523 18487 1148 1 3 . 1 1 32 32 PHE HA H 32 4.975 4.975 5.195 -0.220 18487 1149 1 3 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.852 -0.379 18487 1150 1 3 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.111 -0.034 18487 1151 1 3 . 1 1 32 32 PHE H H 32 9.634 9.634 8.973 0.661 18487 1152 1 3 . 1 1 33 33 LEU N N 33 122.712 122.712 125.982 -3.270 18487 1153 1 3 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.025 0.039 18487 1154 1 3 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.181 1.206 18487 1155 1 3 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.208 0.618 18487 1156 1 3 . 1 1 33 33 LEU H H 33 9.174 9.174 8.962 0.212 18487 1157 1 3 . 1 1 34 34 SER N N 34 117.120 117.120 124.373 -7.253 18487 1158 1 3 . 1 1 34 34 SER HA H 34 5.116 5.116 4.796 0.320 18487 1159 1 3 . 1 1 34 34 SER CA C 34 56.626 56.626 59.635 -3.009 18487 1160 1 3 . 1 1 34 34 SER CB C 34 64.053 64.053 63.052 1.001 18487 1161 1 3 . 1 1 34 34 SER H H 34 8.979 8.979 8.791 0.188 18487 1162 1 3 . 1 1 35 35 THR N N 35 117.097 117.097 120.176 -3.079 18487 1163 1 3 . 1 1 35 35 THR HA H 35 4.460 4.460 4.289 0.171 18487 1164 1 3 . 1 1 35 35 THR CA C 35 62.944 62.944 64.102 -1.157 18487 1165 1 3 . 1 1 35 35 THR CB C 35 69.779 69.779 69.358 0.421 18487 1166 1 3 . 1 1 35 35 THR H H 35 8.646 8.646 8.580 0.066 18487 1167 1 3 . 1 1 36 36 ASP N N 36 120.039 120.039 120.356 -0.317 18487 1168 1 3 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.613 0.242 18487 1169 1 3 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.040 -0.299 18487 1170 1 3 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.383 0.136 18487 1171 1 3 . 1 1 36 36 ASP H H 36 8.711 8.711 8.117 0.594 18487 1172 1 3 . 1 1 37 37 GLY N N 37 107.015 107.015 106.683 0.332 18487 1173 1 3 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.972 0.657 18487 1174 1 3 . 1 1 37 37 GLY H H 37 8.020 8.020 8.137 -0.117 18487 1175 1 3 . 1 1 38 38 GLU N N 38 120.021 120.021 124.208 -4.187 18487 1176 1 3 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.316 -0.038 18487 1177 1 3 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.336 0.807 18487 1178 1 3 . 1 1 38 38 GLU CB C 38 29.317 29.317 28.991 0.325 18487 1179 1 3 . 1 1 38 38 GLU H H 38 8.101 8.101 8.387 -0.286 18487 1180 1 3 . 1 1 39 39 MET N N 39 121.372 121.372 121.012 0.360 18487 1181 1 3 . 1 1 39 39 MET HA H 39 4.799 4.799 4.566 0.233 18487 1182 1 3 . 1 1 39 39 MET CA C 39 54.229 54.229 54.904 -0.675 18487 1183 1 3 . 1 1 39 39 MET CB C 39 33.392 33.392 34.264 -0.872 18487 1184 1 3 . 1 1 39 39 MET H H 39 8.571 8.571 8.274 0.297 18487 1185 1 3 . 1 1 40 40 LEU N N 40 121.913 121.913 120.482 1.431 18487 1186 1 3 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.607 -0.348 18487 1187 1 3 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.813 0.331 18487 1188 1 3 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.472 -0.046 18487 1189 1 3 . 1 1 40 40 LEU H H 40 8.572 8.572 8.377 0.195 18487 1190 1 3 . 1 1 41 41 GLN N N 41 114.647 114.647 114.346 0.301 18487 1191 1 3 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.572 0.096 18487 1192 1 3 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.419 -0.022 18487 1193 1 3 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.021 4.269 18487 1194 1 3 . 1 1 41 41 GLN H H 41 8.420 8.420 7.504 0.916 18487 1195 1 3 . 1 1 42 42 THR N N 42 111.706 111.706 113.579 -1.873 18487 1196 1 3 . 1 1 42 42 THR HA H 42 4.038 4.038 4.243 -0.205 18487 1197 1 3 . 1 1 42 42 THR CA C 42 63.082 63.082 62.415 0.667 18487 1198 1 3 . 1 1 42 42 THR CB C 42 69.264 69.264 69.418 -0.154 18487 1199 1 3 . 1 1 42 42 THR H H 42 8.205 8.205 8.223 -0.018 18487 1200 1 3 . 1 1 43 43 ARG N N 43 126.367 126.367 119.784 6.583 18487 1201 1 3 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.330 -0.181 18487 1202 1 3 . 1 1 43 43 ARG CA C 43 57.433 57.433 55.495 1.938 18487 1203 1 3 . 1 1 43 43 ARG CB C 43 28.927 28.927 31.803 -2.877 18487 1204 1 3 . 1 1 43 43 ARG H H 43 8.885 8.885 8.074 0.811 18487 1205 1 3 . 1 1 44 44 GLY N N 44 116.299 116.299 112.635 3.664 18487 1206 1 3 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.411 -0.535 18487 1207 1 3 . 1 1 44 44 GLY H H 44 9.999 9.999 8.675 1.324 18487 1208 1 3 . 1 1 45 45 SER N N 45 117.374 117.374 116.620 0.754 18487 1209 1 3 . 1 1 45 45 SER HA H 45 4.316 4.316 4.472 -0.156 18487 1210 1 3 . 1 1 45 45 SER CA C 45 59.967 59.967 58.587 1.379 18487 1211 1 3 . 1 1 45 45 SER CB C 45 63.866 63.866 64.548 -0.682 18487 1212 1 3 . 1 1 45 45 SER H H 45 8.034 8.034 8.018 0.016 18487 1213 1 3 . 1 1 46 46 LYS N N 46 124.024 124.024 123.544 0.480 18487 1214 1 3 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.385 -0.128 18487 1215 1 3 . 1 1 46 46 LYS CA C 46 56.302 56.302 56.338 -0.036 18487 1216 1 3 . 1 1 46 46 LYS CB C 46 32.677 32.677 32.790 -0.113 18487 1217 1 3 . 1 1 46 46 LYS H H 46 8.560 8.560 8.262 0.298 18487 1218 1 3 . 1 1 47 47 SER N N 47 119.851 119.851 117.084 2.767 18487 1219 1 3 . 1 1 47 47 SER HA H 47 4.824 4.824 4.646 0.178 18487 1220 1 3 . 1 1 47 47 SER CA C 47 57.920 57.920 58.711 -0.791 18487 1221 1 3 . 1 1 47 47 SER CB C 47 63.770 63.770 62.709 1.061 18487 1222 1 3 . 1 1 47 47 SER H H 47 8.663 8.663 8.582 0.081 18487 1223 1 3 . 1 1 48 48 ILE N N 48 124.054 124.054 127.407 -3.353 18487 1224 1 3 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.013 0.344 18487 1225 1 3 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.561 -1.449 18487 1226 1 3 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.494 3.603 18487 1227 1 3 . 1 1 48 48 ILE H H 48 8.619 8.619 7.988 0.631 18487 1228 1 3 . 1 1 49 49 VAL N N 49 128.260 128.260 129.091 -0.831 18487 1229 1 3 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.819 -0.087 18487 1230 1 3 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.825 0.187 18487 1231 1 3 . 1 1 49 49 VAL CB C 49 32.611 32.611 32.068 0.543 18487 1232 1 3 . 1 1 49 49 VAL H H 49 8.498 8.498 8.257 0.241 18487 1233 1 3 . 1 1 50 50 ILE N N 50 127.715 127.715 130.240 -2.525 18487 1234 1 3 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.418 0.085 18487 1235 1 3 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.264 1.226 18487 1236 1 3 . 1 1 50 50 ILE CB C 50 40.463 40.463 39.266 1.197 18487 1237 1 3 . 1 1 50 50 ILE H H 50 9.236 9.236 8.889 0.347 18487 1238 1 3 . 1 1 51 51 LYS N N 51 127.422 127.422 127.115 0.307 18487 1239 1 3 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.882 -0.222 18487 1240 1 3 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.742 -0.192 18487 1241 1 3 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.604 0.339 18487 1242 1 3 . 1 1 51 51 LYS H H 51 9.673 9.673 8.044 1.629 18487 1243 1 3 . 1 1 52 52 ASN N N 52 117.981 117.981 119.516 -1.535 18487 1244 1 3 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.384 -0.636 18487 1245 1 3 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.200 -0.033 18487 1246 1 3 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.797 -1.414 18487 1247 1 3 . 1 1 52 52 ASN H H 52 8.119 8.119 8.626 -0.507 18487 1248 1 3 . 1 1 53 53 THR N N 53 105.425 105.425 110.015 -4.590 18487 1249 1 3 . 1 1 53 53 THR HA H 53 4.218 4.218 4.102 0.116 18487 1250 1 3 . 1 1 53 53 THR CA C 53 60.619 60.619 63.983 -3.364 18487 1251 1 3 . 1 1 53 53 THR CB C 53 69.221 69.221 68.798 0.423 18487 1252 1 3 . 1 1 53 53 THR H H 53 6.908 6.908 8.099 -1.191 18487 1253 1 3 . 1 1 54 54 ASP N N 54 125.547 125.547 124.440 1.107 18487 1254 1 3 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.694 0.272 18487 1255 1 3 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.747 -1.234 18487 1256 1 3 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.715 0.241 18487 1257 1 3 . 1 1 54 54 ASP H H 54 7.811 7.811 7.499 0.312 18487 1258 1 3 . 1 1 55 55 GLU N N 55 123.946 123.946 124.005 -0.059 18487 1259 1 3 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.836 -0.013 18487 1260 1 3 . 1 1 55 55 GLU CA C 55 60.124 60.124 60.095 0.029 18487 1261 1 3 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.924 0.008 18487 1262 1 3 . 1 1 55 55 GLU H H 55 7.919 7.919 7.845 0.074 18487 1263 1 3 . 1 1 56 56 ASN N N 56 115.295 115.295 118.080 -2.785 18487 1264 1 3 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.523 0.031 18487 1265 1 3 . 1 1 56 56 ASN CA C 56 56.108 56.108 56.077 0.031 18487 1266 1 3 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.718 0.549 18487 1267 1 3 . 1 1 56 56 ASN H H 56 8.728 8.728 8.678 0.050 18487 1268 1 3 . 1 1 57 57 LEU N N 57 120.223 120.223 118.794 1.429 18487 1269 1 3 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.147 0.088 18487 1270 1 3 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.789 -0.200 18487 1271 1 3 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.862 1.050 18487 1272 1 3 . 1 1 57 57 LEU H H 57 7.621 7.621 7.533 0.088 18487 1273 1 3 . 1 1 58 58 ILE N N 58 120.489 120.489 118.757 1.732 18487 1274 1 3 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.811 -0.275 18487 1275 1 3 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.643 1.696 18487 1276 1 3 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.950 0.443 18487 1277 1 3 . 1 1 58 58 ILE H H 58 8.461 8.461 7.211 1.250 18487 1278 1 3 . 1 1 59 59 ASN N N 59 114.873 114.873 116.561 -1.688 18487 1279 1 3 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.350 0.128 18487 1280 1 3 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.806 -0.851 18487 1281 1 3 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.254 -0.219 18487 1282 1 3 . 1 1 59 59 ASN H H 59 7.958 7.958 8.296 -0.338 18487 1283 1 3 . 1 1 60 60 HIS N N 60 115.059 115.059 117.314 -2.255 18487 1284 1 3 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.601 0.167 18487 1285 1 3 . 1 1 60 60 HIS CA C 60 56.337 56.337 58.188 -1.851 18487 1286 1 3 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.781 -0.965 18487 1287 1 3 . 1 1 60 60 HIS H H 60 7.633 7.633 7.530 0.103 18487 1288 1 3 . 1 1 61 61 SER N N 61 115.447 115.447 116.451 -1.004 18487 1289 1 3 . 1 1 61 61 SER HA H 61 5.135 5.135 4.506 0.629 18487 1290 1 3 . 1 1 61 61 SER CA C 61 56.072 56.072 58.907 -2.835 18487 1291 1 3 . 1 1 61 61 SER CB C 61 63.806 63.806 62.696 1.110 18487 1292 1 3 . 1 1 61 61 SER H H 61 7.849 7.849 8.018 -0.169 18487 1293 1 3 . 1 1 62 62 LYS N N 62 132.090 132.090 128.790 3.300 18487 1294 1 3 . 1 1 62 62 LYS HA H 62 4.044 4.044 3.918 0.126 18487 1295 1 3 . 1 1 62 62 LYS CA C 62 59.545 59.545 60.018 -0.473 18487 1296 1 3 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.543 -1.004 18487 1297 1 3 . 1 1 62 62 LYS H H 62 9.021 9.021 8.014 1.007 18487 1298 1 3 . 1 1 63 63 LEU N N 63 118.793 118.793 119.687 -0.894 18487 1299 1 3 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.078 0.048 18487 1300 1 3 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.374 0.276 18487 1301 1 3 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.400 0.379 18487 1302 1 3 . 1 1 63 63 LEU H H 63 8.567 8.567 8.043 0.524 18487 1303 1 3 . 1 1 64 64 ALA N N 64 118.752 118.752 120.648 -1.896 18487 1304 1 3 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.648 -0.028 18487 1305 1 3 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.092 -0.035 18487 1306 1 3 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.203 0.383 18487 1307 1 3 . 1 1 64 64 ALA H H 64 7.645 7.645 8.383 -0.738 18487 1308 1 3 . 1 1 65 65 GLN N N 65 115.176 115.176 117.846 -2.670 18487 1309 1 3 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.909 0.037 18487 1310 1 3 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.324 -0.067 18487 1311 1 3 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.504 0.096 18487 1312 1 3 . 1 1 65 65 GLN H H 65 8.539 8.539 7.907 0.632 18487 1313 1 3 . 1 1 66 66 GLN N N 66 115.801 115.801 118.468 -2.667 18487 1314 1 3 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.064 0.002 18487 1315 1 3 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.498 0.062 18487 1316 1 3 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.407 1.090 18487 1317 1 3 . 1 1 66 66 GLN H H 66 8.125 8.125 7.621 0.504 18487 1318 1 3 . 1 1 67 67 ILE N N 67 119.874 119.874 119.830 0.044 18487 1319 1 3 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.585 -0.248 18487 1320 1 3 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.263 0.780 18487 1321 1 3 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.660 -0.742 18487 1322 1 3 . 1 1 67 67 ILE H H 67 8.281 8.281 7.950 0.331 18487 1323 1 3 . 1 1 68 68 PHE N N 68 114.873 114.873 117.743 -2.870 18487 1324 1 3 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.548 -0.053 18487 1325 1 3 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.197 0.494 18487 1326 1 3 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.228 -0.581 18487 1327 1 3 . 1 1 68 68 PHE H H 68 8.255 8.255 7.756 0.499 18487 1328 1 3 . 1 1 69 69 LEU N N 69 117.763 117.763 120.525 -2.762 18487 1329 1 3 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.016 0.279 18487 1330 1 3 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.865 -0.529 18487 1331 1 3 . 1 1 69 69 LEU CB C 69 43.128 43.128 41.985 1.143 18487 1332 1 3 . 1 1 69 69 LEU H H 69 7.747 7.747 7.918 -0.171 18487 1333 1 3 . 1 1 70 70 GLN N N 70 115.040 115.040 116.841 -1.801 18487 1334 1 3 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.192 0.120 18487 1335 1 3 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.800 -0.570 18487 1336 1 3 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.092 -0.070 18487 1337 1 3 . 1 1 70 70 GLN H H 70 8.308 8.308 8.064 0.244 18487 1338 1 3 . 1 1 71 71 CYS N N 71 115.881 115.881 118.084 -2.203 18487 1339 1 3 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.869 0.089 18487 1340 1 3 . 1 1 71 71 CYS CA C 71 55.401 55.401 56.227 -0.826 18487 1341 1 3 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.757 -1.022 18487 1342 1 3 . 1 1 71 71 CYS H H 71 8.242 8.242 7.910 0.332 18487 1343 1 3 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.679 -0.116 18487 1344 1 3 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.488 0.521 18487 1345 1 3 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.286 -0.875 18487 1346 1 3 . 1 1 73 73 GLY N N 73 106.975 106.975 107.178 -0.203 18487 1347 1 3 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.479 0.799 18487 1348 1 3 . 1 1 73 73 GLY H H 73 8.657 8.657 8.425 0.232 18487 1349 1 3 . 1 1 74 74 VAL N N 74 119.448 119.448 120.734 -1.286 18487 1350 1 3 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.022 -0.042 18487 1351 1 3 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.405 0.396 18487 1352 1 3 . 1 1 74 74 VAL CB C 74 31.500 31.500 32.102 -0.602 18487 1353 1 3 . 1 1 74 74 VAL H H 74 7.747 7.747 7.241 0.506 18487 1354 1 3 . 1 1 75 75 GLU N N 75 129.063 129.063 126.590 2.473 18487 1355 1 3 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.300 0.167 18487 1356 1 3 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.237 -0.207 18487 1357 1 3 . 1 1 75 75 GLU CB C 75 31.612 31.612 30.927 0.685 18487 1358 1 3 . 1 1 75 75 GLU H H 75 8.994 8.994 8.567 0.427 18487 1359 1 3 . 1 1 76 76 SER N N 76 110.068 110.068 110.282 -0.214 18487 1360 1 3 . 1 1 76 76 SER HA H 76 5.283 5.283 5.481 -0.198 18487 1361 1 3 . 1 1 76 76 SER CA C 76 57.395 57.395 57.262 0.133 18487 1362 1 3 . 1 1 76 76 SER CB C 76 65.281 65.281 66.921 -1.640 18487 1363 1 3 . 1 1 76 76 SER H H 76 8.306 8.306 8.140 0.166 18487 1364 1 3 . 1 1 77 77 LEU N N 77 117.334 117.334 120.721 -3.387 18487 1365 1 3 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.772 0.629 18487 1366 1 3 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.036 -0.455 18487 1367 1 3 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.369 0.804 18487 1368 1 3 . 1 1 77 77 LEU H H 77 9.250 9.250 8.824 0.426 18487 1369 1 3 . 1 1 78 78 MET N N 78 121.119 121.119 125.321 -4.202 18487 1370 1 3 . 1 1 78 78 MET HA H 78 5.367 5.367 4.976 0.391 18487 1371 1 3 . 1 1 78 78 MET CA C 78 53.966 53.966 54.156 -0.190 18487 1372 1 3 . 1 1 78 78 MET CB C 78 36.374 36.374 33.777 2.597 18487 1373 1 3 . 1 1 78 78 MET H H 78 9.333 9.333 8.849 0.484 18487 1374 1 3 . 1 1 79 79 ILE N N 79 127.512 127.512 126.960 0.552 18487 1375 1 3 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.172 -0.180 18487 1376 1 3 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.552 2.074 18487 1377 1 3 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.745 1.642 18487 1378 1 3 . 1 1 79 79 ILE H H 79 9.396 9.396 8.312 1.084 18487 1379 1 3 . 1 1 80 80 GLY N N 80 117.437 117.437 113.465 3.972 18487 1380 1 3 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.808 0.802 18487 1381 1 3 . 1 1 80 80 GLY H H 80 7.916 7.916 7.713 0.203 18487 1382 1 3 . 1 1 81 81 ASP N N 81 118.860 118.860 116.382 2.478 18487 1383 1 3 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.514 0.159 18487 1384 1 3 . 1 1 81 81 ASP CA C 81 55.034 55.034 56.544 -1.510 18487 1385 1 3 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.368 -1.694 18487 1386 1 3 . 1 1 81 81 ASP H H 81 7.983 7.983 8.318 -0.335 18487 1387 1 3 . 1 1 82 82 ASP N N 82 118.682 118.682 113.977 4.705 18487 1388 1 3 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.703 0.116 18487 1389 1 3 . 1 1 82 82 ASP CA C 82 52.138 52.138 53.666 -1.528 18487 1390 1 3 . 1 1 82 82 ASP CB C 82 40.994 40.994 40.665 0.329 18487 1391 1 3 . 1 1 82 82 ASP H H 82 9.164 9.164 8.780 0.384 18487 1392 1 3 . 1 1 83 83 PHE N N 83 110.898 110.898 114.701 -3.803 18487 1393 1 3 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.675 0.175 18487 1394 1 3 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.691 -0.726 18487 1395 1 3 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.935 0.811 18487 1396 1 3 . 1 1 83 83 PHE H H 83 6.887 6.887 7.317 -0.430 18487 1397 1 3 . 1 1 84 84 LEU N N 84 121.119 121.119 122.238 -1.119 18487 1398 1 3 . 1 1 84 84 LEU HA H 84 5.233 5.233 4.931 0.302 18487 1399 1 3 . 1 1 84 84 LEU CA C 84 52.966 52.966 54.307 -1.341 18487 1400 1 3 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.323 2.085 18487 1401 1 3 . 1 1 84 84 LEU H H 84 9.118 9.118 8.688 0.430 18487 1402 1 3 . 1 1 85 85 THR N N 85 125.430 125.430 125.386 0.044 18487 1403 1 3 . 1 1 85 85 THR HA H 85 5.639 5.639 4.962 0.677 18487 1404 1 3 . 1 1 85 85 THR CA C 85 61.743 61.743 62.282 -0.539 18487 1405 1 3 . 1 1 85 85 THR CB C 85 69.835 69.835 68.840 0.995 18487 1406 1 3 . 1 1 85 85 THR H H 85 9.780 9.780 8.816 0.964 18487 1407 1 3 . 1 1 86 86 ILE N N 86 126.778 126.778 128.423 -1.645 18487 1408 1 3 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.293 0.418 18487 1409 1 3 . 1 1 86 86 ILE CA C 86 57.705 57.705 60.138 -2.433 18487 1410 1 3 . 1 1 86 86 ILE CB C 86 39.344 39.344 38.446 0.899 18487 1411 1 3 . 1 1 86 86 ILE H H 86 9.151 9.151 8.698 0.453 18487 1412 1 3 . 1 1 87 87 ASN N N 87 124.785 124.785 124.291 0.494 18487 1413 1 3 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.968 0.058 18487 1414 1 3 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.043 -0.011 18487 1415 1 3 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.755 -2.076 18487 1416 1 3 . 1 1 87 87 ASN H H 87 8.680 8.680 8.741 -0.061 18487 1417 1 3 . 1 1 88 88 LYS N N 88 122.617 122.617 122.594 0.023 18487 1418 1 3 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.796 0.443 18487 1419 1 3 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.998 -0.484 18487 1420 1 3 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.594 1.661 18487 1421 1 3 . 1 1 88 88 LYS H H 88 9.361 9.361 7.899 1.462 18487 1422 1 3 . 1 1 89 89 ASP N N 89 121.211 121.211 120.589 0.622 18487 1423 1 3 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.579 -0.118 18487 1424 1 3 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.256 -0.361 18487 1425 1 3 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.024 -0.280 18487 1426 1 3 . 1 1 89 89 ASP H H 89 8.454 8.454 8.489 -0.035 18487 1427 1 3 . 1 1 90 90 ARG N N 90 124.551 124.551 125.299 -0.748 18487 1428 1 3 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.218 -0.144 18487 1429 1 3 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.104 0.005 18487 1430 1 3 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.904 -0.009 18487 1431 1 3 . 1 1 90 90 ARG H H 90 8.475 8.475 8.730 -0.255 18487 1432 1 3 . 1 1 91 91 MET N N 91 115.821 115.821 116.473 -0.652 18487 1433 1 3 . 1 1 91 91 MET HA H 91 4.424 4.424 4.421 0.003 18487 1434 1 3 . 1 1 91 91 MET CA C 91 55.206 55.206 57.189 -1.983 18487 1435 1 3 . 1 1 91 91 MET CB C 91 31.307 31.307 33.399 -2.092 18487 1436 1 3 . 1 1 91 91 MET H H 91 8.725 8.725 7.897 0.828 18487 1437 1 3 . 1 1 92 92 VAL N N 92 119.922 119.922 120.382 -0.460 18487 1438 1 3 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.110 -0.004 18487 1439 1 3 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.273 -0.215 18487 1440 1 3 . 1 1 92 92 VAL CB C 92 33.144 33.144 33.352 -0.208 18487 1441 1 3 . 1 1 92 92 VAL H H 92 7.348 7.348 7.435 -0.087 18487 1442 1 3 . 1 1 93 93 HIS N N 93 125.619 125.619 123.929 1.690 18487 1443 1 3 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.710 -0.114 18487 1444 1 3 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.336 0.058 18487 1445 1 3 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.921 -0.263 18487 1446 1 3 . 1 1 93 93 HIS H H 93 8.851 8.851 8.715 0.136 18487 1447 1 3 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.355 0.645 18487 1448 1 3 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.311 -0.311 18487 1449 1 3 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.711 0.289 18487 1450 1 3 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.602 0.095 18487 1451 1 3 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.520 0.506 18487 1452 1 3 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.498 -1.347 18487 1453 1 3 . 1 1 96 96 SER N N 96 113.047 113.047 115.699 -2.652 18487 1454 1 3 . 1 1 96 96 SER HA H 96 4.628 4.628 4.293 0.335 18487 1455 1 3 . 1 1 96 96 SER CA C 96 60.183 60.183 61.101 -0.918 18487 1456 1 3 . 1 1 96 96 SER CB C 96 63.901 63.901 63.692 0.209 18487 1457 1 3 . 1 1 96 96 SER H H 96 8.064 8.064 7.721 0.343 18487 1458 1 3 . 1 1 97 97 ILE N N 97 116.621 116.621 121.156 -4.535 18487 1459 1 3 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.067 0.575 18487 1460 1 3 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.251 -0.473 18487 1461 1 3 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.318 4.109 18487 1462 1 3 . 1 1 97 97 ILE H H 97 7.705 7.705 7.624 0.081 18487 1463 1 3 . 1 1 98 98 LYS N N 98 120.198 120.198 121.710 -1.512 18487 1464 1 3 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.321 -0.064 18487 1465 1 3 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.065 0.648 18487 1466 1 3 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.028 -0.055 18487 1467 1 3 . 1 1 98 98 LYS H H 98 9.132 9.132 8.707 0.425 18487 1468 1 3 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.375 -0.091 18487 1469 1 3 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.593 0.741 18487 1470 1 3 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.027 -0.626 18487 1471 1 3 . 1 1 100 100 GLU N N 100 117.097 117.097 119.026 -1.929 18487 1472 1 3 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.090 0.062 18487 1473 1 3 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.783 0.036 18487 1474 1 3 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.633 0.783 18487 1475 1 3 . 1 1 100 100 GLU H H 100 7.447 7.447 7.627 -0.180 18487 1476 1 3 . 1 1 101 101 ILE N N 101 118.326 118.326 120.872 -2.546 18487 1477 1 3 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.409 -0.045 18487 1478 1 3 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.594 -2.233 18487 1479 1 3 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.338 -1.489 18487 1480 1 3 . 1 1 101 101 ILE H H 101 7.896 7.896 7.871 0.025 18487 1481 1 3 . 1 1 102 102 ILE N N 102 118.368 118.368 119.534 -1.166 18487 1482 1 3 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.434 -0.026 18487 1483 1 3 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.567 0.679 18487 1484 1 3 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.470 -0.230 18487 1485 1 3 . 1 1 102 102 ILE H H 102 8.243 8.243 7.799 0.444 18487 1486 1 3 . 1 1 103 103 ASP N N 103 122.381 122.381 119.943 2.438 18487 1487 1 3 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.332 0.046 18487 1488 1 3 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.596 0.386 18487 1489 1 3 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.952 0.582 18487 1490 1 3 . 1 1 103 103 ASP H H 103 7.900 7.900 7.723 0.177 18487 1491 1 3 . 1 1 104 104 LEU N N 104 119.007 119.007 119.847 -0.840 18487 1492 1 3 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.938 0.060 18487 1493 1 3 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.837 -0.097 18487 1494 1 3 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.831 0.311 18487 1495 1 3 . 1 1 104 104 LEU H H 104 8.261 8.261 7.883 0.378 18487 1496 1 3 . 1 1 105 105 LEU N N 105 120.443 120.443 118.578 1.865 18487 1497 1 3 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.066 -0.079 18487 1498 1 3 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.293 -0.792 18487 1499 1 3 . 1 1 105 105 LEU CB C 105 42.087 42.087 40.926 1.161 18487 1500 1 3 . 1 1 105 105 LEU H H 105 9.022 9.022 8.386 0.636 18487 1501 1 3 . 1 1 106 106 THR N N 106 114.821 114.821 115.289 -0.468 18487 1502 1 3 . 1 1 106 106 THR HA H 106 3.698 3.698 3.997 -0.299 18487 1503 1 3 . 1 1 106 106 THR CA C 106 67.610 67.610 66.408 1.202 18487 1504 1 3 . 1 1 106 106 THR CB C 106 68.325 68.325 68.368 -0.044 18487 1505 1 3 . 1 1 106 106 THR H H 106 8.273 8.273 7.238 1.035 18487 1506 1 3 . 1 1 107 107 LYS N N 107 120.049 120.049 121.083 -1.034 18487 1507 1 3 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.590 0.317 18487 1508 1 3 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.590 0.865 18487 1509 1 3 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.700 0.662 18487 1510 1 3 . 1 1 107 107 LYS H H 107 7.691 7.691 7.632 0.059 18487 1511 1 3 . 1 1 108 108 GLN N N 108 118.375 118.375 118.697 -0.322 18487 1512 1 3 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.070 -0.052 18487 1513 1 3 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.805 -0.822 18487 1514 1 3 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.771 -1.116 18487 1515 1 3 . 1 1 108 108 GLN H H 108 7.888 7.888 7.896 -0.008 18487 1516 1 3 . 1 1 109 109 LEU N N 109 118.066 118.066 115.774 2.292 18487 1517 1 3 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.181 0.001 18487 1518 1 3 . 1 1 109 109 LEU CA C 109 56.467 56.467 55.400 1.067 18487 1519 1 3 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.486 0.324 18487 1520 1 3 . 1 1 109 109 LEU H H 109 8.269 8.269 7.680 0.589 18487 1521 1 3 . 1 1 110 110 ALA N N 110 120.909 120.909 121.107 -0.198 18487 1522 1 3 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.198 -0.166 18487 1523 1 3 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.068 0.172 18487 1524 1 3 . 1 1 110 110 ALA CB C 110 18.667 18.667 19.234 -0.567 18487 1525 1 3 . 1 1 110 110 ALA H H 110 8.171 8.171 7.427 0.744 18487 1526 1 3 . 1 1 111 111 TYR N N 111 114.611 114.611 117.525 -2.914 18487 1527 1 3 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.674 -0.032 18487 1528 1 3 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.035 -0.108 18487 1529 1 3 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.489 -1.017 18487 1530 1 3 . 1 1 111 111 TYR H H 111 7.763 7.763 7.566 0.197 18487 1531 1 3 . 1 1 112 112 GLY N N 112 107.916 107.916 106.405 1.511 18487 1532 1 3 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.065 1.143 18487 1533 1 3 . 1 1 112 112 GLY H H 112 7.941 7.941 7.871 0.070 18487 1534 1 3 . 1 1 113 113 GLU N N 113 119.571 119.571 122.658 -3.087 18487 1535 1 3 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.129 0.261 18487 1536 1 3 . 1 1 113 113 GLU CA C 113 56.025 56.025 58.181 -2.156 18487 1537 1 3 . 1 1 113 113 GLU CB C 113 30.403 30.403 29.854 0.549 18487 1538 1 3 . 1 1 113 113 GLU H H 113 8.166 8.166 8.578 -0.412 18487 1539 1 3 . 1 1 114 114 ASP N N 114 121.457 121.457 118.288 3.169 18487 1540 1 3 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.831 -0.206 18487 1541 1 3 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.576 0.499 18487 1542 1 3 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.307 -0.310 18487 1543 1 3 . 1 1 114 114 ASP H H 114 8.560 8.560 7.687 0.873 18487 1544 1 3 . 1 1 115 115 VAL N N 115 120.645 120.645 126.725 -6.080 18487 1545 1 3 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.623 0.456 18487 1546 1 3 . 1 1 115 115 VAL CA C 115 63.518 63.518 65.857 -2.339 18487 1547 1 3 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.121 -0.288 18487 1548 1 3 . 1 1 115 115 VAL H H 115 8.659 8.659 8.308 0.351 18487 1549 1 3 . 1 1 116 116 ILE N N 116 120.775 120.775 116.947 3.828 18487 1550 1 3 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.054 0.609 18487 1551 1 3 . 1 1 116 116 ILE CA C 116 59.736 59.736 63.378 -3.642 18487 1552 1 3 . 1 1 116 116 ILE CB C 116 39.798 39.798 38.681 1.117 18487 1553 1 3 . 1 1 116 116 ILE H H 116 7.881 7.881 7.752 0.129 18487 1554 1 3 . 1 1 117 117 SER N N 117 121.192 121.192 116.081 5.111 18487 1555 1 3 . 1 1 117 117 SER HA H 117 4.641 4.641 4.474 0.167 18487 1556 1 3 . 1 1 117 117 SER CA C 117 57.846 57.846 59.527 -1.681 18487 1557 1 3 . 1 1 117 117 SER CB C 117 63.962 63.962 64.018 -0.056 18487 1558 1 3 . 1 1 117 117 SER H H 117 8.767 8.767 8.288 0.479 18487 1559 1 3 . 1 1 118 118 LYS N N 118 124.317 124.317 118.979 5.338 18487 1560 1 3 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.548 -0.192 18487 1561 1 3 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.242 1.294 18487 1562 1 3 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.219 0.831 18487 1563 1 3 . 1 1 118 118 LYS H H 118 8.633 8.633 8.261 0.372 18487 1564 1 4 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.510 0.170 18487 1565 1 4 . 1 1 11 11 MET N N 11 120.918 120.918 126.358 -5.440 18487 1566 1 4 . 1 1 11 11 MET HA H 11 4.435 4.435 4.255 0.180 18487 1567 1 4 . 1 1 11 11 MET CA C 11 55.736 55.736 54.691 1.045 18487 1568 1 4 . 1 1 11 11 MET CB C 11 32.501 32.501 31.908 0.593 18487 1569 1 4 . 1 1 11 11 MET H H 11 8.289 8.289 8.109 0.180 18487 1570 1 4 . 1 1 12 12 ASN N N 12 120.356 120.356 122.615 -2.259 18487 1571 1 4 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.480 0.278 18487 1572 1 4 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.707 0.781 18487 1573 1 4 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.185 -0.609 18487 1574 1 4 . 1 1 12 12 ASN H H 12 8.583 8.583 8.308 0.275 18487 1575 1 4 . 1 1 13 13 SER N N 13 116.582 116.582 116.232 0.350 18487 1576 1 4 . 1 1 13 13 SER HA H 13 4.378 4.378 4.393 -0.015 18487 1577 1 4 . 1 1 13 13 SER CA C 13 58.842 58.842 57.107 1.735 18487 1578 1 4 . 1 1 13 13 SER CB C 13 63.403 63.403 63.000 0.403 18487 1579 1 4 . 1 1 13 13 SER H H 13 8.319 8.319 8.475 -0.156 18487 1580 1 4 . 1 1 14 14 GLN N N 14 121.369 121.369 126.503 -5.134 18487 1581 1 4 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.207 0.111 18487 1582 1 4 . 1 1 14 14 GLN CA C 14 56.099 56.099 56.233 -0.134 18487 1583 1 4 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.666 0.278 18487 1584 1 4 . 1 1 14 14 GLN H H 14 8.365 8.365 8.744 -0.379 18487 1585 1 4 . 1 1 15 15 ARG N N 15 121.565 121.565 126.547 -4.982 18487 1586 1 4 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.618 -0.304 18487 1587 1 4 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.149 -0.261 18487 1588 1 4 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.936 -0.510 18487 1589 1 4 . 1 1 15 15 ARG H H 15 8.084 8.084 8.349 -0.265 18487 1590 1 4 . 1 1 16 16 LEU N N 16 123.810 123.810 118.713 5.097 18487 1591 1 4 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.891 -0.548 18487 1592 1 4 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.724 0.916 18487 1593 1 4 . 1 1 16 16 LEU CB C 16 42.062 42.062 45.153 -3.091 18487 1594 1 4 . 1 1 16 16 LEU H H 16 8.254 8.254 8.097 0.157 18487 1595 1 4 . 1 1 17 17 ILE N N 17 122.996 122.996 121.557 1.439 18487 1596 1 4 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.120 0.034 18487 1597 1 4 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.731 -0.517 18487 1598 1 4 . 1 1 17 17 ILE CB C 17 38.784 38.784 37.556 1.228 18487 1599 1 4 . 1 1 17 17 ILE H H 17 8.006 8.006 8.308 -0.302 18487 1600 1 4 . 1 1 18 18 HIS N N 18 126.123 126.123 128.406 -2.283 18487 1601 1 4 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.498 0.347 18487 1602 1 4 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.746 -1.541 18487 1603 1 4 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.352 -0.155 18487 1604 1 4 . 1 1 18 18 HIS H H 18 9.025 9.025 8.350 0.675 18487 1605 1 4 . 1 1 19 19 ILE N N 19 124.783 124.783 126.811 -2.028 18487 1606 1 4 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.671 0.319 18487 1607 1 4 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.309 -0.801 18487 1608 1 4 . 1 1 19 19 ILE CB C 19 38.350 38.350 40.473 -2.123 18487 1609 1 4 . 1 1 19 19 ILE H H 19 8.485 8.485 8.134 0.351 18487 1610 1 4 . 1 1 20 20 LYS N N 20 128.184 128.184 128.367 -0.183 18487 1611 1 4 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.577 0.182 18487 1612 1 4 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.808 -0.679 18487 1613 1 4 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.674 0.967 18487 1614 1 4 . 1 1 20 20 LYS H H 20 9.253 9.253 8.583 0.670 18487 1615 1 4 . 1 1 21 21 THR N N 21 114.649 114.649 122.583 -7.934 18487 1616 1 4 . 1 1 21 21 THR HA H 21 4.930 4.930 4.470 0.460 18487 1617 1 4 . 1 1 21 21 THR CA C 21 60.191 60.191 62.775 -2.584 18487 1618 1 4 . 1 1 21 21 THR CB C 21 69.966 69.966 68.889 1.077 18487 1619 1 4 . 1 1 21 21 THR H H 21 8.232 8.232 8.504 -0.272 18487 1620 1 4 . 1 1 22 22 LEU N N 22 125.973 125.973 129.976 -4.003 18487 1621 1 4 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.652 0.027 18487 1622 1 4 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.402 0.351 18487 1623 1 4 . 1 1 22 22 LEU CB C 22 45.134 45.134 44.600 0.534 18487 1624 1 4 . 1 1 22 22 LEU H H 22 9.156 9.156 8.604 0.552 18487 1625 1 4 . 1 1 23 23 THR N N 23 112.582 112.582 112.447 0.135 18487 1626 1 4 . 1 1 23 23 THR HA H 23 4.281 4.281 4.348 -0.067 18487 1627 1 4 . 1 1 23 23 THR CA C 23 61.474 61.474 61.562 -0.088 18487 1628 1 4 . 1 1 23 23 THR CB C 23 69.759 69.759 69.635 0.124 18487 1629 1 4 . 1 1 23 23 THR H H 23 7.912 7.912 8.220 -0.308 18487 1630 1 4 . 1 1 24 24 THR N N 24 112.952 112.952 115.249 -2.297 18487 1631 1 4 . 1 1 24 24 THR HA H 24 5.040 5.040 4.659 0.381 18487 1632 1 4 . 1 1 24 24 THR CA C 24 60.000 60.000 58.220 1.780 18487 1633 1 4 . 1 1 24 24 THR CB C 24 69.872 69.872 69.720 0.152 18487 1634 1 4 . 1 1 24 24 THR H H 24 8.793 8.793 8.238 0.555 18487 1635 1 4 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.508 -0.063 18487 1636 1 4 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.203 1.119 18487 1637 1 4 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.464 0.116 18487 1638 1 4 . 1 1 26 26 ASN N N 26 115.534 115.534 118.827 -3.293 18487 1639 1 4 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.876 0.059 18487 1640 1 4 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.050 -1.014 18487 1641 1 4 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.973 -1.251 18487 1642 1 4 . 1 1 26 26 ASN H H 26 7.774 7.774 7.475 0.299 18487 1643 1 4 . 1 1 27 27 GLU N N 27 127.099 127.099 120.618 6.481 18487 1644 1 4 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.269 0.141 18487 1645 1 4 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.696 0.262 18487 1646 1 4 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.125 -1.020 18487 1647 1 4 . 1 1 27 27 GLU H H 27 9.428 9.428 8.838 0.590 18487 1648 1 4 . 1 1 28 28 ASN N N 28 115.176 115.176 119.206 -4.030 18487 1649 1 4 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.856 0.130 18487 1650 1 4 . 1 1 28 28 ASN CA C 28 53.784 53.784 55.302 -1.518 18487 1651 1 4 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.616 -0.071 18487 1652 1 4 . 1 1 28 28 ASN H H 28 8.591 8.591 8.303 0.288 18487 1653 1 4 . 1 1 29 29 ALA N N 29 123.317 123.317 120.684 2.633 18487 1654 1 4 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.433 0.943 18487 1655 1 4 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.170 0.140 18487 1656 1 4 . 1 1 29 29 ALA CB C 29 22.158 22.158 20.834 1.323 18487 1657 1 4 . 1 1 29 29 ALA H H 29 8.210 8.210 7.828 0.382 18487 1658 1 4 . 1 1 30 30 LEU N N 30 124.426 124.426 123.308 1.118 18487 1659 1 4 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.273 0.235 18487 1660 1 4 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.278 -0.618 18487 1661 1 4 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.058 0.493 18487 1662 1 4 . 1 1 30 30 LEU H H 30 8.550 8.550 8.357 0.193 18487 1663 1 4 . 1 1 31 31 LYS N N 31 123.555 123.555 124.923 -1.368 18487 1664 1 4 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.705 0.434 18487 1665 1 4 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.278 -0.195 18487 1666 1 4 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.998 1.173 18487 1667 1 4 . 1 1 31 31 LYS H H 31 8.169 8.169 7.882 0.287 18487 1668 1 4 . 1 1 32 32 PHE N N 32 124.529 124.529 124.581 -0.052 18487 1669 1 4 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.894 0.081 18487 1670 1 4 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.840 -0.366 18487 1671 1 4 . 1 1 32 32 PHE CB C 32 40.077 40.077 41.595 -1.518 18487 1672 1 4 . 1 1 32 32 PHE H H 32 9.634 9.634 9.100 0.534 18487 1673 1 4 . 1 1 33 33 LEU N N 33 122.712 122.712 125.403 -2.691 18487 1674 1 4 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.032 0.032 18487 1675 1 4 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.139 1.248 18487 1676 1 4 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.366 0.460 18487 1677 1 4 . 1 1 33 33 LEU H H 33 9.174 9.174 9.092 0.082 18487 1678 1 4 . 1 1 34 34 SER N N 34 117.120 117.120 124.007 -6.887 18487 1679 1 4 . 1 1 34 34 SER HA H 34 5.116 5.116 4.548 0.568 18487 1680 1 4 . 1 1 34 34 SER CA C 34 56.626 56.626 59.460 -2.834 18487 1681 1 4 . 1 1 34 34 SER CB C 34 64.053 64.053 62.762 1.291 18487 1682 1 4 . 1 1 34 34 SER H H 34 8.979 8.979 9.063 -0.084 18487 1683 1 4 . 1 1 35 35 THR N N 35 117.097 117.097 121.946 -4.849 18487 1684 1 4 . 1 1 35 35 THR HA H 35 4.460 4.460 4.475 -0.015 18487 1685 1 4 . 1 1 35 35 THR CA C 35 62.944 62.944 63.487 -0.543 18487 1686 1 4 . 1 1 35 35 THR CB C 35 69.779 69.779 69.378 0.401 18487 1687 1 4 . 1 1 35 35 THR H H 35 8.646 8.646 8.489 0.157 18487 1688 1 4 . 1 1 36 36 ASP N N 36 120.039 120.039 123.109 -3.070 18487 1689 1 4 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.716 0.139 18487 1690 1 4 . 1 1 36 36 ASP CA C 36 54.741 54.741 53.482 1.259 18487 1691 1 4 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.868 -0.349 18487 1692 1 4 . 1 1 36 36 ASP H H 36 8.711 8.711 7.641 1.070 18487 1693 1 4 . 1 1 37 37 GLY N N 37 107.015 107.015 106.549 0.466 18487 1694 1 4 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.344 0.284 18487 1695 1 4 . 1 1 37 37 GLY H H 37 8.020 8.020 8.555 -0.535 18487 1696 1 4 . 1 1 38 38 GLU N N 38 120.021 120.021 120.770 -0.749 18487 1697 1 4 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.444 -0.166 18487 1698 1 4 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.873 1.270 18487 1699 1 4 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.712 -1.395 18487 1700 1 4 . 1 1 38 38 GLU H H 38 8.101 8.101 8.194 -0.093 18487 1701 1 4 . 1 1 39 39 MET N N 39 121.372 121.372 121.706 -0.334 18487 1702 1 4 . 1 1 39 39 MET HA H 39 4.799 4.799 4.724 0.075 18487 1703 1 4 . 1 1 39 39 MET CA C 39 54.229 54.229 54.531 -0.302 18487 1704 1 4 . 1 1 39 39 MET CB C 39 33.392 33.392 35.310 -1.919 18487 1705 1 4 . 1 1 39 39 MET H H 39 8.571 8.571 8.294 0.277 18487 1706 1 4 . 1 1 40 40 LEU N N 40 121.913 121.913 124.389 -2.476 18487 1707 1 4 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.089 0.170 18487 1708 1 4 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.909 0.235 18487 1709 1 4 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.313 0.113 18487 1710 1 4 . 1 1 40 40 LEU H H 40 8.572 8.572 8.584 -0.012 18487 1711 1 4 . 1 1 41 41 GLN N N 41 114.647 114.647 114.557 0.090 18487 1712 1 4 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.904 -0.236 18487 1713 1 4 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.341 0.056 18487 1714 1 4 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.773 2.517 18487 1715 1 4 . 1 1 41 41 GLN H H 41 8.420 8.420 8.025 0.395 18487 1716 1 4 . 1 1 42 42 THR N N 42 111.706 111.706 118.170 -6.464 18487 1717 1 4 . 1 1 42 42 THR HA H 42 4.038 4.038 4.263 -0.225 18487 1718 1 4 . 1 1 42 42 THR CA C 42 63.082 63.082 62.532 0.550 18487 1719 1 4 . 1 1 42 42 THR CB C 42 69.264 69.264 69.638 -0.374 18487 1720 1 4 . 1 1 42 42 THR H H 42 8.205 8.205 8.572 -0.367 18487 1721 1 4 . 1 1 43 43 ARG N N 43 126.367 126.367 124.907 1.460 18487 1722 1 4 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.025 0.124 18487 1723 1 4 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.255 0.178 18487 1724 1 4 . 1 1 43 43 ARG CB C 43 28.927 28.927 28.222 0.705 18487 1725 1 4 . 1 1 43 43 ARG H H 43 8.885 8.885 8.652 0.233 18487 1726 1 4 . 1 1 44 44 GLY N N 44 116.299 116.299 111.939 4.360 18487 1727 1 4 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.587 -0.711 18487 1728 1 4 . 1 1 44 44 GLY H H 44 9.999 9.999 8.265 1.734 18487 1729 1 4 . 1 1 45 45 SER N N 45 117.374 117.374 116.283 1.091 18487 1730 1 4 . 1 1 45 45 SER HA H 45 4.316 4.316 4.788 -0.472 18487 1731 1 4 . 1 1 45 45 SER CA C 45 59.967 59.967 57.414 2.553 18487 1732 1 4 . 1 1 45 45 SER CB C 45 63.866 63.866 64.218 -0.352 18487 1733 1 4 . 1 1 45 45 SER H H 45 8.034 8.034 8.129 -0.095 18487 1734 1 4 . 1 1 46 46 LYS N N 46 124.024 124.024 120.841 3.183 18487 1735 1 4 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.637 -0.380 18487 1736 1 4 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.368 0.934 18487 1737 1 4 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.612 -0.935 18487 1738 1 4 . 1 1 46 46 LYS H H 46 8.560 8.560 8.546 0.014 18487 1739 1 4 . 1 1 47 47 SER N N 47 119.851 119.851 115.983 3.868 18487 1740 1 4 . 1 1 47 47 SER HA H 47 4.824 4.824 4.751 0.073 18487 1741 1 4 . 1 1 47 47 SER CA C 47 57.920 57.920 58.321 -0.401 18487 1742 1 4 . 1 1 47 47 SER CB C 47 63.770 63.770 62.788 0.981 18487 1743 1 4 . 1 1 47 47 SER H H 47 8.663 8.663 8.481 0.182 18487 1744 1 4 . 1 1 48 48 ILE N N 48 124.054 124.054 126.810 -2.756 18487 1745 1 4 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.077 0.280 18487 1746 1 4 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.741 -1.629 18487 1747 1 4 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.924 2.173 18487 1748 1 4 . 1 1 48 48 ILE H H 48 8.619 8.619 7.847 0.772 18487 1749 1 4 . 1 1 49 49 VAL N N 49 128.260 128.260 127.950 0.310 18487 1750 1 4 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.596 0.136 18487 1751 1 4 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.363 -0.351 18487 1752 1 4 . 1 1 49 49 VAL CB C 49 32.611 32.611 32.307 0.304 18487 1753 1 4 . 1 1 49 49 VAL H H 49 8.498 8.498 8.552 -0.054 18487 1754 1 4 . 1 1 50 50 ILE N N 50 127.715 127.715 129.442 -1.727 18487 1755 1 4 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.425 0.078 18487 1756 1 4 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.193 1.297 18487 1757 1 4 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.425 2.038 18487 1758 1 4 . 1 1 50 50 ILE H H 50 9.236 9.236 8.813 0.423 18487 1759 1 4 . 1 1 51 51 LYS N N 51 127.422 127.422 126.939 0.483 18487 1760 1 4 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.628 0.032 18487 1761 1 4 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.908 -0.358 18487 1762 1 4 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.805 0.138 18487 1763 1 4 . 1 1 51 51 LYS H H 51 9.673 9.673 8.196 1.477 18487 1764 1 4 . 1 1 52 52 ASN N N 52 117.981 117.981 119.616 -1.635 18487 1765 1 4 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.391 -0.643 18487 1766 1 4 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.339 -0.172 18487 1767 1 4 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.727 -1.343 18487 1768 1 4 . 1 1 52 52 ASN H H 52 8.119 8.119 8.825 -0.706 18487 1769 1 4 . 1 1 53 53 THR N N 53 105.425 105.425 108.575 -3.150 18487 1770 1 4 . 1 1 53 53 THR HA H 53 4.218 4.218 4.097 0.121 18487 1771 1 4 . 1 1 53 53 THR CA C 53 60.619 60.619 63.944 -3.325 18487 1772 1 4 . 1 1 53 53 THR CB C 53 69.221 69.221 68.785 0.436 18487 1773 1 4 . 1 1 53 53 THR H H 53 6.908 6.908 8.015 -1.107 18487 1774 1 4 . 1 1 54 54 ASP N N 54 125.547 125.547 124.621 0.926 18487 1775 1 4 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.632 0.334 18487 1776 1 4 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.710 -1.197 18487 1777 1 4 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.626 0.330 18487 1778 1 4 . 1 1 54 54 ASP H H 54 7.811 7.811 7.526 0.285 18487 1779 1 4 . 1 1 55 55 GLU N N 55 123.946 123.946 125.284 -1.338 18487 1780 1 4 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.762 0.061 18487 1781 1 4 . 1 1 55 55 GLU CA C 55 60.124 60.124 60.044 0.080 18487 1782 1 4 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.627 0.305 18487 1783 1 4 . 1 1 55 55 GLU H H 55 7.919 7.919 8.004 -0.085 18487 1784 1 4 . 1 1 56 56 ASN N N 56 115.295 115.295 116.989 -1.694 18487 1785 1 4 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.246 0.308 18487 1786 1 4 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.631 0.477 18487 1787 1 4 . 1 1 56 56 ASN CB C 56 38.267 38.267 36.978 1.289 18487 1788 1 4 . 1 1 56 56 ASN H H 56 8.728 8.728 8.664 0.064 18487 1789 1 4 . 1 1 57 57 LEU N N 57 120.223 120.223 120.729 -0.506 18487 1790 1 4 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.166 0.069 18487 1791 1 4 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.020 0.569 18487 1792 1 4 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.881 1.031 18487 1793 1 4 . 1 1 57 57 LEU H H 57 7.621 7.621 7.242 0.379 18487 1794 1 4 . 1 1 58 58 ILE N N 58 120.489 120.489 120.040 0.449 18487 1795 1 4 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.742 -0.206 18487 1796 1 4 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.266 1.073 18487 1797 1 4 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.746 0.647 18487 1798 1 4 . 1 1 58 58 ILE H H 58 8.461 8.461 8.164 0.297 18487 1799 1 4 . 1 1 59 59 ASN N N 59 114.873 114.873 116.809 -1.936 18487 1800 1 4 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.503 -0.025 18487 1801 1 4 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.121 -0.166 18487 1802 1 4 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.209 -0.174 18487 1803 1 4 . 1 1 59 59 ASN H H 59 7.958 7.958 8.057 -0.099 18487 1804 1 4 . 1 1 60 60 HIS N N 60 115.059 115.059 117.070 -2.011 18487 1805 1 4 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.425 0.343 18487 1806 1 4 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.730 -1.393 18487 1807 1 4 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.623 -0.807 18487 1808 1 4 . 1 1 60 60 HIS H H 60 7.633 7.633 7.444 0.189 18487 1809 1 4 . 1 1 61 61 SER N N 61 115.447 115.447 113.403 2.044 18487 1810 1 4 . 1 1 61 61 SER HA H 61 5.135 5.135 4.894 0.241 18487 1811 1 4 . 1 1 61 61 SER CA C 61 56.072 56.072 56.129 -0.057 18487 1812 1 4 . 1 1 61 61 SER CB C 61 63.806 63.806 63.989 -0.183 18487 1813 1 4 . 1 1 61 61 SER H H 61 7.849 7.849 7.680 0.169 18487 1814 1 4 . 1 1 62 62 LYS N N 62 132.090 132.090 128.108 3.982 18487 1815 1 4 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.276 -0.232 18487 1816 1 4 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.001 0.544 18487 1817 1 4 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.181 -0.642 18487 1818 1 4 . 1 1 62 62 LYS H H 62 9.021 9.021 8.952 0.069 18487 1819 1 4 . 1 1 63 63 LEU N N 63 118.793 118.793 119.892 -1.099 18487 1820 1 4 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.049 0.077 18487 1821 1 4 . 1 1 63 63 LEU CA C 63 57.650 57.650 58.082 -0.432 18487 1822 1 4 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.567 0.212 18487 1823 1 4 . 1 1 63 63 LEU H H 63 8.567 8.567 8.296 0.271 18487 1824 1 4 . 1 1 64 64 ALA N N 64 118.752 118.752 120.727 -1.975 18487 1825 1 4 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.806 -0.186 18487 1826 1 4 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.137 -0.080 18487 1827 1 4 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.303 0.282 18487 1828 1 4 . 1 1 64 64 ALA H H 64 7.645 7.645 7.675 -0.030 18487 1829 1 4 . 1 1 65 65 GLN N N 65 115.176 115.176 117.884 -2.708 18487 1830 1 4 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.937 0.009 18487 1831 1 4 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.329 -0.072 18487 1832 1 4 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.549 0.051 18487 1833 1 4 . 1 1 65 65 GLN H H 65 8.539 8.539 7.825 0.714 18487 1834 1 4 . 1 1 66 66 GLN N N 66 115.801 115.801 118.607 -2.806 18487 1835 1 4 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.084 -0.018 18487 1836 1 4 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.650 -0.090 18487 1837 1 4 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.469 1.028 18487 1838 1 4 . 1 1 66 66 GLN H H 66 8.125 8.125 8.042 0.083 18487 1839 1 4 . 1 1 67 67 ILE N N 67 119.874 119.874 119.842 0.032 18487 1840 1 4 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.649 -0.312 18487 1841 1 4 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.165 0.878 18487 1842 1 4 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.772 -0.854 18487 1843 1 4 . 1 1 67 67 ILE H H 67 8.281 8.281 7.896 0.385 18487 1844 1 4 . 1 1 68 68 PHE N N 68 114.873 114.873 118.204 -3.331 18487 1845 1 4 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.412 0.083 18487 1846 1 4 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.269 -0.578 18487 1847 1 4 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.511 -0.864 18487 1848 1 4 . 1 1 68 68 PHE H H 68 8.255 8.255 8.008 0.247 18487 1849 1 4 . 1 1 69 69 LEU N N 69 117.763 117.763 119.981 -2.218 18487 1850 1 4 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.053 0.242 18487 1851 1 4 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.832 -0.496 18487 1852 1 4 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.093 1.035 18487 1853 1 4 . 1 1 69 69 LEU H H 69 7.747 7.747 8.088 -0.341 18487 1854 1 4 . 1 1 70 70 GLN N N 70 115.040 115.040 117.005 -1.965 18487 1855 1 4 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.199 0.113 18487 1856 1 4 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.539 -0.310 18487 1857 1 4 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.093 -0.071 18487 1858 1 4 . 1 1 70 70 GLN H H 70 8.308 8.308 8.212 0.096 18487 1859 1 4 . 1 1 71 71 CYS N N 71 115.881 115.881 119.581 -3.700 18487 1860 1 4 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.906 0.052 18487 1861 1 4 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.230 0.171 18487 1862 1 4 . 1 1 71 71 CYS CB C 71 28.735 28.735 27.655 1.080 18487 1863 1 4 . 1 1 71 71 CYS H H 71 8.242 8.242 7.735 0.507 18487 1864 1 4 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.493 0.070 18487 1865 1 4 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.640 0.369 18487 1866 1 4 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.329 -0.918 18487 1867 1 4 . 1 1 73 73 GLY N N 73 106.975 106.975 106.058 0.917 18487 1868 1 4 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.312 0.966 18487 1869 1 4 . 1 1 73 73 GLY H H 73 8.657 8.657 8.298 0.359 18487 1870 1 4 . 1 1 74 74 VAL N N 74 119.448 119.448 120.060 -0.612 18487 1871 1 4 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.361 -0.381 18487 1872 1 4 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.159 0.642 18487 1873 1 4 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.740 -0.240 18487 1874 1 4 . 1 1 74 74 VAL H H 74 7.747 7.747 7.204 0.543 18487 1875 1 4 . 1 1 75 75 GLU N N 75 129.063 129.063 126.831 2.232 18487 1876 1 4 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.398 0.069 18487 1877 1 4 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.179 -0.149 18487 1878 1 4 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.284 0.328 18487 1879 1 4 . 1 1 75 75 GLU H H 75 8.994 8.994 8.726 0.268 18487 1880 1 4 . 1 1 76 76 SER N N 76 110.068 110.068 110.348 -0.280 18487 1881 1 4 . 1 1 76 76 SER HA H 76 5.283 5.283 5.314 -0.031 18487 1882 1 4 . 1 1 76 76 SER CA C 76 57.395 57.395 57.725 -0.330 18487 1883 1 4 . 1 1 76 76 SER CB C 76 65.281 65.281 66.239 -0.958 18487 1884 1 4 . 1 1 76 76 SER H H 76 8.306 8.306 7.643 0.663 18487 1885 1 4 . 1 1 77 77 LEU N N 77 117.334 117.334 119.489 -2.155 18487 1886 1 4 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.045 0.356 18487 1887 1 4 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.911 -0.330 18487 1888 1 4 . 1 1 77 77 LEU CB C 77 46.173 46.173 46.772 -0.599 18487 1889 1 4 . 1 1 77 77 LEU H H 77 9.250 9.250 8.873 0.377 18487 1890 1 4 . 1 1 78 78 MET N N 78 121.119 121.119 122.746 -1.627 18487 1891 1 4 . 1 1 78 78 MET HA H 78 5.367 5.367 5.074 0.293 18487 1892 1 4 . 1 1 78 78 MET CA C 78 53.966 53.966 54.266 -0.300 18487 1893 1 4 . 1 1 78 78 MET CB C 78 36.374 36.374 35.178 1.196 18487 1894 1 4 . 1 1 78 78 MET H H 78 9.333 9.333 8.815 0.518 18487 1895 1 4 . 1 1 79 79 ILE N N 79 127.512 127.512 126.888 0.624 18487 1896 1 4 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.266 -0.274 18487 1897 1 4 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.563 2.063 18487 1898 1 4 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.769 1.618 18487 1899 1 4 . 1 1 79 79 ILE H H 79 9.396 9.396 8.869 0.527 18487 1900 1 4 . 1 1 80 80 GLY N N 80 117.437 117.437 113.796 3.641 18487 1901 1 4 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.682 0.928 18487 1902 1 4 . 1 1 80 80 GLY H H 80 7.916 7.916 7.836 0.080 18487 1903 1 4 . 1 1 81 81 ASP N N 81 118.860 118.860 116.846 2.014 18487 1904 1 4 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.389 0.284 18487 1905 1 4 . 1 1 81 81 ASP CA C 81 55.034 55.034 56.749 -1.715 18487 1906 1 4 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.100 -1.426 18487 1907 1 4 . 1 1 81 81 ASP H H 81 7.983 7.983 8.240 -0.257 18487 1908 1 4 . 1 1 82 82 ASP N N 82 118.682 118.682 114.305 4.377 18487 1909 1 4 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.671 0.148 18487 1910 1 4 . 1 1 82 82 ASP CA C 82 52.138 52.138 53.912 -1.774 18487 1911 1 4 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.351 -0.357 18487 1912 1 4 . 1 1 82 82 ASP H H 82 9.164 9.164 8.841 0.323 18487 1913 1 4 . 1 1 83 83 PHE N N 83 110.898 110.898 115.856 -4.958 18487 1914 1 4 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.674 0.176 18487 1915 1 4 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.023 -0.058 18487 1916 1 4 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.275 0.471 18487 1917 1 4 . 1 1 83 83 PHE H H 83 6.887 6.887 7.333 -0.446 18487 1918 1 4 . 1 1 84 84 LEU N N 84 121.119 121.119 122.218 -1.099 18487 1919 1 4 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.073 0.160 18487 1920 1 4 . 1 1 84 84 LEU CA C 84 52.966 52.966 54.084 -1.118 18487 1921 1 4 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.944 1.464 18487 1922 1 4 . 1 1 84 84 LEU H H 84 9.118 9.118 8.988 0.130 18487 1923 1 4 . 1 1 85 85 THR N N 85 125.430 125.430 125.233 0.197 18487 1924 1 4 . 1 1 85 85 THR HA H 85 5.639 5.639 5.150 0.489 18487 1925 1 4 . 1 1 85 85 THR CA C 85 61.743 61.743 61.889 -0.146 18487 1926 1 4 . 1 1 85 85 THR CB C 85 69.835 69.835 69.328 0.507 18487 1927 1 4 . 1 1 85 85 THR H H 85 9.780 9.780 8.737 1.043 18487 1928 1 4 . 1 1 86 86 ILE N N 86 126.778 126.778 128.057 -1.279 18487 1929 1 4 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.313 0.398 18487 1930 1 4 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.628 -1.923 18487 1931 1 4 . 1 1 86 86 ILE CB C 86 39.344 39.344 38.421 0.923 18487 1932 1 4 . 1 1 86 86 ILE H H 86 9.151 9.151 8.565 0.586 18487 1933 1 4 . 1 1 87 87 ASN N N 87 124.785 124.785 124.603 0.182 18487 1934 1 4 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.683 0.343 18487 1935 1 4 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.337 -0.305 18487 1936 1 4 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.201 -1.522 18487 1937 1 4 . 1 1 87 87 ASN H H 87 8.680 8.680 8.540 0.140 18487 1938 1 4 . 1 1 88 88 LYS N N 88 122.617 122.617 123.584 -0.967 18487 1939 1 4 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.942 0.297 18487 1940 1 4 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.795 -0.281 18487 1941 1 4 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.172 2.083 18487 1942 1 4 . 1 1 88 88 LYS H H 88 9.361 9.361 8.864 0.497 18487 1943 1 4 . 1 1 89 89 ASP N N 89 121.211 121.211 120.557 0.654 18487 1944 1 4 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.711 -0.250 18487 1945 1 4 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.362 -0.467 18487 1946 1 4 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.984 -0.240 18487 1947 1 4 . 1 1 89 89 ASP H H 89 8.454 8.454 8.212 0.242 18487 1948 1 4 . 1 1 90 90 ARG N N 90 124.551 124.551 125.194 -0.643 18487 1949 1 4 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.169 -0.095 18487 1950 1 4 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.300 -0.191 18487 1951 1 4 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.108 0.787 18487 1952 1 4 . 1 1 90 90 ARG H H 90 8.475 8.475 8.670 -0.195 18487 1953 1 4 . 1 1 91 91 MET N N 91 115.821 115.821 117.985 -2.164 18487 1954 1 4 . 1 1 91 91 MET HA H 91 4.424 4.424 4.424 -0.000 18487 1955 1 4 . 1 1 91 91 MET CA C 91 55.206 55.206 56.409 -1.203 18487 1956 1 4 . 1 1 91 91 MET CB C 91 31.307 31.307 33.425 -2.118 18487 1957 1 4 . 1 1 91 91 MET H H 91 8.725 8.725 8.108 0.617 18487 1958 1 4 . 1 1 92 92 VAL N N 92 119.922 119.922 118.808 1.114 18487 1959 1 4 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.898 0.208 18487 1960 1 4 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.212 -0.154 18487 1961 1 4 . 1 1 92 92 VAL CB C 92 33.144 33.144 33.079 0.065 18487 1962 1 4 . 1 1 92 92 VAL H H 92 7.348 7.348 7.249 0.099 18487 1963 1 4 . 1 1 93 93 HIS N N 93 125.619 125.619 124.682 0.937 18487 1964 1 4 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.656 -0.060 18487 1965 1 4 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.400 -0.006 18487 1966 1 4 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.016 0.642 18487 1967 1 4 . 1 1 93 93 HIS H H 93 8.851 8.851 7.966 0.885 18487 1968 1 4 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.455 0.545 18487 1969 1 4 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.157 -0.157 18487 1970 1 4 . 1 1 94 94 TRP CB C 94 30.000 30.000 30.112 -0.112 18487 1971 1 4 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.686 0.011 18487 1972 1 4 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.791 0.236 18487 1973 1 4 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.608 -0.458 18487 1974 1 4 . 1 1 96 96 SER N N 96 113.047 113.047 116.366 -3.319 18487 1975 1 4 . 1 1 96 96 SER HA H 96 4.628 4.628 4.384 0.244 18487 1976 1 4 . 1 1 96 96 SER CA C 96 60.183 60.183 60.950 -0.767 18487 1977 1 4 . 1 1 96 96 SER CB C 96 63.901 63.901 63.053 0.848 18487 1978 1 4 . 1 1 96 96 SER H H 96 8.064 8.064 8.329 -0.265 18487 1979 1 4 . 1 1 97 97 ILE N N 97 116.621 116.621 120.035 -3.414 18487 1980 1 4 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.127 0.515 18487 1981 1 4 . 1 1 97 97 ILE CA C 97 62.778 62.778 62.314 0.464 18487 1982 1 4 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.068 4.359 18487 1983 1 4 . 1 1 97 97 ILE H H 97 7.705 7.705 7.608 0.097 18487 1984 1 4 . 1 1 98 98 LYS N N 98 120.198 120.198 121.248 -1.050 18487 1985 1 4 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.296 -0.039 18487 1986 1 4 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.207 0.506 18487 1987 1 4 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.093 0.880 18487 1988 1 4 . 1 1 98 98 LYS H H 98 9.132 9.132 7.932 1.200 18487 1989 1 4 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.311 -0.027 18487 1990 1 4 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.013 0.321 18487 1991 1 4 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.085 -0.684 18487 1992 1 4 . 1 1 100 100 GLU N N 100 117.097 117.097 118.542 -1.445 18487 1993 1 4 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.048 0.104 18487 1994 1 4 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.642 0.178 18487 1995 1 4 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.739 0.677 18487 1996 1 4 . 1 1 100 100 GLU H H 100 7.447 7.447 7.671 -0.224 18487 1997 1 4 . 1 1 101 101 ILE N N 101 118.326 118.326 120.539 -2.213 18487 1998 1 4 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.442 -0.078 18487 1999 1 4 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.536 -2.175 18487 2000 1 4 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.486 -1.637 18487 2001 1 4 . 1 1 101 101 ILE H H 101 7.896 7.896 7.648 0.248 18487 2002 1 4 . 1 1 102 102 ILE N N 102 118.368 118.368 119.470 -1.102 18487 2003 1 4 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.349 0.059 18487 2004 1 4 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.445 0.801 18487 2005 1 4 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.403 -0.163 18487 2006 1 4 . 1 1 102 102 ILE H H 102 8.243 8.243 7.888 0.355 18487 2007 1 4 . 1 1 103 103 ASP N N 103 122.381 122.381 120.030 2.351 18487 2008 1 4 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.340 0.038 18487 2009 1 4 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.576 0.406 18487 2010 1 4 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.882 0.652 18487 2011 1 4 . 1 1 103 103 ASP H H 103 7.900 7.900 7.696 0.204 18487 2012 1 4 . 1 1 104 104 LEU N N 104 119.007 119.007 119.965 -0.958 18487 2013 1 4 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.930 0.068 18487 2014 1 4 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.872 -0.133 18487 2015 1 4 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.749 0.393 18487 2016 1 4 . 1 1 104 104 LEU H H 104 8.261 8.261 7.761 0.500 18487 2017 1 4 . 1 1 105 105 LEU N N 105 120.443 120.443 119.190 1.253 18487 2018 1 4 . 1 1 105 105 LEU HA H 105 3.987 3.987 3.968 0.019 18487 2019 1 4 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.444 -0.943 18487 2020 1 4 . 1 1 105 105 LEU CB C 105 42.087 42.087 40.940 1.147 18487 2021 1 4 . 1 1 105 105 LEU H H 105 9.022 9.022 8.289 0.733 18487 2022 1 4 . 1 1 106 106 THR N N 106 114.821 114.821 114.879 -0.058 18487 2023 1 4 . 1 1 106 106 THR HA H 106 3.698 3.698 4.018 -0.320 18487 2024 1 4 . 1 1 106 106 THR CA C 106 67.610 67.610 66.127 1.483 18487 2025 1 4 . 1 1 106 106 THR CB C 106 68.325 68.325 68.393 -0.068 18487 2026 1 4 . 1 1 106 106 THR H H 106 8.273 8.273 7.707 0.566 18487 2027 1 4 . 1 1 107 107 LYS N N 107 120.049 120.049 122.042 -1.993 18487 2028 1 4 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.766 0.141 18487 2029 1 4 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.652 -0.197 18487 2030 1 4 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.925 0.437 18487 2031 1 4 . 1 1 107 107 LYS H H 107 7.691 7.691 7.751 -0.060 18487 2032 1 4 . 1 1 108 108 GLN N N 108 118.375 118.375 119.255 -0.880 18487 2033 1 4 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.293 -0.275 18487 2034 1 4 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.024 -1.041 18487 2035 1 4 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.760 -1.105 18487 2036 1 4 . 1 1 108 108 GLN H H 108 7.888 7.888 7.659 0.229 18487 2037 1 4 . 1 1 109 109 LEU N N 109 118.066 118.066 117.688 0.378 18487 2038 1 4 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.230 -0.048 18487 2039 1 4 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.345 0.122 18487 2040 1 4 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.667 0.143 18487 2041 1 4 . 1 1 109 109 LEU H H 109 8.269 8.269 7.766 0.503 18487 2042 1 4 . 1 1 110 110 ALA N N 110 120.909 120.909 121.654 -0.745 18487 2043 1 4 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.076 -0.044 18487 2044 1 4 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.434 -0.194 18487 2045 1 4 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.175 0.492 18487 2046 1 4 . 1 1 110 110 ALA H H 110 8.171 8.171 7.481 0.690 18487 2047 1 4 . 1 1 111 111 TYR N N 111 114.611 114.611 116.458 -1.847 18487 2048 1 4 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.374 0.268 18487 2049 1 4 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.715 -0.788 18487 2050 1 4 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.598 -0.126 18487 2051 1 4 . 1 1 111 111 TYR H H 111 7.763 7.763 7.307 0.456 18487 2052 1 4 . 1 1 112 112 GLY N N 112 107.916 107.916 107.747 0.169 18487 2053 1 4 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.348 0.860 18487 2054 1 4 . 1 1 112 112 GLY H H 112 7.941 7.941 7.744 0.197 18487 2055 1 4 . 1 1 113 113 GLU N N 113 119.571 119.571 120.299 -0.728 18487 2056 1 4 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.441 -0.051 18487 2057 1 4 . 1 1 113 113 GLU CA C 113 56.025 56.025 55.248 0.777 18487 2058 1 4 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.699 -1.296 18487 2059 1 4 . 1 1 113 113 GLU H H 113 8.166 8.166 7.769 0.397 18487 2060 1 4 . 1 1 114 114 ASP N N 114 121.457 121.457 125.155 -3.698 18487 2061 1 4 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.974 -0.349 18487 2062 1 4 . 1 1 114 114 ASP CA C 114 55.075 55.075 55.119 -0.044 18487 2063 1 4 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.196 -0.199 18487 2064 1 4 . 1 1 114 114 ASP H H 114 8.560 8.560 8.534 0.026 18487 2065 1 4 . 1 1 115 115 VAL N N 115 120.645 120.645 124.144 -3.499 18487 2066 1 4 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.833 0.246 18487 2067 1 4 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.959 -1.441 18487 2068 1 4 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.699 -0.866 18487 2069 1 4 . 1 1 115 115 VAL H H 115 8.659 8.659 8.380 0.279 18487 2070 1 4 . 1 1 116 116 ILE N N 116 120.775 120.775 108.934 11.841 18487 2071 1 4 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.376 0.287 18487 2072 1 4 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.857 -0.121 18487 2073 1 4 . 1 1 116 116 ILE CB C 116 39.798 39.798 40.788 -0.990 18487 2074 1 4 . 1 1 116 116 ILE H H 116 7.881 7.881 7.406 0.475 18487 2075 1 4 . 1 1 117 117 SER N N 117 121.192 121.192 115.403 5.789 18487 2076 1 4 . 1 1 117 117 SER HA H 117 4.641 4.641 4.615 0.026 18487 2077 1 4 . 1 1 117 117 SER CA C 117 57.846 57.846 59.340 -1.494 18487 2078 1 4 . 1 1 117 117 SER CB C 117 63.962 63.962 64.137 -0.175 18487 2079 1 4 . 1 1 117 117 SER H H 117 8.767 8.767 8.264 0.503 18487 2080 1 4 . 1 1 118 118 LYS N N 118 124.317 124.317 116.820 7.497 18487 2081 1 4 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.465 -0.109 18487 2082 1 4 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.316 0.221 18487 2083 1 4 . 1 1 118 118 LYS CB C 118 33.050 33.050 33.385 -0.335 18487 2084 1 4 . 1 1 118 118 LYS H H 118 8.633 8.633 7.998 0.635 18487 2085 1 5 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.686 -0.006 18487 2086 1 5 . 1 1 11 11 MET N N 11 120.918 120.918 123.808 -2.890 18487 2087 1 5 . 1 1 11 11 MET HA H 11 4.435 4.435 4.786 -0.351 18487 2088 1 5 . 1 1 11 11 MET CA C 11 55.736 55.736 54.551 1.185 18487 2089 1 5 . 1 1 11 11 MET CB C 11 32.501 32.501 33.087 -0.586 18487 2090 1 5 . 1 1 11 11 MET H H 11 8.289 8.289 8.484 -0.195 18487 2091 1 5 . 1 1 12 12 ASN N N 12 120.356 120.356 122.102 -1.746 18487 2092 1 5 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.709 0.049 18487 2093 1 5 . 1 1 12 12 ASN CA C 12 53.488 53.488 54.667 -1.179 18487 2094 1 5 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.732 -0.156 18487 2095 1 5 . 1 1 12 12 ASN H H 12 8.583 8.583 8.926 -0.343 18487 2096 1 5 . 1 1 13 13 SER N N 13 116.582 116.582 116.496 0.086 18487 2097 1 5 . 1 1 13 13 SER HA H 13 4.378 4.378 4.409 -0.031 18487 2098 1 5 . 1 1 13 13 SER CA C 13 58.842 58.842 58.137 0.705 18487 2099 1 5 . 1 1 13 13 SER CB C 13 63.403 63.403 62.557 0.846 18487 2100 1 5 . 1 1 13 13 SER H H 13 8.319 8.319 8.121 0.198 18487 2101 1 5 . 1 1 14 14 GLN N N 14 121.369 121.369 119.159 2.210 18487 2102 1 5 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.391 -0.073 18487 2103 1 5 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.350 0.749 18487 2104 1 5 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.635 0.309 18487 2105 1 5 . 1 1 14 14 GLN H H 14 8.365 8.365 7.696 0.669 18487 2106 1 5 . 1 1 15 15 ARG N N 15 121.565 121.565 120.330 1.235 18487 2107 1 5 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.488 -0.174 18487 2108 1 5 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.911 -0.023 18487 2109 1 5 . 1 1 15 15 ARG CB C 15 30.427 30.427 31.216 -0.789 18487 2110 1 5 . 1 1 15 15 ARG H H 15 8.084 8.084 7.997 0.087 18487 2111 1 5 . 1 1 16 16 LEU N N 16 123.810 123.810 118.313 5.497 18487 2112 1 5 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.799 -0.456 18487 2113 1 5 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.950 0.690 18487 2114 1 5 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.108 -2.046 18487 2115 1 5 . 1 1 16 16 LEU H H 16 8.254 8.254 8.215 0.039 18487 2116 1 5 . 1 1 17 17 ILE N N 17 122.996 122.996 122.612 0.384 18487 2117 1 5 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.269 -0.115 18487 2118 1 5 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.937 -0.723 18487 2119 1 5 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.123 0.661 18487 2120 1 5 . 1 1 17 17 ILE H H 17 8.006 8.006 8.172 -0.166 18487 2121 1 5 . 1 1 18 18 HIS N N 18 126.123 126.123 128.574 -2.451 18487 2122 1 5 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.501 0.344 18487 2123 1 5 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.680 -1.475 18487 2124 1 5 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.159 0.038 18487 2125 1 5 . 1 1 18 18 HIS H H 18 9.025 9.025 8.251 0.774 18487 2126 1 5 . 1 1 19 19 ILE N N 19 124.783 124.783 126.850 -2.067 18487 2127 1 5 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.508 0.482 18487 2128 1 5 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.612 -1.104 18487 2129 1 5 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.997 -0.647 18487 2130 1 5 . 1 1 19 19 ILE H H 19 8.485 8.485 8.222 0.263 18487 2131 1 5 . 1 1 20 20 LYS N N 20 128.184 128.184 128.647 -0.463 18487 2132 1 5 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.554 0.205 18487 2133 1 5 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.444 -1.315 18487 2134 1 5 . 1 1 20 20 LYS CB C 20 35.641 35.641 33.891 1.750 18487 2135 1 5 . 1 1 20 20 LYS H H 20 9.253 9.253 8.510 0.743 18487 2136 1 5 . 1 1 21 21 THR N N 21 114.649 114.649 123.007 -8.358 18487 2137 1 5 . 1 1 21 21 THR HA H 21 4.930 4.930 4.390 0.540 18487 2138 1 5 . 1 1 21 21 THR CA C 21 60.191 60.191 62.049 -1.858 18487 2139 1 5 . 1 1 21 21 THR CB C 21 69.966 69.966 68.904 1.062 18487 2140 1 5 . 1 1 21 21 THR H H 21 8.232 8.232 8.453 -0.221 18487 2141 1 5 . 1 1 22 22 LEU N N 22 125.973 125.973 129.895 -3.922 18487 2142 1 5 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.582 0.097 18487 2143 1 5 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.418 0.335 18487 2144 1 5 . 1 1 22 22 LEU CB C 22 45.134 45.134 43.788 1.346 18487 2145 1 5 . 1 1 22 22 LEU H H 22 9.156 9.156 8.603 0.553 18487 2146 1 5 . 1 1 23 23 THR N N 23 112.582 112.582 114.491 -1.909 18487 2147 1 5 . 1 1 23 23 THR HA H 23 4.281 4.281 4.221 0.060 18487 2148 1 5 . 1 1 23 23 THR CA C 23 61.474 61.474 62.074 -0.600 18487 2149 1 5 . 1 1 23 23 THR CB C 23 69.759 69.759 69.469 0.290 18487 2150 1 5 . 1 1 23 23 THR H H 23 7.912 7.912 8.384 -0.472 18487 2151 1 5 . 1 1 24 24 THR N N 24 112.952 112.952 114.837 -1.885 18487 2152 1 5 . 1 1 24 24 THR HA H 24 5.040 5.040 4.724 0.316 18487 2153 1 5 . 1 1 24 24 THR CA C 24 60.000 60.000 58.531 1.469 18487 2154 1 5 . 1 1 24 24 THR CB C 24 69.872 69.872 69.492 0.380 18487 2155 1 5 . 1 1 24 24 THR H H 24 8.793 8.793 8.053 0.740 18487 2156 1 5 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.317 0.128 18487 2157 1 5 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.917 0.405 18487 2158 1 5 . 1 1 25 25 PRO CB C 25 31.580 31.580 32.048 -0.468 18487 2159 1 5 . 1 1 26 26 ASN N N 26 115.534 115.534 118.030 -2.496 18487 2160 1 5 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.907 0.028 18487 2161 1 5 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.422 -1.385 18487 2162 1 5 . 1 1 26 26 ASN CB C 26 39.722 39.722 41.345 -1.623 18487 2163 1 5 . 1 1 26 26 ASN H H 26 7.774 7.774 8.044 -0.270 18487 2164 1 5 . 1 1 27 27 GLU N N 27 127.099 127.099 123.679 3.420 18487 2165 1 5 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.189 0.221 18487 2166 1 5 . 1 1 27 27 GLU CA C 27 58.958 58.958 59.266 -0.308 18487 2167 1 5 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.485 -0.381 18487 2168 1 5 . 1 1 27 27 GLU H H 27 9.428 9.428 9.025 0.403 18487 2169 1 5 . 1 1 28 28 ASN N N 28 115.176 115.176 117.287 -2.111 18487 2170 1 5 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.630 0.356 18487 2171 1 5 . 1 1 28 28 ASN CA C 28 53.784 53.784 55.875 -2.091 18487 2172 1 5 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.474 0.071 18487 2173 1 5 . 1 1 28 28 ASN H H 28 8.591 8.591 8.637 -0.046 18487 2174 1 5 . 1 1 29 29 ALA N N 29 123.317 123.317 118.659 4.658 18487 2175 1 5 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.480 0.896 18487 2176 1 5 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.194 1.115 18487 2177 1 5 . 1 1 29 29 ALA CB C 29 22.158 22.158 22.309 -0.151 18487 2178 1 5 . 1 1 29 29 ALA H H 29 8.210 8.210 7.224 0.986 18487 2179 1 5 . 1 1 30 30 LEU N N 30 124.426 124.426 119.420 5.006 18487 2180 1 5 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.343 0.165 18487 2181 1 5 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.920 -1.260 18487 2182 1 5 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.239 0.312 18487 2183 1 5 . 1 1 30 30 LEU H H 30 8.550 8.550 8.010 0.540 18487 2184 1 5 . 1 1 31 31 LYS N N 31 123.555 123.555 126.202 -2.647 18487 2185 1 5 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.680 0.459 18487 2186 1 5 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.773 -0.690 18487 2187 1 5 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.140 2.031 18487 2188 1 5 . 1 1 31 31 LYS H H 31 8.169 8.169 7.958 0.211 18487 2189 1 5 . 1 1 32 32 PHE N N 32 124.529 124.529 125.930 -1.401 18487 2190 1 5 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.689 0.286 18487 2191 1 5 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.088 -0.614 18487 2192 1 5 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.320 -0.243 18487 2193 1 5 . 1 1 32 32 PHE H H 32 9.634 9.634 9.029 0.605 18487 2194 1 5 . 1 1 33 33 LEU N N 33 122.712 122.712 127.888 -5.176 18487 2195 1 5 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.852 0.212 18487 2196 1 5 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.259 1.128 18487 2197 1 5 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.398 0.428 18487 2198 1 5 . 1 1 33 33 LEU H H 33 9.174 9.174 8.919 0.255 18487 2199 1 5 . 1 1 34 34 SER N N 34 117.120 117.120 122.713 -5.593 18487 2200 1 5 . 1 1 34 34 SER HA H 34 5.116 5.116 4.769 0.347 18487 2201 1 5 . 1 1 34 34 SER CA C 34 56.626 56.626 57.827 -1.201 18487 2202 1 5 . 1 1 34 34 SER CB C 34 64.053 64.053 63.201 0.852 18487 2203 1 5 . 1 1 34 34 SER H H 34 8.979 8.979 8.556 0.422 18487 2204 1 5 . 1 1 35 35 THR N N 35 117.097 117.097 115.702 1.395 18487 2205 1 5 . 1 1 35 35 THR HA H 35 4.460 4.460 4.423 0.037 18487 2206 1 5 . 1 1 35 35 THR CA C 35 62.944 62.944 62.469 0.475 18487 2207 1 5 . 1 1 35 35 THR CB C 35 69.779 69.779 69.781 -0.002 18487 2208 1 5 . 1 1 35 35 THR H H 35 8.646 8.646 8.066 0.580 18487 2209 1 5 . 1 1 36 36 ASP N N 36 120.039 120.039 122.809 -2.770 18487 2210 1 5 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.466 0.389 18487 2211 1 5 . 1 1 36 36 ASP CA C 36 54.741 54.741 54.881 -0.140 18487 2212 1 5 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.251 0.269 18487 2213 1 5 . 1 1 36 36 ASP H H 36 8.711 8.711 7.714 0.997 18487 2214 1 5 . 1 1 37 37 GLY N N 37 107.015 107.015 114.404 -7.389 18487 2215 1 5 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.951 -0.322 18487 2216 1 5 . 1 1 37 37 GLY H H 37 8.020 8.020 8.435 -0.415 18487 2217 1 5 . 1 1 38 38 GLU N N 38 120.021 120.021 121.648 -1.627 18487 2218 1 5 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.571 -0.293 18487 2219 1 5 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.781 1.362 18487 2220 1 5 . 1 1 38 38 GLU CB C 38 29.317 29.317 31.126 -1.809 18487 2221 1 5 . 1 1 38 38 GLU H H 38 8.101 8.101 8.056 0.045 18487 2222 1 5 . 1 1 39 39 MET N N 39 121.372 121.372 119.886 1.486 18487 2223 1 5 . 1 1 39 39 MET HA H 39 4.799 4.799 4.745 0.054 18487 2224 1 5 . 1 1 39 39 MET CA C 39 54.229 54.229 53.898 0.332 18487 2225 1 5 . 1 1 39 39 MET CB C 39 33.392 33.392 35.112 -1.720 18487 2226 1 5 . 1 1 39 39 MET H H 39 8.571 8.571 8.156 0.415 18487 2227 1 5 . 1 1 40 40 LEU N N 40 121.913 121.913 122.711 -0.798 18487 2228 1 5 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.170 0.089 18487 2229 1 5 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.549 0.595 18487 2230 1 5 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.538 -0.112 18487 2231 1 5 . 1 1 40 40 LEU H H 40 8.572 8.572 8.430 0.142 18487 2232 1 5 . 1 1 41 41 GLN N N 41 114.647 114.647 114.307 0.340 18487 2233 1 5 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.477 0.191 18487 2234 1 5 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.280 0.117 18487 2235 1 5 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.020 3.270 18487 2236 1 5 . 1 1 41 41 GLN H H 41 8.420 8.420 7.504 0.916 18487 2237 1 5 . 1 1 42 42 THR N N 42 111.706 111.706 117.679 -5.973 18487 2238 1 5 . 1 1 42 42 THR HA H 42 4.038 4.038 4.366 -0.328 18487 2239 1 5 . 1 1 42 42 THR CA C 42 63.082 63.082 63.746 -0.664 18487 2240 1 5 . 1 1 42 42 THR CB C 42 69.264 69.264 69.554 -0.290 18487 2241 1 5 . 1 1 42 42 THR H H 42 8.205 8.205 8.519 -0.314 18487 2242 1 5 . 1 1 43 43 ARG N N 43 126.367 126.367 126.330 0.037 18487 2243 1 5 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.023 0.126 18487 2244 1 5 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.413 0.020 18487 2245 1 5 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.937 -2.010 18487 2246 1 5 . 1 1 43 43 ARG H H 43 8.885 8.885 8.613 0.272 18487 2247 1 5 . 1 1 44 44 GLY N N 44 116.299 116.299 112.634 3.665 18487 2248 1 5 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.004 -0.128 18487 2249 1 5 . 1 1 44 44 GLY H H 44 9.999 9.999 8.925 1.074 18487 2250 1 5 . 1 1 45 45 SER N N 45 117.374 117.374 113.436 3.938 18487 2251 1 5 . 1 1 45 45 SER HA H 45 4.316 4.316 4.782 -0.466 18487 2252 1 5 . 1 1 45 45 SER CA C 45 59.967 59.967 57.297 2.670 18487 2253 1 5 . 1 1 45 45 SER CB C 45 63.866 63.866 65.371 -1.504 18487 2254 1 5 . 1 1 45 45 SER H H 45 8.034 8.034 7.863 0.171 18487 2255 1 5 . 1 1 46 46 LYS N N 46 124.024 124.024 121.095 2.929 18487 2256 1 5 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.510 -0.253 18487 2257 1 5 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.541 0.761 18487 2258 1 5 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.646 -0.969 18487 2259 1 5 . 1 1 46 46 LYS H H 46 8.560 8.560 8.616 -0.056 18487 2260 1 5 . 1 1 47 47 SER N N 47 119.851 119.851 117.646 2.205 18487 2261 1 5 . 1 1 47 47 SER HA H 47 4.824 4.824 4.713 0.111 18487 2262 1 5 . 1 1 47 47 SER CA C 47 57.920 57.920 57.942 -0.022 18487 2263 1 5 . 1 1 47 47 SER CB C 47 63.770 63.770 63.030 0.740 18487 2264 1 5 . 1 1 47 47 SER H H 47 8.663 8.663 8.386 0.277 18487 2265 1 5 . 1 1 48 48 ILE N N 48 124.054 124.054 126.744 -2.690 18487 2266 1 5 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.082 0.275 18487 2267 1 5 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.447 -1.335 18487 2268 1 5 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.908 3.189 18487 2269 1 5 . 1 1 48 48 ILE H H 48 8.619 8.619 8.059 0.560 18487 2270 1 5 . 1 1 49 49 VAL N N 49 128.260 128.260 129.414 -1.154 18487 2271 1 5 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.566 0.166 18487 2272 1 5 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.901 0.111 18487 2273 1 5 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.802 0.809 18487 2274 1 5 . 1 1 49 49 VAL H H 49 8.498 8.498 8.528 -0.030 18487 2275 1 5 . 1 1 50 50 ILE N N 50 127.715 127.715 130.567 -2.852 18487 2276 1 5 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.291 0.212 18487 2277 1 5 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.768 0.722 18487 2278 1 5 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.253 2.210 18487 2279 1 5 . 1 1 50 50 ILE H H 50 9.236 9.236 9.040 0.196 18487 2280 1 5 . 1 1 51 51 LYS N N 51 127.422 127.422 128.179 -0.757 18487 2281 1 5 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.555 0.105 18487 2282 1 5 . 1 1 51 51 LYS CA C 51 55.550 55.550 56.196 -0.646 18487 2283 1 5 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.551 0.392 18487 2284 1 5 . 1 1 51 51 LYS H H 51 9.673 9.673 8.665 1.008 18487 2285 1 5 . 1 1 52 52 ASN N N 52 117.981 117.981 121.785 -3.804 18487 2286 1 5 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.656 -0.908 18487 2287 1 5 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.737 0.430 18487 2288 1 5 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.720 -1.337 18487 2289 1 5 . 1 1 52 52 ASN H H 52 8.119 8.119 8.836 -0.717 18487 2290 1 5 . 1 1 53 53 THR N N 53 105.425 105.425 112.186 -6.761 18487 2291 1 5 . 1 1 53 53 THR HA H 53 4.218 4.218 4.242 -0.024 18487 2292 1 5 . 1 1 53 53 THR CA C 53 60.619 60.619 62.479 -1.860 18487 2293 1 5 . 1 1 53 53 THR CB C 53 69.221 69.221 69.344 -0.123 18487 2294 1 5 . 1 1 53 53 THR H H 53 6.908 6.908 7.902 -0.995 18487 2295 1 5 . 1 1 54 54 ASP N N 54 125.547 125.547 122.746 2.801 18487 2296 1 5 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.794 0.172 18487 2297 1 5 . 1 1 54 54 ASP CA C 54 53.513 53.513 52.830 0.683 18487 2298 1 5 . 1 1 54 54 ASP CB C 54 39.956 39.956 41.901 -1.945 18487 2299 1 5 . 1 1 54 54 ASP H H 54 7.811 7.811 7.416 0.395 18487 2300 1 5 . 1 1 55 55 GLU N N 55 123.946 123.946 127.598 -3.652 18487 2301 1 5 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.836 -0.013 18487 2302 1 5 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.988 0.136 18487 2303 1 5 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.823 0.109 18487 2304 1 5 . 1 1 55 55 GLU H H 55 7.919 7.919 8.769 -0.850 18487 2305 1 5 . 1 1 56 56 ASN N N 56 115.295 115.295 117.148 -1.853 18487 2306 1 5 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.543 0.011 18487 2307 1 5 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.611 0.497 18487 2308 1 5 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.044 0.223 18487 2309 1 5 . 1 1 56 56 ASN H H 56 8.728 8.728 8.067 0.661 18487 2310 1 5 . 1 1 57 57 LEU N N 57 120.223 120.223 120.453 -0.230 18487 2311 1 5 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.124 0.111 18487 2312 1 5 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.489 0.100 18487 2313 1 5 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.976 0.936 18487 2314 1 5 . 1 1 57 57 LEU H H 57 7.621 7.621 7.924 -0.303 18487 2315 1 5 . 1 1 58 58 ILE N N 58 120.489 120.489 118.670 1.819 18487 2316 1 5 . 1 1 58 58 ILE HA H 58 3.536 3.536 4.046 -0.510 18487 2317 1 5 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.189 2.150 18487 2318 1 5 . 1 1 58 58 ILE CB C 58 38.393 38.393 38.063 0.330 18487 2319 1 5 . 1 1 58 58 ILE H H 58 8.461 8.461 7.611 0.850 18487 2320 1 5 . 1 1 59 59 ASN N N 59 114.873 114.873 119.408 -4.535 18487 2321 1 5 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.443 0.035 18487 2322 1 5 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.991 -1.036 18487 2323 1 5 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.408 -0.373 18487 2324 1 5 . 1 1 59 59 ASN H H 59 7.958 7.958 8.348 -0.390 18487 2325 1 5 . 1 1 60 60 HIS N N 60 115.059 115.059 116.916 -1.857 18487 2326 1 5 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.518 0.250 18487 2327 1 5 . 1 1 60 60 HIS CA C 60 56.337 56.337 56.444 -0.107 18487 2328 1 5 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.683 -0.867 18487 2329 1 5 . 1 1 60 60 HIS H H 60 7.633 7.633 7.568 0.065 18487 2330 1 5 . 1 1 61 61 SER N N 61 115.447 115.447 114.500 0.947 18487 2331 1 5 . 1 1 61 61 SER HA H 61 5.135 5.135 4.778 0.357 18487 2332 1 5 . 1 1 61 61 SER CA C 61 56.072 56.072 56.617 -0.545 18487 2333 1 5 . 1 1 61 61 SER CB C 61 63.806 63.806 64.977 -1.171 18487 2334 1 5 . 1 1 61 61 SER H H 61 7.849 7.849 7.641 0.208 18487 2335 1 5 . 1 1 62 62 LYS N N 62 132.090 132.090 128.135 3.955 18487 2336 1 5 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.238 -0.194 18487 2337 1 5 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.171 0.374 18487 2338 1 5 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.075 -0.537 18487 2339 1 5 . 1 1 62 62 LYS H H 62 9.021 9.021 8.810 0.211 18487 2340 1 5 . 1 1 63 63 LEU N N 63 118.793 118.793 119.538 -0.745 18487 2341 1 5 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.033 0.093 18487 2342 1 5 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.692 -0.042 18487 2343 1 5 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.574 0.205 18487 2344 1 5 . 1 1 63 63 LEU H H 63 8.567 8.567 7.467 1.100 18487 2345 1 5 . 1 1 64 64 ALA N N 64 118.752 118.752 120.852 -2.100 18487 2346 1 5 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.723 -0.103 18487 2347 1 5 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.066 -0.009 18487 2348 1 5 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.144 0.441 18487 2349 1 5 . 1 1 64 64 ALA H H 64 7.645 7.645 8.048 -0.403 18487 2350 1 5 . 1 1 65 65 GLN N N 65 115.176 115.176 117.744 -2.568 18487 2351 1 5 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.957 -0.011 18487 2352 1 5 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.280 -0.023 18487 2353 1 5 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.515 0.085 18487 2354 1 5 . 1 1 65 65 GLN H H 65 8.539 8.539 7.881 0.658 18487 2355 1 5 . 1 1 66 66 GLN N N 66 115.801 115.801 118.755 -2.954 18487 2356 1 5 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.052 0.014 18487 2357 1 5 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.603 -0.043 18487 2358 1 5 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.379 1.118 18487 2359 1 5 . 1 1 66 66 GLN H H 66 8.125 8.125 7.771 0.354 18487 2360 1 5 . 1 1 67 67 ILE N N 67 119.874 119.874 119.523 0.351 18487 2361 1 5 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.618 -0.281 18487 2362 1 5 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.055 0.988 18487 2363 1 5 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.664 -0.746 18487 2364 1 5 . 1 1 67 67 ILE H H 67 8.281 8.281 7.776 0.505 18487 2365 1 5 . 1 1 68 68 PHE N N 68 114.873 114.873 118.175 -3.302 18487 2366 1 5 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.492 0.003 18487 2367 1 5 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.485 0.206 18487 2368 1 5 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.358 -0.710 18487 2369 1 5 . 1 1 68 68 PHE H H 68 8.255 8.255 8.034 0.221 18487 2370 1 5 . 1 1 69 69 LEU N N 69 117.763 117.763 120.129 -2.366 18487 2371 1 5 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.075 0.220 18487 2372 1 5 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.712 -0.376 18487 2373 1 5 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.034 1.094 18487 2374 1 5 . 1 1 69 69 LEU H H 69 7.747 7.747 7.861 -0.114 18487 2375 1 5 . 1 1 70 70 GLN N N 70 115.040 115.040 117.158 -2.118 18487 2376 1 5 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.198 0.114 18487 2377 1 5 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.861 -0.631 18487 2378 1 5 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.190 -0.168 18487 2379 1 5 . 1 1 70 70 GLN H H 70 8.308 8.308 8.193 0.115 18487 2380 1 5 . 1 1 71 71 CYS N N 71 115.881 115.881 118.429 -2.548 18487 2381 1 5 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.875 0.083 18487 2382 1 5 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.959 -0.558 18487 2383 1 5 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.281 -0.546 18487 2384 1 5 . 1 1 71 71 CYS H H 71 8.242 8.242 7.881 0.361 18487 2385 1 5 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.673 -0.110 18487 2386 1 5 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.548 0.461 18487 2387 1 5 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.258 -0.847 18487 2388 1 5 . 1 1 73 73 GLY N N 73 106.975 106.975 107.410 -0.435 18487 2389 1 5 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.603 0.674 18487 2390 1 5 . 1 1 73 73 GLY H H 73 8.657 8.657 8.481 0.176 18487 2391 1 5 . 1 1 74 74 VAL N N 74 119.448 119.448 120.048 -0.600 18487 2392 1 5 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.027 -0.047 18487 2393 1 5 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.715 1.086 18487 2394 1 5 . 1 1 74 74 VAL CB C 74 31.500 31.500 32.506 -1.006 18487 2395 1 5 . 1 1 74 74 VAL H H 74 7.747 7.747 7.239 0.508 18487 2396 1 5 . 1 1 75 75 GLU N N 75 129.063 129.063 125.882 3.181 18487 2397 1 5 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.416 0.051 18487 2398 1 5 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.913 0.117 18487 2399 1 5 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.289 0.323 18487 2400 1 5 . 1 1 75 75 GLU H H 75 8.994 8.994 8.637 0.357 18487 2401 1 5 . 1 1 76 76 SER N N 76 110.068 110.068 110.911 -0.843 18487 2402 1 5 . 1 1 76 76 SER HA H 76 5.283 5.283 5.582 -0.299 18487 2403 1 5 . 1 1 76 76 SER CA C 76 57.395 57.395 57.376 0.019 18487 2404 1 5 . 1 1 76 76 SER CB C 76 65.281 65.281 66.615 -1.334 18487 2405 1 5 . 1 1 76 76 SER H H 76 8.306 8.306 8.364 -0.058 18487 2406 1 5 . 1 1 77 77 LEU N N 77 117.334 117.334 120.808 -3.474 18487 2407 1 5 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.784 0.617 18487 2408 1 5 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.990 -0.409 18487 2409 1 5 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.159 1.014 18487 2410 1 5 . 1 1 77 77 LEU H H 77 9.250 9.250 8.863 0.387 18487 2411 1 5 . 1 1 78 78 MET N N 78 121.119 121.119 125.304 -4.185 18487 2412 1 5 . 1 1 78 78 MET HA H 78 5.367 5.367 4.921 0.446 18487 2413 1 5 . 1 1 78 78 MET CA C 78 53.966 53.966 54.324 -0.358 18487 2414 1 5 . 1 1 78 78 MET CB C 78 36.374 36.374 33.602 2.772 18487 2415 1 5 . 1 1 78 78 MET H H 78 9.333 9.333 8.776 0.557 18487 2416 1 5 . 1 1 79 79 ILE N N 79 127.512 127.512 127.675 -0.163 18487 2417 1 5 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.270 -0.278 18487 2418 1 5 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.381 2.245 18487 2419 1 5 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.219 2.168 18487 2420 1 5 . 1 1 79 79 ILE H H 79 9.396 9.396 8.418 0.978 18487 2421 1 5 . 1 1 80 80 GLY N N 80 117.437 117.437 115.464 1.973 18487 2422 1 5 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.283 0.327 18487 2423 1 5 . 1 1 80 80 GLY H H 80 7.916 7.916 8.172 -0.256 18487 2424 1 5 . 1 1 81 81 ASP N N 81 118.860 118.860 118.653 0.207 18487 2425 1 5 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.307 0.366 18487 2426 1 5 . 1 1 81 81 ASP CA C 81 55.034 55.034 55.770 -0.737 18487 2427 1 5 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.635 -0.961 18487 2428 1 5 . 1 1 81 81 ASP H H 81 7.983 7.983 8.368 -0.385 18487 2429 1 5 . 1 1 82 82 ASP N N 82 118.682 118.682 117.089 1.593 18487 2430 1 5 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.666 0.153 18487 2431 1 5 . 1 1 82 82 ASP CA C 82 52.138 52.138 56.504 -4.366 18487 2432 1 5 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.966 -0.972 18487 2433 1 5 . 1 1 82 82 ASP H H 82 9.164 9.164 8.606 0.558 18487 2434 1 5 . 1 1 83 83 PHE N N 83 110.898 110.898 111.380 -0.482 18487 2435 1 5 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.578 0.272 18487 2436 1 5 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.982 -0.017 18487 2437 1 5 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.217 0.529 18487 2438 1 5 . 1 1 83 83 PHE H H 83 6.887 6.887 7.187 -0.300 18487 2439 1 5 . 1 1 84 84 LEU N N 84 121.119 121.119 121.661 -0.542 18487 2440 1 5 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.193 0.040 18487 2441 1 5 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.989 -1.023 18487 2442 1 5 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.153 2.255 18487 2443 1 5 . 1 1 84 84 LEU H H 84 9.118 9.118 8.761 0.357 18487 2444 1 5 . 1 1 85 85 THR N N 85 125.430 125.430 126.010 -0.580 18487 2445 1 5 . 1 1 85 85 THR HA H 85 5.639 5.639 5.085 0.554 18487 2446 1 5 . 1 1 85 85 THR CA C 85 61.743 61.743 62.357 -0.614 18487 2447 1 5 . 1 1 85 85 THR CB C 85 69.835 69.835 69.320 0.515 18487 2448 1 5 . 1 1 85 85 THR H H 85 9.780 9.780 8.833 0.947 18487 2449 1 5 . 1 1 86 86 ILE N N 86 126.778 126.778 129.580 -2.802 18487 2450 1 5 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.312 0.399 18487 2451 1 5 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.675 -1.970 18487 2452 1 5 . 1 1 86 86 ILE CB C 86 39.344 39.344 36.370 2.974 18487 2453 1 5 . 1 1 86 86 ILE H H 86 9.151 9.151 8.875 0.276 18487 2454 1 5 . 1 1 87 87 ASN N N 87 124.785 124.785 128.414 -3.629 18487 2455 1 5 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.542 0.484 18487 2456 1 5 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.429 -0.397 18487 2457 1 5 . 1 1 87 87 ASN CB C 87 39.679 39.679 39.673 0.006 18487 2458 1 5 . 1 1 87 87 ASN H H 87 8.680 8.680 8.616 0.064 18487 2459 1 5 . 1 1 88 88 LYS N N 88 122.617 122.617 122.033 0.584 18487 2460 1 5 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.687 0.552 18487 2461 1 5 . 1 1 88 88 LYS CA C 88 53.514 53.514 54.472 -0.958 18487 2462 1 5 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.898 1.357 18487 2463 1 5 . 1 1 88 88 LYS H H 88 9.361 9.361 8.973 0.388 18487 2464 1 5 . 1 1 89 89 ASP N N 89 121.211 121.211 120.642 0.569 18487 2465 1 5 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.566 -0.105 18487 2466 1 5 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.229 -0.334 18487 2467 1 5 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.827 -0.083 18487 2468 1 5 . 1 1 89 89 ASP H H 89 8.454 8.454 8.353 0.101 18487 2469 1 5 . 1 1 90 90 ARG N N 90 124.551 124.551 124.719 -0.168 18487 2470 1 5 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.122 -0.048 18487 2471 1 5 . 1 1 90 90 ARG CA C 90 58.109 58.109 57.840 0.269 18487 2472 1 5 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.739 0.156 18487 2473 1 5 . 1 1 90 90 ARG H H 90 8.475 8.475 8.561 -0.086 18487 2474 1 5 . 1 1 91 91 MET N N 91 115.821 115.821 116.726 -0.905 18487 2475 1 5 . 1 1 91 91 MET HA H 91 4.424 4.424 4.330 0.094 18487 2476 1 5 . 1 1 91 91 MET CA C 91 55.206 55.206 55.701 -0.495 18487 2477 1 5 . 1 1 91 91 MET CB C 91 31.307 31.307 32.727 -1.420 18487 2478 1 5 . 1 1 91 91 MET H H 91 8.725 8.725 7.657 1.067 18487 2479 1 5 . 1 1 92 92 VAL N N 92 119.922 119.922 118.324 1.598 18487 2480 1 5 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.552 0.554 18487 2481 1 5 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.350 -0.292 18487 2482 1 5 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.700 0.444 18487 2483 1 5 . 1 1 92 92 VAL H H 92 7.348 7.348 7.402 -0.054 18487 2484 1 5 . 1 1 93 93 HIS N N 93 125.619 125.619 121.061 4.558 18487 2485 1 5 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.748 -0.152 18487 2486 1 5 . 1 1 93 93 HIS CA C 93 55.394 55.394 54.893 0.501 18487 2487 1 5 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.664 -1.006 18487 2488 1 5 . 1 1 93 93 HIS H H 93 8.851 8.851 7.917 0.934 18487 2489 1 5 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.527 0.473 18487 2490 1 5 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.177 -0.177 18487 2491 1 5 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.521 0.479 18487 2492 1 5 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.583 0.114 18487 2493 1 5 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.466 0.561 18487 2494 1 5 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.088 -0.937 18487 2495 1 5 . 1 1 96 96 SER N N 96 113.047 113.047 114.245 -1.198 18487 2496 1 5 . 1 1 96 96 SER HA H 96 4.628 4.628 4.523 0.105 18487 2497 1 5 . 1 1 96 96 SER CA C 96 60.183 60.183 60.204 -0.021 18487 2498 1 5 . 1 1 96 96 SER CB C 96 63.901 63.901 64.267 -0.366 18487 2499 1 5 . 1 1 96 96 SER H H 96 8.064 8.064 7.687 0.377 18487 2500 1 5 . 1 1 97 97 ILE N N 97 116.621 116.621 121.305 -4.684 18487 2501 1 5 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.107 0.535 18487 2502 1 5 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.266 -0.488 18487 2503 1 5 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.624 3.803 18487 2504 1 5 . 1 1 97 97 ILE H H 97 7.705 7.705 7.308 0.397 18487 2505 1 5 . 1 1 98 98 LYS N N 98 120.198 120.198 121.399 -1.201 18487 2506 1 5 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.293 -0.036 18487 2507 1 5 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.131 0.582 18487 2508 1 5 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.035 -0.062 18487 2509 1 5 . 1 1 98 98 LYS H H 98 9.132 9.132 8.326 0.806 18487 2510 1 5 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.302 -0.018 18487 2511 1 5 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.056 0.278 18487 2512 1 5 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.982 -0.581 18487 2513 1 5 . 1 1 100 100 GLU N N 100 117.097 117.097 118.018 -0.921 18487 2514 1 5 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.099 0.053 18487 2515 1 5 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.429 0.390 18487 2516 1 5 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.726 0.690 18487 2517 1 5 . 1 1 100 100 GLU H H 100 7.447 7.447 7.720 -0.273 18487 2518 1 5 . 1 1 101 101 ILE N N 101 118.326 118.326 120.918 -2.592 18487 2519 1 5 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.444 -0.080 18487 2520 1 5 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.616 -2.255 18487 2521 1 5 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.402 -1.553 18487 2522 1 5 . 1 1 101 101 ILE H H 101 7.896 7.896 7.657 0.239 18487 2523 1 5 . 1 1 102 102 ILE N N 102 118.368 118.368 119.586 -1.218 18487 2524 1 5 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.486 -0.078 18487 2525 1 5 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.553 0.693 18487 2526 1 5 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.497 -0.257 18487 2527 1 5 . 1 1 102 102 ILE H H 102 8.243 8.243 7.973 0.270 18487 2528 1 5 . 1 1 103 103 ASP N N 103 122.381 122.381 120.221 2.160 18487 2529 1 5 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.300 0.078 18487 2530 1 5 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.896 0.086 18487 2531 1 5 . 1 1 103 103 ASP CB C 103 41.534 41.534 41.042 0.492 18487 2532 1 5 . 1 1 103 103 ASP H H 103 7.900 7.900 7.788 0.112 18487 2533 1 5 . 1 1 104 104 LEU N N 104 119.007 119.007 119.867 -0.860 18487 2534 1 5 . 1 1 104 104 LEU HA H 104 3.998 3.998 4.007 -0.009 18487 2535 1 5 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.872 -0.133 18487 2536 1 5 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.904 0.238 18487 2537 1 5 . 1 1 104 104 LEU H H 104 8.261 8.261 8.084 0.177 18487 2538 1 5 . 1 1 105 105 LEU N N 105 120.443 120.443 118.901 1.542 18487 2539 1 5 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.042 -0.055 18487 2540 1 5 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.957 -0.456 18487 2541 1 5 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.050 1.037 18487 2542 1 5 . 1 1 105 105 LEU H H 105 9.022 9.022 8.364 0.658 18487 2543 1 5 . 1 1 106 106 THR N N 106 114.821 114.821 115.969 -1.148 18487 2544 1 5 . 1 1 106 106 THR HA H 106 3.698 3.698 3.957 -0.259 18487 2545 1 5 . 1 1 106 106 THR CA C 106 67.610 67.610 66.824 0.786 18487 2546 1 5 . 1 1 106 106 THR CB C 106 68.325 68.325 68.694 -0.369 18487 2547 1 5 . 1 1 106 106 THR H H 106 8.273 8.273 7.568 0.705 18487 2548 1 5 . 1 1 107 107 LYS N N 107 120.049 120.049 121.264 -1.215 18487 2549 1 5 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.827 0.080 18487 2550 1 5 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.267 0.188 18487 2551 1 5 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.780 0.582 18487 2552 1 5 . 1 1 107 107 LYS H H 107 7.691 7.691 7.964 -0.273 18487 2553 1 5 . 1 1 108 108 GLN N N 108 118.375 118.375 119.158 -0.783 18487 2554 1 5 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.080 -0.062 18487 2555 1 5 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.123 -1.140 18487 2556 1 5 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.538 -0.882 18487 2557 1 5 . 1 1 108 108 GLN H H 108 7.888 7.888 7.961 -0.073 18487 2558 1 5 . 1 1 109 109 LEU N N 109 118.066 118.066 117.271 0.795 18487 2559 1 5 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.202 -0.020 18487 2560 1 5 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.496 -0.029 18487 2561 1 5 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.763 0.047 18487 2562 1 5 . 1 1 109 109 LEU H H 109 8.269 8.269 7.513 0.756 18487 2563 1 5 . 1 1 110 110 ALA N N 110 120.909 120.909 122.520 -1.611 18487 2564 1 5 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.076 -0.044 18487 2565 1 5 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.171 0.069 18487 2566 1 5 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.788 -0.121 18487 2567 1 5 . 1 1 110 110 ALA H H 110 8.171 8.171 7.708 0.463 18487 2568 1 5 . 1 1 111 111 TYR N N 111 114.611 114.611 116.387 -1.776 18487 2569 1 5 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.348 0.294 18487 2570 1 5 . 1 1 111 111 TYR CA C 111 57.927 57.927 57.649 0.278 18487 2571 1 5 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.643 -0.171 18487 2572 1 5 . 1 1 111 111 TYR H H 111 7.763 7.763 7.746 0.017 18487 2573 1 5 . 1 1 112 112 GLY N N 112 107.916 107.916 106.855 1.061 18487 2574 1 5 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.092 1.116 18487 2575 1 5 . 1 1 112 112 GLY H H 112 7.941 7.941 7.829 0.112 18487 2576 1 5 . 1 1 113 113 GLU N N 113 119.571 119.571 119.840 -0.269 18487 2577 1 5 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.218 0.172 18487 2578 1 5 . 1 1 113 113 GLU CA C 113 56.025 56.025 56.042 -0.017 18487 2579 1 5 . 1 1 113 113 GLU CB C 113 30.403 30.403 30.548 -0.145 18487 2580 1 5 . 1 1 113 113 GLU H H 113 8.166 8.166 8.041 0.125 18487 2581 1 5 . 1 1 114 114 ASP N N 114 121.457 121.457 119.951 1.506 18487 2582 1 5 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.739 -0.114 18487 2583 1 5 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.722 1.353 18487 2584 1 5 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.768 -0.771 18487 2585 1 5 . 1 1 114 114 ASP H H 114 8.560 8.560 8.528 0.032 18487 2586 1 5 . 1 1 115 115 VAL N N 115 120.645 120.645 122.703 -2.058 18487 2587 1 5 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.767 0.312 18487 2588 1 5 . 1 1 115 115 VAL CA C 115 63.518 63.518 65.600 -2.082 18487 2589 1 5 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.170 -0.337 18487 2590 1 5 . 1 1 115 115 VAL H H 115 8.659 8.659 8.597 0.062 18487 2591 1 5 . 1 1 116 116 ILE N N 116 120.775 120.775 111.575 9.200 18487 2592 1 5 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.340 0.323 18487 2593 1 5 . 1 1 116 116 ILE CA C 116 59.736 59.736 61.366 -1.630 18487 2594 1 5 . 1 1 116 116 ILE CB C 116 39.798 39.798 40.545 -0.747 18487 2595 1 5 . 1 1 116 116 ILE H H 116 7.881 7.881 8.118 -0.237 18487 2596 1 5 . 1 1 117 117 SER N N 117 121.192 121.192 113.902 7.290 18487 2597 1 5 . 1 1 117 117 SER HA H 117 4.641 4.641 4.860 -0.219 18487 2598 1 5 . 1 1 117 117 SER CA C 117 57.846 57.846 57.508 0.338 18487 2599 1 5 . 1 1 117 117 SER CB C 117 63.962 63.962 65.513 -1.551 18487 2600 1 5 . 1 1 117 117 SER H H 117 8.767 8.767 7.641 1.126 18487 2601 1 5 . 1 1 118 118 LYS N N 118 124.317 124.317 121.945 2.372 18487 2602 1 5 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.473 -0.117 18487 2603 1 5 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.095 0.442 18487 2604 1 5 . 1 1 118 118 LYS CB C 118 33.050 33.050 31.323 1.728 18487 2605 1 5 . 1 1 118 118 LYS H H 118 8.633 8.633 8.826 -0.193 18487 2606 1 6 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.813 -0.133 18487 2607 1 6 . 1 1 11 11 MET N N 11 120.918 120.918 124.996 -4.078 18487 2608 1 6 . 1 1 11 11 MET HA H 11 4.435 4.435 4.613 -0.178 18487 2609 1 6 . 1 1 11 11 MET CA C 11 55.736 55.736 55.484 0.252 18487 2610 1 6 . 1 1 11 11 MET CB C 11 32.501 32.501 34.694 -2.193 18487 2611 1 6 . 1 1 11 11 MET H H 11 8.289 8.289 7.965 0.324 18487 2612 1 6 . 1 1 12 12 ASN N N 12 120.356 120.356 122.926 -2.570 18487 2613 1 6 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.799 -0.041 18487 2614 1 6 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.522 -0.034 18487 2615 1 6 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.786 -0.210 18487 2616 1 6 . 1 1 12 12 ASN H H 12 8.583 8.583 8.649 -0.066 18487 2617 1 6 . 1 1 13 13 SER N N 13 116.582 116.582 118.823 -2.241 18487 2618 1 6 . 1 1 13 13 SER HA H 13 4.378 4.378 4.742 -0.364 18487 2619 1 6 . 1 1 13 13 SER CA C 13 58.842 58.842 58.297 0.545 18487 2620 1 6 . 1 1 13 13 SER CB C 13 63.403 63.403 63.312 0.091 18487 2621 1 6 . 1 1 13 13 SER H H 13 8.319 8.319 8.589 -0.270 18487 2622 1 6 . 1 1 14 14 GLN N N 14 121.369 121.369 122.351 -0.982 18487 2623 1 6 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.443 -0.125 18487 2624 1 6 . 1 1 14 14 GLN CA C 14 56.099 56.099 56.358 -0.259 18487 2625 1 6 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.601 -0.657 18487 2626 1 6 . 1 1 14 14 GLN H H 14 8.365 8.365 8.487 -0.122 18487 2627 1 6 . 1 1 15 15 ARG N N 15 121.565 121.565 121.055 0.510 18487 2628 1 6 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.654 -0.340 18487 2629 1 6 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.841 0.047 18487 2630 1 6 . 1 1 15 15 ARG CB C 15 30.427 30.427 31.356 -0.929 18487 2631 1 6 . 1 1 15 15 ARG H H 15 8.084 8.084 7.961 0.123 18487 2632 1 6 . 1 1 16 16 LEU N N 16 123.810 123.810 119.909 3.901 18487 2633 1 6 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.646 -0.303 18487 2634 1 6 . 1 1 16 16 LEU CA C 16 54.640 54.640 54.429 0.211 18487 2635 1 6 . 1 1 16 16 LEU CB C 16 42.062 42.062 43.833 -1.770 18487 2636 1 6 . 1 1 16 16 LEU H H 16 8.254 8.254 8.375 -0.121 18487 2637 1 6 . 1 1 17 17 ILE N N 17 122.996 122.996 123.489 -0.493 18487 2638 1 6 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.455 -0.301 18487 2639 1 6 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.226 -0.012 18487 2640 1 6 . 1 1 17 17 ILE CB C 17 38.784 38.784 39.140 -0.356 18487 2641 1 6 . 1 1 17 17 ILE H H 17 8.006 8.006 8.114 -0.108 18487 2642 1 6 . 1 1 18 18 HIS N N 18 126.123 126.123 126.821 -0.698 18487 2643 1 6 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.463 0.382 18487 2644 1 6 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.934 -1.729 18487 2645 1 6 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.788 0.409 18487 2646 1 6 . 1 1 18 18 HIS H H 18 9.025 9.025 8.729 0.296 18487 2647 1 6 . 1 1 19 19 ILE N N 19 124.783 124.783 124.848 -0.065 18487 2648 1 6 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.799 0.191 18487 2649 1 6 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.970 -1.462 18487 2650 1 6 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.877 -0.527 18487 2651 1 6 . 1 1 19 19 ILE H H 19 8.485 8.485 8.418 0.067 18487 2652 1 6 . 1 1 20 20 LYS N N 20 128.184 128.184 128.979 -0.795 18487 2653 1 6 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.554 0.205 18487 2654 1 6 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.133 -1.004 18487 2655 1 6 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.502 1.139 18487 2656 1 6 . 1 1 20 20 LYS H H 20 9.253 9.253 8.764 0.489 18487 2657 1 6 . 1 1 21 21 THR N N 21 114.649 114.649 121.985 -7.336 18487 2658 1 6 . 1 1 21 21 THR HA H 21 4.930 4.930 4.479 0.451 18487 2659 1 6 . 1 1 21 21 THR CA C 21 60.191 60.191 60.894 -0.703 18487 2660 1 6 . 1 1 21 21 THR CB C 21 69.966 69.966 68.242 1.724 18487 2661 1 6 . 1 1 21 21 THR H H 21 8.232 8.232 8.355 -0.123 18487 2662 1 6 . 1 1 22 22 LEU N N 22 125.973 125.973 129.381 -3.408 18487 2663 1 6 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.577 0.102 18487 2664 1 6 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.965 -0.212 18487 2665 1 6 . 1 1 22 22 LEU CB C 22 45.134 45.134 43.475 1.659 18487 2666 1 6 . 1 1 22 22 LEU H H 22 9.156 9.156 8.693 0.463 18487 2667 1 6 . 1 1 23 23 THR N N 23 112.582 112.582 111.913 0.669 18487 2668 1 6 . 1 1 23 23 THR HA H 23 4.281 4.281 4.359 -0.078 18487 2669 1 6 . 1 1 23 23 THR CA C 23 61.474 61.474 61.617 -0.144 18487 2670 1 6 . 1 1 23 23 THR CB C 23 69.759 69.759 69.499 0.260 18487 2671 1 6 . 1 1 23 23 THR H H 23 7.912 7.912 8.116 -0.204 18487 2672 1 6 . 1 1 24 24 THR N N 24 112.952 112.952 117.046 -4.094 18487 2673 1 6 . 1 1 24 24 THR HA H 24 5.040 5.040 4.787 0.253 18487 2674 1 6 . 1 1 24 24 THR CA C 24 60.000 60.000 58.789 1.211 18487 2675 1 6 . 1 1 24 24 THR CB C 24 69.872 69.872 68.606 1.266 18487 2676 1 6 . 1 1 24 24 THR H H 24 8.793 8.793 8.057 0.736 18487 2677 1 6 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.278 0.167 18487 2678 1 6 . 1 1 25 25 PRO CA C 25 64.322 64.322 64.393 -0.071 18487 2679 1 6 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.936 -0.356 18487 2680 1 6 . 1 1 26 26 ASN N N 26 115.534 115.534 117.486 -1.952 18487 2681 1 6 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.735 0.200 18487 2682 1 6 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.328 -1.291 18487 2683 1 6 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.215 -0.493 18487 2684 1 6 . 1 1 26 26 ASN H H 26 7.774 7.774 7.937 -0.163 18487 2685 1 6 . 1 1 27 27 GLU N N 27 127.099 127.099 122.685 4.414 18487 2686 1 6 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.223 0.187 18487 2687 1 6 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.388 0.570 18487 2688 1 6 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.942 -0.837 18487 2689 1 6 . 1 1 27 27 GLU H H 27 9.428 9.428 8.791 0.637 18487 2690 1 6 . 1 1 28 28 ASN N N 28 115.176 115.176 117.664 -2.488 18487 2691 1 6 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.896 0.090 18487 2692 1 6 . 1 1 28 28 ASN CA C 28 53.784 53.784 53.788 -0.005 18487 2693 1 6 . 1 1 28 28 ASN CB C 28 38.545 38.545 39.559 -1.014 18487 2694 1 6 . 1 1 28 28 ASN H H 28 8.591 8.591 8.679 -0.088 18487 2695 1 6 . 1 1 29 29 ALA N N 29 123.317 123.317 122.834 0.483 18487 2696 1 6 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.167 1.209 18487 2697 1 6 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.120 0.190 18487 2698 1 6 . 1 1 29 29 ALA CB C 29 22.158 22.158 19.881 2.277 18487 2699 1 6 . 1 1 29 29 ALA H H 29 8.210 8.210 7.467 0.743 18487 2700 1 6 . 1 1 30 30 LEU N N 30 124.426 124.426 125.881 -1.455 18487 2701 1 6 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.638 -0.130 18487 2702 1 6 . 1 1 30 30 LEU CA C 30 53.660 53.660 53.960 -0.300 18487 2703 1 6 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.002 0.549 18487 2704 1 6 . 1 1 30 30 LEU H H 30 8.550 8.550 8.631 -0.081 18487 2705 1 6 . 1 1 31 31 LYS N N 31 123.555 123.555 127.020 -3.465 18487 2706 1 6 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.645 0.494 18487 2707 1 6 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.280 -0.197 18487 2708 1 6 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.034 2.137 18487 2709 1 6 . 1 1 31 31 LYS H H 31 8.169 8.169 8.249 -0.080 18487 2710 1 6 . 1 1 32 32 PHE N N 32 124.529 124.529 125.405 -0.876 18487 2711 1 6 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.516 0.459 18487 2712 1 6 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.627 -1.153 18487 2713 1 6 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.064 0.013 18487 2714 1 6 . 1 1 32 32 PHE H H 32 9.634 9.634 8.939 0.695 18487 2715 1 6 . 1 1 33 33 LEU N N 33 122.712 122.712 125.342 -2.630 18487 2716 1 6 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.208 -0.144 18487 2717 1 6 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.109 1.278 18487 2718 1 6 . 1 1 33 33 LEU CB C 33 45.826 45.826 46.322 -0.495 18487 2719 1 6 . 1 1 33 33 LEU H H 33 9.174 9.174 8.668 0.506 18487 2720 1 6 . 1 1 34 34 SER N N 34 117.120 117.120 120.680 -3.560 18487 2721 1 6 . 1 1 34 34 SER HA H 34 5.116 5.116 4.894 0.222 18487 2722 1 6 . 1 1 34 34 SER CA C 34 56.626 56.626 57.731 -1.105 18487 2723 1 6 . 1 1 34 34 SER CB C 34 64.053 64.053 63.644 0.409 18487 2724 1 6 . 1 1 34 34 SER H H 34 8.979 8.979 8.425 0.554 18487 2725 1 6 . 1 1 35 35 THR N N 35 117.097 117.097 119.556 -2.459 18487 2726 1 6 . 1 1 35 35 THR HA H 35 4.460 4.460 4.565 -0.105 18487 2727 1 6 . 1 1 35 35 THR CA C 35 62.944 62.944 62.756 0.188 18487 2728 1 6 . 1 1 35 35 THR CB C 35 69.779 69.779 69.324 0.455 18487 2729 1 6 . 1 1 35 35 THR H H 35 8.646 8.646 8.595 0.051 18487 2730 1 6 . 1 1 36 36 ASP N N 36 120.039 120.039 122.311 -2.272 18487 2731 1 6 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.861 -0.006 18487 2732 1 6 . 1 1 36 36 ASP CA C 36 54.741 54.741 53.879 0.862 18487 2733 1 6 . 1 1 36 36 ASP CB C 36 41.519 41.519 40.714 0.805 18487 2734 1 6 . 1 1 36 36 ASP H H 36 8.711 8.711 7.817 0.894 18487 2735 1 6 . 1 1 37 37 GLY N N 37 107.015 107.015 110.004 -2.989 18487 2736 1 6 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.529 0.101 18487 2737 1 6 . 1 1 37 37 GLY H H 37 8.020 8.020 8.503 -0.483 18487 2738 1 6 . 1 1 38 38 GLU N N 38 120.021 120.021 125.153 -5.132 18487 2739 1 6 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.149 0.129 18487 2740 1 6 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.324 0.819 18487 2741 1 6 . 1 1 38 38 GLU CB C 38 29.317 29.317 28.387 0.930 18487 2742 1 6 . 1 1 38 38 GLU H H 38 8.101 8.101 8.017 0.084 18487 2743 1 6 . 1 1 39 39 MET N N 39 121.372 121.372 124.115 -2.743 18487 2744 1 6 . 1 1 39 39 MET HA H 39 4.799 4.799 4.400 0.399 18487 2745 1 6 . 1 1 39 39 MET CA C 39 54.229 54.229 55.798 -1.569 18487 2746 1 6 . 1 1 39 39 MET CB C 39 33.392 33.392 33.318 0.074 18487 2747 1 6 . 1 1 39 39 MET H H 39 8.571 8.571 8.127 0.444 18487 2748 1 6 . 1 1 40 40 LEU N N 40 121.913 121.913 125.459 -3.546 18487 2749 1 6 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.120 0.139 18487 2750 1 6 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.686 0.458 18487 2751 1 6 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.180 0.246 18487 2752 1 6 . 1 1 40 40 LEU H H 40 8.572 8.572 8.256 0.316 18487 2753 1 6 . 1 1 41 41 GLN N N 41 114.647 114.647 115.215 -0.568 18487 2754 1 6 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.563 0.105 18487 2755 1 6 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.345 0.052 18487 2756 1 6 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.076 3.214 18487 2757 1 6 . 1 1 41 41 GLN H H 41 8.420 8.420 7.554 0.866 18487 2758 1 6 . 1 1 42 42 THR N N 42 111.706 111.706 114.882 -3.176 18487 2759 1 6 . 1 1 42 42 THR HA H 42 4.038 4.038 4.081 -0.043 18487 2760 1 6 . 1 1 42 42 THR CA C 42 63.082 63.082 62.385 0.697 18487 2761 1 6 . 1 1 42 42 THR CB C 42 69.264 69.264 69.510 -0.246 18487 2762 1 6 . 1 1 42 42 THR H H 42 8.205 8.205 8.401 -0.196 18487 2763 1 6 . 1 1 43 43 ARG N N 43 126.367 126.367 127.382 -1.015 18487 2764 1 6 . 1 1 43 43 ARG HA H 43 4.149 4.149 3.980 0.169 18487 2765 1 6 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.495 -0.062 18487 2766 1 6 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.157 -1.230 18487 2767 1 6 . 1 1 43 43 ARG H H 43 8.885 8.885 8.720 0.165 18487 2768 1 6 . 1 1 44 44 GLY N N 44 116.299 116.299 113.924 2.375 18487 2769 1 6 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.634 0.242 18487 2770 1 6 . 1 1 44 44 GLY H H 44 9.999 9.999 8.948 1.051 18487 2771 1 6 . 1 1 45 45 SER N N 45 117.374 117.374 116.870 0.504 18487 2772 1 6 . 1 1 45 45 SER HA H 45 4.316 4.316 4.448 -0.132 18487 2773 1 6 . 1 1 45 45 SER CA C 45 59.967 59.967 58.508 1.459 18487 2774 1 6 . 1 1 45 45 SER CB C 45 63.866 63.866 64.138 -0.272 18487 2775 1 6 . 1 1 45 45 SER H H 45 8.034 8.034 8.093 -0.059 18487 2776 1 6 . 1 1 46 46 LYS N N 46 124.024 124.024 120.893 3.131 18487 2777 1 6 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.508 -0.251 18487 2778 1 6 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.193 1.109 18487 2779 1 6 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.560 -0.883 18487 2780 1 6 . 1 1 46 46 LYS H H 46 8.560 8.560 8.383 0.177 18487 2781 1 6 . 1 1 47 47 SER N N 47 119.851 119.851 117.880 1.971 18487 2782 1 6 . 1 1 47 47 SER HA H 47 4.824 4.824 4.684 0.140 18487 2783 1 6 . 1 1 47 47 SER CA C 47 57.920 57.920 58.504 -0.584 18487 2784 1 6 . 1 1 47 47 SER CB C 47 63.770 63.770 62.650 1.120 18487 2785 1 6 . 1 1 47 47 SER H H 47 8.663 8.663 8.520 0.143 18487 2786 1 6 . 1 1 48 48 ILE N N 48 124.054 124.054 127.405 -3.351 18487 2787 1 6 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.996 0.361 18487 2788 1 6 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.562 -1.450 18487 2789 1 6 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.700 3.397 18487 2790 1 6 . 1 1 48 48 ILE H H 48 8.619 8.619 8.499 0.120 18487 2791 1 6 . 1 1 49 49 VAL N N 49 128.260 128.260 128.968 -0.708 18487 2792 1 6 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.314 0.418 18487 2793 1 6 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.202 -0.190 18487 2794 1 6 . 1 1 49 49 VAL CB C 49 32.611 32.611 30.820 1.791 18487 2795 1 6 . 1 1 49 49 VAL H H 49 8.498 8.498 8.533 -0.035 18487 2796 1 6 . 1 1 50 50 ILE N N 50 127.715 127.715 130.635 -2.920 18487 2797 1 6 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.321 0.182 18487 2798 1 6 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.553 0.937 18487 2799 1 6 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.057 2.406 18487 2800 1 6 . 1 1 50 50 ILE H H 50 9.236 9.236 8.676 0.560 18487 2801 1 6 . 1 1 51 51 LYS N N 51 127.422 127.422 127.124 0.298 18487 2802 1 6 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.707 -0.047 18487 2803 1 6 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.521 0.029 18487 2804 1 6 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.829 0.114 18487 2805 1 6 . 1 1 51 51 LYS H H 51 9.673 9.673 8.153 1.520 18487 2806 1 6 . 1 1 52 52 ASN N N 52 117.981 117.981 118.193 -0.212 18487 2807 1 6 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.791 -1.043 18487 2808 1 6 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.638 0.529 18487 2809 1 6 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.619 -1.236 18487 2810 1 6 . 1 1 52 52 ASN H H 52 8.119 8.119 8.651 -0.532 18487 2811 1 6 . 1 1 53 53 THR N N 53 105.425 105.425 108.707 -3.282 18487 2812 1 6 . 1 1 53 53 THR HA H 53 4.218 4.218 4.215 0.003 18487 2813 1 6 . 1 1 53 53 THR CA C 53 60.619 60.619 63.081 -2.462 18487 2814 1 6 . 1 1 53 53 THR CB C 53 69.221 69.221 69.108 0.113 18487 2815 1 6 . 1 1 53 53 THR H H 53 6.908 6.908 7.932 -1.024 18487 2816 1 6 . 1 1 54 54 ASP N N 54 125.547 125.547 123.997 1.550 18487 2817 1 6 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.729 0.237 18487 2818 1 6 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.196 -0.682 18487 2819 1 6 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.859 0.097 18487 2820 1 6 . 1 1 54 54 ASP H H 54 7.811 7.811 7.612 0.199 18487 2821 1 6 . 1 1 55 55 GLU N N 55 123.946 123.946 123.790 0.156 18487 2822 1 6 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.828 -0.005 18487 2823 1 6 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.646 0.478 18487 2824 1 6 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.668 0.264 18487 2825 1 6 . 1 1 55 55 GLU H H 55 7.919 7.919 7.665 0.254 18487 2826 1 6 . 1 1 56 56 ASN N N 56 115.295 115.295 117.127 -1.832 18487 2827 1 6 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.423 0.131 18487 2828 1 6 . 1 1 56 56 ASN CA C 56 56.108 56.108 56.041 0.067 18487 2829 1 6 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.326 -0.059 18487 2830 1 6 . 1 1 56 56 ASN H H 56 8.728 8.728 8.609 0.119 18487 2831 1 6 . 1 1 57 57 LEU N N 57 120.223 120.223 117.774 2.449 18487 2832 1 6 . 1 1 57 57 LEU HA H 57 4.235 4.235 3.351 0.884 18487 2833 1 6 . 1 1 57 57 LEU CA C 57 57.589 57.589 56.493 1.096 18487 2834 1 6 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.050 0.862 18487 2835 1 6 . 1 1 57 57 LEU H H 57 7.621 7.621 7.285 0.336 18487 2836 1 6 . 1 1 58 58 ILE N N 58 120.489 120.489 117.015 3.474 18487 2837 1 6 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.734 -0.198 18487 2838 1 6 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.157 2.182 18487 2839 1 6 . 1 1 58 58 ILE CB C 58 38.393 38.393 38.210 0.183 18487 2840 1 6 . 1 1 58 58 ILE H H 58 8.461 8.461 7.244 1.217 18487 2841 1 6 . 1 1 59 59 ASN N N 59 114.873 114.873 117.582 -2.709 18487 2842 1 6 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.435 0.043 18487 2843 1 6 . 1 1 59 59 ASN CA C 59 54.955 54.955 56.155 -1.200 18487 2844 1 6 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.647 -0.612 18487 2845 1 6 . 1 1 59 59 ASN H H 59 7.958 7.958 8.087 -0.129 18487 2846 1 6 . 1 1 60 60 HIS N N 60 115.059 115.059 112.268 2.791 18487 2847 1 6 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.826 -0.058 18487 2848 1 6 . 1 1 60 60 HIS CA C 60 56.337 56.337 54.306 2.031 18487 2849 1 6 . 1 1 60 60 HIS CB C 60 29.816 29.816 29.840 -0.024 18487 2850 1 6 . 1 1 60 60 HIS H H 60 7.633 7.633 7.243 0.390 18487 2851 1 6 . 1 1 61 61 SER N N 61 115.447 115.447 114.286 1.161 18487 2852 1 6 . 1 1 61 61 SER HA H 61 5.135 5.135 4.949 0.186 18487 2853 1 6 . 1 1 61 61 SER CA C 61 56.072 56.072 57.266 -1.194 18487 2854 1 6 . 1 1 61 61 SER CB C 61 63.806 63.806 64.809 -1.003 18487 2855 1 6 . 1 1 61 61 SER H H 61 7.849 7.849 7.583 0.266 18487 2856 1 6 . 1 1 62 62 LYS N N 62 132.090 132.090 130.464 1.626 18487 2857 1 6 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.275 -0.231 18487 2858 1 6 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.606 -0.061 18487 2859 1 6 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.488 -0.949 18487 2860 1 6 . 1 1 62 62 LYS H H 62 9.021 9.021 8.838 0.183 18487 2861 1 6 . 1 1 63 63 LEU N N 63 118.793 118.793 119.037 -0.244 18487 2862 1 6 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.038 0.088 18487 2863 1 6 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.579 0.071 18487 2864 1 6 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.516 0.263 18487 2865 1 6 . 1 1 63 63 LEU H H 63 8.567 8.567 8.122 0.445 18487 2866 1 6 . 1 1 64 64 ALA N N 64 118.752 118.752 120.278 -1.526 18487 2867 1 6 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.784 -0.164 18487 2868 1 6 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.057 0.000 18487 2869 1 6 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.297 0.288 18487 2870 1 6 . 1 1 64 64 ALA H H 64 7.645 7.645 7.387 0.258 18487 2871 1 6 . 1 1 65 65 GLN N N 65 115.176 115.176 117.991 -2.815 18487 2872 1 6 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.923 0.023 18487 2873 1 6 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.255 0.002 18487 2874 1 6 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.611 -0.011 18487 2875 1 6 . 1 1 65 65 GLN H H 65 8.539 8.539 8.073 0.466 18487 2876 1 6 . 1 1 66 66 GLN N N 66 115.801 115.801 118.275 -2.474 18487 2877 1 6 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.118 -0.052 18487 2878 1 6 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.351 0.209 18487 2879 1 6 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.436 1.062 18487 2880 1 6 . 1 1 66 66 GLN H H 66 8.125 8.125 8.035 0.090 18487 2881 1 6 . 1 1 67 67 ILE N N 67 119.874 119.874 120.526 -0.652 18487 2882 1 6 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.626 -0.289 18487 2883 1 6 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.367 0.676 18487 2884 1 6 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.751 -0.833 18487 2885 1 6 . 1 1 67 67 ILE H H 67 8.281 8.281 7.943 0.338 18487 2886 1 6 . 1 1 68 68 PHE N N 68 114.873 114.873 117.820 -2.947 18487 2887 1 6 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.491 0.004 18487 2888 1 6 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.942 -0.251 18487 2889 1 6 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.361 -0.713 18487 2890 1 6 . 1 1 68 68 PHE H H 68 8.255 8.255 7.926 0.329 18487 2891 1 6 . 1 1 69 69 LEU N N 69 117.763 117.763 120.272 -2.509 18487 2892 1 6 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.068 0.227 18487 2893 1 6 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.805 -0.469 18487 2894 1 6 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.019 1.109 18487 2895 1 6 . 1 1 69 69 LEU H H 69 7.747 7.747 7.980 -0.233 18487 2896 1 6 . 1 1 70 70 GLN N N 70 115.040 115.040 116.552 -1.512 18487 2897 1 6 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.171 0.141 18487 2898 1 6 . 1 1 70 70 GLN CA C 70 57.230 57.230 58.448 -1.218 18487 2899 1 6 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.031 -0.009 18487 2900 1 6 . 1 1 70 70 GLN H H 70 8.308 8.308 8.127 0.181 18487 2901 1 6 . 1 1 71 71 CYS N N 71 115.881 115.881 115.806 0.075 18487 2902 1 6 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.859 0.099 18487 2903 1 6 . 1 1 71 71 CYS CA C 71 55.401 55.401 56.076 -0.675 18487 2904 1 6 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.443 -0.708 18487 2905 1 6 . 1 1 71 71 CYS H H 71 8.242 8.242 7.838 0.404 18487 2906 1 6 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.659 -0.096 18487 2907 1 6 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.721 0.288 18487 2908 1 6 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.332 -0.921 18487 2909 1 6 . 1 1 73 73 GLY N N 73 106.975 106.975 107.136 -0.161 18487 2910 1 6 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.464 0.814 18487 2911 1 6 . 1 1 73 73 GLY H H 73 8.657 8.657 8.393 0.264 18487 2912 1 6 . 1 1 74 74 VAL N N 74 119.448 119.448 120.913 -1.465 18487 2913 1 6 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.078 -0.098 18487 2914 1 6 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.498 0.302 18487 2915 1 6 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.762 -0.262 18487 2916 1 6 . 1 1 74 74 VAL H H 74 7.747 7.747 7.219 0.528 18487 2917 1 6 . 1 1 75 75 GLU N N 75 129.063 129.063 127.036 2.027 18487 2918 1 6 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.281 0.186 18487 2919 1 6 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.291 -0.261 18487 2920 1 6 . 1 1 75 75 GLU CB C 75 31.612 31.612 30.841 0.771 18487 2921 1 6 . 1 1 75 75 GLU H H 75 8.994 8.994 8.594 0.400 18487 2922 1 6 . 1 1 76 76 SER N N 76 110.068 110.068 111.524 -1.456 18487 2923 1 6 . 1 1 76 76 SER HA H 76 5.283 5.283 5.190 0.093 18487 2924 1 6 . 1 1 76 76 SER CA C 76 57.395 57.395 57.675 -0.280 18487 2925 1 6 . 1 1 76 76 SER CB C 76 65.281 65.281 65.162 0.119 18487 2926 1 6 . 1 1 76 76 SER H H 76 8.306 8.306 7.706 0.600 18487 2927 1 6 . 1 1 77 77 LEU N N 77 117.334 117.334 122.821 -5.487 18487 2928 1 6 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.117 0.284 18487 2929 1 6 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.507 0.075 18487 2930 1 6 . 1 1 77 77 LEU CB C 77 46.173 46.173 44.828 1.345 18487 2931 1 6 . 1 1 77 77 LEU H H 77 9.250 9.250 9.247 0.003 18487 2932 1 6 . 1 1 78 78 MET N N 78 121.119 121.119 121.205 -0.086 18487 2933 1 6 . 1 1 78 78 MET HA H 78 5.367 5.367 5.097 0.270 18487 2934 1 6 . 1 1 78 78 MET CA C 78 53.966 53.966 54.418 -0.452 18487 2935 1 6 . 1 1 78 78 MET CB C 78 36.374 36.374 36.106 0.268 18487 2936 1 6 . 1 1 78 78 MET H H 78 9.333 9.333 8.445 0.888 18487 2937 1 6 . 1 1 79 79 ILE N N 79 127.512 127.512 126.827 0.685 18487 2938 1 6 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.338 -0.346 18487 2939 1 6 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.270 2.356 18487 2940 1 6 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.866 1.521 18487 2941 1 6 . 1 1 79 79 ILE H H 79 9.396 9.396 8.628 0.768 18487 2942 1 6 . 1 1 80 80 GLY N N 80 117.437 117.437 113.190 4.247 18487 2943 1 6 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.593 1.017 18487 2944 1 6 . 1 1 80 80 GLY H H 80 7.916 7.916 7.861 0.055 18487 2945 1 6 . 1 1 81 81 ASP N N 81 118.860 118.860 118.732 0.128 18487 2946 1 6 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.605 0.068 18487 2947 1 6 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.042 -3.008 18487 2948 1 6 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.224 -1.550 18487 2949 1 6 . 1 1 81 81 ASP H H 81 7.983 7.983 8.280 -0.297 18487 2950 1 6 . 1 1 82 82 ASP N N 82 118.682 118.682 115.910 2.772 18487 2951 1 6 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.583 0.236 18487 2952 1 6 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.990 -3.852 18487 2953 1 6 . 1 1 82 82 ASP CB C 82 40.994 40.994 40.828 0.166 18487 2954 1 6 . 1 1 82 82 ASP H H 82 9.164 9.164 8.776 0.388 18487 2955 1 6 . 1 1 83 83 PHE N N 83 110.898 110.898 113.638 -2.740 18487 2956 1 6 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.955 -0.105 18487 2957 1 6 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.903 0.062 18487 2958 1 6 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.142 0.604 18487 2959 1 6 . 1 1 83 83 PHE H H 83 6.887 6.887 7.074 -0.187 18487 2960 1 6 . 1 1 84 84 LEU N N 84 121.119 121.119 122.535 -1.416 18487 2961 1 6 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.202 0.031 18487 2962 1 6 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.996 -1.030 18487 2963 1 6 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.184 2.224 18487 2964 1 6 . 1 1 84 84 LEU H H 84 9.118 9.118 8.870 0.248 18487 2965 1 6 . 1 1 85 85 THR N N 85 125.430 125.430 126.257 -0.827 18487 2966 1 6 . 1 1 85 85 THR HA H 85 5.639 5.639 5.189 0.450 18487 2967 1 6 . 1 1 85 85 THR CA C 85 61.743 61.743 62.393 -0.650 18487 2968 1 6 . 1 1 85 85 THR CB C 85 69.835 69.835 69.372 0.463 18487 2969 1 6 . 1 1 85 85 THR H H 85 9.780 9.780 9.008 0.772 18487 2970 1 6 . 1 1 86 86 ILE N N 86 126.778 126.778 128.601 -1.823 18487 2971 1 6 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.301 0.410 18487 2972 1 6 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.275 -1.570 18487 2973 1 6 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.503 1.841 18487 2974 1 6 . 1 1 86 86 ILE H H 86 9.151 9.151 8.648 0.503 18487 2975 1 6 . 1 1 87 87 ASN N N 87 124.785 124.785 126.271 -1.486 18487 2976 1 6 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.657 0.369 18487 2977 1 6 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.345 -0.313 18487 2978 1 6 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.161 -1.482 18487 2979 1 6 . 1 1 87 87 ASN H H 87 8.680 8.680 8.937 -0.257 18487 2980 1 6 . 1 1 88 88 LYS N N 88 122.617 122.617 121.561 1.056 18487 2981 1 6 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.986 0.253 18487 2982 1 6 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.873 -0.359 18487 2983 1 6 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.872 1.383 18487 2984 1 6 . 1 1 88 88 LYS H H 88 9.361 9.361 8.069 1.292 18487 2985 1 6 . 1 1 89 89 ASP N N 89 121.211 121.211 120.452 0.759 18487 2986 1 6 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.734 -0.273 18487 2987 1 6 . 1 1 89 89 ASP CA C 89 53.895 53.895 52.955 0.940 18487 2988 1 6 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.354 -0.610 18487 2989 1 6 . 1 1 89 89 ASP H H 89 8.454 8.454 8.029 0.425 18487 2990 1 6 . 1 1 90 90 ARG N N 90 124.551 124.551 126.015 -1.464 18487 2991 1 6 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.104 -0.030 18487 2992 1 6 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.266 -0.157 18487 2993 1 6 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.644 0.251 18487 2994 1 6 . 1 1 90 90 ARG H H 90 8.475 8.475 8.660 -0.185 18487 2995 1 6 . 1 1 91 91 MET N N 91 115.821 115.821 116.671 -0.850 18487 2996 1 6 . 1 1 91 91 MET HA H 91 4.424 4.424 4.167 0.257 18487 2997 1 6 . 1 1 91 91 MET CA C 91 55.206 55.206 57.261 -2.055 18487 2998 1 6 . 1 1 91 91 MET CB C 91 31.307 31.307 33.091 -1.784 18487 2999 1 6 . 1 1 91 91 MET H H 91 8.725 8.725 7.641 1.084 18487 3000 1 6 . 1 1 92 92 VAL N N 92 119.922 119.922 117.926 1.996 18487 3001 1 6 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.946 0.160 18487 3002 1 6 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.136 -0.079 18487 3003 1 6 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.206 0.938 18487 3004 1 6 . 1 1 92 92 VAL H H 92 7.348 7.348 7.276 0.072 18487 3005 1 6 . 1 1 93 93 HIS N N 93 125.619 125.619 124.069 1.550 18487 3006 1 6 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.752 -0.156 18487 3007 1 6 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.255 0.139 18487 3008 1 6 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.613 0.045 18487 3009 1 6 . 1 1 93 93 HIS H H 93 8.851 8.851 8.300 0.551 18487 3010 1 6 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.470 0.530 18487 3011 1 6 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.319 -0.319 18487 3012 1 6 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.337 0.663 18487 3013 1 6 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.497 0.200 18487 3014 1 6 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.819 0.208 18487 3015 1 6 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.172 -1.021 18487 3016 1 6 . 1 1 96 96 SER N N 96 113.047 113.047 112.202 0.845 18487 3017 1 6 . 1 1 96 96 SER HA H 96 4.628 4.628 4.583 0.045 18487 3018 1 6 . 1 1 96 96 SER CA C 96 60.183 60.183 59.047 1.136 18487 3019 1 6 . 1 1 96 96 SER CB C 96 63.901 63.901 64.166 -0.265 18487 3020 1 6 . 1 1 96 96 SER H H 96 8.064 8.064 7.755 0.309 18487 3021 1 6 . 1 1 97 97 ILE N N 97 116.621 116.621 122.826 -6.205 18487 3022 1 6 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.299 0.343 18487 3023 1 6 . 1 1 97 97 ILE CA C 97 62.778 62.778 62.862 -0.084 18487 3024 1 6 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.661 3.766 18487 3025 1 6 . 1 1 97 97 ILE H H 97 7.705 7.705 7.457 0.248 18487 3026 1 6 . 1 1 98 98 LYS N N 98 120.198 120.198 121.294 -1.096 18487 3027 1 6 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.499 -0.242 18487 3028 1 6 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.181 0.532 18487 3029 1 6 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.118 -0.145 18487 3030 1 6 . 1 1 98 98 LYS H H 98 9.132 9.132 8.290 0.842 18487 3031 1 6 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.361 -0.077 18487 3032 1 6 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.970 0.364 18487 3033 1 6 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.990 -0.589 18487 3034 1 6 . 1 1 100 100 GLU N N 100 117.097 117.097 118.511 -1.414 18487 3035 1 6 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.121 0.031 18487 3036 1 6 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.961 -0.142 18487 3037 1 6 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.724 0.692 18487 3038 1 6 . 1 1 100 100 GLU H H 100 7.447 7.447 7.770 -0.323 18487 3039 1 6 . 1 1 101 101 ILE N N 101 118.326 118.326 120.625 -2.299 18487 3040 1 6 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.590 -0.226 18487 3041 1 6 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.459 -2.098 18487 3042 1 6 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.758 -1.909 18487 3043 1 6 . 1 1 101 101 ILE H H 101 7.896 7.896 7.713 0.183 18487 3044 1 6 . 1 1 102 102 ILE N N 102 118.368 118.368 120.243 -1.875 18487 3045 1 6 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.539 -0.131 18487 3046 1 6 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.761 0.485 18487 3047 1 6 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.617 -0.377 18487 3048 1 6 . 1 1 102 102 ILE H H 102 8.243 8.243 8.363 -0.120 18487 3049 1 6 . 1 1 103 103 ASP N N 103 122.381 122.381 119.973 2.408 18487 3050 1 6 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.345 0.033 18487 3051 1 6 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.513 0.469 18487 3052 1 6 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.889 0.645 18487 3053 1 6 . 1 1 103 103 ASP H H 103 7.900 7.900 7.769 0.131 18487 3054 1 6 . 1 1 104 104 LEU N N 104 119.007 119.007 120.300 -1.293 18487 3055 1 6 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.982 0.016 18487 3056 1 6 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.730 0.009 18487 3057 1 6 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.904 0.238 18487 3058 1 6 . 1 1 104 104 LEU H H 104 8.261 8.261 7.805 0.456 18487 3059 1 6 . 1 1 105 105 LEU N N 105 120.443 120.443 119.686 0.757 18487 3060 1 6 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.031 -0.044 18487 3061 1 6 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.248 -0.747 18487 3062 1 6 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.029 1.058 18487 3063 1 6 . 1 1 105 105 LEU H H 105 9.022 9.022 8.352 0.670 18487 3064 1 6 . 1 1 106 106 THR N N 106 114.821 114.821 115.343 -0.522 18487 3065 1 6 . 1 1 106 106 THR HA H 106 3.698 3.698 3.969 -0.271 18487 3066 1 6 . 1 1 106 106 THR CA C 106 67.610 67.610 66.685 0.925 18487 3067 1 6 . 1 1 106 106 THR CB C 106 68.325 68.325 68.392 -0.067 18487 3068 1 6 . 1 1 106 106 THR H H 106 8.273 8.273 7.906 0.367 18487 3069 1 6 . 1 1 107 107 LYS N N 107 120.049 120.049 121.465 -1.416 18487 3070 1 6 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.714 0.193 18487 3071 1 6 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.608 0.847 18487 3072 1 6 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.520 0.841 18487 3073 1 6 . 1 1 107 107 LYS H H 107 7.691 7.691 7.704 -0.013 18487 3074 1 6 . 1 1 108 108 GLN N N 108 118.375 118.375 118.888 -0.513 18487 3075 1 6 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.223 -0.205 18487 3076 1 6 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.881 -0.898 18487 3077 1 6 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.514 -0.859 18487 3078 1 6 . 1 1 108 108 GLN H H 108 7.888 7.888 7.744 0.144 18487 3079 1 6 . 1 1 109 109 LEU N N 109 118.066 118.066 117.570 0.496 18487 3080 1 6 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.147 0.035 18487 3081 1 6 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.835 -0.368 18487 3082 1 6 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.689 0.121 18487 3083 1 6 . 1 1 109 109 LEU H H 109 8.269 8.269 7.862 0.407 18487 3084 1 6 . 1 1 110 110 ALA N N 110 120.909 120.909 121.451 -0.542 18487 3085 1 6 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.015 0.017 18487 3086 1 6 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.441 -0.201 18487 3087 1 6 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.303 0.364 18487 3088 1 6 . 1 1 110 110 ALA H H 110 8.171 8.171 7.260 0.911 18487 3089 1 6 . 1 1 111 111 TYR N N 111 114.611 114.611 116.067 -1.456 18487 3090 1 6 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.319 0.323 18487 3091 1 6 . 1 1 111 111 TYR CA C 111 57.927 57.927 57.250 0.677 18487 3092 1 6 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.672 -0.200 18487 3093 1 6 . 1 1 111 111 TYR H H 111 7.763 7.763 7.684 0.079 18487 3094 1 6 . 1 1 112 112 GLY N N 112 107.916 107.916 107.257 0.659 18487 3095 1 6 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.114 1.095 18487 3096 1 6 . 1 1 112 112 GLY H H 112 7.941 7.941 7.717 0.224 18487 3097 1 6 . 1 1 113 113 GLU N N 113 119.571 119.571 119.981 -0.410 18487 3098 1 6 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.597 -0.207 18487 3099 1 6 . 1 1 113 113 GLU CA C 113 56.025 56.025 54.261 1.764 18487 3100 1 6 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.169 -0.766 18487 3101 1 6 . 1 1 113 113 GLU H H 113 8.166 8.166 7.953 0.213 18487 3102 1 6 . 1 1 114 114 ASP N N 114 121.457 121.457 119.413 2.044 18487 3103 1 6 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.589 0.036 18487 3104 1 6 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.555 1.520 18487 3105 1 6 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.122 -1.125 18487 3106 1 6 . 1 1 114 114 ASP H H 114 8.560 8.560 8.435 0.125 18487 3107 1 6 . 1 1 115 115 VAL N N 115 120.645 120.645 120.180 0.465 18487 3108 1 6 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.095 -0.016 18487 3109 1 6 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.800 -0.281 18487 3110 1 6 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.919 -1.086 18487 3111 1 6 . 1 1 115 115 VAL H H 115 8.659 8.659 8.491 0.168 18487 3112 1 6 . 1 1 116 116 ILE N N 116 120.775 120.775 116.535 4.240 18487 3113 1 6 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.582 0.081 18487 3114 1 6 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.813 -0.077 18487 3115 1 6 . 1 1 116 116 ILE CB C 116 39.798 39.798 41.057 -1.259 18487 3116 1 6 . 1 1 116 116 ILE H H 116 7.881 7.881 7.576 0.305 18487 3117 1 6 . 1 1 117 117 SER N N 117 121.192 121.192 123.811 -2.619 18487 3118 1 6 . 1 1 117 117 SER HA H 117 4.641 4.641 4.449 0.192 18487 3119 1 6 . 1 1 117 117 SER CA C 117 57.846 57.846 58.171 -0.325 18487 3120 1 6 . 1 1 117 117 SER CB C 117 63.962 63.962 62.167 1.795 18487 3121 1 6 . 1 1 117 117 SER H H 117 8.767 8.767 8.680 0.087 18487 3122 1 6 . 1 1 118 118 LYS N N 118 124.317 124.317 125.981 -1.664 18487 3123 1 6 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.099 0.257 18487 3124 1 6 . 1 1 118 118 LYS CA C 118 56.537 56.537 57.117 -0.580 18487 3125 1 6 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.522 0.528 18487 3126 1 6 . 1 1 118 118 LYS H H 118 8.633 8.633 8.105 0.528 18487 3127 1 7 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.758 -0.078 18487 3128 1 7 . 1 1 11 11 MET N N 11 120.918 120.918 120.932 -0.014 18487 3129 1 7 . 1 1 11 11 MET HA H 11 4.435 4.435 4.782 -0.347 18487 3130 1 7 . 1 1 11 11 MET CA C 11 55.736 55.736 54.290 1.446 18487 3131 1 7 . 1 1 11 11 MET CB C 11 32.501 32.501 34.845 -2.344 18487 3132 1 7 . 1 1 11 11 MET H H 11 8.289 8.289 8.693 -0.404 18487 3133 1 7 . 1 1 12 12 ASN N N 12 120.356 120.356 122.979 -2.623 18487 3134 1 7 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.755 0.003 18487 3135 1 7 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.110 0.378 18487 3136 1 7 . 1 1 12 12 ASN CB C 12 38.576 38.576 37.683 0.893 18487 3137 1 7 . 1 1 12 12 ASN H H 12 8.583 8.583 8.704 -0.121 18487 3138 1 7 . 1 1 13 13 SER N N 13 116.582 116.582 118.772 -2.190 18487 3139 1 7 . 1 1 13 13 SER HA H 13 4.378 4.378 4.491 -0.113 18487 3140 1 7 . 1 1 13 13 SER CA C 13 58.842 58.842 58.538 0.303 18487 3141 1 7 . 1 1 13 13 SER CB C 13 63.403 63.403 63.452 -0.049 18487 3142 1 7 . 1 1 13 13 SER H H 13 8.319 8.319 8.243 0.076 18487 3143 1 7 . 1 1 14 14 GLN N N 14 121.369 121.369 125.360 -3.991 18487 3144 1 7 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.570 -0.252 18487 3145 1 7 . 1 1 14 14 GLN CA C 14 56.099 56.099 54.905 1.194 18487 3146 1 7 . 1 1 14 14 GLN CB C 14 28.944 28.944 30.096 -1.152 18487 3147 1 7 . 1 1 14 14 GLN H H 14 8.365 8.365 8.567 -0.202 18487 3148 1 7 . 1 1 15 15 ARG N N 15 121.565 121.565 120.320 1.245 18487 3149 1 7 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.401 -0.087 18487 3150 1 7 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.865 0.023 18487 3151 1 7 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.296 0.131 18487 3152 1 7 . 1 1 15 15 ARG H H 15 8.084 8.084 8.383 -0.299 18487 3153 1 7 . 1 1 16 16 LEU N N 16 123.810 123.810 119.926 3.884 18487 3154 1 7 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.241 0.102 18487 3155 1 7 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.301 1.339 18487 3156 1 7 . 1 1 16 16 LEU CB C 16 42.062 42.062 42.610 -0.548 18487 3157 1 7 . 1 1 16 16 LEU H H 16 8.254 8.254 7.375 0.879 18487 3158 1 7 . 1 1 17 17 ILE N N 17 122.996 122.996 118.076 4.920 18487 3159 1 7 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.104 0.050 18487 3160 1 7 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.477 -1.263 18487 3161 1 7 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.116 0.668 18487 3162 1 7 . 1 1 17 17 ILE H H 17 8.006 8.006 8.456 -0.450 18487 3163 1 7 . 1 1 18 18 HIS N N 18 126.123 126.123 126.689 -0.566 18487 3164 1 7 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.706 0.139 18487 3165 1 7 . 1 1 18 18 HIS CA C 18 55.205 55.205 55.928 -0.723 18487 3166 1 7 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.584 -0.386 18487 3167 1 7 . 1 1 18 18 HIS H H 18 9.025 9.025 8.772 0.253 18487 3168 1 7 . 1 1 19 19 ILE N N 19 124.783 124.783 123.351 1.432 18487 3169 1 7 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.472 0.518 18487 3170 1 7 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.838 -1.330 18487 3171 1 7 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.663 -0.313 18487 3172 1 7 . 1 1 19 19 ILE H H 19 8.485 8.485 8.492 -0.007 18487 3173 1 7 . 1 1 20 20 LYS N N 20 128.184 128.184 128.757 -0.573 18487 3174 1 7 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.597 0.162 18487 3175 1 7 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.483 -1.354 18487 3176 1 7 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.447 1.194 18487 3177 1 7 . 1 1 20 20 LYS H H 20 9.253 9.253 8.760 0.493 18487 3178 1 7 . 1 1 21 21 THR N N 21 114.649 114.649 121.151 -6.502 18487 3179 1 7 . 1 1 21 21 THR HA H 21 4.930 4.930 4.705 0.225 18487 3180 1 7 . 1 1 21 21 THR CA C 21 60.191 60.191 62.201 -2.010 18487 3181 1 7 . 1 1 21 21 THR CB C 21 69.966 69.966 69.503 0.463 18487 3182 1 7 . 1 1 21 21 THR H H 21 8.232 8.232 8.471 -0.239 18487 3183 1 7 . 1 1 22 22 LEU N N 22 125.973 125.973 128.613 -2.640 18487 3184 1 7 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.679 -0.000 18487 3185 1 7 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.266 0.487 18487 3186 1 7 . 1 1 22 22 LEU CB C 22 45.134 45.134 44.725 0.409 18487 3187 1 7 . 1 1 22 22 LEU H H 22 9.156 9.156 8.664 0.492 18487 3188 1 7 . 1 1 23 23 THR N N 23 112.582 112.582 113.604 -1.022 18487 3189 1 7 . 1 1 23 23 THR HA H 23 4.281 4.281 4.281 0.000 18487 3190 1 7 . 1 1 23 23 THR CA C 23 61.474 61.474 62.350 -0.876 18487 3191 1 7 . 1 1 23 23 THR CB C 23 69.759 69.759 69.305 0.454 18487 3192 1 7 . 1 1 23 23 THR H H 23 7.912 7.912 8.323 -0.411 18487 3193 1 7 . 1 1 24 24 THR N N 24 112.952 112.952 115.556 -2.604 18487 3194 1 7 . 1 1 24 24 THR HA H 24 5.040 5.040 4.664 0.376 18487 3195 1 7 . 1 1 24 24 THR CA C 24 60.000 60.000 58.393 1.607 18487 3196 1 7 . 1 1 24 24 THR CB C 24 69.872 69.872 69.820 0.052 18487 3197 1 7 . 1 1 24 24 THR H H 24 8.793 8.793 7.797 0.996 18487 3198 1 7 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.300 0.145 18487 3199 1 7 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.681 0.641 18487 3200 1 7 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.988 -0.408 18487 3201 1 7 . 1 1 26 26 ASN N N 26 115.534 115.534 118.345 -2.811 18487 3202 1 7 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.748 0.187 18487 3203 1 7 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.371 -1.334 18487 3204 1 7 . 1 1 26 26 ASN CB C 26 39.722 39.722 38.917 0.805 18487 3205 1 7 . 1 1 26 26 ASN H H 26 7.774 7.774 8.326 -0.552 18487 3206 1 7 . 1 1 27 27 GLU N N 27 127.099 127.099 125.669 1.430 18487 3207 1 7 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.126 0.284 18487 3208 1 7 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.944 0.014 18487 3209 1 7 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.563 -0.458 18487 3210 1 7 . 1 1 27 27 GLU H H 27 9.428 9.428 8.939 0.489 18487 3211 1 7 . 1 1 28 28 ASN N N 28 115.176 115.176 118.387 -3.211 18487 3212 1 7 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.624 0.362 18487 3213 1 7 . 1 1 28 28 ASN CA C 28 53.784 53.784 54.971 -1.187 18487 3214 1 7 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.711 -0.166 18487 3215 1 7 . 1 1 28 28 ASN H H 28 8.591 8.591 8.161 0.430 18487 3216 1 7 . 1 1 29 29 ALA N N 29 123.317 123.317 121.027 2.290 18487 3217 1 7 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.530 0.846 18487 3218 1 7 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.921 0.389 18487 3219 1 7 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.084 1.074 18487 3220 1 7 . 1 1 29 29 ALA H H 29 8.210 8.210 7.700 0.510 18487 3221 1 7 . 1 1 30 30 LEU N N 30 124.426 124.426 121.494 2.932 18487 3222 1 7 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.265 0.243 18487 3223 1 7 . 1 1 30 30 LEU CA C 30 53.660 53.660 55.009 -1.349 18487 3224 1 7 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.091 0.460 18487 3225 1 7 . 1 1 30 30 LEU H H 30 8.550 8.550 8.168 0.382 18487 3226 1 7 . 1 1 31 31 LYS N N 31 123.555 123.555 125.811 -2.256 18487 3227 1 7 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.437 0.702 18487 3228 1 7 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.719 -0.636 18487 3229 1 7 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.601 1.570 18487 3230 1 7 . 1 1 31 31 LYS H H 31 8.169 8.169 7.829 0.340 18487 3231 1 7 . 1 1 32 32 PHE N N 32 124.529 124.529 124.847 -0.318 18487 3232 1 7 . 1 1 32 32 PHE HA H 32 4.975 4.975 5.484 -0.509 18487 3233 1 7 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.190 0.284 18487 3234 1 7 . 1 1 32 32 PHE CB C 32 40.077 40.077 41.308 -1.231 18487 3235 1 7 . 1 1 32 32 PHE H H 32 9.634 9.634 8.742 0.892 18487 3236 1 7 . 1 1 33 33 LEU N N 33 122.712 122.712 125.692 -2.980 18487 3237 1 7 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.887 0.177 18487 3238 1 7 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.532 0.855 18487 3239 1 7 . 1 1 33 33 LEU CB C 33 45.826 45.826 44.770 1.056 18487 3240 1 7 . 1 1 33 33 LEU H H 33 9.174 9.174 8.984 0.190 18487 3241 1 7 . 1 1 34 34 SER N N 34 117.120 117.120 123.830 -6.710 18487 3242 1 7 . 1 1 34 34 SER HA H 34 5.116 5.116 4.770 0.346 18487 3243 1 7 . 1 1 34 34 SER CA C 34 56.626 56.626 59.122 -2.496 18487 3244 1 7 . 1 1 34 34 SER CB C 34 64.053 64.053 63.152 0.901 18487 3245 1 7 . 1 1 34 34 SER H H 34 8.979 8.979 8.673 0.306 18487 3246 1 7 . 1 1 35 35 THR N N 35 117.097 117.097 116.802 0.295 18487 3247 1 7 . 1 1 35 35 THR HA H 35 4.460 4.460 4.434 0.026 18487 3248 1 7 . 1 1 35 35 THR CA C 35 62.944 62.944 62.464 0.480 18487 3249 1 7 . 1 1 35 35 THR CB C 35 69.779 69.779 69.568 0.211 18487 3250 1 7 . 1 1 35 35 THR H H 35 8.646 8.646 8.101 0.545 18487 3251 1 7 . 1 1 36 36 ASP N N 36 120.039 120.039 123.372 -3.333 18487 3252 1 7 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.856 -0.001 18487 3253 1 7 . 1 1 36 36 ASP CA C 36 54.741 54.741 53.655 1.086 18487 3254 1 7 . 1 1 36 36 ASP CB C 36 41.519 41.519 42.293 -0.774 18487 3255 1 7 . 1 1 36 36 ASP H H 36 8.711 8.711 7.751 0.960 18487 3256 1 7 . 1 1 37 37 GLY N N 37 107.015 107.015 106.144 0.871 18487 3257 1 7 . 1 1 37 37 GLY CA C 37 45.629 45.629 46.070 -0.441 18487 3258 1 7 . 1 1 37 37 GLY H H 37 8.020 8.020 8.359 -0.339 18487 3259 1 7 . 1 1 38 38 GLU N N 38 120.021 120.021 120.450 -0.429 18487 3260 1 7 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.275 0.003 18487 3261 1 7 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.180 0.963 18487 3262 1 7 . 1 1 38 38 GLU CB C 38 29.317 29.317 28.039 1.278 18487 3263 1 7 . 1 1 38 38 GLU H H 38 8.101 8.101 8.305 -0.204 18487 3264 1 7 . 1 1 39 39 MET N N 39 121.372 121.372 123.447 -2.075 18487 3265 1 7 . 1 1 39 39 MET HA H 39 4.799 4.799 4.467 0.332 18487 3266 1 7 . 1 1 39 39 MET CA C 39 54.229 54.229 54.973 -0.744 18487 3267 1 7 . 1 1 39 39 MET CB C 39 33.392 33.392 33.668 -0.276 18487 3268 1 7 . 1 1 39 39 MET H H 39 8.571 8.571 7.947 0.624 18487 3269 1 7 . 1 1 40 40 LEU N N 40 121.913 121.913 125.274 -3.361 18487 3270 1 7 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.154 0.105 18487 3271 1 7 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.703 0.441 18487 3272 1 7 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.130 0.296 18487 3273 1 7 . 1 1 40 40 LEU H H 40 8.572 8.572 8.380 0.192 18487 3274 1 7 . 1 1 41 41 GLN N N 41 114.647 114.647 114.930 -0.283 18487 3275 1 7 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.489 0.179 18487 3276 1 7 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.694 -0.297 18487 3277 1 7 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.673 3.617 18487 3278 1 7 . 1 1 41 41 GLN H H 41 8.420 8.420 7.583 0.837 18487 3279 1 7 . 1 1 42 42 THR N N 42 111.706 111.706 113.495 -1.789 18487 3280 1 7 . 1 1 42 42 THR HA H 42 4.038 4.038 4.219 -0.181 18487 3281 1 7 . 1 1 42 42 THR CA C 42 63.082 63.082 61.646 1.436 18487 3282 1 7 . 1 1 42 42 THR CB C 42 69.264 69.264 69.948 -0.684 18487 3283 1 7 . 1 1 42 42 THR H H 42 8.205 8.205 8.316 -0.111 18487 3284 1 7 . 1 1 43 43 ARG N N 43 126.367 126.367 127.061 -0.694 18487 3285 1 7 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.177 -0.028 18487 3286 1 7 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.459 -0.026 18487 3287 1 7 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.304 -1.377 18487 3288 1 7 . 1 1 43 43 ARG H H 43 8.885 8.885 8.646 0.239 18487 3289 1 7 . 1 1 44 44 GLY N N 44 116.299 116.299 114.952 1.347 18487 3290 1 7 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.858 0.017 18487 3291 1 7 . 1 1 44 44 GLY H H 44 9.999 9.999 8.615 1.384 18487 3292 1 7 . 1 1 45 45 SER N N 45 117.374 117.374 115.447 1.927 18487 3293 1 7 . 1 1 45 45 SER HA H 45 4.316 4.316 4.756 -0.440 18487 3294 1 7 . 1 1 45 45 SER CA C 45 59.967 59.967 57.621 2.346 18487 3295 1 7 . 1 1 45 45 SER CB C 45 63.866 63.866 64.480 -0.614 18487 3296 1 7 . 1 1 45 45 SER H H 45 8.034 8.034 8.256 -0.222 18487 3297 1 7 . 1 1 46 46 LYS N N 46 124.024 124.024 121.552 2.472 18487 3298 1 7 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.482 -0.225 18487 3299 1 7 . 1 1 46 46 LYS CA C 46 56.302 56.302 54.833 1.469 18487 3300 1 7 . 1 1 46 46 LYS CB C 46 32.677 32.677 32.863 -0.186 18487 3301 1 7 . 1 1 46 46 LYS H H 46 8.560 8.560 8.415 0.145 18487 3302 1 7 . 1 1 47 47 SER N N 47 119.851 119.851 117.989 1.862 18487 3303 1 7 . 1 1 47 47 SER HA H 47 4.824 4.824 4.515 0.309 18487 3304 1 7 . 1 1 47 47 SER CA C 47 57.920 57.920 57.855 0.065 18487 3305 1 7 . 1 1 47 47 SER CB C 47 63.770 63.770 63.275 0.495 18487 3306 1 7 . 1 1 47 47 SER H H 47 8.663 8.663 8.493 0.170 18487 3307 1 7 . 1 1 48 48 ILE N N 48 124.054 124.054 126.874 -2.820 18487 3308 1 7 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.020 0.337 18487 3309 1 7 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.579 -1.467 18487 3310 1 7 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.423 3.674 18487 3311 1 7 . 1 1 48 48 ILE H H 48 8.619 8.619 8.153 0.466 18487 3312 1 7 . 1 1 49 49 VAL N N 49 128.260 128.260 129.097 -0.837 18487 3313 1 7 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.578 0.154 18487 3314 1 7 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.849 0.163 18487 3315 1 7 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.977 0.633 18487 3316 1 7 . 1 1 49 49 VAL H H 49 8.498 8.498 8.285 0.213 18487 3317 1 7 . 1 1 50 50 ILE N N 50 127.715 127.715 130.402 -2.687 18487 3318 1 7 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.364 0.139 18487 3319 1 7 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.487 1.003 18487 3320 1 7 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.232 2.231 18487 3321 1 7 . 1 1 50 50 ILE H H 50 9.236 9.236 9.084 0.152 18487 3322 1 7 . 1 1 51 51 LYS N N 51 127.422 127.422 127.556 -0.134 18487 3323 1 7 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.846 -0.186 18487 3324 1 7 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.710 -0.160 18487 3325 1 7 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.855 0.088 18487 3326 1 7 . 1 1 51 51 LYS H H 51 9.673 9.673 8.033 1.640 18487 3327 1 7 . 1 1 52 52 ASN N N 52 117.981 117.981 120.078 -2.097 18487 3328 1 7 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.415 -0.667 18487 3329 1 7 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.750 0.417 18487 3330 1 7 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.470 -1.087 18487 3331 1 7 . 1 1 52 52 ASN H H 52 8.119 8.119 9.014 -0.895 18487 3332 1 7 . 1 1 53 53 THR N N 53 105.425 105.425 112.208 -6.783 18487 3333 1 7 . 1 1 53 53 THR HA H 53 4.218 4.218 4.197 0.021 18487 3334 1 7 . 1 1 53 53 THR CA C 53 60.619 60.619 63.345 -2.726 18487 3335 1 7 . 1 1 53 53 THR CB C 53 69.221 69.221 69.294 -0.074 18487 3336 1 7 . 1 1 53 53 THR H H 53 6.908 6.908 8.049 -1.141 18487 3337 1 7 . 1 1 54 54 ASP N N 54 125.547 125.547 124.609 0.938 18487 3338 1 7 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.778 0.188 18487 3339 1 7 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.289 -0.776 18487 3340 1 7 . 1 1 54 54 ASP CB C 54 39.956 39.956 40.088 -0.132 18487 3341 1 7 . 1 1 54 54 ASP H H 54 7.811 7.811 7.615 0.196 18487 3342 1 7 . 1 1 55 55 GLU N N 55 123.946 123.946 124.653 -0.707 18487 3343 1 7 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.810 0.013 18487 3344 1 7 . 1 1 55 55 GLU CA C 55 60.124 60.124 60.468 -0.344 18487 3345 1 7 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.857 0.075 18487 3346 1 7 . 1 1 55 55 GLU H H 55 7.919 7.919 7.713 0.206 18487 3347 1 7 . 1 1 56 56 ASN N N 56 115.295 115.295 117.578 -2.283 18487 3348 1 7 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.498 0.056 18487 3349 1 7 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.901 0.207 18487 3350 1 7 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.965 0.302 18487 3351 1 7 . 1 1 56 56 ASN H H 56 8.728 8.728 8.683 0.045 18487 3352 1 7 . 1 1 57 57 LEU N N 57 120.223 120.223 117.710 2.513 18487 3353 1 7 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.377 -0.142 18487 3354 1 7 . 1 1 57 57 LEU CA C 57 57.589 57.589 56.857 0.732 18487 3355 1 7 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.173 0.739 18487 3356 1 7 . 1 1 57 57 LEU H H 57 7.621 7.621 7.447 0.174 18487 3357 1 7 . 1 1 58 58 ILE N N 58 120.489 120.489 117.221 3.268 18487 3358 1 7 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.900 -0.364 18487 3359 1 7 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.230 2.109 18487 3360 1 7 . 1 1 58 58 ILE CB C 58 38.393 38.393 38.356 0.037 18487 3361 1 7 . 1 1 58 58 ILE H H 58 8.461 8.461 7.758 0.703 18487 3362 1 7 . 1 1 59 59 ASN N N 59 114.873 114.873 117.935 -3.062 18487 3363 1 7 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.480 -0.002 18487 3364 1 7 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.632 -0.676 18487 3365 1 7 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.462 -0.427 18487 3366 1 7 . 1 1 59 59 ASN H H 59 7.958 7.958 8.291 -0.333 18487 3367 1 7 . 1 1 60 60 HIS N N 60 115.059 115.059 115.689 -0.630 18487 3368 1 7 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.447 0.321 18487 3369 1 7 . 1 1 60 60 HIS CA C 60 56.337 56.337 58.612 -2.275 18487 3370 1 7 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.337 -0.521 18487 3371 1 7 . 1 1 60 60 HIS H H 60 7.633 7.633 7.509 0.124 18487 3372 1 7 . 1 1 61 61 SER N N 61 115.447 115.447 113.545 1.902 18487 3373 1 7 . 1 1 61 61 SER HA H 61 5.135 5.135 4.869 0.266 18487 3374 1 7 . 1 1 61 61 SER CA C 61 56.072 56.072 56.500 -0.428 18487 3375 1 7 . 1 1 61 61 SER CB C 61 63.806 63.806 64.497 -0.691 18487 3376 1 7 . 1 1 61 61 SER H H 61 7.849 7.849 7.645 0.204 18487 3377 1 7 . 1 1 62 62 LYS N N 62 132.090 132.090 128.118 3.972 18487 3378 1 7 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.224 -0.180 18487 3379 1 7 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.548 0.997 18487 3380 1 7 . 1 1 62 62 LYS CB C 62 31.539 31.539 31.960 -0.421 18487 3381 1 7 . 1 1 62 62 LYS H H 62 9.021 9.021 8.837 0.184 18487 3382 1 7 . 1 1 63 63 LEU N N 63 118.793 118.793 119.037 -0.244 18487 3383 1 7 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.968 0.158 18487 3384 1 7 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.838 -0.188 18487 3385 1 7 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.358 0.422 18487 3386 1 7 . 1 1 63 63 LEU H H 63 8.567 8.567 8.152 0.415 18487 3387 1 7 . 1 1 64 64 ALA N N 64 118.752 118.752 119.909 -1.157 18487 3388 1 7 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.611 0.009 18487 3389 1 7 . 1 1 64 64 ALA CA C 64 55.057 55.057 54.961 0.096 18487 3390 1 7 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.243 0.342 18487 3391 1 7 . 1 1 64 64 ALA H H 64 7.645 7.645 7.337 0.308 18487 3392 1 7 . 1 1 65 65 GLN N N 65 115.176 115.176 117.855 -2.679 18487 3393 1 7 . 1 1 65 65 GLN HA H 65 3.946 3.946 4.015 -0.069 18487 3394 1 7 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.123 0.134 18487 3395 1 7 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.521 0.079 18487 3396 1 7 . 1 1 65 65 GLN H H 65 8.539 8.539 7.797 0.742 18487 3397 1 7 . 1 1 66 66 GLN N N 66 115.801 115.801 118.316 -2.515 18487 3398 1 7 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.112 -0.046 18487 3399 1 7 . 1 1 66 66 GLN CA C 66 58.560 58.560 57.922 0.638 18487 3400 1 7 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.144 1.353 18487 3401 1 7 . 1 1 66 66 GLN H H 66 8.125 8.125 7.658 0.467 18487 3402 1 7 . 1 1 67 67 ILE N N 67 119.874 119.874 120.910 -1.036 18487 3403 1 7 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.588 -0.251 18487 3404 1 7 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.383 0.659 18487 3405 1 7 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.699 -0.781 18487 3406 1 7 . 1 1 67 67 ILE H H 67 8.281 8.281 7.865 0.416 18487 3407 1 7 . 1 1 68 68 PHE N N 68 114.873 114.873 117.381 -2.508 18487 3408 1 7 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.583 -0.088 18487 3409 1 7 . 1 1 68 68 PHE CA C 68 60.691 60.691 59.976 0.715 18487 3410 1 7 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.155 -0.507 18487 3411 1 7 . 1 1 68 68 PHE H H 68 8.255 8.255 8.000 0.255 18487 3412 1 7 . 1 1 69 69 LEU N N 69 117.763 117.763 120.579 -2.816 18487 3413 1 7 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.072 0.223 18487 3414 1 7 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.721 -0.386 18487 3415 1 7 . 1 1 69 69 LEU CB C 69 43.128 43.128 41.983 1.145 18487 3416 1 7 . 1 1 69 69 LEU H H 69 7.747 7.747 7.711 0.036 18487 3417 1 7 . 1 1 70 70 GLN N N 70 115.040 115.040 117.366 -2.326 18487 3418 1 7 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.158 0.154 18487 3419 1 7 . 1 1 70 70 GLN CA C 70 57.230 57.230 58.036 -0.806 18487 3420 1 7 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.018 0.004 18487 3421 1 7 . 1 1 70 70 GLN H H 70 8.308 8.308 8.162 0.146 18487 3422 1 7 . 1 1 71 71 CYS N N 71 115.881 115.881 118.424 -2.543 18487 3423 1 7 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.913 0.045 18487 3424 1 7 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.992 -0.591 18487 3425 1 7 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.744 -1.010 18487 3426 1 7 . 1 1 71 71 CYS H H 71 8.242 8.242 7.953 0.289 18487 3427 1 7 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.676 -0.113 18487 3428 1 7 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.781 0.228 18487 3429 1 7 . 1 1 72 72 PRO CB C 72 31.411 31.411 31.870 -0.459 18487 3430 1 7 . 1 1 73 73 GLY N N 73 106.975 106.975 106.024 0.951 18487 3431 1 7 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.861 0.417 18487 3432 1 7 . 1 1 73 73 GLY H H 73 8.657 8.657 7.800 0.857 18487 3433 1 7 . 1 1 74 74 VAL N N 74 119.448 119.448 121.516 -2.068 18487 3434 1 7 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.826 0.154 18487 3435 1 7 . 1 1 74 74 VAL CA C 74 63.801 63.801 64.012 -0.211 18487 3436 1 7 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.579 -0.079 18487 3437 1 7 . 1 1 74 74 VAL H H 74 7.747 7.747 7.330 0.417 18487 3438 1 7 . 1 1 75 75 GLU N N 75 129.063 129.063 126.629 2.434 18487 3439 1 7 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.250 0.217 18487 3440 1 7 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.540 -0.510 18487 3441 1 7 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.036 0.576 18487 3442 1 7 . 1 1 75 75 GLU H H 75 8.994 8.994 8.502 0.492 18487 3443 1 7 . 1 1 76 76 SER N N 76 110.068 110.068 110.389 -0.321 18487 3444 1 7 . 1 1 76 76 SER HA H 76 5.283 5.283 5.463 -0.180 18487 3445 1 7 . 1 1 76 76 SER CA C 76 57.395 57.395 57.595 -0.200 18487 3446 1 7 . 1 1 76 76 SER CB C 76 65.281 65.281 66.599 -1.317 18487 3447 1 7 . 1 1 76 76 SER H H 76 8.306 8.306 8.016 0.290 18487 3448 1 7 . 1 1 77 77 LEU N N 77 117.334 117.334 120.587 -3.253 18487 3449 1 7 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.030 0.371 18487 3450 1 7 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.061 -0.480 18487 3451 1 7 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.890 0.283 18487 3452 1 7 . 1 1 77 77 LEU H H 77 9.250 9.250 8.979 0.271 18487 3453 1 7 . 1 1 78 78 MET N N 78 121.119 121.119 124.501 -3.382 18487 3454 1 7 . 1 1 78 78 MET HA H 78 5.367 5.367 4.997 0.370 18487 3455 1 7 . 1 1 78 78 MET CA C 78 53.966 53.966 54.236 -0.270 18487 3456 1 7 . 1 1 78 78 MET CB C 78 36.374 36.374 34.659 1.715 18487 3457 1 7 . 1 1 78 78 MET H H 78 9.333 9.333 8.997 0.336 18487 3458 1 7 . 1 1 79 79 ILE N N 79 127.512 127.512 128.011 -0.499 18487 3459 1 7 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.263 -0.271 18487 3460 1 7 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.611 2.015 18487 3461 1 7 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.840 2.547 18487 3462 1 7 . 1 1 79 79 ILE H H 79 9.396 9.396 8.502 0.894 18487 3463 1 7 . 1 1 80 80 GLY N N 80 117.437 117.437 113.032 4.405 18487 3464 1 7 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.882 0.728 18487 3465 1 7 . 1 1 80 80 GLY H H 80 7.916 7.916 7.813 0.103 18487 3466 1 7 . 1 1 81 81 ASP N N 81 118.860 118.860 119.042 -0.182 18487 3467 1 7 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.329 0.344 18487 3468 1 7 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.168 -3.134 18487 3469 1 7 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.961 -1.287 18487 3470 1 7 . 1 1 81 81 ASP H H 81 7.983 7.983 8.228 -0.245 18487 3471 1 7 . 1 1 82 82 ASP N N 82 118.682 118.682 115.626 3.056 18487 3472 1 7 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.715 0.104 18487 3473 1 7 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.909 -3.771 18487 3474 1 7 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.741 -0.747 18487 3475 1 7 . 1 1 82 82 ASP H H 82 9.164 9.164 8.685 0.479 18487 3476 1 7 . 1 1 83 83 PHE N N 83 110.898 110.898 114.614 -3.716 18487 3477 1 7 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.717 0.133 18487 3478 1 7 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.842 0.124 18487 3479 1 7 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.199 0.547 18487 3480 1 7 . 1 1 83 83 PHE H H 83 6.887 6.887 7.207 -0.320 18487 3481 1 7 . 1 1 84 84 LEU N N 84 121.119 121.119 122.795 -1.676 18487 3482 1 7 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.193 0.040 18487 3483 1 7 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.550 -0.584 18487 3484 1 7 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.299 2.109 18487 3485 1 7 . 1 1 84 84 LEU H H 84 9.118 9.118 9.195 -0.077 18487 3486 1 7 . 1 1 85 85 THR N N 85 125.430 125.430 126.247 -0.817 18487 3487 1 7 . 1 1 85 85 THR HA H 85 5.639 5.639 5.047 0.592 18487 3488 1 7 . 1 1 85 85 THR CA C 85 61.743 61.743 62.065 -0.322 18487 3489 1 7 . 1 1 85 85 THR CB C 85 69.835 69.835 69.424 0.411 18487 3490 1 7 . 1 1 85 85 THR H H 85 9.780 9.780 8.994 0.786 18487 3491 1 7 . 1 1 86 86 ILE N N 86 126.778 126.778 128.375 -1.597 18487 3492 1 7 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.359 0.352 18487 3493 1 7 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.790 -2.085 18487 3494 1 7 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.978 1.366 18487 3495 1 7 . 1 1 86 86 ILE H H 86 9.151 9.151 8.536 0.615 18487 3496 1 7 . 1 1 87 87 ASN N N 87 124.785 124.785 125.728 -0.943 18487 3497 1 7 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.911 0.115 18487 3498 1 7 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.207 -0.175 18487 3499 1 7 . 1 1 87 87 ASN CB C 87 39.679 39.679 42.191 -2.512 18487 3500 1 7 . 1 1 87 87 ASN H H 87 8.680 8.680 8.876 -0.196 18487 3501 1 7 . 1 1 88 88 LYS N N 88 122.617 122.617 122.802 -0.185 18487 3502 1 7 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.947 0.292 18487 3503 1 7 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.244 0.270 18487 3504 1 7 . 1 1 88 88 LYS CB C 88 36.255 36.255 35.119 1.136 18487 3505 1 7 . 1 1 88 88 LYS H H 88 9.361 9.361 8.350 1.011 18487 3506 1 7 . 1 1 89 89 ASP N N 89 121.211 121.211 120.158 1.053 18487 3507 1 7 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.499 -0.038 18487 3508 1 7 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.855 -0.960 18487 3509 1 7 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.669 0.075 18487 3510 1 7 . 1 1 89 89 ASP H H 89 8.454 8.454 8.233 0.221 18487 3511 1 7 . 1 1 90 90 ARG N N 90 124.551 124.551 126.021 -1.470 18487 3512 1 7 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.008 0.066 18487 3513 1 7 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.481 -0.372 18487 3514 1 7 . 1 1 90 90 ARG CB C 90 29.895 29.895 30.010 -0.115 18487 3515 1 7 . 1 1 90 90 ARG H H 90 8.475 8.475 8.710 -0.235 18487 3516 1 7 . 1 1 91 91 MET N N 91 115.821 115.821 118.252 -2.431 18487 3517 1 7 . 1 1 91 91 MET HA H 91 4.424 4.424 4.121 0.303 18487 3518 1 7 . 1 1 91 91 MET CA C 91 55.206 55.206 56.924 -1.718 18487 3519 1 7 . 1 1 91 91 MET CB C 91 31.307 31.307 33.169 -1.862 18487 3520 1 7 . 1 1 91 91 MET H H 91 8.725 8.725 7.712 1.013 18487 3521 1 7 . 1 1 92 92 VAL N N 92 119.922 119.922 119.348 0.574 18487 3522 1 7 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.876 0.230 18487 3523 1 7 . 1 1 92 92 VAL CA C 92 61.058 61.058 62.737 -1.679 18487 3524 1 7 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.021 1.123 18487 3525 1 7 . 1 1 92 92 VAL H H 92 7.348 7.348 7.334 0.014 18487 3526 1 7 . 1 1 93 93 HIS N N 93 125.619 125.619 125.296 0.323 18487 3527 1 7 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.530 0.066 18487 3528 1 7 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.671 -0.277 18487 3529 1 7 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.556 -0.898 18487 3530 1 7 . 1 1 93 93 HIS H H 93 8.851 8.851 8.247 0.604 18487 3531 1 7 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.620 0.380 18487 3532 1 7 . 1 1 94 94 TRP CA C 94 60.000 60.000 59.477 0.523 18487 3533 1 7 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.570 0.430 18487 3534 1 7 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.533 0.164 18487 3535 1 7 . 1 1 95 95 ASN CA C 95 56.027 56.027 56.087 -0.061 18487 3536 1 7 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.026 -0.875 18487 3537 1 7 . 1 1 96 96 SER N N 96 113.047 113.047 113.604 -0.557 18487 3538 1 7 . 1 1 96 96 SER HA H 96 4.628 4.628 4.479 0.149 18487 3539 1 7 . 1 1 96 96 SER CA C 96 60.183 60.183 60.606 -0.423 18487 3540 1 7 . 1 1 96 96 SER CB C 96 63.901 63.901 63.948 -0.047 18487 3541 1 7 . 1 1 96 96 SER H H 96 8.064 8.064 7.995 0.069 18487 3542 1 7 . 1 1 97 97 ILE N N 97 116.621 116.621 122.428 -5.807 18487 3543 1 7 . 1 1 97 97 ILE HA H 97 4.642 4.642 3.937 0.705 18487 3544 1 7 . 1 1 97 97 ILE CA C 97 62.778 62.778 64.037 -1.259 18487 3545 1 7 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.423 4.004 18487 3546 1 7 . 1 1 97 97 ILE H H 97 7.705 7.705 7.376 0.329 18487 3547 1 7 . 1 1 98 98 LYS N N 98 120.198 120.198 120.503 -0.305 18487 3548 1 7 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.168 0.089 18487 3549 1 7 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.386 0.327 18487 3550 1 7 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.323 0.650 18487 3551 1 7 . 1 1 98 98 LYS H H 98 9.132 9.132 8.521 0.611 18487 3552 1 7 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.297 -0.013 18487 3553 1 7 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.029 0.305 18487 3554 1 7 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.051 -0.650 18487 3555 1 7 . 1 1 100 100 GLU N N 100 117.097 117.097 119.118 -2.021 18487 3556 1 7 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.131 0.021 18487 3557 1 7 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.022 -0.203 18487 3558 1 7 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.806 0.610 18487 3559 1 7 . 1 1 100 100 GLU H H 100 7.447 7.447 7.837 -0.390 18487 3560 1 7 . 1 1 101 101 ILE N N 101 118.326 118.326 120.669 -2.343 18487 3561 1 7 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.577 -0.213 18487 3562 1 7 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.392 -2.031 18487 3563 1 7 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.815 -1.966 18487 3564 1 7 . 1 1 101 101 ILE H H 101 7.896 7.896 7.885 0.011 18487 3565 1 7 . 1 1 102 102 ILE N N 102 118.368 118.368 120.069 -1.701 18487 3566 1 7 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.319 0.089 18487 3567 1 7 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.611 0.635 18487 3568 1 7 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.461 -0.221 18487 3569 1 7 . 1 1 102 102 ILE H H 102 8.243 8.243 8.169 0.074 18487 3570 1 7 . 1 1 103 103 ASP N N 103 122.381 122.381 120.024 2.357 18487 3571 1 7 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.284 0.094 18487 3572 1 7 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.794 0.188 18487 3573 1 7 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.998 0.536 18487 3574 1 7 . 1 1 103 103 ASP H H 103 7.900 7.900 7.734 0.166 18487 3575 1 7 . 1 1 104 104 LEU N N 104 119.007 119.007 120.355 -1.348 18487 3576 1 7 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.955 0.043 18487 3577 1 7 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.711 0.028 18487 3578 1 7 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.856 0.285 18487 3579 1 7 . 1 1 104 104 LEU H H 104 8.261 8.261 7.928 0.333 18487 3580 1 7 . 1 1 105 105 LEU N N 105 120.443 120.443 119.637 0.806 18487 3581 1 7 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.153 -0.166 18487 3582 1 7 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.029 -0.528 18487 3583 1 7 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.118 0.969 18487 3584 1 7 . 1 1 105 105 LEU H H 105 9.022 9.022 8.424 0.598 18487 3585 1 7 . 1 1 106 106 THR N N 106 114.821 114.821 114.840 -0.019 18487 3586 1 7 . 1 1 106 106 THR HA H 106 3.698 3.698 4.065 -0.367 18487 3587 1 7 . 1 1 106 106 THR CA C 106 67.610 67.610 66.478 1.132 18487 3588 1 7 . 1 1 106 106 THR CB C 106 68.325 68.325 68.483 -0.158 18487 3589 1 7 . 1 1 106 106 THR H H 106 8.273 8.273 7.729 0.544 18487 3590 1 7 . 1 1 107 107 LYS N N 107 120.049 120.049 120.559 -0.510 18487 3591 1 7 . 1 1 107 107 LYS HA H 107 3.907 3.907 4.231 -0.324 18487 3592 1 7 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.807 0.648 18487 3593 1 7 . 1 1 107 107 LYS CB C 107 32.362 32.362 32.227 0.135 18487 3594 1 7 . 1 1 107 107 LYS H H 107 7.691 7.691 7.965 -0.274 18487 3595 1 7 . 1 1 108 108 GLN N N 108 118.375 118.375 119.825 -1.450 18487 3596 1 7 . 1 1 108 108 GLN HA H 108 4.018 4.018 3.952 0.066 18487 3597 1 7 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.228 -1.245 18487 3598 1 7 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.617 -0.962 18487 3599 1 7 . 1 1 108 108 GLN H H 108 7.888 7.888 8.029 -0.141 18487 3600 1 7 . 1 1 109 109 LEU N N 109 118.066 118.066 118.047 0.019 18487 3601 1 7 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.224 -0.042 18487 3602 1 7 . 1 1 109 109 LEU CA C 109 56.467 56.467 55.891 0.576 18487 3603 1 7 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.613 0.197 18487 3604 1 7 . 1 1 109 109 LEU H H 109 8.269 8.269 7.995 0.274 18487 3605 1 7 . 1 1 110 110 ALA N N 110 120.909 120.909 120.351 0.558 18487 3606 1 7 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.140 -0.108 18487 3607 1 7 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.997 0.243 18487 3608 1 7 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.392 0.275 18487 3609 1 7 . 1 1 110 110 ALA H H 110 8.171 8.171 7.350 0.821 18487 3610 1 7 . 1 1 111 111 TYR N N 111 114.611 114.611 118.139 -3.528 18487 3611 1 7 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.410 0.232 18487 3612 1 7 . 1 1 111 111 TYR CA C 111 57.927 57.927 59.381 -1.454 18487 3613 1 7 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.848 -0.376 18487 3614 1 7 . 1 1 111 111 TYR H H 111 7.763 7.763 7.992 -0.229 18487 3615 1 7 . 1 1 112 112 GLY N N 112 107.916 107.916 105.168 2.748 18487 3616 1 7 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.761 0.447 18487 3617 1 7 . 1 1 112 112 GLY H H 112 7.941 7.941 8.374 -0.433 18487 3618 1 7 . 1 1 113 113 GLU N N 113 119.571 119.571 121.162 -1.591 18487 3619 1 7 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.170 0.220 18487 3620 1 7 . 1 1 113 113 GLU CA C 113 56.025 56.025 58.115 -2.090 18487 3621 1 7 . 1 1 113 113 GLU CB C 113 30.403 30.403 30.109 0.294 18487 3622 1 7 . 1 1 113 113 GLU H H 113 8.166 8.166 8.722 -0.556 18487 3623 1 7 . 1 1 114 114 ASP N N 114 121.457 121.457 117.674 3.783 18487 3624 1 7 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.904 -0.279 18487 3625 1 7 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.478 1.597 18487 3626 1 7 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.612 -1.615 18487 3627 1 7 . 1 1 114 114 ASP H H 114 8.560 8.560 8.126 0.434 18487 3628 1 7 . 1 1 115 115 VAL N N 115 120.645 120.645 122.159 -1.514 18487 3629 1 7 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.988 0.091 18487 3630 1 7 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.424 0.094 18487 3631 1 7 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.726 -0.893 18487 3632 1 7 . 1 1 115 115 VAL H H 115 8.659 8.659 8.511 0.148 18487 3633 1 7 . 1 1 116 116 ILE N N 116 120.775 120.775 115.603 5.172 18487 3634 1 7 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.650 0.013 18487 3635 1 7 . 1 1 116 116 ILE CA C 116 59.736 59.736 58.703 1.033 18487 3636 1 7 . 1 1 116 116 ILE CB C 116 39.798 39.798 41.979 -2.181 18487 3637 1 7 . 1 1 116 116 ILE H H 116 7.881 7.881 7.588 0.293 18487 3638 1 7 . 1 1 117 117 SER N N 117 121.192 121.192 120.143 1.049 18487 3639 1 7 . 1 1 117 117 SER HA H 117 4.641 4.641 4.503 0.138 18487 3640 1 7 . 1 1 117 117 SER CA C 117 57.846 57.846 58.659 -0.813 18487 3641 1 7 . 1 1 117 117 SER CB C 117 63.962 63.962 63.544 0.418 18487 3642 1 7 . 1 1 117 117 SER H H 117 8.767 8.767 8.738 0.029 18487 3643 1 7 . 1 1 118 118 LYS N N 118 124.317 124.317 126.171 -1.854 18487 3644 1 7 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.278 0.078 18487 3645 1 7 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.500 1.037 18487 3646 1 7 . 1 1 118 118 LYS CB C 118 33.050 33.050 30.779 2.271 18487 3647 1 7 . 1 1 118 118 LYS H H 118 8.633 8.633 8.291 0.342 18487 3648 1 8 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.674 0.006 18487 3649 1 8 . 1 1 11 11 MET N N 11 120.918 120.918 125.384 -4.466 18487 3650 1 8 . 1 1 11 11 MET HA H 11 4.435 4.435 4.482 -0.047 18487 3651 1 8 . 1 1 11 11 MET CA C 11 55.736 55.736 55.243 0.493 18487 3652 1 8 . 1 1 11 11 MET CB C 11 32.501 32.501 32.359 0.142 18487 3653 1 8 . 1 1 11 11 MET H H 11 8.289 8.289 8.322 -0.034 18487 3654 1 8 . 1 1 12 12 ASN N N 12 120.356 120.356 124.672 -4.316 18487 3655 1 8 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.842 -0.084 18487 3656 1 8 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.897 0.591 18487 3657 1 8 . 1 1 12 12 ASN CB C 12 38.576 38.576 37.946 0.630 18487 3658 1 8 . 1 1 12 12 ASN H H 12 8.583 8.583 8.812 -0.229 18487 3659 1 8 . 1 1 13 13 SER N N 13 116.582 116.582 119.071 -2.489 18487 3660 1 8 . 1 1 13 13 SER HA H 13 4.378 4.378 4.403 -0.025 18487 3661 1 8 . 1 1 13 13 SER CA C 13 58.842 58.842 58.617 0.225 18487 3662 1 8 . 1 1 13 13 SER CB C 13 63.403 63.403 62.823 0.580 18487 3663 1 8 . 1 1 13 13 SER H H 13 8.319 8.319 8.392 -0.073 18487 3664 1 8 . 1 1 14 14 GLN N N 14 121.369 121.369 125.365 -3.996 18487 3665 1 8 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.465 -0.147 18487 3666 1 8 . 1 1 14 14 GLN CA C 14 56.099 56.099 54.395 1.704 18487 3667 1 8 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.880 0.064 18487 3668 1 8 . 1 1 14 14 GLN H H 14 8.365 8.365 8.032 0.333 18487 3669 1 8 . 1 1 15 15 ARG N N 15 121.565 121.565 124.559 -2.994 18487 3670 1 8 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.308 0.006 18487 3671 1 8 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.307 -0.419 18487 3672 1 8 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.129 0.298 18487 3673 1 8 . 1 1 15 15 ARG H H 15 8.084 8.084 8.532 -0.448 18487 3674 1 8 . 1 1 16 16 LEU N N 16 123.810 123.810 123.201 0.609 18487 3675 1 8 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.684 -0.341 18487 3676 1 8 . 1 1 16 16 LEU CA C 16 54.640 54.640 52.904 1.736 18487 3677 1 8 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.960 -2.898 18487 3678 1 8 . 1 1 16 16 LEU H H 16 8.254 8.254 8.288 -0.034 18487 3679 1 8 . 1 1 17 17 ILE N N 17 122.996 122.996 121.802 1.194 18487 3680 1 8 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.795 0.359 18487 3681 1 8 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.366 -1.152 18487 3682 1 8 . 1 1 17 17 ILE CB C 17 38.784 38.784 37.503 1.281 18487 3683 1 8 . 1 1 17 17 ILE H H 17 8.006 8.006 8.312 -0.306 18487 3684 1 8 . 1 1 18 18 HIS N N 18 126.123 126.123 126.529 -0.406 18487 3685 1 8 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.474 0.371 18487 3686 1 8 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.310 -1.105 18487 3687 1 8 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.129 0.068 18487 3688 1 8 . 1 1 18 18 HIS H H 18 9.025 9.025 8.000 1.025 18487 3689 1 8 . 1 1 19 19 ILE N N 19 124.783 124.783 125.193 -0.410 18487 3690 1 8 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.602 0.388 18487 3691 1 8 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.921 -1.413 18487 3692 1 8 . 1 1 19 19 ILE CB C 19 38.350 38.350 39.094 -0.744 18487 3693 1 8 . 1 1 19 19 ILE H H 19 8.485 8.485 8.322 0.163 18487 3694 1 8 . 1 1 20 20 LYS N N 20 128.184 128.184 129.112 -0.928 18487 3695 1 8 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.617 0.142 18487 3696 1 8 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.547 -0.417 18487 3697 1 8 . 1 1 20 20 LYS CB C 20 35.641 35.641 33.226 2.415 18487 3698 1 8 . 1 1 20 20 LYS H H 20 9.253 9.253 9.098 0.155 18487 3699 1 8 . 1 1 21 21 THR N N 21 114.649 114.649 123.050 -8.401 18487 3700 1 8 . 1 1 21 21 THR HA H 21 4.930 4.930 4.462 0.468 18487 3701 1 8 . 1 1 21 21 THR CA C 21 60.191 60.191 62.403 -2.212 18487 3702 1 8 . 1 1 21 21 THR CB C 21 69.966 69.966 69.023 0.943 18487 3703 1 8 . 1 1 21 21 THR H H 21 8.232 8.232 8.544 -0.312 18487 3704 1 8 . 1 1 22 22 LEU N N 22 125.973 125.973 129.740 -3.767 18487 3705 1 8 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.657 0.022 18487 3706 1 8 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.311 0.442 18487 3707 1 8 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.307 -0.173 18487 3708 1 8 . 1 1 22 22 LEU H H 22 9.156 9.156 8.776 0.380 18487 3709 1 8 . 1 1 23 23 THR N N 23 112.582 112.582 113.980 -1.398 18487 3710 1 8 . 1 1 23 23 THR HA H 23 4.281 4.281 4.333 -0.052 18487 3711 1 8 . 1 1 23 23 THR CA C 23 61.474 61.474 61.869 -0.395 18487 3712 1 8 . 1 1 23 23 THR CB C 23 69.759 69.759 69.681 0.078 18487 3713 1 8 . 1 1 23 23 THR H H 23 7.912 7.912 8.363 -0.451 18487 3714 1 8 . 1 1 24 24 THR N N 24 112.952 112.952 113.952 -1.000 18487 3715 1 8 . 1 1 24 24 THR HA H 24 5.040 5.040 4.759 0.281 18487 3716 1 8 . 1 1 24 24 THR CA C 24 60.000 60.000 58.646 1.354 18487 3717 1 8 . 1 1 24 24 THR CB C 24 69.872 69.872 69.932 -0.060 18487 3718 1 8 . 1 1 24 24 THR H H 24 8.793 8.793 8.153 0.640 18487 3719 1 8 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.208 0.237 18487 3720 1 8 . 1 1 25 25 PRO CA C 25 64.322 64.322 64.326 -0.004 18487 3721 1 8 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.906 -0.326 18487 3722 1 8 . 1 1 26 26 ASN N N 26 115.534 115.534 118.683 -3.149 18487 3723 1 8 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.842 0.093 18487 3724 1 8 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.042 -1.005 18487 3725 1 8 . 1 1 26 26 ASN CB C 26 39.722 39.722 39.134 0.588 18487 3726 1 8 . 1 1 26 26 ASN H H 26 7.774 7.774 8.432 -0.658 18487 3727 1 8 . 1 1 27 27 GLU N N 27 127.099 127.099 124.174 2.925 18487 3728 1 8 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.166 0.244 18487 3729 1 8 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.920 0.038 18487 3730 1 8 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.457 -0.352 18487 3731 1 8 . 1 1 27 27 GLU H H 27 9.428 9.428 9.014 0.414 18487 3732 1 8 . 1 1 28 28 ASN N N 28 115.176 115.176 117.292 -2.116 18487 3733 1 8 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.657 0.329 18487 3734 1 8 . 1 1 28 28 ASN CA C 28 53.784 53.784 55.869 -2.085 18487 3735 1 8 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.430 0.115 18487 3736 1 8 . 1 1 28 28 ASN H H 28 8.591 8.591 8.624 -0.033 18487 3737 1 8 . 1 1 29 29 ALA N N 29 123.317 123.317 120.396 2.921 18487 3738 1 8 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.666 0.710 18487 3739 1 8 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.346 0.964 18487 3740 1 8 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.696 0.462 18487 3741 1 8 . 1 1 29 29 ALA H H 29 8.210 8.210 7.452 0.758 18487 3742 1 8 . 1 1 30 30 LEU N N 30 124.426 124.426 120.374 4.052 18487 3743 1 8 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.201 0.307 18487 3744 1 8 . 1 1 30 30 LEU CA C 30 53.660 53.660 55.132 -1.472 18487 3745 1 8 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.828 0.723 18487 3746 1 8 . 1 1 30 30 LEU H H 30 8.550 8.550 8.137 0.413 18487 3747 1 8 . 1 1 31 31 LYS N N 31 123.555 123.555 127.088 -3.533 18487 3748 1 8 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.991 0.148 18487 3749 1 8 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.254 -0.171 18487 3750 1 8 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.525 1.646 18487 3751 1 8 . 1 1 31 31 LYS H H 31 8.169 8.169 8.115 0.054 18487 3752 1 8 . 1 1 32 32 PHE N N 32 124.529 124.529 125.695 -1.166 18487 3753 1 8 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.936 0.039 18487 3754 1 8 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.952 -0.478 18487 3755 1 8 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.194 -0.117 18487 3756 1 8 . 1 1 32 32 PHE H H 32 9.634 9.634 8.591 1.043 18487 3757 1 8 . 1 1 33 33 LEU N N 33 122.712 122.712 126.686 -3.974 18487 3758 1 8 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.922 0.142 18487 3759 1 8 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.109 1.278 18487 3760 1 8 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.860 -0.034 18487 3761 1 8 . 1 1 33 33 LEU H H 33 9.174 9.174 8.911 0.263 18487 3762 1 8 . 1 1 34 34 SER N N 34 117.120 117.120 121.742 -4.622 18487 3763 1 8 . 1 1 34 34 SER HA H 34 5.116 5.116 4.813 0.303 18487 3764 1 8 . 1 1 34 34 SER CA C 34 56.626 56.626 58.072 -1.446 18487 3765 1 8 . 1 1 34 34 SER CB C 34 64.053 64.053 63.420 0.633 18487 3766 1 8 . 1 1 34 34 SER H H 34 8.979 8.979 8.321 0.658 18487 3767 1 8 . 1 1 35 35 THR N N 35 117.097 117.097 115.904 1.193 18487 3768 1 8 . 1 1 35 35 THR HA H 35 4.460 4.460 4.522 -0.062 18487 3769 1 8 . 1 1 35 35 THR CA C 35 62.944 62.944 62.015 0.929 18487 3770 1 8 . 1 1 35 35 THR CB C 35 69.779 69.779 69.579 0.200 18487 3771 1 8 . 1 1 35 35 THR H H 35 8.646 8.646 8.270 0.376 18487 3772 1 8 . 1 1 36 36 ASP N N 36 120.039 120.039 121.277 -1.238 18487 3773 1 8 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.595 0.260 18487 3774 1 8 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.548 -0.807 18487 3775 1 8 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.019 0.500 18487 3776 1 8 . 1 1 36 36 ASP H H 36 8.711 8.711 7.809 0.902 18487 3777 1 8 . 1 1 37 37 GLY N N 37 107.015 107.015 106.080 0.935 18487 3778 1 8 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.893 0.736 18487 3779 1 8 . 1 1 37 37 GLY H H 37 8.020 8.020 8.250 -0.230 18487 3780 1 8 . 1 1 38 38 GLU N N 38 120.021 120.021 119.887 0.134 18487 3781 1 8 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.375 -0.097 18487 3782 1 8 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.246 0.897 18487 3783 1 8 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.628 -1.311 18487 3784 1 8 . 1 1 38 38 GLU H H 38 8.101 8.101 8.266 -0.165 18487 3785 1 8 . 1 1 39 39 MET N N 39 121.372 121.372 122.339 -0.967 18487 3786 1 8 . 1 1 39 39 MET HA H 39 4.799 4.799 4.648 0.151 18487 3787 1 8 . 1 1 39 39 MET CA C 39 54.229 54.229 54.451 -0.222 18487 3788 1 8 . 1 1 39 39 MET CB C 39 33.392 33.392 34.649 -1.257 18487 3789 1 8 . 1 1 39 39 MET H H 39 8.571 8.571 8.472 0.099 18487 3790 1 8 . 1 1 40 40 LEU N N 40 121.913 121.913 124.073 -2.160 18487 3791 1 8 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.369 -0.110 18487 3792 1 8 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.042 1.102 18487 3793 1 8 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.647 -0.221 18487 3794 1 8 . 1 1 40 40 LEU H H 40 8.572 8.572 8.509 0.063 18487 3795 1 8 . 1 1 41 41 GLN N N 41 114.647 114.647 115.386 -0.739 18487 3796 1 8 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.926 -0.258 18487 3797 1 8 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.643 -0.246 18487 3798 1 8 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.779 3.511 18487 3799 1 8 . 1 1 41 41 GLN H H 41 8.420 8.420 7.566 0.854 18487 3800 1 8 . 1 1 42 42 THR N N 42 111.706 111.706 115.644 -3.938 18487 3801 1 8 . 1 1 42 42 THR HA H 42 4.038 4.038 4.245 -0.207 18487 3802 1 8 . 1 1 42 42 THR CA C 42 63.082 63.082 63.091 -0.009 18487 3803 1 8 . 1 1 42 42 THR CB C 42 69.264 69.264 68.673 0.591 18487 3804 1 8 . 1 1 42 42 THR H H 42 8.205 8.205 8.434 -0.229 18487 3805 1 8 . 1 1 43 43 ARG N N 43 126.367 126.367 119.687 6.680 18487 3806 1 8 . 1 1 43 43 ARG HA H 43 4.149 4.149 3.985 0.164 18487 3807 1 8 . 1 1 43 43 ARG CA C 43 57.433 57.433 56.483 0.950 18487 3808 1 8 . 1 1 43 43 ARG CB C 43 28.927 28.927 28.005 0.922 18487 3809 1 8 . 1 1 43 43 ARG H H 43 8.885 8.885 8.020 0.865 18487 3810 1 8 . 1 1 44 44 GLY N N 44 116.299 116.299 108.977 7.322 18487 3811 1 8 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.117 -0.241 18487 3812 1 8 . 1 1 44 44 GLY H H 44 9.999 9.999 8.365 1.634 18487 3813 1 8 . 1 1 45 45 SER N N 45 117.374 117.374 115.300 2.074 18487 3814 1 8 . 1 1 45 45 SER HA H 45 4.316 4.316 4.965 -0.649 18487 3815 1 8 . 1 1 45 45 SER CA C 45 59.967 59.967 57.097 2.869 18487 3816 1 8 . 1 1 45 45 SER CB C 45 63.866 63.866 64.368 -0.502 18487 3817 1 8 . 1 1 45 45 SER H H 45 8.034 8.034 8.337 -0.303 18487 3818 1 8 . 1 1 46 46 LYS N N 46 124.024 124.024 121.046 2.978 18487 3819 1 8 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.575 -0.318 18487 3820 1 8 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.493 0.808 18487 3821 1 8 . 1 1 46 46 LYS CB C 46 32.677 32.677 32.849 -0.172 18487 3822 1 8 . 1 1 46 46 LYS H H 46 8.560 8.560 8.286 0.274 18487 3823 1 8 . 1 1 47 47 SER N N 47 119.851 119.851 116.271 3.580 18487 3824 1 8 . 1 1 47 47 SER HA H 47 4.824 4.824 4.682 0.142 18487 3825 1 8 . 1 1 47 47 SER CA C 47 57.920 57.920 58.489 -0.569 18487 3826 1 8 . 1 1 47 47 SER CB C 47 63.770 63.770 62.739 1.031 18487 3827 1 8 . 1 1 47 47 SER H H 47 8.663 8.663 8.406 0.257 18487 3828 1 8 . 1 1 48 48 ILE N N 48 124.054 124.054 128.552 -4.498 18487 3829 1 8 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.948 0.409 18487 3830 1 8 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.453 -1.341 18487 3831 1 8 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.412 3.685 18487 3832 1 8 . 1 1 48 48 ILE H H 48 8.619 8.619 8.153 0.466 18487 3833 1 8 . 1 1 49 49 VAL N N 49 128.260 128.260 129.305 -1.045 18487 3834 1 8 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.583 0.149 18487 3835 1 8 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.379 -0.367 18487 3836 1 8 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.861 0.750 18487 3837 1 8 . 1 1 49 49 VAL H H 49 8.498 8.498 8.250 0.248 18487 3838 1 8 . 1 1 50 50 ILE N N 50 127.715 127.715 130.718 -3.003 18487 3839 1 8 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.384 0.119 18487 3840 1 8 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.401 1.089 18487 3841 1 8 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.935 2.528 18487 3842 1 8 . 1 1 50 50 ILE H H 50 9.236 9.236 8.946 0.290 18487 3843 1 8 . 1 1 51 51 LYS N N 51 127.422 127.422 127.512 -0.090 18487 3844 1 8 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.805 -0.145 18487 3845 1 8 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.479 0.071 18487 3846 1 8 . 1 1 51 51 LYS CB C 51 33.943 33.943 34.044 -0.100 18487 3847 1 8 . 1 1 51 51 LYS H H 51 9.673 9.673 8.638 1.035 18487 3848 1 8 . 1 1 52 52 ASN N N 52 117.981 117.981 121.533 -3.552 18487 3849 1 8 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.375 -0.627 18487 3850 1 8 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.068 0.099 18487 3851 1 8 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.349 -0.966 18487 3852 1 8 . 1 1 52 52 ASN H H 52 8.119 8.119 8.693 -0.574 18487 3853 1 8 . 1 1 53 53 THR N N 53 105.425 105.425 110.632 -5.207 18487 3854 1 8 . 1 1 53 53 THR HA H 53 4.218 4.218 4.105 0.113 18487 3855 1 8 . 1 1 53 53 THR CA C 53 60.619 60.619 63.870 -3.251 18487 3856 1 8 . 1 1 53 53 THR CB C 53 69.221 69.221 68.808 0.412 18487 3857 1 8 . 1 1 53 53 THR H H 53 6.908 6.908 8.065 -1.157 18487 3858 1 8 . 1 1 54 54 ASP N N 54 125.547 125.547 124.416 1.131 18487 3859 1 8 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.786 0.180 18487 3860 1 8 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.484 -0.971 18487 3861 1 8 . 1 1 54 54 ASP CB C 54 39.956 39.956 40.122 -0.166 18487 3862 1 8 . 1 1 54 54 ASP H H 54 7.811 7.811 7.666 0.145 18487 3863 1 8 . 1 1 55 55 GLU N N 55 123.946 123.946 124.274 -0.328 18487 3864 1 8 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.943 -0.120 18487 3865 1 8 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.462 0.662 18487 3866 1 8 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.954 -0.023 18487 3867 1 8 . 1 1 55 55 GLU H H 55 7.919 7.919 7.783 0.136 18487 3868 1 8 . 1 1 56 56 ASN N N 56 115.295 115.295 117.916 -2.621 18487 3869 1 8 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.483 0.071 18487 3870 1 8 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.847 0.261 18487 3871 1 8 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.127 1.140 18487 3872 1 8 . 1 1 56 56 ASN H H 56 8.728 8.728 8.673 0.055 18487 3873 1 8 . 1 1 57 57 LEU N N 57 120.223 120.223 120.980 -0.757 18487 3874 1 8 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.355 -0.120 18487 3875 1 8 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.208 0.381 18487 3876 1 8 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.928 0.984 18487 3877 1 8 . 1 1 57 57 LEU H H 57 7.621 7.621 7.411 0.210 18487 3878 1 8 . 1 1 58 58 ILE N N 58 120.489 120.489 120.544 -0.055 18487 3879 1 8 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.769 -0.233 18487 3880 1 8 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.109 1.230 18487 3881 1 8 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.879 0.514 18487 3882 1 8 . 1 1 58 58 ILE H H 58 8.461 8.461 7.555 0.906 18487 3883 1 8 . 1 1 59 59 ASN N N 59 114.873 114.873 116.798 -1.925 18487 3884 1 8 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.473 0.005 18487 3885 1 8 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.270 -0.315 18487 3886 1 8 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.142 -0.107 18487 3887 1 8 . 1 1 59 59 ASN H H 59 7.958 7.958 8.516 -0.558 18487 3888 1 8 . 1 1 60 60 HIS N N 60 115.059 115.059 117.313 -2.254 18487 3889 1 8 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.476 0.292 18487 3890 1 8 . 1 1 60 60 HIS CA C 60 56.337 56.337 59.147 -2.810 18487 3891 1 8 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.767 -0.951 18487 3892 1 8 . 1 1 60 60 HIS H H 60 7.633 7.633 7.588 0.045 18487 3893 1 8 . 1 1 61 61 SER N N 61 115.447 115.447 112.983 2.464 18487 3894 1 8 . 1 1 61 61 SER HA H 61 5.135 5.135 5.172 -0.037 18487 3895 1 8 . 1 1 61 61 SER CA C 61 56.072 56.072 55.700 0.372 18487 3896 1 8 . 1 1 61 61 SER CB C 61 63.806 63.806 63.154 0.652 18487 3897 1 8 . 1 1 61 61 SER H H 61 7.849 7.849 7.996 -0.147 18487 3898 1 8 . 1 1 62 62 LYS N N 62 132.090 132.090 127.280 4.810 18487 3899 1 8 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.180 -0.136 18487 3900 1 8 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.176 0.368 18487 3901 1 8 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.188 -0.649 18487 3902 1 8 . 1 1 62 62 LYS H H 62 9.021 9.021 8.697 0.324 18487 3903 1 8 . 1 1 63 63 LEU N N 63 118.793 118.793 119.556 -0.763 18487 3904 1 8 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.996 0.130 18487 3905 1 8 . 1 1 63 63 LEU CA C 63 57.650 57.650 58.102 -0.452 18487 3906 1 8 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.647 0.132 18487 3907 1 8 . 1 1 63 63 LEU H H 63 8.567 8.567 8.188 0.379 18487 3908 1 8 . 1 1 64 64 ALA N N 64 118.752 118.752 120.631 -1.879 18487 3909 1 8 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.665 -0.045 18487 3910 1 8 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.042 0.015 18487 3911 1 8 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.304 0.281 18487 3912 1 8 . 1 1 64 64 ALA H H 64 7.645 7.645 7.902 -0.257 18487 3913 1 8 . 1 1 65 65 GLN N N 65 115.176 115.176 118.052 -2.876 18487 3914 1 8 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.991 -0.045 18487 3915 1 8 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.202 0.055 18487 3916 1 8 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.486 0.114 18487 3917 1 8 . 1 1 65 65 GLN H H 65 8.539 8.539 7.769 0.770 18487 3918 1 8 . 1 1 66 66 GLN N N 66 115.801 115.801 118.382 -2.581 18487 3919 1 8 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.100 -0.034 18487 3920 1 8 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.324 0.236 18487 3921 1 8 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.390 1.107 18487 3922 1 8 . 1 1 66 66 GLN H H 66 8.125 8.125 7.644 0.481 18487 3923 1 8 . 1 1 67 67 ILE N N 67 119.874 119.874 120.407 -0.533 18487 3924 1 8 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.555 -0.218 18487 3925 1 8 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.441 0.602 18487 3926 1 8 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.691 -0.773 18487 3927 1 8 . 1 1 67 67 ILE H H 67 8.281 8.281 8.076 0.205 18487 3928 1 8 . 1 1 68 68 PHE N N 68 114.873 114.873 117.613 -2.740 18487 3929 1 8 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.516 -0.021 18487 3930 1 8 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.531 0.160 18487 3931 1 8 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.275 -0.627 18487 3932 1 8 . 1 1 68 68 PHE H H 68 8.255 8.255 7.936 0.319 18487 3933 1 8 . 1 1 69 69 LEU N N 69 117.763 117.763 120.216 -2.453 18487 3934 1 8 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.121 0.174 18487 3935 1 8 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.642 -0.306 18487 3936 1 8 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.062 1.065 18487 3937 1 8 . 1 1 69 69 LEU H H 69 7.747 7.747 7.784 -0.037 18487 3938 1 8 . 1 1 70 70 GLN N N 70 115.040 115.040 116.728 -1.688 18487 3939 1 8 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.231 0.081 18487 3940 1 8 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.386 -0.156 18487 3941 1 8 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.028 -0.006 18487 3942 1 8 . 1 1 70 70 GLN H H 70 8.308 8.308 8.242 0.066 18487 3943 1 8 . 1 1 71 71 CYS N N 71 115.881 115.881 119.002 -3.121 18487 3944 1 8 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.926 0.032 18487 3945 1 8 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.755 -0.354 18487 3946 1 8 . 1 1 71 71 CYS CB C 71 28.735 28.735 30.577 -1.842 18487 3947 1 8 . 1 1 71 71 CYS H H 71 8.242 8.242 7.804 0.438 18487 3948 1 8 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.607 -0.044 18487 3949 1 8 . 1 1 72 72 PRO CA C 72 64.009 64.009 64.013 -0.004 18487 3950 1 8 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.268 -0.857 18487 3951 1 8 . 1 1 73 73 GLY N N 73 106.975 106.975 106.787 0.188 18487 3952 1 8 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.997 0.281 18487 3953 1 8 . 1 1 73 73 GLY H H 73 8.657 8.657 7.724 0.933 18487 3954 1 8 . 1 1 74 74 VAL N N 74 119.448 119.448 121.511 -2.063 18487 3955 1 8 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.990 -0.010 18487 3956 1 8 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.439 0.362 18487 3957 1 8 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.763 -0.263 18487 3958 1 8 . 1 1 74 74 VAL H H 74 7.747 7.747 7.228 0.519 18487 3959 1 8 . 1 1 75 75 GLU N N 75 129.063 129.063 125.972 3.091 18487 3960 1 8 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.358 0.109 18487 3961 1 8 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.225 0.805 18487 3962 1 8 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.107 0.505 18487 3963 1 8 . 1 1 75 75 GLU H H 75 8.994 8.994 8.540 0.454 18487 3964 1 8 . 1 1 76 76 SER N N 76 110.068 110.068 112.834 -2.766 18487 3965 1 8 . 1 1 76 76 SER HA H 76 5.283 5.283 5.377 -0.094 18487 3966 1 8 . 1 1 76 76 SER CA C 76 57.395 57.395 58.000 -0.605 18487 3967 1 8 . 1 1 76 76 SER CB C 76 65.281 65.281 66.563 -1.282 18487 3968 1 8 . 1 1 76 76 SER H H 76 8.306 8.306 7.988 0.318 18487 3969 1 8 . 1 1 77 77 LEU N N 77 117.334 117.334 120.717 -3.383 18487 3970 1 8 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.864 0.537 18487 3971 1 8 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.927 -0.346 18487 3972 1 8 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.569 0.604 18487 3973 1 8 . 1 1 77 77 LEU H H 77 9.250 9.250 9.012 0.238 18487 3974 1 8 . 1 1 78 78 MET N N 78 121.119 121.119 123.542 -2.423 18487 3975 1 8 . 1 1 78 78 MET HA H 78 5.367 5.367 4.848 0.519 18487 3976 1 8 . 1 1 78 78 MET CA C 78 53.966 53.966 54.208 -0.242 18487 3977 1 8 . 1 1 78 78 MET CB C 78 36.374 36.374 34.721 1.653 18487 3978 1 8 . 1 1 78 78 MET H H 78 9.333 9.333 8.938 0.395 18487 3979 1 8 . 1 1 79 79 ILE N N 79 127.512 127.512 127.115 0.397 18487 3980 1 8 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.285 -0.293 18487 3981 1 8 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.117 2.509 18487 3982 1 8 . 1 1 79 79 ILE CB C 79 38.387 38.387 37.760 0.628 18487 3983 1 8 . 1 1 79 79 ILE H H 79 9.396 9.396 8.353 1.043 18487 3984 1 8 . 1 1 80 80 GLY N N 80 117.437 117.437 113.008 4.429 18487 3985 1 8 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.004 0.606 18487 3986 1 8 . 1 1 80 80 GLY H H 80 7.916 7.916 7.706 0.210 18487 3987 1 8 . 1 1 81 81 ASP N N 81 118.860 118.860 118.083 0.777 18487 3988 1 8 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.456 0.217 18487 3989 1 8 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.258 -3.224 18487 3990 1 8 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.438 -1.764 18487 3991 1 8 . 1 1 81 81 ASP H H 81 7.983 7.983 8.523 -0.540 18487 3992 1 8 . 1 1 82 82 ASP N N 82 118.682 118.682 115.646 3.036 18487 3993 1 8 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.623 0.196 18487 3994 1 8 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.543 -3.405 18487 3995 1 8 . 1 1 82 82 ASP CB C 82 40.994 40.994 42.002 -1.008 18487 3996 1 8 . 1 1 82 82 ASP H H 82 9.164 9.164 8.486 0.678 18487 3997 1 8 . 1 1 83 83 PHE N N 83 110.898 110.898 114.911 -4.013 18487 3998 1 8 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.010 0.840 18487 3999 1 8 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.897 0.068 18487 4000 1 8 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.154 1.592 18487 4001 1 8 . 1 1 83 83 PHE H H 83 6.887 6.887 7.589 -0.702 18487 4002 1 8 . 1 1 84 84 LEU N N 84 121.119 121.119 121.023 0.096 18487 4003 1 8 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.058 0.175 18487 4004 1 8 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.181 -0.215 18487 4005 1 8 . 1 1 84 84 LEU CB C 84 47.408 47.408 46.332 1.076 18487 4006 1 8 . 1 1 84 84 LEU H H 84 9.118 9.118 8.563 0.555 18487 4007 1 8 . 1 1 85 85 THR N N 85 125.430 125.430 122.643 2.787 18487 4008 1 8 . 1 1 85 85 THR HA H 85 5.639 5.639 5.036 0.603 18487 4009 1 8 . 1 1 85 85 THR CA C 85 61.743 61.743 61.874 -0.131 18487 4010 1 8 . 1 1 85 85 THR CB C 85 69.835 69.835 70.452 -0.617 18487 4011 1 8 . 1 1 85 85 THR H H 85 9.780 9.780 8.763 1.017 18487 4012 1 8 . 1 1 86 86 ILE N N 86 126.778 126.778 127.405 -0.627 18487 4013 1 8 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.396 0.315 18487 4014 1 8 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.407 -1.702 18487 4015 1 8 . 1 1 86 86 ILE CB C 86 39.344 39.344 38.313 1.031 18487 4016 1 8 . 1 1 86 86 ILE H H 86 9.151 9.151 8.898 0.253 18487 4017 1 8 . 1 1 87 87 ASN N N 87 124.785 124.785 125.144 -0.359 18487 4018 1 8 . 1 1 87 87 ASN HA H 87 6.026 6.026 6.171 -0.145 18487 4019 1 8 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.210 -0.178 18487 4020 1 8 . 1 1 87 87 ASN CB C 87 39.679 39.679 42.320 -2.641 18487 4021 1 8 . 1 1 87 87 ASN H H 87 8.680 8.680 8.940 -0.260 18487 4022 1 8 . 1 1 88 88 LYS N N 88 122.617 122.617 123.330 -0.713 18487 4023 1 8 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.838 0.401 18487 4024 1 8 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.377 0.137 18487 4025 1 8 . 1 1 88 88 LYS CB C 88 36.255 36.255 35.063 1.192 18487 4026 1 8 . 1 1 88 88 LYS H H 88 9.361 9.361 8.601 0.760 18487 4027 1 8 . 1 1 89 89 ASP N N 89 121.211 121.211 120.811 0.400 18487 4028 1 8 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.755 -0.294 18487 4029 1 8 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.155 -0.260 18487 4030 1 8 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.077 -0.333 18487 4031 1 8 . 1 1 89 89 ASP H H 89 8.454 8.454 8.270 0.184 18487 4032 1 8 . 1 1 90 90 ARG N N 90 124.551 124.551 124.660 -0.109 18487 4033 1 8 . 1 1 90 90 ARG HA H 90 4.074 4.074 3.905 0.169 18487 4034 1 8 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.801 -0.692 18487 4035 1 8 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.799 0.096 18487 4036 1 8 . 1 1 90 90 ARG H H 90 8.475 8.475 8.824 -0.349 18487 4037 1 8 . 1 1 91 91 MET N N 91 115.821 115.821 114.781 1.040 18487 4038 1 8 . 1 1 91 91 MET HA H 91 4.424 4.424 4.334 0.090 18487 4039 1 8 . 1 1 91 91 MET CA C 91 55.206 55.206 56.609 -1.403 18487 4040 1 8 . 1 1 91 91 MET CB C 91 31.307 31.307 33.450 -2.143 18487 4041 1 8 . 1 1 91 91 MET H H 91 8.725 8.725 7.752 0.973 18487 4042 1 8 . 1 1 92 92 VAL N N 92 119.922 119.922 120.841 -0.919 18487 4043 1 8 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.910 0.196 18487 4044 1 8 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.923 -0.865 18487 4045 1 8 . 1 1 92 92 VAL CB C 92 33.144 33.144 31.931 1.213 18487 4046 1 8 . 1 1 92 92 VAL H H 92 7.348 7.348 7.232 0.116 18487 4047 1 8 . 1 1 93 93 HIS N N 93 125.619 125.619 125.649 -0.030 18487 4048 1 8 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.699 -0.103 18487 4049 1 8 . 1 1 93 93 HIS CA C 93 55.394 55.394 56.270 -0.876 18487 4050 1 8 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.001 0.657 18487 4051 1 8 . 1 1 93 93 HIS H H 93 8.851 8.851 8.416 0.435 18487 4052 1 8 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.313 0.687 18487 4053 1 8 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.895 -0.895 18487 4054 1 8 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.530 0.470 18487 4055 1 8 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.515 0.182 18487 4056 1 8 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.664 0.363 18487 4057 1 8 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.169 -1.018 18487 4058 1 8 . 1 1 96 96 SER N N 96 113.047 113.047 113.915 -0.868 18487 4059 1 8 . 1 1 96 96 SER HA H 96 4.628 4.628 4.492 0.136 18487 4060 1 8 . 1 1 96 96 SER CA C 96 60.183 60.183 59.755 0.428 18487 4061 1 8 . 1 1 96 96 SER CB C 96 63.901 63.901 64.075 -0.174 18487 4062 1 8 . 1 1 96 96 SER H H 96 8.064 8.064 7.798 0.266 18487 4063 1 8 . 1 1 97 97 ILE N N 97 116.621 116.621 120.409 -3.788 18487 4064 1 8 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.157 0.485 18487 4065 1 8 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.318 -0.540 18487 4066 1 8 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.724 3.703 18487 4067 1 8 . 1 1 97 97 ILE H H 97 7.705 7.705 7.617 0.088 18487 4068 1 8 . 1 1 98 98 LYS N N 98 120.198 120.198 120.960 -0.762 18487 4069 1 8 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.234 0.023 18487 4070 1 8 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.450 0.263 18487 4071 1 8 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.309 0.664 18487 4072 1 8 . 1 1 98 98 LYS H H 98 9.132 9.132 8.716 0.416 18487 4073 1 8 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.276 0.008 18487 4074 1 8 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.087 0.247 18487 4075 1 8 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.039 -0.638 18487 4076 1 8 . 1 1 100 100 GLU N N 100 117.097 117.097 118.494 -1.397 18487 4077 1 8 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.049 0.103 18487 4078 1 8 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.053 -0.234 18487 4079 1 8 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.675 0.741 18487 4080 1 8 . 1 1 100 100 GLU H H 100 7.447 7.447 7.673 -0.226 18487 4081 1 8 . 1 1 101 101 ILE N N 101 118.326 118.326 120.405 -2.079 18487 4082 1 8 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.483 -0.119 18487 4083 1 8 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.495 -2.134 18487 4084 1 8 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.595 -1.746 18487 4085 1 8 . 1 1 101 101 ILE H H 101 7.896 7.896 7.675 0.221 18487 4086 1 8 . 1 1 102 102 ILE N N 102 118.368 118.368 119.424 -1.056 18487 4087 1 8 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.348 0.060 18487 4088 1 8 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.822 0.424 18487 4089 1 8 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.377 -0.137 18487 4090 1 8 . 1 1 102 102 ILE H H 102 8.243 8.243 8.135 0.108 18487 4091 1 8 . 1 1 103 103 ASP N N 103 122.381 122.381 120.475 1.906 18487 4092 1 8 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.333 0.045 18487 4093 1 8 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.582 0.400 18487 4094 1 8 . 1 1 103 103 ASP CB C 103 41.534 41.534 41.182 0.352 18487 4095 1 8 . 1 1 103 103 ASP H H 103 7.900 7.900 7.697 0.203 18487 4096 1 8 . 1 1 104 104 LEU N N 104 119.007 119.007 120.276 -1.269 18487 4097 1 8 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.932 0.066 18487 4098 1 8 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.759 -0.020 18487 4099 1 8 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.725 0.417 18487 4100 1 8 . 1 1 104 104 LEU H H 104 8.261 8.261 7.925 0.336 18487 4101 1 8 . 1 1 105 105 LEU N N 105 120.443 120.443 119.664 0.779 18487 4102 1 8 . 1 1 105 105 LEU HA H 105 3.987 3.987 3.951 0.036 18487 4103 1 8 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.956 -1.454 18487 4104 1 8 . 1 1 105 105 LEU CB C 105 42.087 42.087 40.867 1.220 18487 4105 1 8 . 1 1 105 105 LEU H H 105 9.022 9.022 8.420 0.602 18487 4106 1 8 . 1 1 106 106 THR N N 106 114.821 114.821 113.541 1.280 18487 4107 1 8 . 1 1 106 106 THR HA H 106 3.698 3.698 3.984 -0.286 18487 4108 1 8 . 1 1 106 106 THR CA C 106 67.610 67.610 66.210 1.400 18487 4109 1 8 . 1 1 106 106 THR CB C 106 68.325 68.325 68.200 0.125 18487 4110 1 8 . 1 1 106 106 THR H H 106 8.273 8.273 7.307 0.966 18487 4111 1 8 . 1 1 107 107 LYS N N 107 120.049 120.049 121.350 -1.301 18487 4112 1 8 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.919 -0.012 18487 4113 1 8 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.637 0.818 18487 4114 1 8 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.590 0.772 18487 4115 1 8 . 1 1 107 107 LYS H H 107 7.691 7.691 7.462 0.229 18487 4116 1 8 . 1 1 108 108 GLN N N 108 118.375 118.375 118.387 -0.012 18487 4117 1 8 . 1 1 108 108 GLN HA H 108 4.018 4.018 3.808 0.210 18487 4118 1 8 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.362 -0.379 18487 4119 1 8 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.867 -1.212 18487 4120 1 8 . 1 1 108 108 GLN H H 108 7.888 7.888 7.534 0.354 18487 4121 1 8 . 1 1 109 109 LEU N N 109 118.066 118.066 118.834 -0.768 18487 4122 1 8 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.131 0.051 18487 4123 1 8 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.506 -0.039 18487 4124 1 8 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.680 0.130 18487 4125 1 8 . 1 1 109 109 LEU H H 109 8.269 8.269 8.013 0.256 18487 4126 1 8 . 1 1 110 110 ALA N N 110 120.909 120.909 120.561 0.348 18487 4127 1 8 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.021 0.011 18487 4128 1 8 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.945 0.295 18487 4129 1 8 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.307 0.360 18487 4130 1 8 . 1 1 110 110 ALA H H 110 8.171 8.171 7.288 0.883 18487 4131 1 8 . 1 1 111 111 TYR N N 111 114.611 114.611 116.502 -1.891 18487 4132 1 8 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.326 0.316 18487 4133 1 8 . 1 1 111 111 TYR CA C 111 57.927 57.927 57.072 0.855 18487 4134 1 8 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.256 0.216 18487 4135 1 8 . 1 1 111 111 TYR H H 111 7.763 7.763 7.437 0.326 18487 4136 1 8 . 1 1 112 112 GLY N N 112 107.916 107.916 106.271 1.645 18487 4137 1 8 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.150 1.058 18487 4138 1 8 . 1 1 112 112 GLY H H 112 7.941 7.941 7.701 0.240 18487 4139 1 8 . 1 1 113 113 GLU N N 113 119.571 119.571 119.495 0.076 18487 4140 1 8 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.553 -0.163 18487 4141 1 8 . 1 1 113 113 GLU CA C 113 56.025 56.025 54.322 1.704 18487 4142 1 8 . 1 1 113 113 GLU CB C 113 30.403 30.403 32.549 -2.146 18487 4143 1 8 . 1 1 113 113 GLU H H 113 8.166 8.166 7.824 0.342 18487 4144 1 8 . 1 1 114 114 ASP N N 114 121.457 121.457 119.000 2.457 18487 4145 1 8 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.816 -0.191 18487 4146 1 8 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.920 0.155 18487 4147 1 8 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.454 -0.457 18487 4148 1 8 . 1 1 114 114 ASP H H 114 8.560 8.560 8.402 0.158 18487 4149 1 8 . 1 1 115 115 VAL N N 115 120.645 120.645 119.488 1.157 18487 4150 1 8 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.058 0.021 18487 4151 1 8 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.832 -1.314 18487 4152 1 8 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.467 -0.634 18487 4153 1 8 . 1 1 115 115 VAL H H 115 8.659 8.659 8.338 0.321 18487 4154 1 8 . 1 1 116 116 ILE N N 116 120.775 120.775 117.700 3.075 18487 4155 1 8 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.518 0.145 18487 4156 1 8 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.988 -0.252 18487 4157 1 8 . 1 1 116 116 ILE CB C 116 39.798 39.798 39.805 -0.007 18487 4158 1 8 . 1 1 116 116 ILE H H 116 7.881 7.881 7.688 0.193 18487 4159 1 8 . 1 1 117 117 SER N N 117 121.192 121.192 123.240 -2.048 18487 4160 1 8 . 1 1 117 117 SER HA H 117 4.641 4.641 4.391 0.250 18487 4161 1 8 . 1 1 117 117 SER CA C 117 57.846 57.846 59.266 -1.419 18487 4162 1 8 . 1 1 117 117 SER CB C 117 63.962 63.962 62.669 1.292 18487 4163 1 8 . 1 1 117 117 SER H H 117 8.767 8.767 8.490 0.277 18487 4164 1 8 . 1 1 118 118 LYS N N 118 124.317 124.317 128.245 -3.928 18487 4165 1 8 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.095 0.261 18487 4166 1 8 . 1 1 118 118 LYS CA C 118 56.537 56.537 57.827 -1.290 18487 4167 1 8 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.956 0.094 18487 4168 1 8 . 1 1 118 118 LYS H H 118 8.633 8.633 8.739 -0.106 18487 4169 1 9 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.808 -0.128 18487 4170 1 9 . 1 1 11 11 MET N N 11 120.918 120.918 127.167 -6.249 18487 4171 1 9 . 1 1 11 11 MET HA H 11 4.435 4.435 4.386 0.049 18487 4172 1 9 . 1 1 11 11 MET CA C 11 55.736 55.736 54.689 1.047 18487 4173 1 9 . 1 1 11 11 MET CB C 11 32.501 32.501 31.901 0.600 18487 4174 1 9 . 1 1 11 11 MET H H 11 8.289 8.289 8.691 -0.402 18487 4175 1 9 . 1 1 12 12 ASN N N 12 120.356 120.356 124.159 -3.803 18487 4176 1 9 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.722 0.036 18487 4177 1 9 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.215 0.272 18487 4178 1 9 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.223 -0.647 18487 4179 1 9 . 1 1 12 12 ASN H H 12 8.583 8.583 8.283 0.300 18487 4180 1 9 . 1 1 13 13 SER N N 13 116.582 116.582 119.575 -2.993 18487 4181 1 9 . 1 1 13 13 SER HA H 13 4.378 4.378 4.410 -0.032 18487 4182 1 9 . 1 1 13 13 SER CA C 13 58.842 58.842 58.769 0.073 18487 4183 1 9 . 1 1 13 13 SER CB C 13 63.403 63.403 64.203 -0.800 18487 4184 1 9 . 1 1 13 13 SER H H 13 8.319 8.319 8.629 -0.310 18487 4185 1 9 . 1 1 14 14 GLN N N 14 121.369 121.369 121.680 -0.311 18487 4186 1 9 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.451 -0.133 18487 4187 1 9 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.041 1.058 18487 4188 1 9 . 1 1 14 14 GLN CB C 14 28.944 28.944 30.172 -1.228 18487 4189 1 9 . 1 1 14 14 GLN H H 14 8.365 8.365 8.330 0.035 18487 4190 1 9 . 1 1 15 15 ARG N N 15 121.565 121.565 122.501 -0.936 18487 4191 1 9 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.019 0.295 18487 4192 1 9 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.623 -0.735 18487 4193 1 9 . 1 1 15 15 ARG CB C 15 30.427 30.427 29.473 0.955 18487 4194 1 9 . 1 1 15 15 ARG H H 15 8.084 8.084 8.513 -0.429 18487 4195 1 9 . 1 1 16 16 LEU N N 16 123.810 123.810 117.754 6.056 18487 4196 1 9 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.689 -0.346 18487 4197 1 9 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.161 1.479 18487 4198 1 9 . 1 1 16 16 LEU CB C 16 42.062 42.062 43.535 -1.473 18487 4199 1 9 . 1 1 16 16 LEU H H 16 8.254 8.254 7.709 0.545 18487 4200 1 9 . 1 1 17 17 ILE N N 17 122.996 122.996 122.620 0.376 18487 4201 1 9 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.961 0.193 18487 4202 1 9 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.000 -0.786 18487 4203 1 9 . 1 1 17 17 ILE CB C 17 38.784 38.784 37.908 0.876 18487 4204 1 9 . 1 1 17 17 ILE H H 17 8.006 8.006 8.282 -0.276 18487 4205 1 9 . 1 1 18 18 HIS N N 18 126.123 126.123 127.868 -1.745 18487 4206 1 9 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.562 0.283 18487 4207 1 9 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.474 -1.269 18487 4208 1 9 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.707 0.490 18487 4209 1 9 . 1 1 18 18 HIS H H 18 9.025 9.025 8.622 0.403 18487 4210 1 9 . 1 1 19 19 ILE N N 19 124.783 124.783 124.781 0.002 18487 4211 1 9 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.583 0.407 18487 4212 1 9 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.994 -1.486 18487 4213 1 9 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.897 -0.547 18487 4214 1 9 . 1 1 19 19 ILE H H 19 8.485 8.485 8.586 -0.101 18487 4215 1 9 . 1 1 20 20 LYS N N 20 128.184 128.184 128.781 -0.597 18487 4216 1 9 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.714 0.045 18487 4217 1 9 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.870 -0.741 18487 4218 1 9 . 1 1 20 20 LYS CB C 20 35.641 35.641 35.390 0.251 18487 4219 1 9 . 1 1 20 20 LYS H H 20 9.253 9.253 8.985 0.268 18487 4220 1 9 . 1 1 21 21 THR N N 21 114.649 114.649 121.921 -7.272 18487 4221 1 9 . 1 1 21 21 THR HA H 21 4.930 4.930 4.625 0.305 18487 4222 1 9 . 1 1 21 21 THR CA C 21 60.191 60.191 61.789 -1.598 18487 4223 1 9 . 1 1 21 21 THR CB C 21 69.966 69.966 68.896 1.070 18487 4224 1 9 . 1 1 21 21 THR H H 21 8.232 8.232 8.496 -0.264 18487 4225 1 9 . 1 1 22 22 LEU N N 22 125.973 125.973 128.446 -2.473 18487 4226 1 9 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.575 0.104 18487 4227 1 9 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.736 0.017 18487 4228 1 9 . 1 1 22 22 LEU CB C 22 45.134 45.134 43.394 1.740 18487 4229 1 9 . 1 1 22 22 LEU H H 22 9.156 9.156 8.448 0.708 18487 4230 1 9 . 1 1 23 23 THR N N 23 112.582 112.582 112.971 -0.389 18487 4231 1 9 . 1 1 23 23 THR HA H 23 4.281 4.281 4.313 -0.032 18487 4232 1 9 . 1 1 23 23 THR CA C 23 61.474 61.474 61.478 -0.004 18487 4233 1 9 . 1 1 23 23 THR CB C 23 69.759 69.759 69.386 0.373 18487 4234 1 9 . 1 1 23 23 THR H H 23 7.912 7.912 8.165 -0.253 18487 4235 1 9 . 1 1 24 24 THR N N 24 112.952 112.952 114.368 -1.416 18487 4236 1 9 . 1 1 24 24 THR HA H 24 5.040 5.040 4.810 0.230 18487 4237 1 9 . 1 1 24 24 THR CA C 24 60.000 60.000 58.015 1.985 18487 4238 1 9 . 1 1 24 24 THR CB C 24 69.872 69.872 69.868 0.004 18487 4239 1 9 . 1 1 24 24 THR H H 24 8.793 8.793 7.876 0.917 18487 4240 1 9 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.229 0.216 18487 4241 1 9 . 1 1 25 25 PRO CA C 25 64.322 64.322 64.089 0.233 18487 4242 1 9 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.704 -0.124 18487 4243 1 9 . 1 1 26 26 ASN N N 26 115.534 115.534 118.891 -3.357 18487 4244 1 9 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.614 0.321 18487 4245 1 9 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.540 -1.503 18487 4246 1 9 . 1 1 26 26 ASN CB C 26 39.722 39.722 37.581 2.141 18487 4247 1 9 . 1 1 26 26 ASN H H 26 7.774 7.774 8.535 -0.761 18487 4248 1 9 . 1 1 27 27 GLU N N 27 127.099 127.099 123.287 3.812 18487 4249 1 9 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.154 0.256 18487 4250 1 9 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.613 0.345 18487 4251 1 9 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.415 -0.310 18487 4252 1 9 . 1 1 27 27 GLU H H 27 9.428 9.428 8.953 0.475 18487 4253 1 9 . 1 1 28 28 ASN N N 28 115.176 115.176 117.397 -2.221 18487 4254 1 9 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.956 0.030 18487 4255 1 9 . 1 1 28 28 ASN CA C 28 53.784 53.784 53.931 -0.147 18487 4256 1 9 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.688 -0.143 18487 4257 1 9 . 1 1 28 28 ASN H H 28 8.591 8.591 8.473 0.118 18487 4258 1 9 . 1 1 29 29 ALA N N 29 123.317 123.317 121.344 1.973 18487 4259 1 9 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.520 0.856 18487 4260 1 9 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.568 0.742 18487 4261 1 9 . 1 1 29 29 ALA CB C 29 22.158 22.158 22.561 -0.403 18487 4262 1 9 . 1 1 29 29 ALA H H 29 8.210 8.210 7.488 0.722 18487 4263 1 9 . 1 1 30 30 LEU N N 30 124.426 124.426 120.594 3.832 18487 4264 1 9 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.266 0.242 18487 4265 1 9 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.991 -1.331 18487 4266 1 9 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.126 0.425 18487 4267 1 9 . 1 1 30 30 LEU H H 30 8.550 8.550 8.273 0.277 18487 4268 1 9 . 1 1 31 31 LYS N N 31 123.555 123.555 126.615 -3.060 18487 4269 1 9 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.746 0.393 18487 4270 1 9 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.531 -0.448 18487 4271 1 9 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.203 1.968 18487 4272 1 9 . 1 1 31 31 LYS H H 31 8.169 8.169 7.871 0.298 18487 4273 1 9 . 1 1 32 32 PHE N N 32 124.529 124.529 125.373 -0.844 18487 4274 1 9 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.838 0.137 18487 4275 1 9 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.270 -0.796 18487 4276 1 9 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.567 -0.490 18487 4277 1 9 . 1 1 32 32 PHE H H 32 9.634 9.634 9.273 0.361 18487 4278 1 9 . 1 1 33 33 LEU N N 33 122.712 122.712 124.240 -1.528 18487 4279 1 9 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.974 0.090 18487 4280 1 9 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.749 0.638 18487 4281 1 9 . 1 1 33 33 LEU CB C 33 45.826 45.826 46.825 -1.000 18487 4282 1 9 . 1 1 33 33 LEU H H 33 9.174 9.174 8.945 0.229 18487 4283 1 9 . 1 1 34 34 SER N N 34 117.120 117.120 122.163 -5.043 18487 4284 1 9 . 1 1 34 34 SER HA H 34 5.116 5.116 5.201 -0.085 18487 4285 1 9 . 1 1 34 34 SER CA C 34 56.626 56.626 57.852 -1.226 18487 4286 1 9 . 1 1 34 34 SER CB C 34 64.053 64.053 63.663 0.390 18487 4287 1 9 . 1 1 34 34 SER H H 34 8.979 8.979 9.292 -0.313 18487 4288 1 9 . 1 1 35 35 THR N N 35 117.097 117.097 119.186 -2.089 18487 4289 1 9 . 1 1 35 35 THR HA H 35 4.460 4.460 4.199 0.261 18487 4290 1 9 . 1 1 35 35 THR CA C 35 62.944 62.944 64.596 -1.651 18487 4291 1 9 . 1 1 35 35 THR CB C 35 69.779 69.779 68.600 1.179 18487 4292 1 9 . 1 1 35 35 THR H H 35 8.646 8.646 8.490 0.156 18487 4293 1 9 . 1 1 36 36 ASP N N 36 120.039 120.039 121.858 -1.819 18487 4294 1 9 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.585 0.270 18487 4295 1 9 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.164 -0.423 18487 4296 1 9 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.125 0.394 18487 4297 1 9 . 1 1 36 36 ASP H H 36 8.711 8.711 8.131 0.580 18487 4298 1 9 . 1 1 37 37 GLY N N 37 107.015 107.015 108.177 -1.162 18487 4299 1 9 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.684 0.945 18487 4300 1 9 . 1 1 37 37 GLY H H 37 8.020 8.020 7.713 0.307 18487 4301 1 9 . 1 1 38 38 GLU N N 38 120.021 120.021 120.788 -0.767 18487 4302 1 9 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.402 -0.124 18487 4303 1 9 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.247 1.896 18487 4304 1 9 . 1 1 38 38 GLU CB C 38 29.317 29.317 27.824 1.493 18487 4305 1 9 . 1 1 38 38 GLU H H 38 8.101 8.101 8.192 -0.091 18487 4306 1 9 . 1 1 39 39 MET N N 39 121.372 121.372 122.934 -1.562 18487 4307 1 9 . 1 1 39 39 MET HA H 39 4.799 4.799 4.310 0.489 18487 4308 1 9 . 1 1 39 39 MET CA C 39 54.229 54.229 56.258 -2.029 18487 4309 1 9 . 1 1 39 39 MET CB C 39 33.392 33.392 33.468 -0.076 18487 4310 1 9 . 1 1 39 39 MET H H 39 8.571 8.571 7.861 0.710 18487 4311 1 9 . 1 1 40 40 LEU N N 40 121.913 121.913 125.643 -3.730 18487 4312 1 9 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.658 -0.399 18487 4313 1 9 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.551 0.593 18487 4314 1 9 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.479 -0.053 18487 4315 1 9 . 1 1 40 40 LEU H H 40 8.572 8.572 8.257 0.315 18487 4316 1 9 . 1 1 41 41 GLN N N 41 114.647 114.647 115.508 -0.861 18487 4317 1 9 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.538 0.130 18487 4318 1 9 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.156 0.241 18487 4319 1 9 . 1 1 41 41 GLN CB C 41 35.290 35.290 30.220 5.070 18487 4320 1 9 . 1 1 41 41 GLN H H 41 8.420 8.420 7.733 0.687 18487 4321 1 9 . 1 1 42 42 THR N N 42 111.706 111.706 116.908 -5.202 18487 4322 1 9 . 1 1 42 42 THR HA H 42 4.038 4.038 4.278 -0.240 18487 4323 1 9 . 1 1 42 42 THR CA C 42 63.082 63.082 62.512 0.570 18487 4324 1 9 . 1 1 42 42 THR CB C 42 69.264 69.264 69.681 -0.417 18487 4325 1 9 . 1 1 42 42 THR H H 42 8.205 8.205 8.041 0.164 18487 4326 1 9 . 1 1 43 43 ARG N N 43 126.367 126.367 125.809 0.558 18487 4327 1 9 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.063 0.086 18487 4328 1 9 . 1 1 43 43 ARG CA C 43 57.433 57.433 56.609 0.824 18487 4329 1 9 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.443 -0.516 18487 4330 1 9 . 1 1 43 43 ARG H H 43 8.885 8.885 8.729 0.156 18487 4331 1 9 . 1 1 44 44 GLY N N 44 116.299 116.299 114.384 1.915 18487 4332 1 9 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.859 0.017 18487 4333 1 9 . 1 1 44 44 GLY H H 44 9.999 9.999 8.858 1.141 18487 4334 1 9 . 1 1 45 45 SER N N 45 117.374 117.374 115.612 1.762 18487 4335 1 9 . 1 1 45 45 SER HA H 45 4.316 4.316 4.576 -0.260 18487 4336 1 9 . 1 1 45 45 SER CA C 45 59.967 59.967 58.298 1.669 18487 4337 1 9 . 1 1 45 45 SER CB C 45 63.866 63.866 64.090 -0.224 18487 4338 1 9 . 1 1 45 45 SER H H 45 8.034 8.034 7.737 0.297 18487 4339 1 9 . 1 1 46 46 LYS N N 46 124.024 124.024 121.090 2.934 18487 4340 1 9 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.438 -0.181 18487 4341 1 9 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.373 0.929 18487 4342 1 9 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.145 -0.468 18487 4343 1 9 . 1 1 46 46 LYS H H 46 8.560 8.560 8.358 0.202 18487 4344 1 9 . 1 1 47 47 SER N N 47 119.851 119.851 117.849 2.002 18487 4345 1 9 . 1 1 47 47 SER HA H 47 4.824 4.824 4.644 0.180 18487 4346 1 9 . 1 1 47 47 SER CA C 47 57.920 57.920 58.218 -0.298 18487 4347 1 9 . 1 1 47 47 SER CB C 47 63.770 63.770 62.805 0.965 18487 4348 1 9 . 1 1 47 47 SER H H 47 8.663 8.663 8.568 0.095 18487 4349 1 9 . 1 1 48 48 ILE N N 48 124.054 124.054 128.358 -4.304 18487 4350 1 9 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.948 0.409 18487 4351 1 9 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.742 -1.630 18487 4352 1 9 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.082 3.015 18487 4353 1 9 . 1 1 48 48 ILE H H 48 8.619 8.619 8.309 0.310 18487 4354 1 9 . 1 1 49 49 VAL N N 49 128.260 128.260 129.268 -1.008 18487 4355 1 9 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.542 0.190 18487 4356 1 9 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.492 -0.480 18487 4357 1 9 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.913 0.698 18487 4358 1 9 . 1 1 49 49 VAL H H 49 8.498 8.498 8.621 -0.123 18487 4359 1 9 . 1 1 50 50 ILE N N 50 127.715 127.715 130.920 -3.205 18487 4360 1 9 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.338 0.165 18487 4361 1 9 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.407 1.083 18487 4362 1 9 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.105 2.358 18487 4363 1 9 . 1 1 50 50 ILE H H 50 9.236 9.236 9.096 0.140 18487 4364 1 9 . 1 1 51 51 LYS N N 51 127.422 127.422 127.609 -0.187 18487 4365 1 9 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.659 0.001 18487 4366 1 9 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.815 -0.265 18487 4367 1 9 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.758 0.185 18487 4368 1 9 . 1 1 51 51 LYS H H 51 9.673 9.673 8.039 1.634 18487 4369 1 9 . 1 1 52 52 ASN N N 52 117.981 117.981 119.882 -1.901 18487 4370 1 9 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.733 -0.985 18487 4371 1 9 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.193 -0.026 18487 4372 1 9 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.660 -1.277 18487 4373 1 9 . 1 1 52 52 ASN H H 52 8.119 8.119 9.058 -0.939 18487 4374 1 9 . 1 1 53 53 THR N N 53 105.425 105.425 112.426 -7.001 18487 4375 1 9 . 1 1 53 53 THR HA H 53 4.218 4.218 4.225 -0.007 18487 4376 1 9 . 1 1 53 53 THR CA C 53 60.619 60.619 63.563 -2.944 18487 4377 1 9 . 1 1 53 53 THR CB C 53 69.221 69.221 69.058 0.163 18487 4378 1 9 . 1 1 53 53 THR H H 53 6.908 6.908 8.098 -1.190 18487 4379 1 9 . 1 1 54 54 ASP N N 54 125.547 125.547 125.026 0.521 18487 4380 1 9 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.902 0.064 18487 4381 1 9 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.031 -0.518 18487 4382 1 9 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.254 0.702 18487 4383 1 9 . 1 1 54 54 ASP H H 54 7.811 7.811 7.577 0.234 18487 4384 1 9 . 1 1 55 55 GLU N N 55 123.946 123.946 122.046 1.900 18487 4385 1 9 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.823 0.000 18487 4386 1 9 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.571 0.553 18487 4387 1 9 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.898 0.034 18487 4388 1 9 . 1 1 55 55 GLU H H 55 7.919 7.919 7.625 0.294 18487 4389 1 9 . 1 1 56 56 ASN N N 56 115.295 115.295 116.802 -1.507 18487 4390 1 9 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.638 -0.084 18487 4391 1 9 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.839 0.269 18487 4392 1 9 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.748 0.519 18487 4393 1 9 . 1 1 56 56 ASN H H 56 8.728 8.728 8.597 0.131 18487 4394 1 9 . 1 1 57 57 LEU N N 57 120.223 120.223 120.794 -0.571 18487 4395 1 9 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.261 -0.026 18487 4396 1 9 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.268 0.321 18487 4397 1 9 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.986 0.926 18487 4398 1 9 . 1 1 57 57 LEU H H 57 7.621 7.621 7.377 0.244 18487 4399 1 9 . 1 1 58 58 ILE N N 58 120.489 120.489 119.842 0.647 18487 4400 1 9 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.661 -0.125 18487 4401 1 9 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.444 0.895 18487 4402 1 9 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.459 0.934 18487 4403 1 9 . 1 1 58 58 ILE H H 58 8.461 8.461 7.821 0.640 18487 4404 1 9 . 1 1 59 59 ASN N N 59 114.873 114.873 117.178 -2.305 18487 4405 1 9 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.383 0.095 18487 4406 1 9 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.609 -0.654 18487 4407 1 9 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.428 -0.393 18487 4408 1 9 . 1 1 59 59 ASN H H 59 7.958 7.958 8.156 -0.198 18487 4409 1 9 . 1 1 60 60 HIS N N 60 115.059 115.059 115.203 -0.144 18487 4410 1 9 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.701 0.067 18487 4411 1 9 . 1 1 60 60 HIS CA C 60 56.337 56.337 56.323 0.014 18487 4412 1 9 . 1 1 60 60 HIS CB C 60 29.816 29.816 29.953 -0.137 18487 4413 1 9 . 1 1 60 60 HIS H H 60 7.633 7.633 7.432 0.201 18487 4414 1 9 . 1 1 61 61 SER N N 61 115.447 115.447 115.141 0.306 18487 4415 1 9 . 1 1 61 61 SER HA H 61 5.135 5.135 5.295 -0.160 18487 4416 1 9 . 1 1 61 61 SER CA C 61 56.072 56.072 57.367 -1.295 18487 4417 1 9 . 1 1 61 61 SER CB C 61 63.806 63.806 64.608 -0.802 18487 4418 1 9 . 1 1 61 61 SER H H 61 7.849 7.849 7.716 0.133 18487 4419 1 9 . 1 1 62 62 LYS N N 62 132.090 132.090 128.356 3.734 18487 4420 1 9 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.350 -0.306 18487 4421 1 9 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.760 0.785 18487 4422 1 9 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.373 -0.834 18487 4423 1 9 . 1 1 62 62 LYS H H 62 9.021 9.021 8.246 0.775 18487 4424 1 9 . 1 1 63 63 LEU N N 63 118.793 118.793 119.716 -0.923 18487 4425 1 9 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.991 0.135 18487 4426 1 9 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.925 -0.275 18487 4427 1 9 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.440 0.339 18487 4428 1 9 . 1 1 63 63 LEU H H 63 8.567 8.567 8.032 0.535 18487 4429 1 9 . 1 1 64 64 ALA N N 64 118.752 118.752 119.986 -1.234 18487 4430 1 9 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.842 -0.222 18487 4431 1 9 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.176 -0.119 18487 4432 1 9 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.405 0.180 18487 4433 1 9 . 1 1 64 64 ALA H H 64 7.645 7.645 8.246 -0.601 18487 4434 1 9 . 1 1 65 65 GLN N N 65 115.176 115.176 118.224 -3.048 18487 4435 1 9 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.971 -0.025 18487 4436 1 9 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.196 0.061 18487 4437 1 9 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.502 0.098 18487 4438 1 9 . 1 1 65 65 GLN H H 65 8.539 8.539 7.905 0.634 18487 4439 1 9 . 1 1 66 66 GLN N N 66 115.801 115.801 118.540 -2.739 18487 4440 1 9 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.073 -0.007 18487 4441 1 9 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.449 0.111 18487 4442 1 9 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.379 1.118 18487 4443 1 9 . 1 1 66 66 GLN H H 66 8.125 8.125 7.647 0.478 18487 4444 1 9 . 1 1 67 67 ILE N N 67 119.874 119.874 120.110 -0.236 18487 4445 1 9 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.620 -0.283 18487 4446 1 9 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.246 0.797 18487 4447 1 9 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.776 -0.858 18487 4448 1 9 . 1 1 67 67 ILE H H 67 8.281 8.281 7.957 0.324 18487 4449 1 9 . 1 1 68 68 PHE N N 68 114.873 114.873 117.334 -2.461 18487 4450 1 9 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.478 0.017 18487 4451 1 9 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.225 -0.534 18487 4452 1 9 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.412 -0.764 18487 4453 1 9 . 1 1 68 68 PHE H H 68 8.255 8.255 8.062 0.193 18487 4454 1 9 . 1 1 69 69 LEU N N 69 117.763 117.763 120.522 -2.759 18487 4455 1 9 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.095 0.200 18487 4456 1 9 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.750 -0.414 18487 4457 1 9 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.119 1.009 18487 4458 1 9 . 1 1 69 69 LEU H H 69 7.747 7.747 7.731 0.016 18487 4459 1 9 . 1 1 70 70 GLN N N 70 115.040 115.040 115.870 -0.830 18487 4460 1 9 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.234 0.078 18487 4461 1 9 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.711 -0.481 18487 4462 1 9 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.187 -0.165 18487 4463 1 9 . 1 1 70 70 GLN H H 70 8.308 8.308 8.056 0.252 18487 4464 1 9 . 1 1 71 71 CYS N N 71 115.881 115.881 118.421 -2.540 18487 4465 1 9 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.911 0.047 18487 4466 1 9 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.382 0.020 18487 4467 1 9 . 1 1 71 71 CYS CB C 71 28.735 28.735 28.385 0.350 18487 4468 1 9 . 1 1 71 71 CYS H H 71 8.242 8.242 7.814 0.428 18487 4469 1 9 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.513 0.050 18487 4470 1 9 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.584 0.426 18487 4471 1 9 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.301 -0.890 18487 4472 1 9 . 1 1 73 73 GLY N N 73 106.975 106.975 107.578 -0.603 18487 4473 1 9 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.335 0.943 18487 4474 1 9 . 1 1 73 73 GLY H H 73 8.657 8.657 8.312 0.345 18487 4475 1 9 . 1 1 74 74 VAL N N 74 119.448 119.448 120.411 -0.963 18487 4476 1 9 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.243 -0.263 18487 4477 1 9 . 1 1 74 74 VAL CA C 74 63.801 63.801 61.233 2.568 18487 4478 1 9 . 1 1 74 74 VAL CB C 74 31.500 31.500 34.084 -2.584 18487 4479 1 9 . 1 1 74 74 VAL H H 74 7.747 7.747 7.424 0.323 18487 4480 1 9 . 1 1 75 75 GLU N N 75 129.063 129.063 125.789 3.274 18487 4481 1 9 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.479 -0.012 18487 4482 1 9 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.757 0.273 18487 4483 1 9 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.460 0.152 18487 4484 1 9 . 1 1 75 75 GLU H H 75 8.994 8.994 8.554 0.440 18487 4485 1 9 . 1 1 76 76 SER N N 76 110.068 110.068 111.854 -1.786 18487 4486 1 9 . 1 1 76 76 SER HA H 76 5.283 5.283 5.246 0.037 18487 4487 1 9 . 1 1 76 76 SER CA C 76 57.395 57.395 57.162 0.233 18487 4488 1 9 . 1 1 76 76 SER CB C 76 65.281 65.281 65.308 -0.027 18487 4489 1 9 . 1 1 76 76 SER H H 76 8.306 8.306 8.092 0.214 18487 4490 1 9 . 1 1 77 77 LEU N N 77 117.334 117.334 122.560 -5.226 18487 4491 1 9 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.814 0.587 18487 4492 1 9 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.062 -0.481 18487 4493 1 9 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.765 0.408 18487 4494 1 9 . 1 1 77 77 LEU H H 77 9.250 9.250 8.906 0.344 18487 4495 1 9 . 1 1 78 78 MET N N 78 121.119 121.119 124.489 -3.370 18487 4496 1 9 . 1 1 78 78 MET HA H 78 5.367 5.367 4.992 0.375 18487 4497 1 9 . 1 1 78 78 MET CA C 78 53.966 53.966 54.173 -0.207 18487 4498 1 9 . 1 1 78 78 MET CB C 78 36.374 36.374 34.507 1.867 18487 4499 1 9 . 1 1 78 78 MET H H 78 9.333 9.333 9.048 0.285 18487 4500 1 9 . 1 1 79 79 ILE N N 79 127.512 127.512 127.708 -0.196 18487 4501 1 9 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.277 -0.285 18487 4502 1 9 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.062 2.564 18487 4503 1 9 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.904 2.482 18487 4504 1 9 . 1 1 79 79 ILE H H 79 9.396 9.396 8.509 0.887 18487 4505 1 9 . 1 1 80 80 GLY N N 80 117.437 117.437 113.948 3.489 18487 4506 1 9 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.920 0.690 18487 4507 1 9 . 1 1 80 80 GLY H H 80 7.916 7.916 7.596 0.320 18487 4508 1 9 . 1 1 81 81 ASP N N 81 118.860 118.860 117.736 1.124 18487 4509 1 9 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.302 0.371 18487 4510 1 9 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.439 -2.405 18487 4511 1 9 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.991 -1.317 18487 4512 1 9 . 1 1 81 81 ASP H H 81 7.983 7.983 8.561 -0.578 18487 4513 1 9 . 1 1 82 82 ASP N N 82 118.682 118.682 118.226 0.456 18487 4514 1 9 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.573 0.246 18487 4515 1 9 . 1 1 82 82 ASP CA C 82 52.138 52.138 54.929 -2.791 18487 4516 1 9 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.242 -0.248 18487 4517 1 9 . 1 1 82 82 ASP H H 82 9.164 9.164 8.722 0.442 18487 4518 1 9 . 1 1 83 83 PHE N N 83 110.898 110.898 116.571 -5.673 18487 4519 1 9 . 1 1 83 83 PHE HA H 83 5.850 5.850 4.871 0.979 18487 4520 1 9 . 1 1 83 83 PHE CA C 83 54.965 54.965 56.308 -1.343 18487 4521 1 9 . 1 1 83 83 PHE CB C 83 42.746 42.746 40.922 1.824 18487 4522 1 9 . 1 1 83 83 PHE H H 83 6.887 6.887 7.409 -0.522 18487 4523 1 9 . 1 1 84 84 LEU N N 84 121.119 121.119 122.005 -0.886 18487 4524 1 9 . 1 1 84 84 LEU HA H 84 5.233 5.233 4.823 0.410 18487 4525 1 9 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.933 -0.967 18487 4526 1 9 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.325 2.083 18487 4527 1 9 . 1 1 84 84 LEU H H 84 9.118 9.118 8.760 0.358 18487 4528 1 9 . 1 1 85 85 THR N N 85 125.430 125.430 125.373 0.057 18487 4529 1 9 . 1 1 85 85 THR HA H 85 5.639 5.639 5.177 0.462 18487 4530 1 9 . 1 1 85 85 THR CA C 85 61.743 61.743 61.871 -0.128 18487 4531 1 9 . 1 1 85 85 THR CB C 85 69.835 69.835 69.416 0.419 18487 4532 1 9 . 1 1 85 85 THR H H 85 9.780 9.780 8.816 0.964 18487 4533 1 9 . 1 1 86 86 ILE N N 86 126.778 126.778 128.461 -1.683 18487 4534 1 9 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.269 0.442 18487 4535 1 9 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.693 -1.988 18487 4536 1 9 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.711 1.633 18487 4537 1 9 . 1 1 86 86 ILE H H 86 9.151 9.151 8.714 0.437 18487 4538 1 9 . 1 1 87 87 ASN N N 87 124.785 124.785 125.231 -0.446 18487 4539 1 9 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.806 0.220 18487 4540 1 9 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.424 -0.392 18487 4541 1 9 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.876 -2.196 18487 4542 1 9 . 1 1 87 87 ASN H H 87 8.680 8.680 8.825 -0.145 18487 4543 1 9 . 1 1 88 88 LYS N N 88 122.617 122.617 121.543 1.074 18487 4544 1 9 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.712 0.527 18487 4545 1 9 . 1 1 88 88 LYS CA C 88 53.514 53.514 54.046 -0.532 18487 4546 1 9 . 1 1 88 88 LYS CB C 88 36.255 36.255 35.280 0.975 18487 4547 1 9 . 1 1 88 88 LYS H H 88 9.361 9.361 8.550 0.811 18487 4548 1 9 . 1 1 89 89 ASP N N 89 121.211 121.211 119.805 1.406 18487 4549 1 9 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.655 -0.194 18487 4550 1 9 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.054 0.841 18487 4551 1 9 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.156 -0.412 18487 4552 1 9 . 1 1 89 89 ASP H H 89 8.454 8.454 8.605 -0.151 18487 4553 1 9 . 1 1 90 90 ARG N N 90 124.551 124.551 123.375 1.176 18487 4554 1 9 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.225 -0.151 18487 4555 1 9 . 1 1 90 90 ARG CA C 90 58.109 58.109 57.542 0.567 18487 4556 1 9 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.383 0.512 18487 4557 1 9 . 1 1 90 90 ARG H H 90 8.475 8.475 8.615 -0.140 18487 4558 1 9 . 1 1 91 91 MET N N 91 115.821 115.821 118.003 -2.182 18487 4559 1 9 . 1 1 91 91 MET HA H 91 4.424 4.424 4.266 0.158 18487 4560 1 9 . 1 1 91 91 MET CA C 91 55.206 55.206 57.173 -1.967 18487 4561 1 9 . 1 1 91 91 MET CB C 91 31.307 31.307 33.398 -2.091 18487 4562 1 9 . 1 1 91 91 MET H H 91 8.725 8.725 7.839 0.886 18487 4563 1 9 . 1 1 92 92 VAL N N 92 119.922 119.922 118.248 1.674 18487 4564 1 9 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.936 0.170 18487 4565 1 9 . 1 1 92 92 VAL CA C 92 61.058 61.058 60.925 0.133 18487 4566 1 9 . 1 1 92 92 VAL CB C 92 33.144 33.144 33.079 0.065 18487 4567 1 9 . 1 1 92 92 VAL H H 92 7.348 7.348 7.224 0.124 18487 4568 1 9 . 1 1 93 93 HIS N N 93 125.619 125.619 122.954 2.665 18487 4569 1 9 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.666 -0.070 18487 4570 1 9 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.726 -0.332 18487 4571 1 9 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.541 0.117 18487 4572 1 9 . 1 1 93 93 HIS H H 93 8.851 8.851 8.141 0.710 18487 4573 1 9 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.379 0.621 18487 4574 1 9 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.373 -0.373 18487 4575 1 9 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.976 0.024 18487 4576 1 9 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.539 0.158 18487 4577 1 9 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.949 0.078 18487 4578 1 9 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.964 -0.812 18487 4579 1 9 . 1 1 96 96 SER N N 96 113.047 113.047 115.721 -2.674 18487 4580 1 9 . 1 1 96 96 SER HA H 96 4.628 4.628 4.327 0.301 18487 4581 1 9 . 1 1 96 96 SER CA C 96 60.183 60.183 61.430 -1.247 18487 4582 1 9 . 1 1 96 96 SER CB C 96 63.901 63.901 63.026 0.875 18487 4583 1 9 . 1 1 96 96 SER H H 96 8.064 8.064 8.428 -0.364 18487 4584 1 9 . 1 1 97 97 ILE N N 97 116.621 116.621 121.106 -4.485 18487 4585 1 9 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.275 0.367 18487 4586 1 9 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.071 -0.293 18487 4587 1 9 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.049 4.378 18487 4588 1 9 . 1 1 97 97 ILE H H 97 7.705 7.705 7.427 0.278 18487 4589 1 9 . 1 1 98 98 LYS N N 98 120.198 120.198 121.758 -1.560 18487 4590 1 9 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.499 -0.242 18487 4591 1 9 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.135 0.578 18487 4592 1 9 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.093 -0.120 18487 4593 1 9 . 1 1 98 98 LYS H H 98 9.132 9.132 8.649 0.483 18487 4594 1 9 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.346 -0.062 18487 4595 1 9 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.697 0.637 18487 4596 1 9 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.116 -0.715 18487 4597 1 9 . 1 1 100 100 GLU N N 100 117.097 117.097 118.701 -1.604 18487 4598 1 9 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.090 0.062 18487 4599 1 9 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.489 -0.670 18487 4600 1 9 . 1 1 100 100 GLU CB C 100 29.416 29.416 29.254 0.162 18487 4601 1 9 . 1 1 100 100 GLU H H 100 7.447 7.447 7.612 -0.165 18487 4602 1 9 . 1 1 101 101 ILE N N 101 118.326 118.326 120.727 -2.401 18487 4603 1 9 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.571 -0.207 18487 4604 1 9 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.442 -2.082 18487 4605 1 9 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.584 -1.735 18487 4606 1 9 . 1 1 101 101 ILE H H 101 7.896 7.896 7.772 0.124 18487 4607 1 9 . 1 1 102 102 ILE N N 102 118.368 118.368 119.946 -1.578 18487 4608 1 9 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.568 -0.160 18487 4609 1 9 . 1 1 102 102 ILE CA C 102 66.246 66.246 66.152 0.094 18487 4610 1 9 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.538 -0.298 18487 4611 1 9 . 1 1 102 102 ILE H H 102 8.243 8.243 8.150 0.093 18487 4612 1 9 . 1 1 103 103 ASP N N 103 122.381 122.381 120.011 2.370 18487 4613 1 9 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.441 -0.063 18487 4614 1 9 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.186 0.796 18487 4615 1 9 . 1 1 103 103 ASP CB C 103 41.534 41.534 41.227 0.307 18487 4616 1 9 . 1 1 103 103 ASP H H 103 7.900 7.900 7.743 0.157 18487 4617 1 9 . 1 1 104 104 LEU N N 104 119.007 119.007 120.658 -1.651 18487 4618 1 9 . 1 1 104 104 LEU HA H 104 3.998 3.998 4.001 -0.003 18487 4619 1 9 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.822 -0.083 18487 4620 1 9 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.830 0.312 18487 4621 1 9 . 1 1 104 104 LEU H H 104 8.261 8.261 8.157 0.104 18487 4622 1 9 . 1 1 105 105 LEU N N 105 120.443 120.443 118.146 2.297 18487 4623 1 9 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.078 -0.091 18487 4624 1 9 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.962 -0.461 18487 4625 1 9 . 1 1 105 105 LEU CB C 105 42.087 42.087 40.919 1.168 18487 4626 1 9 . 1 1 105 105 LEU H H 105 9.022 9.022 8.412 0.611 18487 4627 1 9 . 1 1 106 106 THR N N 106 114.821 114.821 113.596 1.225 18487 4628 1 9 . 1 1 106 106 THR HA H 106 3.698 3.698 4.085 -0.387 18487 4629 1 9 . 1 1 106 106 THR CA C 106 67.610 67.610 66.723 0.887 18487 4630 1 9 . 1 1 106 106 THR CB C 106 68.325 68.325 68.516 -0.191 18487 4631 1 9 . 1 1 106 106 THR H H 106 8.273 8.273 7.331 0.942 18487 4632 1 9 . 1 1 107 107 LYS N N 107 120.049 120.049 121.318 -1.269 18487 4633 1 9 . 1 1 107 107 LYS HA H 107 3.907 3.907 4.151 -0.244 18487 4634 1 9 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.027 0.428 18487 4635 1 9 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.884 0.478 18487 4636 1 9 . 1 1 107 107 LYS H H 107 7.691 7.691 7.923 -0.232 18487 4637 1 9 . 1 1 108 108 GLN N N 108 118.375 118.375 118.757 -0.382 18487 4638 1 9 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.219 -0.201 18487 4639 1 9 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.508 -0.525 18487 4640 1 9 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.853 -1.198 18487 4641 1 9 . 1 1 108 108 GLN H H 108 7.888 7.888 7.833 0.055 18487 4642 1 9 . 1 1 109 109 LEU N N 109 118.066 118.066 118.121 -0.055 18487 4643 1 9 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.480 -0.298 18487 4644 1 9 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.236 0.231 18487 4645 1 9 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.404 0.406 18487 4646 1 9 . 1 1 109 109 LEU H H 109 8.269 8.269 7.767 0.502 18487 4647 1 9 . 1 1 110 110 ALA N N 110 120.909 120.909 121.516 -0.607 18487 4648 1 9 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.036 -0.004 18487 4649 1 9 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.613 -0.373 18487 4650 1 9 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.467 0.200 18487 4651 1 9 . 1 1 110 110 ALA H H 110 8.171 8.171 7.715 0.456 18487 4652 1 9 . 1 1 111 111 TYR N N 111 114.611 114.611 116.000 -1.389 18487 4653 1 9 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.583 0.059 18487 4654 1 9 . 1 1 111 111 TYR CA C 111 57.927 57.927 59.278 -1.351 18487 4655 1 9 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.850 -1.379 18487 4656 1 9 . 1 1 111 111 TYR H H 111 7.763 7.763 7.857 -0.094 18487 4657 1 9 . 1 1 112 112 GLY N N 112 107.916 107.916 103.674 4.242 18487 4658 1 9 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.263 0.945 18487 4659 1 9 . 1 1 112 112 GLY H H 112 7.941 7.941 7.778 0.163 18487 4660 1 9 . 1 1 113 113 GLU N N 113 119.571 119.571 118.176 1.395 18487 4661 1 9 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.228 0.162 18487 4662 1 9 . 1 1 113 113 GLU CA C 113 56.025 56.025 57.498 -1.472 18487 4663 1 9 . 1 1 113 113 GLU CB C 113 30.403 30.403 29.737 0.666 18487 4664 1 9 . 1 1 113 113 GLU H H 113 8.166 8.166 8.792 -0.626 18487 4665 1 9 . 1 1 114 114 ASP N N 114 121.457 121.457 121.403 0.054 18487 4666 1 9 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.566 0.059 18487 4667 1 9 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.950 0.126 18487 4668 1 9 . 1 1 114 114 ASP CB C 114 40.997 40.997 40.537 0.460 18487 4669 1 9 . 1 1 114 114 ASP H H 114 8.560 8.560 8.059 0.501 18487 4670 1 9 . 1 1 115 115 VAL N N 115 120.645 120.645 122.895 -2.250 18487 4671 1 9 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.969 0.110 18487 4672 1 9 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.825 -0.307 18487 4673 1 9 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.739 -0.906 18487 4674 1 9 . 1 1 115 115 VAL H H 115 8.659 8.659 8.187 0.472 18487 4675 1 9 . 1 1 116 116 ILE N N 116 120.775 120.775 119.020 1.755 18487 4676 1 9 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.709 -0.046 18487 4677 1 9 . 1 1 116 116 ILE CA C 116 59.736 59.736 58.743 0.993 18487 4678 1 9 . 1 1 116 116 ILE CB C 116 39.798 39.798 35.293 4.505 18487 4679 1 9 . 1 1 116 116 ILE H H 116 7.881 7.881 8.107 -0.226 18487 4680 1 9 . 1 1 117 117 SER N N 117 121.192 121.192 118.223 2.969 18487 4681 1 9 . 1 1 117 117 SER HA H 117 4.641 4.641 4.291 0.350 18487 4682 1 9 . 1 1 117 117 SER CA C 117 57.846 57.846 59.576 -1.730 18487 4683 1 9 . 1 1 117 117 SER CB C 117 63.962 63.962 63.602 0.360 18487 4684 1 9 . 1 1 117 117 SER H H 117 8.767 8.767 7.908 0.859 18487 4685 1 9 . 1 1 118 118 LYS N N 118 124.317 124.317 117.997 6.320 18487 4686 1 9 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.404 -0.048 18487 4687 1 9 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.046 0.491 18487 4688 1 9 . 1 1 118 118 LYS CB C 118 33.050 33.050 33.770 -0.720 18487 4689 1 9 . 1 1 118 118 LYS H H 118 8.633 8.633 8.286 0.347 18487 4690 1 10 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.716 -0.036 18487 4691 1 10 . 1 1 11 11 MET N N 11 120.918 120.918 123.846 -2.928 18487 4692 1 10 . 1 1 11 11 MET HA H 11 4.435 4.435 4.425 0.010 18487 4693 1 10 . 1 1 11 11 MET CA C 11 55.736 55.736 54.284 1.452 18487 4694 1 10 . 1 1 11 11 MET CB C 11 32.501 32.501 30.161 2.340 18487 4695 1 10 . 1 1 11 11 MET H H 11 8.289 8.289 8.454 -0.165 18487 4696 1 10 . 1 1 12 12 ASN N N 12 120.356 120.356 122.042 -1.686 18487 4697 1 10 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.909 -0.151 18487 4698 1 10 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.929 0.559 18487 4699 1 10 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.694 -0.118 18487 4700 1 10 . 1 1 12 12 ASN H H 12 8.583 8.583 8.002 0.581 18487 4701 1 10 . 1 1 13 13 SER N N 13 116.582 116.582 117.464 -0.882 18487 4702 1 10 . 1 1 13 13 SER HA H 13 4.378 4.378 4.436 -0.058 18487 4703 1 10 . 1 1 13 13 SER CA C 13 58.842 58.842 58.228 0.614 18487 4704 1 10 . 1 1 13 13 SER CB C 13 63.403 63.403 64.696 -1.293 18487 4705 1 10 . 1 1 13 13 SER H H 13 8.319 8.319 8.412 -0.093 18487 4706 1 10 . 1 1 14 14 GLN N N 14 121.369 121.369 123.213 -1.844 18487 4707 1 10 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.649 -0.331 18487 4708 1 10 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.813 0.286 18487 4709 1 10 . 1 1 14 14 GLN CB C 14 28.944 28.944 30.636 -1.692 18487 4710 1 10 . 1 1 14 14 GLN H H 14 8.365 8.365 8.414 -0.049 18487 4711 1 10 . 1 1 15 15 ARG N N 15 121.565 121.565 124.497 -2.932 18487 4712 1 10 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.803 -0.489 18487 4713 1 10 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.689 0.199 18487 4714 1 10 . 1 1 15 15 ARG CB C 15 30.427 30.427 31.062 -0.635 18487 4715 1 10 . 1 1 15 15 ARG H H 15 8.084 8.084 8.725 -0.641 18487 4716 1 10 . 1 1 16 16 LEU N N 16 123.810 123.810 118.003 5.807 18487 4717 1 10 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.767 -0.424 18487 4718 1 10 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.586 1.054 18487 4719 1 10 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.207 -2.145 18487 4720 1 10 . 1 1 16 16 LEU H H 16 8.254 8.254 8.176 0.078 18487 4721 1 10 . 1 1 17 17 ILE N N 17 122.996 122.996 123.075 -0.079 18487 4722 1 10 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.227 -0.073 18487 4723 1 10 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.656 -0.441 18487 4724 1 10 . 1 1 17 17 ILE CB C 17 38.784 38.784 36.322 2.462 18487 4725 1 10 . 1 1 17 17 ILE H H 17 8.006 8.006 8.538 -0.532 18487 4726 1 10 . 1 1 18 18 HIS N N 18 126.123 126.123 127.788 -1.665 18487 4727 1 10 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.494 0.351 18487 4728 1 10 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.723 -1.518 18487 4729 1 10 . 1 1 18 18 HIS CB C 18 30.197 30.197 31.050 -0.853 18487 4730 1 10 . 1 1 18 18 HIS H H 18 9.025 9.025 8.436 0.589 18487 4731 1 10 . 1 1 19 19 ILE N N 19 124.783 124.783 124.329 0.454 18487 4732 1 10 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.178 0.812 18487 4733 1 10 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.478 -0.970 18487 4734 1 10 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.884 -0.534 18487 4735 1 10 . 1 1 19 19 ILE H H 19 8.485 8.485 7.976 0.509 18487 4736 1 10 . 1 1 20 20 LYS N N 20 128.184 128.184 128.790 -0.606 18487 4737 1 10 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.544 0.215 18487 4738 1 10 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.338 -1.209 18487 4739 1 10 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.450 1.191 18487 4740 1 10 . 1 1 20 20 LYS H H 20 9.253 9.253 8.690 0.563 18487 4741 1 10 . 1 1 21 21 THR N N 21 114.649 114.649 117.788 -3.139 18487 4742 1 10 . 1 1 21 21 THR HA H 21 4.930 4.930 4.657 0.273 18487 4743 1 10 . 1 1 21 21 THR CA C 21 60.191 60.191 61.712 -1.521 18487 4744 1 10 . 1 1 21 21 THR CB C 21 69.966 69.966 70.503 -0.537 18487 4745 1 10 . 1 1 21 21 THR H H 21 8.232 8.232 8.217 0.015 18487 4746 1 10 . 1 1 22 22 LEU N N 22 125.973 125.973 128.090 -2.117 18487 4747 1 10 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.692 -0.013 18487 4748 1 10 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.347 0.406 18487 4749 1 10 . 1 1 22 22 LEU CB C 22 45.134 45.134 44.500 0.634 18487 4750 1 10 . 1 1 22 22 LEU H H 22 9.156 9.156 8.652 0.504 18487 4751 1 10 . 1 1 23 23 THR N N 23 112.582 112.582 112.489 0.093 18487 4752 1 10 . 1 1 23 23 THR HA H 23 4.281 4.281 4.241 0.040 18487 4753 1 10 . 1 1 23 23 THR CA C 23 61.474 61.474 62.177 -0.703 18487 4754 1 10 . 1 1 23 23 THR CB C 23 69.759 69.759 69.360 0.399 18487 4755 1 10 . 1 1 23 23 THR H H 23 7.912 7.912 8.256 -0.344 18487 4756 1 10 . 1 1 24 24 THR N N 24 112.952 112.952 113.422 -0.470 18487 4757 1 10 . 1 1 24 24 THR HA H 24 5.040 5.040 4.650 0.390 18487 4758 1 10 . 1 1 24 24 THR CA C 24 60.000 60.000 58.214 1.786 18487 4759 1 10 . 1 1 24 24 THR CB C 24 69.872 69.872 70.549 -0.677 18487 4760 1 10 . 1 1 24 24 THR H H 24 8.793 8.793 7.851 0.942 18487 4761 1 10 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.333 0.112 18487 4762 1 10 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.633 0.689 18487 4763 1 10 . 1 1 25 25 PRO CB C 25 31.580 31.580 32.072 -0.492 18487 4764 1 10 . 1 1 26 26 ASN N N 26 115.534 115.534 118.668 -3.134 18487 4765 1 10 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.852 0.083 18487 4766 1 10 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.084 -1.047 18487 4767 1 10 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.084 -0.362 18487 4768 1 10 . 1 1 26 26 ASN H H 26 7.774 7.774 8.102 -0.328 18487 4769 1 10 . 1 1 27 27 GLU N N 27 127.099 127.099 126.267 0.832 18487 4770 1 10 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.070 0.340 18487 4771 1 10 . 1 1 27 27 GLU CA C 27 58.958 58.958 59.575 -0.617 18487 4772 1 10 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.509 -0.404 18487 4773 1 10 . 1 1 27 27 GLU H H 27 9.428 9.428 9.016 0.412 18487 4774 1 10 . 1 1 28 28 ASN N N 28 115.176 115.176 116.416 -1.240 18487 4775 1 10 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.670 0.316 18487 4776 1 10 . 1 1 28 28 ASN CA C 28 53.784 53.784 54.580 -0.795 18487 4777 1 10 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.261 0.284 18487 4778 1 10 . 1 1 28 28 ASN H H 28 8.591 8.591 8.592 -0.001 18487 4779 1 10 . 1 1 29 29 ALA N N 29 123.317 123.317 121.162 2.155 18487 4780 1 10 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.676 0.700 18487 4781 1 10 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.445 0.865 18487 4782 1 10 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.599 0.559 18487 4783 1 10 . 1 1 29 29 ALA H H 29 8.210 8.210 7.264 0.946 18487 4784 1 10 . 1 1 30 30 LEU N N 30 124.426 124.426 122.374 2.052 18487 4785 1 10 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.354 0.154 18487 4786 1 10 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.909 -1.249 18487 4787 1 10 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.923 0.628 18487 4788 1 10 . 1 1 30 30 LEU H H 30 8.550 8.550 8.018 0.532 18487 4789 1 10 . 1 1 31 31 LYS N N 31 123.555 123.555 124.764 -1.209 18487 4790 1 10 . 1 1 31 31 LYS HA H 31 5.139 5.139 5.053 0.086 18487 4791 1 10 . 1 1 31 31 LYS CA C 31 55.083 55.083 54.575 0.508 18487 4792 1 10 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.504 1.667 18487 4793 1 10 . 1 1 31 31 LYS H H 31 8.169 8.169 7.923 0.246 18487 4794 1 10 . 1 1 32 32 PHE N N 32 124.529 124.529 122.676 1.853 18487 4795 1 10 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.813 0.162 18487 4796 1 10 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.168 -0.694 18487 4797 1 10 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.270 -0.194 18487 4798 1 10 . 1 1 32 32 PHE H H 32 9.634 9.634 8.845 0.789 18487 4799 1 10 . 1 1 33 33 LEU N N 33 122.712 122.712 126.929 -4.217 18487 4800 1 10 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.921 0.143 18487 4801 1 10 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.658 0.729 18487 4802 1 10 . 1 1 33 33 LEU CB C 33 45.826 45.826 44.420 1.406 18487 4803 1 10 . 1 1 33 33 LEU H H 33 9.174 9.174 8.606 0.568 18487 4804 1 10 . 1 1 34 34 SER N N 34 117.120 117.120 123.789 -6.669 18487 4805 1 10 . 1 1 34 34 SER HA H 34 5.116 5.116 4.796 0.320 18487 4806 1 10 . 1 1 34 34 SER CA C 34 56.626 56.626 58.812 -2.186 18487 4807 1 10 . 1 1 34 34 SER CB C 34 64.053 64.053 63.421 0.632 18487 4808 1 10 . 1 1 34 34 SER H H 34 8.979 8.979 8.786 0.193 18487 4809 1 10 . 1 1 35 35 THR N N 35 117.097 117.097 117.689 -0.592 18487 4810 1 10 . 1 1 35 35 THR HA H 35 4.460 4.460 4.545 -0.085 18487 4811 1 10 . 1 1 35 35 THR CA C 35 62.944 62.944 61.673 1.271 18487 4812 1 10 . 1 1 35 35 THR CB C 35 69.779 69.779 69.590 0.189 18487 4813 1 10 . 1 1 35 35 THR H H 35 8.646 8.646 8.480 0.166 18487 4814 1 10 . 1 1 36 36 ASP N N 36 120.039 120.039 119.386 0.653 18487 4815 1 10 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.821 0.034 18487 4816 1 10 . 1 1 36 36 ASP CA C 36 54.741 54.741 53.988 0.753 18487 4817 1 10 . 1 1 36 36 ASP CB C 36 41.519 41.519 43.236 -1.718 18487 4818 1 10 . 1 1 36 36 ASP H H 36 8.711 8.711 7.825 0.886 18487 4819 1 10 . 1 1 37 37 GLY N N 37 107.015 107.015 113.041 -6.026 18487 4820 1 10 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.415 0.214 18487 4821 1 10 . 1 1 37 37 GLY H H 37 8.020 8.020 8.605 -0.585 18487 4822 1 10 . 1 1 38 38 GLU N N 38 120.021 120.021 121.441 -1.420 18487 4823 1 10 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.721 -0.443 18487 4824 1 10 . 1 1 38 38 GLU CA C 38 57.143 57.143 54.795 2.348 18487 4825 1 10 . 1 1 38 38 GLU CB C 38 29.317 29.317 33.048 -3.731 18487 4826 1 10 . 1 1 38 38 GLU H H 38 8.101 8.101 8.052 0.049 18487 4827 1 10 . 1 1 39 39 MET N N 39 121.372 121.372 115.815 5.557 18487 4828 1 10 . 1 1 39 39 MET HA H 39 4.799 4.799 4.822 -0.023 18487 4829 1 10 . 1 1 39 39 MET CA C 39 54.229 54.229 54.474 -0.245 18487 4830 1 10 . 1 1 39 39 MET CB C 39 33.392 33.392 34.555 -1.163 18487 4831 1 10 . 1 1 39 39 MET H H 39 8.571 8.571 8.208 0.363 18487 4832 1 10 . 1 1 40 40 LEU N N 40 121.913 121.913 119.587 2.326 18487 4833 1 10 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.241 0.018 18487 4834 1 10 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.327 0.817 18487 4835 1 10 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.498 -0.072 18487 4836 1 10 . 1 1 40 40 LEU H H 40 8.572 8.572 8.362 0.210 18487 4837 1 10 . 1 1 41 41 GLN N N 41 114.647 114.647 116.148 -1.501 18487 4838 1 10 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.508 0.160 18487 4839 1 10 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.639 -0.242 18487 4840 1 10 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.193 3.097 18487 4841 1 10 . 1 1 41 41 GLN H H 41 8.420 8.420 7.640 0.780 18487 4842 1 10 . 1 1 42 42 THR N N 42 111.706 111.706 121.310 -9.604 18487 4843 1 10 . 1 1 42 42 THR HA H 42 4.038 4.038 4.084 -0.046 18487 4844 1 10 . 1 1 42 42 THR CA C 42 63.082 63.082 63.664 -0.582 18487 4845 1 10 . 1 1 42 42 THR CB C 42 69.264 69.264 68.636 0.628 18487 4846 1 10 . 1 1 42 42 THR H H 42 8.205 8.205 8.563 -0.358 18487 4847 1 10 . 1 1 43 43 ARG N N 43 126.367 126.367 129.259 -2.892 18487 4848 1 10 . 1 1 43 43 ARG HA H 43 4.149 4.149 3.987 0.162 18487 4849 1 10 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.791 -0.358 18487 4850 1 10 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.694 -0.767 18487 4851 1 10 . 1 1 43 43 ARG H H 43 8.885 8.885 8.127 0.758 18487 4852 1 10 . 1 1 44 44 GLY N N 44 116.299 116.299 113.351 2.948 18487 4853 1 10 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.973 -0.097 18487 4854 1 10 . 1 1 44 44 GLY H H 44 9.999 9.999 8.481 1.518 18487 4855 1 10 . 1 1 45 45 SER N N 45 117.374 117.374 116.823 0.551 18487 4856 1 10 . 1 1 45 45 SER HA H 45 4.316 4.316 4.749 -0.433 18487 4857 1 10 . 1 1 45 45 SER CA C 45 59.967 59.967 57.371 2.596 18487 4858 1 10 . 1 1 45 45 SER CB C 45 63.866 63.866 64.510 -0.644 18487 4859 1 10 . 1 1 45 45 SER H H 45 8.034 8.034 8.095 -0.061 18487 4860 1 10 . 1 1 46 46 LYS N N 46 124.024 124.024 120.883 3.141 18487 4861 1 10 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.501 -0.244 18487 4862 1 10 . 1 1 46 46 LYS CA C 46 56.302 56.302 54.895 1.407 18487 4863 1 10 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.054 -0.378 18487 4864 1 10 . 1 1 46 46 LYS H H 46 8.560 8.560 8.295 0.265 18487 4865 1 10 . 1 1 47 47 SER N N 47 119.851 119.851 114.772 5.079 18487 4866 1 10 . 1 1 47 47 SER HA H 47 4.824 4.824 4.801 0.023 18487 4867 1 10 . 1 1 47 47 SER CA C 47 57.920 57.920 57.587 0.333 18487 4868 1 10 . 1 1 47 47 SER CB C 47 63.770 63.770 63.916 -0.146 18487 4869 1 10 . 1 1 47 47 SER H H 47 8.663 8.663 8.190 0.473 18487 4870 1 10 . 1 1 48 48 ILE N N 48 124.054 124.054 127.861 -3.807 18487 4871 1 10 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.161 0.196 18487 4872 1 10 . 1 1 48 48 ILE CA C 48 60.112 60.112 60.554 -0.442 18487 4873 1 10 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.882 2.216 18487 4874 1 10 . 1 1 48 48 ILE H H 48 8.619 8.619 8.630 -0.011 18487 4875 1 10 . 1 1 49 49 VAL N N 49 128.260 128.260 128.834 -0.574 18487 4876 1 10 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.632 0.100 18487 4877 1 10 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.329 -0.317 18487 4878 1 10 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.924 0.687 18487 4879 1 10 . 1 1 49 49 VAL H H 49 8.498 8.498 8.640 -0.142 18487 4880 1 10 . 1 1 50 50 ILE N N 50 127.715 127.715 130.719 -3.004 18487 4881 1 10 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.366 0.137 18487 4882 1 10 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.379 1.111 18487 4883 1 10 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.096 2.366 18487 4884 1 10 . 1 1 50 50 ILE H H 50 9.236 9.236 9.032 0.204 18487 4885 1 10 . 1 1 51 51 LYS N N 51 127.422 127.422 127.712 -0.290 18487 4886 1 10 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.806 -0.146 18487 4887 1 10 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.811 -0.261 18487 4888 1 10 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.895 0.048 18487 4889 1 10 . 1 1 51 51 LYS H H 51 9.673 9.673 8.707 0.966 18487 4890 1 10 . 1 1 52 52 ASN N N 52 117.981 117.981 120.812 -2.831 18487 4891 1 10 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.997 -1.249 18487 4892 1 10 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.086 0.081 18487 4893 1 10 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.818 -1.435 18487 4894 1 10 . 1 1 52 52 ASN H H 52 8.119 8.119 8.992 -0.873 18487 4895 1 10 . 1 1 53 53 THR N N 53 105.425 105.425 112.476 -7.051 18487 4896 1 10 . 1 1 53 53 THR HA H 53 4.218 4.218 4.277 -0.059 18487 4897 1 10 . 1 1 53 53 THR CA C 53 60.619 60.619 62.597 -1.978 18487 4898 1 10 . 1 1 53 53 THR CB C 53 69.221 69.221 69.304 -0.083 18487 4899 1 10 . 1 1 53 53 THR H H 53 6.908 6.908 8.106 -1.198 18487 4900 1 10 . 1 1 54 54 ASP N N 54 125.547 125.547 124.440 1.107 18487 4901 1 10 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.921 0.045 18487 4902 1 10 . 1 1 54 54 ASP CA C 54 53.513 53.513 53.477 0.035 18487 4903 1 10 . 1 1 54 54 ASP CB C 54 39.956 39.956 41.615 -1.659 18487 4904 1 10 . 1 1 54 54 ASP H H 54 7.811 7.811 7.470 0.341 18487 4905 1 10 . 1 1 55 55 GLU N N 55 123.946 123.946 124.205 -0.259 18487 4906 1 10 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.845 -0.022 18487 4907 1 10 . 1 1 55 55 GLU CA C 55 60.124 60.124 60.175 -0.051 18487 4908 1 10 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.129 0.803 18487 4909 1 10 . 1 1 55 55 GLU H H 55 7.919 7.919 8.517 -0.598 18487 4910 1 10 . 1 1 56 56 ASN N N 56 115.295 115.295 118.727 -3.432 18487 4911 1 10 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.498 0.056 18487 4912 1 10 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.994 0.114 18487 4913 1 10 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.277 -0.010 18487 4914 1 10 . 1 1 56 56 ASN H H 56 8.728 8.728 8.354 0.374 18487 4915 1 10 . 1 1 57 57 LEU N N 57 120.223 120.223 119.065 1.158 18487 4916 1 10 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.025 0.210 18487 4917 1 10 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.280 0.309 18487 4918 1 10 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.854 1.058 18487 4919 1 10 . 1 1 57 57 LEU H H 57 7.621 7.621 7.433 0.188 18487 4920 1 10 . 1 1 58 58 ILE N N 58 120.489 120.489 119.332 1.157 18487 4921 1 10 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.786 -0.250 18487 4922 1 10 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.870 1.470 18487 4923 1 10 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.940 0.453 18487 4924 1 10 . 1 1 58 58 ILE H H 58 8.461 8.461 7.470 0.991 18487 4925 1 10 . 1 1 59 59 ASN N N 59 114.873 114.873 115.088 -0.215 18487 4926 1 10 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.480 -0.002 18487 4927 1 10 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.063 -0.108 18487 4928 1 10 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.215 -0.180 18487 4929 1 10 . 1 1 59 59 ASN H H 59 7.958 7.958 8.201 -0.243 18487 4930 1 10 . 1 1 60 60 HIS N N 60 115.059 115.059 119.078 -4.019 18487 4931 1 10 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.452 0.316 18487 4932 1 10 . 1 1 60 60 HIS CA C 60 56.337 56.337 58.398 -2.061 18487 4933 1 10 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.954 -1.138 18487 4934 1 10 . 1 1 60 60 HIS H H 60 7.633 7.633 7.629 0.004 18487 4935 1 10 . 1 1 61 61 SER N N 61 115.447 115.447 116.598 -1.151 18487 4936 1 10 . 1 1 61 61 SER HA H 61 5.135 5.135 4.650 0.485 18487 4937 1 10 . 1 1 61 61 SER CA C 61 56.072 56.072 57.893 -1.821 18487 4938 1 10 . 1 1 61 61 SER CB C 61 63.806 63.806 63.902 -0.096 18487 4939 1 10 . 1 1 61 61 SER H H 61 7.849 7.849 7.752 0.097 18487 4940 1 10 . 1 1 62 62 LYS N N 62 132.090 132.090 127.814 4.276 18487 4941 1 10 . 1 1 62 62 LYS HA H 62 4.044 4.044 3.987 0.057 18487 4942 1 10 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.782 -0.237 18487 4943 1 10 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.310 -0.771 18487 4944 1 10 . 1 1 62 62 LYS H H 62 9.021 9.021 8.749 0.272 18487 4945 1 10 . 1 1 63 63 LEU N N 63 118.793 118.793 119.744 -0.951 18487 4946 1 10 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.930 0.196 18487 4947 1 10 . 1 1 63 63 LEU CA C 63 57.650 57.650 58.295 -0.645 18487 4948 1 10 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.535 0.243 18487 4949 1 10 . 1 1 63 63 LEU H H 63 8.567 8.567 8.317 0.250 18487 4950 1 10 . 1 1 64 64 ALA N N 64 118.752 118.752 119.937 -1.185 18487 4951 1 10 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.722 -0.102 18487 4952 1 10 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.161 -0.104 18487 4953 1 10 . 1 1 64 64 ALA CB C 64 18.585 18.585 17.962 0.623 18487 4954 1 10 . 1 1 64 64 ALA H H 64 7.645 7.645 8.141 -0.496 18487 4955 1 10 . 1 1 65 65 GLN N N 65 115.176 115.176 117.666 -2.490 18487 4956 1 10 . 1 1 65 65 GLN HA H 65 3.946 3.946 4.107 -0.161 18487 4957 1 10 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.087 0.170 18487 4958 1 10 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.551 0.049 18487 4959 1 10 . 1 1 65 65 GLN H H 65 8.539 8.539 7.847 0.692 18487 4960 1 10 . 1 1 66 66 GLN N N 66 115.801 115.801 118.392 -2.591 18487 4961 1 10 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.108 -0.042 18487 4962 1 10 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.179 0.381 18487 4963 1 10 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.384 1.113 18487 4964 1 10 . 1 1 66 66 GLN H H 66 8.125 8.125 7.852 0.273 18487 4965 1 10 . 1 1 67 67 ILE N N 67 119.874 119.874 120.449 -0.575 18487 4966 1 10 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.540 -0.203 18487 4967 1 10 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.434 0.609 18487 4968 1 10 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.548 -0.630 18487 4969 1 10 . 1 1 67 67 ILE H H 67 8.281 8.281 7.817 0.464 18487 4970 1 10 . 1 1 68 68 PHE N N 68 114.873 114.873 117.112 -2.239 18487 4971 1 10 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.530 -0.035 18487 4972 1 10 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.522 0.169 18487 4973 1 10 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.388 -0.740 18487 4974 1 10 . 1 1 68 68 PHE H H 68 8.255 8.255 7.835 0.420 18487 4975 1 10 . 1 1 69 69 LEU N N 69 117.763 117.763 119.723 -1.960 18487 4976 1 10 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.143 0.152 18487 4977 1 10 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.533 -0.197 18487 4978 1 10 . 1 1 69 69 LEU CB C 69 43.128 43.128 41.976 1.152 18487 4979 1 10 . 1 1 69 69 LEU H H 69 7.747 7.747 7.722 0.025 18487 4980 1 10 . 1 1 70 70 GLN N N 70 115.040 115.040 117.978 -2.938 18487 4981 1 10 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.236 0.076 18487 4982 1 10 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.592 -0.362 18487 4983 1 10 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.618 0.404 18487 4984 1 10 . 1 1 70 70 GLN H H 70 8.308 8.308 8.421 -0.113 18487 4985 1 10 . 1 1 71 71 CYS N N 71 115.881 115.881 117.616 -1.735 18487 4986 1 10 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.862 0.096 18487 4987 1 10 . 1 1 71 71 CYS CA C 71 55.401 55.401 56.901 -1.500 18487 4988 1 10 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.341 -0.606 18487 4989 1 10 . 1 1 71 71 CYS H H 71 8.242 8.242 7.874 0.368 18487 4990 1 10 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.601 -0.038 18487 4991 1 10 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.630 0.380 18487 4992 1 10 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.039 -0.628 18487 4993 1 10 . 1 1 73 73 GLY N N 73 106.975 106.975 106.239 0.736 18487 4994 1 10 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.564 0.714 18487 4995 1 10 . 1 1 73 73 GLY H H 73 8.657 8.657 8.367 0.289 18487 4996 1 10 . 1 1 74 74 VAL N N 74 119.448 119.448 120.212 -0.764 18487 4997 1 10 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.853 0.127 18487 4998 1 10 . 1 1 74 74 VAL CA C 74 63.801 63.801 64.238 -0.437 18487 4999 1 10 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.674 -0.174 18487 5000 1 10 . 1 1 74 74 VAL H H 74 7.747 7.747 7.285 0.462 18487 5001 1 10 . 1 1 75 75 GLU N N 75 129.063 129.063 126.871 2.192 18487 5002 1 10 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.313 0.154 18487 5003 1 10 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.465 -0.435 18487 5004 1 10 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.094 0.518 18487 5005 1 10 . 1 1 75 75 GLU H H 75 8.994 8.994 8.662 0.332 18487 5006 1 10 . 1 1 76 76 SER N N 76 110.068 110.068 110.709 -0.641 18487 5007 1 10 . 1 1 76 76 SER HA H 76 5.283 5.283 5.432 -0.149 18487 5008 1 10 . 1 1 76 76 SER CA C 76 57.395 57.395 57.497 -0.102 18487 5009 1 10 . 1 1 76 76 SER CB C 76 65.281 65.281 66.744 -1.463 18487 5010 1 10 . 1 1 76 76 SER H H 76 8.306 8.306 8.431 -0.125 18487 5011 1 10 . 1 1 77 77 LEU N N 77 117.334 117.334 120.620 -3.286 18487 5012 1 10 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.786 0.615 18487 5013 1 10 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.156 -0.574 18487 5014 1 10 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.741 0.432 18487 5015 1 10 . 1 1 77 77 LEU H H 77 9.250 9.250 8.948 0.302 18487 5016 1 10 . 1 1 78 78 MET N N 78 121.119 121.119 124.973 -3.854 18487 5017 1 10 . 1 1 78 78 MET HA H 78 5.367 5.367 4.970 0.397 18487 5018 1 10 . 1 1 78 78 MET CA C 78 53.966 53.966 54.155 -0.189 18487 5019 1 10 . 1 1 78 78 MET CB C 78 36.374 36.374 33.933 2.441 18487 5020 1 10 . 1 1 78 78 MET H H 78 9.333 9.333 8.930 0.403 18487 5021 1 10 . 1 1 79 79 ILE N N 79 127.512 127.512 127.299 0.213 18487 5022 1 10 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.216 -0.224 18487 5023 1 10 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.352 2.273 18487 5024 1 10 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.702 2.685 18487 5025 1 10 . 1 1 79 79 ILE H H 79 9.396 9.396 8.738 0.658 18487 5026 1 10 . 1 1 80 80 GLY N N 80 117.437 117.437 113.867 3.570 18487 5027 1 10 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.218 0.392 18487 5028 1 10 . 1 1 80 80 GLY H H 80 7.916 7.916 7.513 0.403 18487 5029 1 10 . 1 1 81 81 ASP N N 81 118.860 118.860 118.835 0.025 18487 5030 1 10 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.377 0.296 18487 5031 1 10 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.460 -3.426 18487 5032 1 10 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.663 -1.989 18487 5033 1 10 . 1 1 81 81 ASP H H 81 7.983 7.983 8.581 -0.598 18487 5034 1 10 . 1 1 82 82 ASP N N 82 118.682 118.682 115.322 3.360 18487 5035 1 10 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.687 0.132 18487 5036 1 10 . 1 1 82 82 ASP CA C 82 52.138 52.138 54.785 -2.647 18487 5037 1 10 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.751 -0.757 18487 5038 1 10 . 1 1 82 82 ASP H H 82 9.164 9.164 8.668 0.496 18487 5039 1 10 . 1 1 83 83 PHE N N 83 110.898 110.898 113.630 -2.732 18487 5040 1 10 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.745 0.105 18487 5041 1 10 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.041 -0.076 18487 5042 1 10 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.176 0.570 18487 5043 1 10 . 1 1 83 83 PHE H H 83 6.887 6.887 7.277 -0.390 18487 5044 1 10 . 1 1 84 84 LEU N N 84 121.119 121.119 121.463 -0.344 18487 5045 1 10 . 1 1 84 84 LEU HA H 84 5.233 5.233 4.913 0.320 18487 5046 1 10 . 1 1 84 84 LEU CA C 84 52.966 52.966 54.422 -1.456 18487 5047 1 10 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.093 2.315 18487 5048 1 10 . 1 1 84 84 LEU H H 84 9.118 9.118 8.554 0.564 18487 5049 1 10 . 1 1 85 85 THR N N 85 125.430 125.430 125.870 -0.440 18487 5050 1 10 . 1 1 85 85 THR HA H 85 5.639 5.639 4.888 0.751 18487 5051 1 10 . 1 1 85 85 THR CA C 85 61.743 61.743 62.413 -0.671 18487 5052 1 10 . 1 1 85 85 THR CB C 85 69.835 69.835 69.019 0.815 18487 5053 1 10 . 1 1 85 85 THR H H 85 9.780 9.780 8.903 0.877 18487 5054 1 10 . 1 1 86 86 ILE N N 86 126.778 126.778 128.900 -2.122 18487 5055 1 10 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.294 0.417 18487 5056 1 10 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.912 -2.207 18487 5057 1 10 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.399 1.945 18487 5058 1 10 . 1 1 86 86 ILE H H 86 9.151 9.151 8.706 0.445 18487 5059 1 10 . 1 1 87 87 ASN N N 87 124.785 124.785 127.310 -2.525 18487 5060 1 10 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.684 0.342 18487 5061 1 10 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.361 -0.329 18487 5062 1 10 . 1 1 87 87 ASN CB C 87 39.679 39.679 40.499 -0.820 18487 5063 1 10 . 1 1 87 87 ASN H H 87 8.680 8.680 8.815 -0.135 18487 5064 1 10 . 1 1 88 88 LYS N N 88 122.617 122.617 122.976 -0.359 18487 5065 1 10 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.708 0.531 18487 5066 1 10 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.764 -0.250 18487 5067 1 10 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.703 1.552 18487 5068 1 10 . 1 1 88 88 LYS H H 88 9.361 9.361 8.490 0.871 18487 5069 1 10 . 1 1 89 89 ASP N N 89 121.211 121.211 120.522 0.689 18487 5070 1 10 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.793 -0.332 18487 5071 1 10 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.791 0.104 18487 5072 1 10 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.128 -0.384 18487 5073 1 10 . 1 1 89 89 ASP H H 89 8.454 8.454 8.250 0.204 18487 5074 1 10 . 1 1 90 90 ARG N N 90 124.551 124.551 124.724 -0.173 18487 5075 1 10 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.036 0.038 18487 5076 1 10 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.053 0.056 18487 5077 1 10 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.628 0.267 18487 5078 1 10 . 1 1 90 90 ARG H H 90 8.475 8.475 8.562 -0.087 18487 5079 1 10 . 1 1 91 91 MET N N 91 115.821 115.821 116.292 -0.471 18487 5080 1 10 . 1 1 91 91 MET HA H 91 4.424 4.424 4.166 0.258 18487 5081 1 10 . 1 1 91 91 MET CA C 91 55.206 55.206 57.225 -2.019 18487 5082 1 10 . 1 1 91 91 MET CB C 91 31.307 31.307 33.346 -2.039 18487 5083 1 10 . 1 1 91 91 MET H H 91 8.725 8.725 7.782 0.943 18487 5084 1 10 . 1 1 92 92 VAL N N 92 119.922 119.922 117.053 2.869 18487 5085 1 10 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.915 0.191 18487 5086 1 10 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.466 -0.408 18487 5087 1 10 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.943 0.201 18487 5088 1 10 . 1 1 92 92 VAL H H 92 7.348 7.348 7.090 0.258 18487 5089 1 10 . 1 1 93 93 HIS N N 93 125.619 125.619 122.629 2.990 18487 5090 1 10 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.709 -0.113 18487 5091 1 10 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.273 0.121 18487 5092 1 10 . 1 1 93 93 HIS CB C 93 31.658 31.658 33.196 -1.538 18487 5093 1 10 . 1 1 93 93 HIS H H 93 8.851 8.851 8.263 0.588 18487 5094 1 10 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.460 0.540 18487 5095 1 10 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.598 -0.598 18487 5096 1 10 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.530 0.470 18487 5097 1 10 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.521 0.176 18487 5098 1 10 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.512 0.515 18487 5099 1 10 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.729 -0.578 18487 5100 1 10 . 1 1 96 96 SER N N 96 113.047 113.047 114.457 -1.410 18487 5101 1 10 . 1 1 96 96 SER HA H 96 4.628 4.628 4.480 0.148 18487 5102 1 10 . 1 1 96 96 SER CA C 96 60.183 60.183 60.867 -0.684 18487 5103 1 10 . 1 1 96 96 SER CB C 96 63.901 63.901 64.404 -0.503 18487 5104 1 10 . 1 1 96 96 SER H H 96 8.064 8.064 7.701 0.363 18487 5105 1 10 . 1 1 97 97 ILE N N 97 116.621 116.621 121.424 -4.803 18487 5106 1 10 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.074 0.568 18487 5107 1 10 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.375 -0.597 18487 5108 1 10 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.476 3.951 18487 5109 1 10 . 1 1 97 97 ILE H H 97 7.705 7.705 7.306 0.399 18487 5110 1 10 . 1 1 98 98 LYS N N 98 120.198 120.198 121.451 -1.253 18487 5111 1 10 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.364 -0.107 18487 5112 1 10 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.086 0.627 18487 5113 1 10 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.948 0.025 18487 5114 1 10 . 1 1 98 98 LYS H H 98 9.132 9.132 8.387 0.745 18487 5115 1 10 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.325 -0.041 18487 5116 1 10 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.000 0.334 18487 5117 1 10 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.996 -0.595 18487 5118 1 10 . 1 1 100 100 GLU N N 100 117.097 117.097 119.000 -1.903 18487 5119 1 10 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.104 0.048 18487 5120 1 10 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.893 -0.074 18487 5121 1 10 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.838 0.578 18487 5122 1 10 . 1 1 100 100 GLU H H 100 7.447 7.447 7.740 -0.293 18487 5123 1 10 . 1 1 101 101 ILE N N 101 118.326 118.326 120.586 -2.260 18487 5124 1 10 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.453 -0.089 18487 5125 1 10 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.482 -2.121 18487 5126 1 10 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.374 -1.525 18487 5127 1 10 . 1 1 101 101 ILE H H 101 7.896 7.896 7.546 0.350 18487 5128 1 10 . 1 1 102 102 ILE N N 102 118.368 118.368 119.739 -1.371 18487 5129 1 10 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.346 0.062 18487 5130 1 10 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.631 0.615 18487 5131 1 10 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.554 -0.314 18487 5132 1 10 . 1 1 102 102 ILE H H 102 8.243 8.243 7.980 0.263 18487 5133 1 10 . 1 1 103 103 ASP N N 103 122.381 122.381 119.984 2.397 18487 5134 1 10 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.219 0.159 18487 5135 1 10 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.722 0.260 18487 5136 1 10 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.948 0.586 18487 5137 1 10 . 1 1 103 103 ASP H H 103 7.900 7.900 7.720 0.180 18487 5138 1 10 . 1 1 104 104 LEU N N 104 119.007 119.007 119.952 -0.945 18487 5139 1 10 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.958 0.040 18487 5140 1 10 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.742 -0.003 18487 5141 1 10 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.905 0.237 18487 5142 1 10 . 1 1 104 104 LEU H H 104 8.261 8.261 8.009 0.252 18487 5143 1 10 . 1 1 105 105 LEU N N 105 120.443 120.443 118.667 1.776 18487 5144 1 10 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.079 -0.092 18487 5145 1 10 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.776 -0.275 18487 5146 1 10 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.049 1.038 18487 5147 1 10 . 1 1 105 105 LEU H H 105 9.022 9.022 8.169 0.853 18487 5148 1 10 . 1 1 106 106 THR N N 106 114.821 114.821 115.684 -0.863 18487 5149 1 10 . 1 1 106 106 THR HA H 106 3.698 3.698 3.987 -0.289 18487 5150 1 10 . 1 1 106 106 THR CA C 106 67.610 67.610 66.797 0.813 18487 5151 1 10 . 1 1 106 106 THR CB C 106 68.325 68.325 68.898 -0.573 18487 5152 1 10 . 1 1 106 106 THR H H 106 8.273 8.273 7.624 0.649 18487 5153 1 10 . 1 1 107 107 LYS N N 107 120.049 120.049 120.641 -0.592 18487 5154 1 10 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.816 0.091 18487 5155 1 10 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.951 0.504 18487 5156 1 10 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.801 0.561 18487 5157 1 10 . 1 1 107 107 LYS H H 107 7.691 7.691 7.856 -0.165 18487 5158 1 10 . 1 1 108 108 GLN N N 108 118.375 118.375 121.113 -2.738 18487 5159 1 10 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.320 -0.302 18487 5160 1 10 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.839 -0.856 18487 5161 1 10 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.723 -1.068 18487 5162 1 10 . 1 1 108 108 GLN H H 108 7.888 7.888 7.839 0.049 18487 5163 1 10 . 1 1 109 109 LEU N N 109 118.066 118.066 118.009 0.057 18487 5164 1 10 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.200 -0.018 18487 5165 1 10 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.365 0.102 18487 5166 1 10 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.542 0.268 18487 5167 1 10 . 1 1 109 109 LEU H H 109 8.269 8.269 7.557 0.712 18487 5168 1 10 . 1 1 110 110 ALA N N 110 120.909 120.909 122.358 -1.449 18487 5169 1 10 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.041 -0.009 18487 5170 1 10 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.310 -0.070 18487 5171 1 10 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.305 0.362 18487 5172 1 10 . 1 1 110 110 ALA H H 110 8.171 8.171 7.459 0.712 18487 5173 1 10 . 1 1 111 111 TYR N N 111 114.611 114.611 116.990 -2.379 18487 5174 1 10 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.459 0.183 18487 5175 1 10 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.092 -0.165 18487 5176 1 10 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.300 0.172 18487 5177 1 10 . 1 1 111 111 TYR H H 111 7.763 7.763 7.685 0.078 18487 5178 1 10 . 1 1 112 112 GLY N N 112 107.916 107.916 107.013 0.903 18487 5179 1 10 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.019 1.189 18487 5180 1 10 . 1 1 112 112 GLY H H 112 7.941 7.941 7.749 0.192 18487 5181 1 10 . 1 1 113 113 GLU N N 113 119.571 119.571 119.693 -0.122 18487 5182 1 10 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.432 -0.042 18487 5183 1 10 . 1 1 113 113 GLU CA C 113 56.025 56.025 55.107 0.918 18487 5184 1 10 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.102 -0.700 18487 5185 1 10 . 1 1 113 113 GLU H H 113 8.166 8.166 8.160 0.006 18487 5186 1 10 . 1 1 114 114 ASP N N 114 121.457 121.457 119.738 1.719 18487 5187 1 10 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.788 -0.163 18487 5188 1 10 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.698 1.377 18487 5189 1 10 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.808 -0.811 18487 5190 1 10 . 1 1 114 114 ASP H H 114 8.560 8.560 8.568 -0.008 18487 5191 1 10 . 1 1 115 115 VAL N N 115 120.645 120.645 123.254 -2.609 18487 5192 1 10 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.081 -0.002 18487 5193 1 10 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.994 -0.476 18487 5194 1 10 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.848 -1.015 18487 5195 1 10 . 1 1 115 115 VAL H H 115 8.659 8.659 8.506 0.153 18487 5196 1 10 . 1 1 116 116 ILE N N 116 120.775 120.775 118.305 2.470 18487 5197 1 10 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.606 0.057 18487 5198 1 10 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.705 0.031 18487 5199 1 10 . 1 1 116 116 ILE CB C 116 39.798 39.798 37.781 2.017 18487 5200 1 10 . 1 1 116 116 ILE H H 116 7.881 7.881 7.917 -0.036 18487 5201 1 10 . 1 1 117 117 SER N N 117 121.192 121.192 121.466 -0.274 18487 5202 1 10 . 1 1 117 117 SER HA H 117 4.641 4.641 4.638 0.003 18487 5203 1 10 . 1 1 117 117 SER CA C 117 57.846 57.846 57.850 -0.004 18487 5204 1 10 . 1 1 117 117 SER CB C 117 63.962 63.962 63.989 -0.027 18487 5205 1 10 . 1 1 117 117 SER H H 117 8.767 8.767 8.820 -0.053 18487 5206 1 10 . 1 1 118 118 LYS N N 118 124.317 124.317 119.967 4.350 18487 5207 1 10 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.420 -0.064 18487 5208 1 10 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.391 0.146 18487 5209 1 10 . 1 1 118 118 LYS CB C 118 33.050 33.050 31.669 1.381 18487 5210 1 10 . 1 1 118 118 LYS H H 118 8.633 8.633 8.590 0.043 18487 5211 1 11 . 1 1 10 10 HIS HA H 10 4.680 4.680 5.276 -0.596 18487 5212 1 11 . 1 1 11 11 MET N N 11 120.918 120.918 125.481 -4.563 18487 5213 1 11 . 1 1 11 11 MET HA H 11 4.435 4.435 4.645 -0.210 18487 5214 1 11 . 1 1 11 11 MET CA C 11 55.736 55.736 56.132 -0.396 18487 5215 1 11 . 1 1 11 11 MET CB C 11 32.501 32.501 33.035 -0.534 18487 5216 1 11 . 1 1 11 11 MET H H 11 8.289 8.289 8.298 -0.009 18487 5217 1 11 . 1 1 12 12 ASN N N 12 120.356 120.356 122.491 -2.135 18487 5218 1 11 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.888 -0.130 18487 5219 1 11 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.969 -0.481 18487 5220 1 11 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.643 -1.067 18487 5221 1 11 . 1 1 12 12 ASN H H 12 8.583 8.583 8.577 0.006 18487 5222 1 11 . 1 1 13 13 SER N N 13 116.582 116.582 119.572 -2.990 18487 5223 1 11 . 1 1 13 13 SER HA H 13 4.378 4.378 4.576 -0.198 18487 5224 1 11 . 1 1 13 13 SER CA C 13 58.842 58.842 58.334 0.508 18487 5225 1 11 . 1 1 13 13 SER CB C 13 63.403 63.403 64.091 -0.688 18487 5226 1 11 . 1 1 13 13 SER H H 13 8.319 8.319 8.506 -0.187 18487 5227 1 11 . 1 1 14 14 GLN N N 14 121.369 121.369 123.256 -1.887 18487 5228 1 11 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.363 -0.045 18487 5229 1 11 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.401 0.698 18487 5230 1 11 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.188 -0.244 18487 5231 1 11 . 1 1 14 14 GLN H H 14 8.365 8.365 8.356 0.009 18487 5232 1 11 . 1 1 15 15 ARG N N 15 121.565 121.565 124.224 -2.659 18487 5233 1 11 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.604 -0.290 18487 5234 1 11 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.166 0.722 18487 5235 1 11 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.663 -0.236 18487 5236 1 11 . 1 1 15 15 ARG H H 15 8.084 8.084 8.640 -0.556 18487 5237 1 11 . 1 1 16 16 LEU N N 16 123.810 123.810 120.558 3.252 18487 5238 1 11 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.733 -0.390 18487 5239 1 11 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.784 0.856 18487 5240 1 11 . 1 1 16 16 LEU CB C 16 42.062 42.062 43.661 -1.599 18487 5241 1 11 . 1 1 16 16 LEU H H 16 8.254 8.254 8.305 -0.051 18487 5242 1 11 . 1 1 17 17 ILE N N 17 122.996 122.996 122.695 0.301 18487 5243 1 11 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.890 0.264 18487 5244 1 11 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.257 -1.043 18487 5245 1 11 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.818 -0.034 18487 5246 1 11 . 1 1 17 17 ILE H H 17 8.006 8.006 7.931 0.075 18487 5247 1 11 . 1 1 18 18 HIS N N 18 126.123 126.123 126.492 -0.369 18487 5248 1 11 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.469 0.376 18487 5249 1 11 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.990 -1.785 18487 5250 1 11 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.159 1.038 18487 5251 1 11 . 1 1 18 18 HIS H H 18 9.025 9.025 8.404 0.621 18487 5252 1 11 . 1 1 19 19 ILE N N 19 124.783 124.783 126.184 -1.401 18487 5253 1 11 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.926 0.064 18487 5254 1 11 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.569 -1.061 18487 5255 1 11 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.422 -0.072 18487 5256 1 11 . 1 1 19 19 ILE H H 19 8.485 8.485 8.373 0.112 18487 5257 1 11 . 1 1 20 20 LYS N N 20 128.184 128.184 129.160 -0.976 18487 5258 1 11 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.542 0.217 18487 5259 1 11 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.467 -1.338 18487 5260 1 11 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.102 1.539 18487 5261 1 11 . 1 1 20 20 LYS H H 20 9.253 9.253 8.727 0.526 18487 5262 1 11 . 1 1 21 21 THR N N 21 114.649 114.649 121.833 -7.184 18487 5263 1 11 . 1 1 21 21 THR HA H 21 4.930 4.930 4.637 0.293 18487 5264 1 11 . 1 1 21 21 THR CA C 21 60.191 60.191 61.544 -1.353 18487 5265 1 11 . 1 1 21 21 THR CB C 21 69.966 69.966 68.976 0.990 18487 5266 1 11 . 1 1 21 21 THR H H 21 8.232 8.232 8.476 -0.244 18487 5267 1 11 . 1 1 22 22 LEU N N 22 125.973 125.973 130.693 -4.720 18487 5268 1 11 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.684 -0.005 18487 5269 1 11 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.318 0.435 18487 5270 1 11 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.830 -0.696 18487 5271 1 11 . 1 1 22 22 LEU H H 22 9.156 9.156 8.575 0.581 18487 5272 1 11 . 1 1 23 23 THR N N 23 112.582 112.582 113.804 -1.222 18487 5273 1 11 . 1 1 23 23 THR HA H 23 4.281 4.281 4.231 0.050 18487 5274 1 11 . 1 1 23 23 THR CA C 23 61.474 61.474 61.379 0.095 18487 5275 1 11 . 1 1 23 23 THR CB C 23 69.759 69.759 69.566 0.194 18487 5276 1 11 . 1 1 23 23 THR H H 23 7.912 7.912 8.341 -0.429 18487 5277 1 11 . 1 1 24 24 THR N N 24 112.952 112.952 114.881 -1.929 18487 5278 1 11 . 1 1 24 24 THR HA H 24 5.040 5.040 4.714 0.326 18487 5279 1 11 . 1 1 24 24 THR CA C 24 60.000 60.000 58.813 1.187 18487 5280 1 11 . 1 1 24 24 THR CB C 24 69.872 69.872 69.519 0.353 18487 5281 1 11 . 1 1 24 24 THR H H 24 8.793 8.793 8.116 0.677 18487 5282 1 11 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.372 0.073 18487 5283 1 11 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.888 0.434 18487 5284 1 11 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.834 -0.254 18487 5285 1 11 . 1 1 26 26 ASN N N 26 115.534 115.534 117.614 -2.080 18487 5286 1 11 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.854 0.081 18487 5287 1 11 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.065 -1.028 18487 5288 1 11 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.044 -0.322 18487 5289 1 11 . 1 1 26 26 ASN H H 26 7.774 7.774 7.708 0.066 18487 5290 1 11 . 1 1 27 27 GLU N N 27 127.099 127.099 121.266 5.833 18487 5291 1 11 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.157 0.253 18487 5292 1 11 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.918 0.040 18487 5293 1 11 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.706 -0.601 18487 5294 1 11 . 1 1 27 27 GLU H H 27 9.428 9.428 8.822 0.606 18487 5295 1 11 . 1 1 28 28 ASN N N 28 115.176 115.176 117.254 -2.078 18487 5296 1 11 . 1 1 28 28 ASN HA H 28 4.986 4.986 5.071 -0.085 18487 5297 1 11 . 1 1 28 28 ASN CA C 28 53.784 53.784 52.683 1.101 18487 5298 1 11 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.360 0.185 18487 5299 1 11 . 1 1 28 28 ASN H H 28 8.591 8.591 8.548 0.043 18487 5300 1 11 . 1 1 29 29 ALA N N 29 123.317 123.317 121.937 1.380 18487 5301 1 11 . 1 1 29 29 ALA HA H 29 6.376 6.376 4.889 1.487 18487 5302 1 11 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.051 0.259 18487 5303 1 11 . 1 1 29 29 ALA CB C 29 22.158 22.158 22.070 0.088 18487 5304 1 11 . 1 1 29 29 ALA H H 29 8.210 8.210 7.608 0.602 18487 5305 1 11 . 1 1 30 30 LEU N N 30 124.426 124.426 125.126 -0.700 18487 5306 1 11 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.391 0.117 18487 5307 1 11 . 1 1 30 30 LEU CA C 30 53.660 53.660 53.931 -0.271 18487 5308 1 11 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.164 0.387 18487 5309 1 11 . 1 1 30 30 LEU H H 30 8.550 8.550 8.068 0.482 18487 5310 1 11 . 1 1 31 31 LYS N N 31 123.555 123.555 126.357 -2.802 18487 5311 1 11 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.872 0.267 18487 5312 1 11 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.673 -0.590 18487 5313 1 11 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.829 1.342 18487 5314 1 11 . 1 1 31 31 LYS H H 31 8.169 8.169 8.297 -0.128 18487 5315 1 11 . 1 1 32 32 PHE N N 32 124.529 124.529 124.695 -0.166 18487 5316 1 11 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.943 0.032 18487 5317 1 11 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.958 -0.484 18487 5318 1 11 . 1 1 32 32 PHE CB C 32 40.077 40.077 41.383 -1.306 18487 5319 1 11 . 1 1 32 32 PHE H H 32 9.634 9.634 8.825 0.809 18487 5320 1 11 . 1 1 33 33 LEU N N 33 122.712 122.712 125.061 -2.349 18487 5321 1 11 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.928 0.136 18487 5322 1 11 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.276 1.111 18487 5323 1 11 . 1 1 33 33 LEU CB C 33 45.826 45.826 46.117 -0.291 18487 5324 1 11 . 1 1 33 33 LEU H H 33 9.174 9.174 8.764 0.410 18487 5325 1 11 . 1 1 34 34 SER N N 34 117.120 117.120 122.467 -5.347 18487 5326 1 11 . 1 1 34 34 SER HA H 34 5.116 5.116 5.216 -0.100 18487 5327 1 11 . 1 1 34 34 SER CA C 34 56.626 56.626 57.785 -1.159 18487 5328 1 11 . 1 1 34 34 SER CB C 34 64.053 64.053 64.079 -0.026 18487 5329 1 11 . 1 1 34 34 SER H H 34 8.979 8.979 8.365 0.614 18487 5330 1 11 . 1 1 35 35 THR N N 35 117.097 117.097 115.101 1.996 18487 5331 1 11 . 1 1 35 35 THR HA H 35 4.460 4.460 4.591 -0.131 18487 5332 1 11 . 1 1 35 35 THR CA C 35 62.944 62.944 62.549 0.395 18487 5333 1 11 . 1 1 35 35 THR CB C 35 69.779 69.779 70.210 -0.432 18487 5334 1 11 . 1 1 35 35 THR H H 35 8.646 8.646 8.278 0.368 18487 5335 1 11 . 1 1 36 36 ASP N N 36 120.039 120.039 123.487 -3.448 18487 5336 1 11 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.579 0.276 18487 5337 1 11 . 1 1 36 36 ASP CA C 36 54.741 54.741 56.182 -1.442 18487 5338 1 11 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.293 0.226 18487 5339 1 11 . 1 1 36 36 ASP H H 36 8.711 8.711 8.371 0.340 18487 5340 1 11 . 1 1 37 37 GLY N N 37 107.015 107.015 105.971 1.044 18487 5341 1 11 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.161 0.468 18487 5342 1 11 . 1 1 37 37 GLY H H 37 8.020 8.020 8.414 -0.394 18487 5343 1 11 . 1 1 38 38 GLU N N 38 120.021 120.021 122.349 -2.328 18487 5344 1 11 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.581 -0.303 18487 5345 1 11 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.535 1.608 18487 5346 1 11 . 1 1 38 38 GLU CB C 38 29.317 29.317 27.703 1.614 18487 5347 1 11 . 1 1 38 38 GLU H H 38 8.101 8.101 8.317 -0.216 18487 5348 1 11 . 1 1 39 39 MET N N 39 121.372 121.372 121.506 -0.134 18487 5349 1 11 . 1 1 39 39 MET HA H 39 4.799 4.799 4.368 0.431 18487 5350 1 11 . 1 1 39 39 MET CA C 39 54.229 54.229 55.974 -1.745 18487 5351 1 11 . 1 1 39 39 MET CB C 39 33.392 33.392 32.709 0.683 18487 5352 1 11 . 1 1 39 39 MET H H 39 8.571 8.571 8.125 0.446 18487 5353 1 11 . 1 1 40 40 LEU N N 40 121.913 121.913 123.630 -1.717 18487 5354 1 11 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.493 -0.234 18487 5355 1 11 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.640 0.504 18487 5356 1 11 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.314 0.112 18487 5357 1 11 . 1 1 40 40 LEU H H 40 8.572 8.572 8.382 0.190 18487 5358 1 11 . 1 1 41 41 GLN N N 41 114.647 114.647 115.308 -0.661 18487 5359 1 11 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.593 0.075 18487 5360 1 11 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.139 0.258 18487 5361 1 11 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.457 2.833 18487 5362 1 11 . 1 1 41 41 GLN H H 41 8.420 8.420 7.725 0.695 18487 5363 1 11 . 1 1 42 42 THR N N 42 111.706 111.706 117.619 -5.913 18487 5364 1 11 . 1 1 42 42 THR HA H 42 4.038 4.038 4.342 -0.304 18487 5365 1 11 . 1 1 42 42 THR CA C 42 63.082 63.082 62.292 0.790 18487 5366 1 11 . 1 1 42 42 THR CB C 42 69.264 69.264 69.577 -0.313 18487 5367 1 11 . 1 1 42 42 THR H H 42 8.205 8.205 8.590 -0.385 18487 5368 1 11 . 1 1 43 43 ARG N N 43 126.367 126.367 129.085 -2.718 18487 5369 1 11 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.011 0.138 18487 5370 1 11 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.593 -0.160 18487 5371 1 11 . 1 1 43 43 ARG CB C 43 28.927 28.927 28.883 0.044 18487 5372 1 11 . 1 1 43 43 ARG H H 43 8.885 8.885 8.984 -0.099 18487 5373 1 11 . 1 1 44 44 GLY N N 44 116.299 116.299 114.103 2.196 18487 5374 1 11 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.882 -0.006 18487 5375 1 11 . 1 1 44 44 GLY H H 44 9.999 9.999 8.784 1.215 18487 5376 1 11 . 1 1 45 45 SER N N 45 117.374 117.374 120.072 -2.698 18487 5377 1 11 . 1 1 45 45 SER HA H 45 4.316 4.316 4.582 -0.266 18487 5378 1 11 . 1 1 45 45 SER CA C 45 59.967 59.967 58.302 1.665 18487 5379 1 11 . 1 1 45 45 SER CB C 45 63.866 63.866 63.987 -0.121 18487 5380 1 11 . 1 1 45 45 SER H H 45 8.034 8.034 8.252 -0.218 18487 5381 1 11 . 1 1 46 46 LYS N N 46 124.024 124.024 125.473 -1.449 18487 5382 1 11 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.245 0.012 18487 5383 1 11 . 1 1 46 46 LYS CA C 46 56.302 56.302 56.675 -0.373 18487 5384 1 11 . 1 1 46 46 LYS CB C 46 32.677 32.677 32.993 -0.316 18487 5385 1 11 . 1 1 46 46 LYS H H 46 8.560 8.560 8.421 0.139 18487 5386 1 11 . 1 1 47 47 SER N N 47 119.851 119.851 116.553 3.298 18487 5387 1 11 . 1 1 47 47 SER HA H 47 4.824 4.824 4.598 0.226 18487 5388 1 11 . 1 1 47 47 SER CA C 47 57.920 57.920 58.627 -0.707 18487 5389 1 11 . 1 1 47 47 SER CB C 47 63.770 63.770 63.032 0.738 18487 5390 1 11 . 1 1 47 47 SER H H 47 8.663 8.663 8.365 0.298 18487 5391 1 11 . 1 1 48 48 ILE N N 48 124.054 124.054 128.263 -4.209 18487 5392 1 11 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.008 0.349 18487 5393 1 11 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.489 -1.377 18487 5394 1 11 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.501 2.596 18487 5395 1 11 . 1 1 48 48 ILE H H 48 8.619 8.619 8.002 0.617 18487 5396 1 11 . 1 1 49 49 VAL N N 49 128.260 128.260 129.314 -1.054 18487 5397 1 11 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.555 0.177 18487 5398 1 11 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.930 0.082 18487 5399 1 11 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.924 0.687 18487 5400 1 11 . 1 1 49 49 VAL H H 49 8.498 8.498 8.671 -0.173 18487 5401 1 11 . 1 1 50 50 ILE N N 50 127.715 127.715 130.797 -3.082 18487 5402 1 11 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.267 0.236 18487 5403 1 11 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.678 0.812 18487 5404 1 11 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.632 2.832 18487 5405 1 11 . 1 1 50 50 ILE H H 50 9.236 9.236 8.353 0.883 18487 5406 1 11 . 1 1 51 51 LYS N N 51 127.422 127.422 127.519 -0.097 18487 5407 1 11 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.623 0.037 18487 5408 1 11 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.823 -0.273 18487 5409 1 11 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.800 0.143 18487 5410 1 11 . 1 1 51 51 LYS H H 51 9.673 9.673 8.148 1.525 18487 5411 1 11 . 1 1 52 52 ASN N N 52 117.981 117.981 119.524 -1.543 18487 5412 1 11 . 1 1 52 52 ASN HA H 52 2.748 2.748 4.288 -1.540 18487 5413 1 11 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.650 -0.483 18487 5414 1 11 . 1 1 52 52 ASN CB C 52 36.383 36.383 38.185 -1.802 18487 5415 1 11 . 1 1 52 52 ASN H H 52 8.119 8.119 8.896 -0.777 18487 5416 1 11 . 1 1 53 53 THR N N 53 105.425 105.425 107.653 -2.228 18487 5417 1 11 . 1 1 53 53 THR HA H 53 4.218 4.218 4.291 -0.073 18487 5418 1 11 . 1 1 53 53 THR CA C 53 60.619 60.619 62.483 -1.864 18487 5419 1 11 . 1 1 53 53 THR CB C 53 69.221 69.221 68.765 0.456 18487 5420 1 11 . 1 1 53 53 THR H H 53 6.908 6.908 7.925 -1.017 18487 5421 1 11 . 1 1 54 54 ASP N N 54 125.547 125.547 124.499 1.048 18487 5422 1 11 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.775 0.191 18487 5423 1 11 . 1 1 54 54 ASP CA C 54 53.513 53.513 53.282 0.231 18487 5424 1 11 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.049 0.907 18487 5425 1 11 . 1 1 54 54 ASP H H 54 7.811 7.811 7.668 0.143 18487 5426 1 11 . 1 1 55 55 GLU N N 55 123.946 123.946 123.955 -0.009 18487 5427 1 11 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.792 0.031 18487 5428 1 11 . 1 1 55 55 GLU CA C 55 60.124 60.124 60.072 0.052 18487 5429 1 11 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.661 0.271 18487 5430 1 11 . 1 1 55 55 GLU H H 55 7.919 7.919 7.897 0.022 18487 5431 1 11 . 1 1 56 56 ASN N N 56 115.295 115.295 117.306 -2.011 18487 5432 1 11 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.575 -0.021 18487 5433 1 11 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.983 0.125 18487 5434 1 11 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.000 0.267 18487 5435 1 11 . 1 1 56 56 ASN H H 56 8.728 8.728 8.704 0.024 18487 5436 1 11 . 1 1 57 57 LEU N N 57 120.223 120.223 119.949 0.274 18487 5437 1 11 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.190 0.045 18487 5438 1 11 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.134 0.455 18487 5439 1 11 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.010 0.902 18487 5440 1 11 . 1 1 57 57 LEU H H 57 7.621 7.621 7.395 0.226 18487 5441 1 11 . 1 1 58 58 ILE N N 58 120.489 120.489 120.233 0.256 18487 5442 1 11 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.615 -0.079 18487 5443 1 11 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.297 1.042 18487 5444 1 11 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.768 0.625 18487 5445 1 11 . 1 1 58 58 ILE H H 58 8.461 8.461 8.202 0.259 18487 5446 1 11 . 1 1 59 59 ASN N N 59 114.873 114.873 116.859 -1.986 18487 5447 1 11 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.454 0.024 18487 5448 1 11 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.566 -0.611 18487 5449 1 11 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.691 -0.656 18487 5450 1 11 . 1 1 59 59 ASN H H 59 7.958 7.958 8.028 -0.070 18487 5451 1 11 . 1 1 60 60 HIS N N 60 115.059 115.059 117.132 -2.073 18487 5452 1 11 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.554 0.214 18487 5453 1 11 . 1 1 60 60 HIS CA C 60 56.337 56.337 58.198 -1.861 18487 5454 1 11 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.618 -0.802 18487 5455 1 11 . 1 1 60 60 HIS H H 60 7.633 7.633 7.706 -0.073 18487 5456 1 11 . 1 1 61 61 SER N N 61 115.447 115.447 114.024 1.423 18487 5457 1 11 . 1 1 61 61 SER HA H 61 5.135 5.135 4.767 0.368 18487 5458 1 11 . 1 1 61 61 SER CA C 61 56.072 56.072 55.874 0.198 18487 5459 1 11 . 1 1 61 61 SER CB C 61 63.806 63.806 63.783 0.023 18487 5460 1 11 . 1 1 61 61 SER H H 61 7.849 7.849 7.664 0.185 18487 5461 1 11 . 1 1 62 62 LYS N N 62 132.090 132.090 129.722 2.368 18487 5462 1 11 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.068 -0.024 18487 5463 1 11 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.648 0.896 18487 5464 1 11 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.184 -0.645 18487 5465 1 11 . 1 1 62 62 LYS H H 62 9.021 9.021 9.015 0.006 18487 5466 1 11 . 1 1 63 63 LEU N N 63 118.793 118.793 119.320 -0.527 18487 5467 1 11 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.051 0.075 18487 5468 1 11 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.943 -0.293 18487 5469 1 11 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.560 0.219 18487 5470 1 11 . 1 1 63 63 LEU H H 63 8.567 8.567 8.163 0.404 18487 5471 1 11 . 1 1 64 64 ALA N N 64 118.752 118.752 120.681 -1.929 18487 5472 1 11 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.979 -0.359 18487 5473 1 11 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.366 -0.309 18487 5474 1 11 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.254 0.331 18487 5475 1 11 . 1 1 64 64 ALA H H 64 7.645 7.645 7.478 0.167 18487 5476 1 11 . 1 1 65 65 GLN N N 65 115.176 115.176 117.807 -2.631 18487 5477 1 11 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.975 -0.029 18487 5478 1 11 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.057 0.200 18487 5479 1 11 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.505 0.095 18487 5480 1 11 . 1 1 65 65 GLN H H 65 8.539 8.539 7.807 0.732 18487 5481 1 11 . 1 1 66 66 GLN N N 66 115.801 115.801 118.969 -3.168 18487 5482 1 11 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.084 -0.018 18487 5483 1 11 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.654 -0.094 18487 5484 1 11 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.506 0.991 18487 5485 1 11 . 1 1 66 66 GLN H H 66 8.125 8.125 7.958 0.167 18487 5486 1 11 . 1 1 67 67 ILE N N 67 119.874 119.874 119.518 0.356 18487 5487 1 11 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.649 -0.312 18487 5488 1 11 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.152 0.891 18487 5489 1 11 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.620 -0.702 18487 5490 1 11 . 1 1 67 67 ILE H H 67 8.281 8.281 8.129 0.152 18487 5491 1 11 . 1 1 68 68 PHE N N 68 114.873 114.873 118.558 -3.685 18487 5492 1 11 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.442 0.053 18487 5493 1 11 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.792 -1.101 18487 5494 1 11 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.712 -1.064 18487 5495 1 11 . 1 1 68 68 PHE H H 68 8.255 8.255 8.231 0.024 18487 5496 1 11 . 1 1 69 69 LEU N N 69 117.763 117.763 120.126 -2.363 18487 5497 1 11 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.099 0.196 18487 5498 1 11 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.711 -0.375 18487 5499 1 11 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.017 1.111 18487 5500 1 11 . 1 1 69 69 LEU H H 69 7.747 7.747 7.648 0.099 18487 5501 1 11 . 1 1 70 70 GLN N N 70 115.040 115.040 116.108 -1.068 18487 5502 1 11 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.186 0.126 18487 5503 1 11 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.481 -0.251 18487 5504 1 11 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.317 0.705 18487 5505 1 11 . 1 1 70 70 GLN H H 70 8.308 8.308 8.250 0.058 18487 5506 1 11 . 1 1 71 71 CYS N N 71 115.881 115.881 117.849 -1.968 18487 5507 1 11 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.889 0.069 18487 5508 1 11 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.977 -0.577 18487 5509 1 11 . 1 1 71 71 CYS CB C 71 28.735 28.735 28.167 0.568 18487 5510 1 11 . 1 1 71 71 CYS H H 71 8.242 8.242 7.838 0.404 18487 5511 1 11 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.646 -0.083 18487 5512 1 11 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.663 0.346 18487 5513 1 11 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.214 -0.803 18487 5514 1 11 . 1 1 73 73 GLY N N 73 106.975 106.975 105.707 1.268 18487 5515 1 11 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.315 0.963 18487 5516 1 11 . 1 1 73 73 GLY H H 73 8.657 8.657 8.257 0.400 18487 5517 1 11 . 1 1 74 74 VAL N N 74 119.448 119.448 120.406 -0.958 18487 5518 1 11 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.877 0.103 18487 5519 1 11 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.634 0.167 18487 5520 1 11 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.207 0.293 18487 5521 1 11 . 1 1 74 74 VAL H H 74 7.747 7.747 7.128 0.619 18487 5522 1 11 . 1 1 75 75 GLU N N 75 129.063 129.063 127.286 1.777 18487 5523 1 11 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.347 0.120 18487 5524 1 11 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.772 0.258 18487 5525 1 11 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.572 0.040 18487 5526 1 11 . 1 1 75 75 GLU H H 75 8.994 8.994 8.380 0.614 18487 5527 1 11 . 1 1 76 76 SER N N 76 110.068 110.068 111.017 -0.949 18487 5528 1 11 . 1 1 76 76 SER HA H 76 5.283 5.283 5.142 0.141 18487 5529 1 11 . 1 1 76 76 SER CA C 76 57.395 57.395 57.150 0.245 18487 5530 1 11 . 1 1 76 76 SER CB C 76 65.281 65.281 66.969 -1.688 18487 5531 1 11 . 1 1 76 76 SER H H 76 8.306 8.306 7.412 0.894 18487 5532 1 11 . 1 1 77 77 LEU N N 77 117.334 117.334 120.288 -2.954 18487 5533 1 11 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.109 0.292 18487 5534 1 11 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.778 -0.197 18487 5535 1 11 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.971 0.202 18487 5536 1 11 . 1 1 77 77 LEU H H 77 9.250 9.250 8.943 0.307 18487 5537 1 11 . 1 1 78 78 MET N N 78 121.119 121.119 122.449 -1.330 18487 5538 1 11 . 1 1 78 78 MET HA H 78 5.367 5.367 5.012 0.355 18487 5539 1 11 . 1 1 78 78 MET CA C 78 53.966 53.966 54.355 -0.390 18487 5540 1 11 . 1 1 78 78 MET CB C 78 36.374 36.374 35.936 0.438 18487 5541 1 11 . 1 1 78 78 MET H H 78 9.333 9.333 8.914 0.419 18487 5542 1 11 . 1 1 79 79 ILE N N 79 127.512 127.512 127.647 -0.135 18487 5543 1 11 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.327 -0.335 18487 5544 1 11 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.129 2.497 18487 5545 1 11 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.326 2.061 18487 5546 1 11 . 1 1 79 79 ILE H H 79 9.396 9.396 8.580 0.816 18487 5547 1 11 . 1 1 80 80 GLY N N 80 117.437 117.437 113.153 4.284 18487 5548 1 11 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.994 0.616 18487 5549 1 11 . 1 1 80 80 GLY H H 80 7.916 7.916 7.519 0.397 18487 5550 1 11 . 1 1 81 81 ASP N N 81 118.860 118.860 118.964 -0.104 18487 5551 1 11 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.336 0.337 18487 5552 1 11 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.599 -3.566 18487 5553 1 11 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.457 -1.783 18487 5554 1 11 . 1 1 81 81 ASP H H 81 7.983 7.983 8.610 -0.627 18487 5555 1 11 . 1 1 82 82 ASP N N 82 118.682 118.682 117.115 1.567 18487 5556 1 11 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.630 0.189 18487 5557 1 11 . 1 1 82 82 ASP CA C 82 52.138 52.138 54.853 -2.715 18487 5558 1 11 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.511 -0.517 18487 5559 1 11 . 1 1 82 82 ASP H H 82 9.164 9.164 8.862 0.302 18487 5560 1 11 . 1 1 83 83 PHE N N 83 110.898 110.898 114.046 -3.148 18487 5561 1 11 . 1 1 83 83 PHE HA H 83 5.850 5.850 4.997 0.853 18487 5562 1 11 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.651 -0.687 18487 5563 1 11 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.209 1.537 18487 5564 1 11 . 1 1 83 83 PHE H H 83 6.887 6.887 7.313 -0.426 18487 5565 1 11 . 1 1 84 84 LEU N N 84 121.119 121.119 120.329 0.790 18487 5566 1 11 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.087 0.146 18487 5567 1 11 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.914 -0.948 18487 5568 1 11 . 1 1 84 84 LEU CB C 84 47.408 47.408 46.792 0.616 18487 5569 1 11 . 1 1 84 84 LEU H H 84 9.118 9.118 8.537 0.581 18487 5570 1 11 . 1 1 85 85 THR N N 85 125.430 125.430 122.738 2.692 18487 5571 1 11 . 1 1 85 85 THR HA H 85 5.639 5.639 4.981 0.658 18487 5572 1 11 . 1 1 85 85 THR CA C 85 61.743 61.743 62.328 -0.585 18487 5573 1 11 . 1 1 85 85 THR CB C 85 69.835 69.835 70.692 -0.857 18487 5574 1 11 . 1 1 85 85 THR H H 85 9.780 9.780 8.674 1.106 18487 5575 1 11 . 1 1 86 86 ILE N N 86 126.778 126.778 127.909 -1.131 18487 5576 1 11 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.525 0.186 18487 5577 1 11 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.100 -1.395 18487 5578 1 11 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.287 2.057 18487 5579 1 11 . 1 1 86 86 ILE H H 86 9.151 9.151 8.524 0.627 18487 5580 1 11 . 1 1 87 87 ASN N N 87 124.785 124.785 127.472 -2.687 18487 5581 1 11 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.554 0.472 18487 5582 1 11 . 1 1 87 87 ASN CA C 87 52.032 52.032 53.430 -1.398 18487 5583 1 11 . 1 1 87 87 ASN CB C 87 39.679 39.679 40.418 -0.739 18487 5584 1 11 . 1 1 87 87 ASN H H 87 8.680 8.680 8.672 0.008 18487 5585 1 11 . 1 1 88 88 LYS N N 88 122.617 122.617 121.656 0.961 18487 5586 1 11 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.878 0.361 18487 5587 1 11 . 1 1 88 88 LYS CA C 88 53.514 53.514 52.918 0.596 18487 5588 1 11 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.741 1.514 18487 5589 1 11 . 1 1 88 88 LYS H H 88 9.361 9.361 8.492 0.869 18487 5590 1 11 . 1 1 89 89 ASP N N 89 121.211 121.211 120.896 0.315 18487 5591 1 11 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.718 -0.257 18487 5592 1 11 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.500 0.395 18487 5593 1 11 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.767 -0.023 18487 5594 1 11 . 1 1 89 89 ASP H H 89 8.454 8.454 8.191 0.263 18487 5595 1 11 . 1 1 90 90 ARG N N 90 124.551 124.551 124.819 -0.268 18487 5596 1 11 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.037 0.037 18487 5597 1 11 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.256 -0.147 18487 5598 1 11 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.358 0.537 18487 5599 1 11 . 1 1 90 90 ARG H H 90 8.475 8.475 8.731 -0.256 18487 5600 1 11 . 1 1 91 91 MET N N 91 115.821 115.821 115.787 0.034 18487 5601 1 11 . 1 1 91 91 MET HA H 91 4.424 4.424 4.327 0.097 18487 5602 1 11 . 1 1 91 91 MET CA C 91 55.206 55.206 56.806 -1.600 18487 5603 1 11 . 1 1 91 91 MET CB C 91 31.307 31.307 33.051 -1.744 18487 5604 1 11 . 1 1 91 91 MET H H 91 8.725 8.725 7.824 0.901 18487 5605 1 11 . 1 1 92 92 VAL N N 92 119.922 119.922 120.006 -0.084 18487 5606 1 11 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.918 0.188 18487 5607 1 11 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.474 -0.416 18487 5608 1 11 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.870 0.275 18487 5609 1 11 . 1 1 92 92 VAL H H 92 7.348 7.348 7.161 0.187 18487 5610 1 11 . 1 1 93 93 HIS N N 93 125.619 125.619 123.778 1.841 18487 5611 1 11 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.664 -0.068 18487 5612 1 11 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.093 0.301 18487 5613 1 11 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.968 -0.310 18487 5614 1 11 . 1 1 93 93 HIS H H 93 8.851 8.851 8.025 0.826 18487 5615 1 11 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.414 0.586 18487 5616 1 11 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.721 -0.721 18487 5617 1 11 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.817 0.183 18487 5618 1 11 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.571 0.126 18487 5619 1 11 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.841 0.186 18487 5620 1 11 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.219 -1.068 18487 5621 1 11 . 1 1 96 96 SER N N 96 113.047 113.047 114.339 -1.292 18487 5622 1 11 . 1 1 96 96 SER HA H 96 4.628 4.628 4.384 0.244 18487 5623 1 11 . 1 1 96 96 SER CA C 96 60.183 60.183 61.020 -0.837 18487 5624 1 11 . 1 1 96 96 SER CB C 96 63.901 63.901 64.280 -0.379 18487 5625 1 11 . 1 1 96 96 SER H H 96 8.064 8.064 7.920 0.144 18487 5626 1 11 . 1 1 97 97 ILE N N 97 116.621 116.621 122.936 -6.315 18487 5627 1 11 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.149 0.493 18487 5628 1 11 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.151 -0.373 18487 5629 1 11 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.273 4.154 18487 5630 1 11 . 1 1 97 97 ILE H H 97 7.705 7.705 7.754 -0.049 18487 5631 1 11 . 1 1 98 98 LYS N N 98 120.198 120.198 121.183 -0.985 18487 5632 1 11 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.311 -0.054 18487 5633 1 11 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.540 0.173 18487 5634 1 11 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.187 0.786 18487 5635 1 11 . 1 1 98 98 LYS H H 98 9.132 9.132 8.285 0.847 18487 5636 1 11 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.356 -0.072 18487 5637 1 11 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.852 0.482 18487 5638 1 11 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.131 -0.730 18487 5639 1 11 . 1 1 100 100 GLU N N 100 117.097 117.097 119.442 -2.345 18487 5640 1 11 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.062 0.090 18487 5641 1 11 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.160 -0.341 18487 5642 1 11 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.926 0.490 18487 5643 1 11 . 1 1 100 100 GLU H H 100 7.447 7.447 8.093 -0.646 18487 5644 1 11 . 1 1 101 101 ILE N N 101 118.326 118.326 120.071 -1.745 18487 5645 1 11 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.470 -0.106 18487 5646 1 11 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.326 -1.964 18487 5647 1 11 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.328 -1.479 18487 5648 1 11 . 1 1 101 101 ILE H H 101 7.896 7.896 7.826 0.070 18487 5649 1 11 . 1 1 102 102 ILE N N 102 118.368 118.368 119.952 -1.584 18487 5650 1 11 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.487 -0.079 18487 5651 1 11 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.763 0.483 18487 5652 1 11 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.481 -0.241 18487 5653 1 11 . 1 1 102 102 ILE H H 102 8.243 8.243 7.998 0.245 18487 5654 1 11 . 1 1 103 103 ASP N N 103 122.381 122.381 120.352 2.029 18487 5655 1 11 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.302 0.076 18487 5656 1 11 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.831 0.151 18487 5657 1 11 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.956 0.578 18487 5658 1 11 . 1 1 103 103 ASP H H 103 7.900 7.900 7.799 0.101 18487 5659 1 11 . 1 1 104 104 LEU N N 104 119.007 119.007 119.812 -0.805 18487 5660 1 11 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.967 0.031 18487 5661 1 11 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.943 -0.204 18487 5662 1 11 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.753 0.389 18487 5663 1 11 . 1 1 104 104 LEU H H 104 8.261 8.261 7.914 0.347 18487 5664 1 11 . 1 1 105 105 LEU N N 105 120.443 120.443 119.607 0.836 18487 5665 1 11 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.123 -0.136 18487 5666 1 11 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.163 -0.662 18487 5667 1 11 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.231 0.856 18487 5668 1 11 . 1 1 105 105 LEU H H 105 9.022 9.022 8.280 0.742 18487 5669 1 11 . 1 1 106 106 THR N N 106 114.821 114.821 115.409 -0.588 18487 5670 1 11 . 1 1 106 106 THR HA H 106 3.698 3.698 3.954 -0.256 18487 5671 1 11 . 1 1 106 106 THR CA C 106 67.610 67.610 66.545 1.065 18487 5672 1 11 . 1 1 106 106 THR CB C 106 68.325 68.325 68.615 -0.290 18487 5673 1 11 . 1 1 106 106 THR H H 106 8.273 8.273 7.719 0.554 18487 5674 1 11 . 1 1 107 107 LYS N N 107 120.049 120.049 121.073 -1.024 18487 5675 1 11 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.891 0.016 18487 5676 1 11 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.708 0.747 18487 5677 1 11 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.898 0.464 18487 5678 1 11 . 1 1 107 107 LYS H H 107 7.691 7.691 8.054 -0.363 18487 5679 1 11 . 1 1 108 108 GLN N N 108 118.375 118.375 119.377 -1.002 18487 5680 1 11 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.206 -0.188 18487 5681 1 11 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.026 -1.044 18487 5682 1 11 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.624 -0.969 18487 5683 1 11 . 1 1 108 108 GLN H H 108 7.888 7.888 7.872 0.016 18487 5684 1 11 . 1 1 109 109 LEU N N 109 118.066 118.066 116.174 1.892 18487 5685 1 11 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.386 -0.204 18487 5686 1 11 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.119 0.348 18487 5687 1 11 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.792 0.018 18487 5688 1 11 . 1 1 109 109 LEU H H 109 8.269 8.269 7.929 0.340 18487 5689 1 11 . 1 1 110 110 ALA N N 110 120.909 120.909 119.920 0.989 18487 5690 1 11 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.092 -0.060 18487 5691 1 11 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.891 0.349 18487 5692 1 11 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.609 0.058 18487 5693 1 11 . 1 1 110 110 ALA H H 110 8.171 8.171 7.290 0.881 18487 5694 1 11 . 1 1 111 111 TYR N N 111 114.611 114.611 116.928 -2.317 18487 5695 1 11 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.712 -0.070 18487 5696 1 11 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.430 -0.503 18487 5697 1 11 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.634 -1.162 18487 5698 1 11 . 1 1 111 111 TYR H H 111 7.763 7.763 7.649 0.114 18487 5699 1 11 . 1 1 112 112 GLY N N 112 107.916 107.916 106.359 1.557 18487 5700 1 11 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.347 0.861 18487 5701 1 11 . 1 1 112 112 GLY H H 112 7.941 7.941 7.878 0.063 18487 5702 1 11 . 1 1 113 113 GLU N N 113 119.571 119.571 121.022 -1.451 18487 5703 1 11 . 1 1 113 113 GLU HA H 113 4.390 4.390 3.971 0.419 18487 5704 1 11 . 1 1 113 113 GLU CA C 113 56.025 56.025 58.722 -2.697 18487 5705 1 11 . 1 1 113 113 GLU CB C 113 30.403 30.403 29.810 0.593 18487 5706 1 11 . 1 1 113 113 GLU H H 113 8.166 8.166 8.687 -0.521 18487 5707 1 11 . 1 1 114 114 ASP N N 114 121.457 121.457 115.341 6.116 18487 5708 1 11 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.606 0.019 18487 5709 1 11 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.806 1.269 18487 5710 1 11 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.451 -0.454 18487 5711 1 11 . 1 1 114 114 ASP H H 114 8.560 8.560 7.645 0.915 18487 5712 1 11 . 1 1 115 115 VAL N N 115 120.645 120.645 121.344 -0.699 18487 5713 1 11 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.120 -0.041 18487 5714 1 11 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.109 0.409 18487 5715 1 11 . 1 1 115 115 VAL CB C 115 31.833 31.833 33.597 -1.764 18487 5716 1 11 . 1 1 115 115 VAL H H 115 8.659 8.659 7.990 0.669 18487 5717 1 11 . 1 1 116 116 ILE N N 116 120.775 120.775 118.681 2.094 18487 5718 1 11 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.371 0.292 18487 5719 1 11 . 1 1 116 116 ILE CA C 116 59.736 59.736 60.539 -0.803 18487 5720 1 11 . 1 1 116 116 ILE CB C 116 39.798 39.798 40.162 -0.364 18487 5721 1 11 . 1 1 116 116 ILE H H 116 7.881 7.881 7.355 0.526 18487 5722 1 11 . 1 1 117 117 SER N N 117 121.192 121.192 124.283 -3.091 18487 5723 1 11 . 1 1 117 117 SER HA H 117 4.641 4.641 4.541 0.100 18487 5724 1 11 . 1 1 117 117 SER CA C 117 57.846 57.846 57.846 -0.000 18487 5725 1 11 . 1 1 117 117 SER CB C 117 63.962 63.962 62.254 1.708 18487 5726 1 11 . 1 1 117 117 SER H H 117 8.767 8.767 8.895 -0.128 18487 5727 1 11 . 1 1 118 118 LYS N N 118 124.317 124.317 125.825 -1.508 18487 5728 1 11 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.396 -0.040 18487 5729 1 11 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.476 1.061 18487 5730 1 11 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.486 0.564 18487 5731 1 11 . 1 1 118 118 LYS H H 118 8.633 8.633 7.778 0.855 18487 5732 1 12 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.890 -0.210 18487 5733 1 12 . 1 1 11 11 MET N N 11 120.918 120.918 121.964 -1.046 18487 5734 1 12 . 1 1 11 11 MET HA H 11 4.435 4.435 4.737 -0.302 18487 5735 1 12 . 1 1 11 11 MET CA C 11 55.736 55.736 55.260 0.477 18487 5736 1 12 . 1 1 11 11 MET CB C 11 32.501 32.501 33.441 -0.940 18487 5737 1 12 . 1 1 11 11 MET H H 11 8.289 8.289 8.357 -0.068 18487 5738 1 12 . 1 1 12 12 ASN N N 12 120.356 120.356 122.301 -1.945 18487 5739 1 12 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.997 -0.239 18487 5740 1 12 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.433 0.055 18487 5741 1 12 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.339 -0.763 18487 5742 1 12 . 1 1 12 12 ASN H H 12 8.583 8.583 8.657 -0.074 18487 5743 1 12 . 1 1 13 13 SER N N 13 116.582 116.582 118.769 -2.187 18487 5744 1 12 . 1 1 13 13 SER HA H 13 4.378 4.378 4.610 -0.232 18487 5745 1 12 . 1 1 13 13 SER CA C 13 58.842 58.842 58.310 0.532 18487 5746 1 12 . 1 1 13 13 SER CB C 13 63.403 63.403 63.275 0.128 18487 5747 1 12 . 1 1 13 13 SER H H 13 8.319 8.319 8.534 -0.215 18487 5748 1 12 . 1 1 14 14 GLN N N 14 121.369 121.369 123.208 -1.839 18487 5749 1 12 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.553 -0.235 18487 5750 1 12 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.586 0.513 18487 5751 1 12 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.646 -0.702 18487 5752 1 12 . 1 1 14 14 GLN H H 14 8.365 8.365 8.451 -0.086 18487 5753 1 12 . 1 1 15 15 ARG N N 15 121.565 121.565 120.482 1.083 18487 5754 1 12 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.731 -0.417 18487 5755 1 12 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.317 0.571 18487 5756 1 12 . 1 1 15 15 ARG CB C 15 30.427 30.427 31.228 -0.801 18487 5757 1 12 . 1 1 15 15 ARG H H 15 8.084 8.084 8.451 -0.367 18487 5758 1 12 . 1 1 16 16 LEU N N 16 123.810 123.810 120.841 2.969 18487 5759 1 12 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.724 -0.381 18487 5760 1 12 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.505 1.135 18487 5761 1 12 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.336 -2.274 18487 5762 1 12 . 1 1 16 16 LEU H H 16 8.254 8.254 8.438 -0.184 18487 5763 1 12 . 1 1 17 17 ILE N N 17 122.996 122.996 121.372 1.624 18487 5764 1 12 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.269 -0.115 18487 5765 1 12 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.551 -0.337 18487 5766 1 12 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.740 0.044 18487 5767 1 12 . 1 1 17 17 ILE H H 17 8.006 8.006 8.096 -0.090 18487 5768 1 12 . 1 1 18 18 HIS N N 18 126.123 126.123 126.042 0.081 18487 5769 1 12 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.693 0.152 18487 5770 1 12 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.137 -0.932 18487 5771 1 12 . 1 1 18 18 HIS CB C 18 30.197 30.197 31.130 -0.933 18487 5772 1 12 . 1 1 18 18 HIS H H 18 9.025 9.025 8.629 0.396 18487 5773 1 12 . 1 1 19 19 ILE N N 19 124.783 124.783 124.070 0.713 18487 5774 1 12 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.644 0.346 18487 5775 1 12 . 1 1 19 19 ILE CA C 19 57.508 57.508 59.184 -1.676 18487 5776 1 12 . 1 1 19 19 ILE CB C 19 38.350 38.350 39.909 -1.559 18487 5777 1 12 . 1 1 19 19 ILE H H 19 8.485 8.485 8.520 -0.035 18487 5778 1 12 . 1 1 20 20 LYS N N 20 128.184 128.184 128.430 -0.246 18487 5779 1 12 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.578 0.181 18487 5780 1 12 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.974 -0.845 18487 5781 1 12 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.387 1.254 18487 5782 1 12 . 1 1 20 20 LYS H H 20 9.253 9.253 8.825 0.428 18487 5783 1 12 . 1 1 21 21 THR N N 21 114.649 114.649 122.748 -8.099 18487 5784 1 12 . 1 1 21 21 THR HA H 21 4.930 4.930 4.577 0.353 18487 5785 1 12 . 1 1 21 21 THR CA C 21 60.191 60.191 61.822 -1.631 18487 5786 1 12 . 1 1 21 21 THR CB C 21 69.966 69.966 68.625 1.341 18487 5787 1 12 . 1 1 21 21 THR H H 21 8.232 8.232 8.435 -0.203 18487 5788 1 12 . 1 1 22 22 LEU N N 22 125.973 125.973 127.994 -2.021 18487 5789 1 12 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.598 0.081 18487 5790 1 12 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.510 0.243 18487 5791 1 12 . 1 1 22 22 LEU CB C 22 45.134 45.134 43.702 1.432 18487 5792 1 12 . 1 1 22 22 LEU H H 22 9.156 9.156 8.230 0.926 18487 5793 1 12 . 1 1 23 23 THR N N 23 112.582 112.582 113.405 -0.823 18487 5794 1 12 . 1 1 23 23 THR HA H 23 4.281 4.281 4.145 0.136 18487 5795 1 12 . 1 1 23 23 THR CA C 23 61.474 61.474 62.091 -0.617 18487 5796 1 12 . 1 1 23 23 THR CB C 23 69.759 69.759 69.065 0.694 18487 5797 1 12 . 1 1 23 23 THR H H 23 7.912 7.912 8.382 -0.470 18487 5798 1 12 . 1 1 24 24 THR N N 24 112.952 112.952 119.080 -6.128 18487 5799 1 12 . 1 1 24 24 THR HA H 24 5.040 5.040 4.617 0.423 18487 5800 1 12 . 1 1 24 24 THR CA C 24 60.000 60.000 58.659 1.341 18487 5801 1 12 . 1 1 24 24 THR CB C 24 69.872 69.872 69.487 0.385 18487 5802 1 12 . 1 1 24 24 THR H H 24 8.793 8.793 8.048 0.745 18487 5803 1 12 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.501 -0.056 18487 5804 1 12 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.309 1.013 18487 5805 1 12 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.963 -0.383 18487 5806 1 12 . 1 1 26 26 ASN N N 26 115.534 115.534 118.824 -3.290 18487 5807 1 12 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.789 0.146 18487 5808 1 12 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.384 -1.347 18487 5809 1 12 . 1 1 26 26 ASN CB C 26 39.722 39.722 38.938 0.784 18487 5810 1 12 . 1 1 26 26 ASN H H 26 7.774 7.774 8.106 -0.332 18487 5811 1 12 . 1 1 27 27 GLU N N 27 127.099 127.099 126.496 0.603 18487 5812 1 12 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.400 0.010 18487 5813 1 12 . 1 1 27 27 GLU CA C 27 58.958 58.958 57.221 1.737 18487 5814 1 12 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.351 -1.246 18487 5815 1 12 . 1 1 27 27 GLU H H 27 9.428 9.428 8.788 0.640 18487 5816 1 12 . 1 1 28 28 ASN N N 28 115.176 115.176 117.607 -2.431 18487 5817 1 12 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.457 0.529 18487 5818 1 12 . 1 1 28 28 ASN CA C 28 53.784 53.784 54.294 -0.510 18487 5819 1 12 . 1 1 28 28 ASN CB C 28 38.545 38.545 37.875 0.670 18487 5820 1 12 . 1 1 28 28 ASN H H 28 8.591 8.591 9.014 -0.423 18487 5821 1 12 . 1 1 29 29 ALA N N 29 123.317 123.317 119.398 3.919 18487 5822 1 12 . 1 1 29 29 ALA HA H 29 6.376 6.376 6.046 0.330 18487 5823 1 12 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.159 0.151 18487 5824 1 12 . 1 1 29 29 ALA CB C 29 22.158 22.158 23.093 -0.935 18487 5825 1 12 . 1 1 29 29 ALA H H 29 8.210 8.210 7.631 0.579 18487 5826 1 12 . 1 1 30 30 LEU N N 30 124.426 124.426 123.071 1.355 18487 5827 1 12 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.555 -0.047 18487 5828 1 12 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.404 -0.744 18487 5829 1 12 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.743 -0.192 18487 5830 1 12 . 1 1 30 30 LEU H H 30 8.550 8.550 8.185 0.365 18487 5831 1 12 . 1 1 31 31 LYS N N 31 123.555 123.555 125.078 -1.523 18487 5832 1 12 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.681 0.458 18487 5833 1 12 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.821 -0.737 18487 5834 1 12 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.269 1.902 18487 5835 1 12 . 1 1 31 31 LYS H H 31 8.169 8.169 7.918 0.251 18487 5836 1 12 . 1 1 32 32 PHE N N 32 124.529 124.529 125.494 -0.965 18487 5837 1 12 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.667 0.308 18487 5838 1 12 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.047 -0.573 18487 5839 1 12 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.201 -0.124 18487 5840 1 12 . 1 1 32 32 PHE H H 32 9.634 9.634 9.086 0.548 18487 5841 1 12 . 1 1 33 33 LEU N N 33 122.712 122.712 126.106 -3.394 18487 5842 1 12 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.091 -0.027 18487 5843 1 12 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.104 1.283 18487 5844 1 12 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.462 0.364 18487 5845 1 12 . 1 1 33 33 LEU H H 33 9.174 9.174 9.146 0.028 18487 5846 1 12 . 1 1 34 34 SER N N 34 117.120 117.120 123.131 -6.011 18487 5847 1 12 . 1 1 34 34 SER HA H 34 5.116 5.116 4.682 0.434 18487 5848 1 12 . 1 1 34 34 SER CA C 34 56.626 56.626 59.508 -2.882 18487 5849 1 12 . 1 1 34 34 SER CB C 34 64.053 64.053 62.748 1.305 18487 5850 1 12 . 1 1 34 34 SER H H 34 8.979 8.979 8.786 0.193 18487 5851 1 12 . 1 1 35 35 THR N N 35 117.097 117.097 115.412 1.685 18487 5852 1 12 . 1 1 35 35 THR HA H 35 4.460 4.460 4.570 -0.110 18487 5853 1 12 . 1 1 35 35 THR CA C 35 62.944 62.944 61.201 1.743 18487 5854 1 12 . 1 1 35 35 THR CB C 35 69.779 69.779 69.835 -0.056 18487 5855 1 12 . 1 1 35 35 THR H H 35 8.646 8.646 8.260 0.386 18487 5856 1 12 . 1 1 36 36 ASP N N 36 120.039 120.039 121.197 -1.158 18487 5857 1 12 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.547 0.308 18487 5858 1 12 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.486 -0.745 18487 5859 1 12 . 1 1 36 36 ASP CB C 36 41.519 41.519 40.989 0.530 18487 5860 1 12 . 1 1 36 36 ASP H H 36 8.711 8.711 8.045 0.666 18487 5861 1 12 . 1 1 37 37 GLY N N 37 107.015 107.015 107.474 -0.459 18487 5862 1 12 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.715 0.914 18487 5863 1 12 . 1 1 37 37 GLY H H 37 8.020 8.020 8.360 -0.340 18487 5864 1 12 . 1 1 38 38 GLU N N 38 120.021 120.021 121.608 -1.587 18487 5865 1 12 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.527 -0.249 18487 5866 1 12 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.054 1.089 18487 5867 1 12 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.607 -1.290 18487 5868 1 12 . 1 1 38 38 GLU H H 38 8.101 8.101 8.183 -0.082 18487 5869 1 12 . 1 1 39 39 MET N N 39 121.372 121.372 119.025 2.347 18487 5870 1 12 . 1 1 39 39 MET HA H 39 4.799 4.799 4.671 0.128 18487 5871 1 12 . 1 1 39 39 MET CA C 39 54.229 54.229 54.286 -0.057 18487 5872 1 12 . 1 1 39 39 MET CB C 39 33.392 33.392 34.764 -1.372 18487 5873 1 12 . 1 1 39 39 MET H H 39 8.571 8.571 8.298 0.273 18487 5874 1 12 . 1 1 40 40 LEU N N 40 121.913 121.913 121.324 0.589 18487 5875 1 12 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.082 0.177 18487 5876 1 12 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.925 0.220 18487 5877 1 12 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.393 0.033 18487 5878 1 12 . 1 1 40 40 LEU H H 40 8.572 8.572 8.360 0.212 18487 5879 1 12 . 1 1 41 41 GLN N N 41 114.647 114.647 115.283 -0.636 18487 5880 1 12 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.475 0.193 18487 5881 1 12 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.752 -0.355 18487 5882 1 12 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.133 3.157 18487 5883 1 12 . 1 1 41 41 GLN H H 41 8.420 8.420 7.973 0.447 18487 5884 1 12 . 1 1 42 42 THR N N 42 111.706 111.706 119.674 -7.968 18487 5885 1 12 . 1 1 42 42 THR HA H 42 4.038 4.038 4.310 -0.272 18487 5886 1 12 . 1 1 42 42 THR CA C 42 63.082 63.082 63.407 -0.325 18487 5887 1 12 . 1 1 42 42 THR CB C 42 69.264 69.264 69.540 -0.276 18487 5888 1 12 . 1 1 42 42 THR H H 42 8.205 8.205 8.589 -0.384 18487 5889 1 12 . 1 1 43 43 ARG N N 43 126.367 126.367 123.634 2.733 18487 5890 1 12 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.255 -0.106 18487 5891 1 12 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.912 -0.479 18487 5892 1 12 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.334 -1.407 18487 5893 1 12 . 1 1 43 43 ARG H H 43 8.885 8.885 8.719 0.166 18487 5894 1 12 . 1 1 44 44 GLY N N 44 116.299 116.299 108.343 7.956 18487 5895 1 12 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.442 0.434 18487 5896 1 12 . 1 1 44 44 GLY H H 44 9.999 9.999 8.105 1.894 18487 5897 1 12 . 1 1 45 45 SER N N 45 117.374 117.374 115.295 2.079 18487 5898 1 12 . 1 1 45 45 SER HA H 45 4.316 4.316 4.951 -0.635 18487 5899 1 12 . 1 1 45 45 SER CA C 45 59.967 59.967 57.981 1.986 18487 5900 1 12 . 1 1 45 45 SER CB C 45 63.866 63.866 65.207 -1.341 18487 5901 1 12 . 1 1 45 45 SER H H 45 8.034 8.034 7.595 0.439 18487 5902 1 12 . 1 1 46 46 LYS N N 46 124.024 124.024 120.827 3.197 18487 5903 1 12 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.676 -0.419 18487 5904 1 12 . 1 1 46 46 LYS CA C 46 56.302 56.302 54.609 1.693 18487 5905 1 12 . 1 1 46 46 LYS CB C 46 32.677 32.677 34.314 -1.637 18487 5906 1 12 . 1 1 46 46 LYS H H 46 8.560 8.560 8.240 0.320 18487 5907 1 12 . 1 1 47 47 SER N N 47 119.851 119.851 116.654 3.197 18487 5908 1 12 . 1 1 47 47 SER HA H 47 4.824 4.824 4.781 0.043 18487 5909 1 12 . 1 1 47 47 SER CA C 47 57.920 57.920 57.780 0.140 18487 5910 1 12 . 1 1 47 47 SER CB C 47 63.770 63.770 62.005 1.765 18487 5911 1 12 . 1 1 47 47 SER H H 47 8.663 8.663 8.580 0.083 18487 5912 1 12 . 1 1 48 48 ILE N N 48 124.054 124.054 124.749 -0.695 18487 5913 1 12 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.023 0.334 18487 5914 1 12 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.741 -1.629 18487 5915 1 12 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.606 3.491 18487 5916 1 12 . 1 1 48 48 ILE H H 48 8.619 8.619 8.061 0.558 18487 5917 1 12 . 1 1 49 49 VAL N N 49 128.260 128.260 129.108 -0.848 18487 5918 1 12 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.735 -0.003 18487 5919 1 12 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.670 0.342 18487 5920 1 12 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.243 1.368 18487 5921 1 12 . 1 1 49 49 VAL H H 49 8.498 8.498 8.429 0.069 18487 5922 1 12 . 1 1 50 50 ILE N N 50 127.715 127.715 129.992 -2.277 18487 5923 1 12 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.320 0.183 18487 5924 1 12 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.423 1.067 18487 5925 1 12 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.735 1.728 18487 5926 1 12 . 1 1 50 50 ILE H H 50 9.236 9.236 8.552 0.684 18487 5927 1 12 . 1 1 51 51 LYS N N 51 127.422 127.422 127.492 -0.070 18487 5928 1 12 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.728 -0.068 18487 5929 1 12 . 1 1 51 51 LYS CA C 51 55.550 55.550 56.069 -0.519 18487 5930 1 12 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.723 0.220 18487 5931 1 12 . 1 1 51 51 LYS H H 51 9.673 9.673 8.356 1.317 18487 5932 1 12 . 1 1 52 52 ASN N N 52 117.981 117.981 120.156 -2.175 18487 5933 1 12 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.387 -0.639 18487 5934 1 12 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.026 0.141 18487 5935 1 12 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.545 -1.162 18487 5936 1 12 . 1 1 52 52 ASN H H 52 8.119 8.119 9.006 -0.887 18487 5937 1 12 . 1 1 53 53 THR N N 53 105.425 105.425 112.471 -7.046 18487 5938 1 12 . 1 1 53 53 THR HA H 53 4.218 4.218 4.269 -0.051 18487 5939 1 12 . 1 1 53 53 THR CA C 53 60.619 60.619 63.113 -2.494 18487 5940 1 12 . 1 1 53 53 THR CB C 53 69.221 69.221 69.010 0.211 18487 5941 1 12 . 1 1 53 53 THR H H 53 6.908 6.908 8.055 -1.147 18487 5942 1 12 . 1 1 54 54 ASP N N 54 125.547 125.547 123.984 1.563 18487 5943 1 12 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.793 0.173 18487 5944 1 12 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.138 -0.625 18487 5945 1 12 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.811 0.145 18487 5946 1 12 . 1 1 54 54 ASP H H 54 7.811 7.811 7.637 0.174 18487 5947 1 12 . 1 1 55 55 GLU N N 55 123.946 123.946 123.304 0.642 18487 5948 1 12 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.811 0.012 18487 5949 1 12 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.847 0.277 18487 5950 1 12 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.852 0.079 18487 5951 1 12 . 1 1 55 55 GLU H H 55 7.919 7.919 7.694 0.225 18487 5952 1 12 . 1 1 56 56 ASN N N 56 115.295 115.295 116.653 -1.358 18487 5953 1 12 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.320 0.234 18487 5954 1 12 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.501 0.607 18487 5955 1 12 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.748 0.519 18487 5956 1 12 . 1 1 56 56 ASN H H 56 8.728 8.728 8.542 0.186 18487 5957 1 12 . 1 1 57 57 LEU N N 57 120.223 120.223 119.326 0.897 18487 5958 1 12 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.197 0.038 18487 5959 1 12 . 1 1 57 57 LEU CA C 57 57.589 57.589 56.687 0.902 18487 5960 1 12 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.235 0.677 18487 5961 1 12 . 1 1 57 57 LEU H H 57 7.621 7.621 7.404 0.217 18487 5962 1 12 . 1 1 58 58 ILE N N 58 120.489 120.489 119.786 0.703 18487 5963 1 12 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.712 -0.176 18487 5964 1 12 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.103 1.236 18487 5965 1 12 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.505 0.888 18487 5966 1 12 . 1 1 58 58 ILE H H 58 8.461 8.461 7.999 0.462 18487 5967 1 12 . 1 1 59 59 ASN N N 59 114.873 114.873 117.954 -3.081 18487 5968 1 12 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.465 0.013 18487 5969 1 12 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.200 -0.245 18487 5970 1 12 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.473 -0.438 18487 5971 1 12 . 1 1 59 59 ASN H H 59 7.958 7.958 8.195 -0.237 18487 5972 1 12 . 1 1 60 60 HIS N N 60 115.059 115.059 114.627 0.432 18487 5973 1 12 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.507 0.261 18487 5974 1 12 . 1 1 60 60 HIS CA C 60 56.337 56.337 56.894 -0.556 18487 5975 1 12 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.520 -0.704 18487 5976 1 12 . 1 1 60 60 HIS H H 60 7.633 7.633 7.194 0.439 18487 5977 1 12 . 1 1 61 61 SER N N 61 115.447 115.447 113.055 2.392 18487 5978 1 12 . 1 1 61 61 SER HA H 61 5.135 5.135 5.161 -0.026 18487 5979 1 12 . 1 1 61 61 SER CA C 61 56.072 56.072 55.888 0.184 18487 5980 1 12 . 1 1 61 61 SER CB C 61 63.806 63.806 64.135 -0.328 18487 5981 1 12 . 1 1 61 61 SER H H 61 7.849 7.849 7.681 0.168 18487 5982 1 12 . 1 1 62 62 LYS N N 62 132.090 132.090 130.328 1.762 18487 5983 1 12 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.050 -0.006 18487 5984 1 12 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.028 0.517 18487 5985 1 12 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.198 -0.659 18487 5986 1 12 . 1 1 62 62 LYS H H 62 9.021 9.021 8.880 0.141 18487 5987 1 12 . 1 1 63 63 LEU N N 63 118.793 118.793 118.821 -0.028 18487 5988 1 12 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.067 0.059 18487 5989 1 12 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.821 -0.171 18487 5990 1 12 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.495 0.284 18487 5991 1 12 . 1 1 63 63 LEU H H 63 8.567 8.567 8.155 0.412 18487 5992 1 12 . 1 1 64 64 ALA N N 64 118.752 118.752 120.566 -1.814 18487 5993 1 12 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.814 -0.194 18487 5994 1 12 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.126 -0.069 18487 5995 1 12 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.332 0.253 18487 5996 1 12 . 1 1 64 64 ALA H H 64 7.645 7.645 7.630 0.015 18487 5997 1 12 . 1 1 65 65 GLN N N 65 115.176 115.176 118.190 -3.014 18487 5998 1 12 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.974 -0.028 18487 5999 1 12 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.219 0.038 18487 6000 1 12 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.520 0.080 18487 6001 1 12 . 1 1 65 65 GLN H H 65 8.539 8.539 8.003 0.536 18487 6002 1 12 . 1 1 66 66 GLN N N 66 115.801 115.801 118.304 -2.503 18487 6003 1 12 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.093 -0.027 18487 6004 1 12 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.370 0.190 18487 6005 1 12 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.370 1.127 18487 6006 1 12 . 1 1 66 66 GLN H H 66 8.125 8.125 7.824 0.301 18487 6007 1 12 . 1 1 67 67 ILE N N 67 119.874 119.874 120.473 -0.599 18487 6008 1 12 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.564 -0.227 18487 6009 1 12 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.424 0.619 18487 6010 1 12 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.680 -0.762 18487 6011 1 12 . 1 1 67 67 ILE H H 67 8.281 8.281 7.860 0.421 18487 6012 1 12 . 1 1 68 68 PHE N N 68 114.873 114.873 117.383 -2.510 18487 6013 1 12 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.523 -0.028 18487 6014 1 12 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.848 -0.157 18487 6015 1 12 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.275 -0.627 18487 6016 1 12 . 1 1 68 68 PHE H H 68 8.255 8.255 7.920 0.335 18487 6017 1 12 . 1 1 69 69 LEU N N 69 117.763 117.763 120.734 -2.971 18487 6018 1 12 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.047 0.248 18487 6019 1 12 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.873 -0.537 18487 6020 1 12 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.022 1.106 18487 6021 1 12 . 1 1 69 69 LEU H H 69 7.747 7.747 7.825 -0.078 18487 6022 1 12 . 1 1 70 70 GLN N N 70 115.040 115.040 116.995 -1.955 18487 6023 1 12 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.190 0.122 18487 6024 1 12 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.806 -0.576 18487 6025 1 12 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.177 -0.155 18487 6026 1 12 . 1 1 70 70 GLN H H 70 8.308 8.308 8.181 0.127 18487 6027 1 12 . 1 1 71 71 CYS N N 71 115.881 115.881 118.662 -2.781 18487 6028 1 12 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.911 0.047 18487 6029 1 12 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.318 0.083 18487 6030 1 12 . 1 1 71 71 CYS CB C 71 28.735 28.735 28.378 0.357 18487 6031 1 12 . 1 1 71 71 CYS H H 71 8.242 8.242 8.045 0.197 18487 6032 1 12 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.690 -0.127 18487 6033 1 12 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.820 0.189 18487 6034 1 12 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.292 -0.881 18487 6035 1 12 . 1 1 73 73 GLY N N 73 106.975 106.975 107.390 -0.415 18487 6036 1 12 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.724 0.555 18487 6037 1 12 . 1 1 73 73 GLY H H 73 8.657 8.657 8.449 0.208 18487 6038 1 12 . 1 1 74 74 VAL N N 74 119.448 119.448 121.701 -2.253 18487 6039 1 12 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.840 0.140 18487 6040 1 12 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.657 0.144 18487 6041 1 12 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.648 -0.148 18487 6042 1 12 . 1 1 74 74 VAL H H 74 7.747 7.747 7.262 0.485 18487 6043 1 12 . 1 1 75 75 GLU N N 75 129.063 129.063 126.273 2.790 18487 6044 1 12 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.345 0.122 18487 6045 1 12 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.565 0.465 18487 6046 1 12 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.076 0.536 18487 6047 1 12 . 1 1 75 75 GLU H H 75 8.994 8.994 8.557 0.437 18487 6048 1 12 . 1 1 76 76 SER N N 76 110.068 110.068 113.685 -3.617 18487 6049 1 12 . 1 1 76 76 SER HA H 76 5.283 5.283 5.507 -0.224 18487 6050 1 12 . 1 1 76 76 SER CA C 76 57.395 57.395 57.940 -0.545 18487 6051 1 12 . 1 1 76 76 SER CB C 76 65.281 65.281 66.022 -0.741 18487 6052 1 12 . 1 1 76 76 SER H H 76 8.306 8.306 8.150 0.156 18487 6053 1 12 . 1 1 77 77 LEU N N 77 117.334 117.334 122.265 -4.931 18487 6054 1 12 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.883 0.518 18487 6055 1 12 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.816 -0.235 18487 6056 1 12 . 1 1 77 77 LEU CB C 77 46.173 46.173 46.402 -0.229 18487 6057 1 12 . 1 1 77 77 LEU H H 77 9.250 9.250 8.927 0.323 18487 6058 1 12 . 1 1 78 78 MET N N 78 121.119 121.119 122.247 -1.128 18487 6059 1 12 . 1 1 78 78 MET HA H 78 5.367 5.367 5.075 0.292 18487 6060 1 12 . 1 1 78 78 MET CA C 78 53.966 53.966 54.143 -0.177 18487 6061 1 12 . 1 1 78 78 MET CB C 78 36.374 36.374 34.998 1.375 18487 6062 1 12 . 1 1 78 78 MET H H 78 9.333 9.333 8.720 0.613 18487 6063 1 12 . 1 1 79 79 ILE N N 79 127.512 127.512 126.791 0.721 18487 6064 1 12 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.323 -0.331 18487 6065 1 12 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.299 2.327 18487 6066 1 12 . 1 1 79 79 ILE CB C 79 38.387 38.387 37.645 0.742 18487 6067 1 12 . 1 1 79 79 ILE H H 79 9.396 9.396 8.484 0.912 18487 6068 1 12 . 1 1 80 80 GLY N N 80 117.437 117.437 112.806 4.631 18487 6069 1 12 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.984 0.626 18487 6070 1 12 . 1 1 80 80 GLY H H 80 7.916 7.916 7.874 0.042 18487 6071 1 12 . 1 1 81 81 ASP N N 81 118.860 118.860 118.513 0.347 18487 6072 1 12 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.509 0.164 18487 6073 1 12 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.320 -2.286 18487 6074 1 12 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.237 -1.563 18487 6075 1 12 . 1 1 81 81 ASP H H 81 7.983 7.983 8.222 -0.239 18487 6076 1 12 . 1 1 82 82 ASP N N 82 118.682 118.682 114.554 4.128 18487 6077 1 12 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.844 -0.025 18487 6078 1 12 . 1 1 82 82 ASP CA C 82 52.138 52.138 54.134 -1.996 18487 6079 1 12 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.944 -0.950 18487 6080 1 12 . 1 1 82 82 ASP H H 82 9.164 9.164 8.753 0.411 18487 6081 1 12 . 1 1 83 83 PHE N N 83 110.898 110.898 115.076 -4.178 18487 6082 1 12 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.801 0.049 18487 6083 1 12 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.398 -0.433 18487 6084 1 12 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.246 0.500 18487 6085 1 12 . 1 1 83 83 PHE H H 83 6.887 6.887 7.285 -0.398 18487 6086 1 12 . 1 1 84 84 LEU N N 84 121.119 121.119 122.005 -0.886 18487 6087 1 12 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.149 0.084 18487 6088 1 12 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.998 -1.032 18487 6089 1 12 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.632 1.776 18487 6090 1 12 . 1 1 84 84 LEU H H 84 9.118 9.118 8.803 0.315 18487 6091 1 12 . 1 1 85 85 THR N N 85 125.430 125.430 125.324 0.106 18487 6092 1 12 . 1 1 85 85 THR HA H 85 5.639 5.639 5.320 0.319 18487 6093 1 12 . 1 1 85 85 THR CA C 85 61.743 61.743 61.959 -0.216 18487 6094 1 12 . 1 1 85 85 THR CB C 85 69.835 69.835 69.353 0.482 18487 6095 1 12 . 1 1 85 85 THR H H 85 9.780 9.780 9.058 0.722 18487 6096 1 12 . 1 1 86 86 ILE N N 86 126.778 126.778 128.887 -2.109 18487 6097 1 12 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.229 0.482 18487 6098 1 12 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.906 -2.201 18487 6099 1 12 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.437 1.907 18487 6100 1 12 . 1 1 86 86 ILE H H 86 9.151 9.151 8.651 0.500 18487 6101 1 12 . 1 1 87 87 ASN N N 87 124.785 124.785 127.808 -3.023 18487 6102 1 12 . 1 1 87 87 ASN HA H 87 6.026 6.026 6.053 -0.027 18487 6103 1 12 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.317 -0.285 18487 6104 1 12 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.170 -1.491 18487 6105 1 12 . 1 1 87 87 ASN H H 87 8.680 8.680 8.745 -0.065 18487 6106 1 12 . 1 1 88 88 LYS N N 88 122.617 122.617 123.287 -0.670 18487 6107 1 12 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.814 0.425 18487 6108 1 12 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.475 0.039 18487 6109 1 12 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.984 1.271 18487 6110 1 12 . 1 1 88 88 LYS H H 88 9.361 9.361 7.987 1.374 18487 6111 1 12 . 1 1 89 89 ASP N N 89 121.211 121.211 119.989 1.222 18487 6112 1 12 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.616 -0.155 18487 6113 1 12 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.804 0.090 18487 6114 1 12 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.776 -0.032 18487 6115 1 12 . 1 1 89 89 ASP H H 89 8.454 8.454 8.163 0.291 18487 6116 1 12 . 1 1 90 90 ARG N N 90 124.551 124.551 124.258 0.293 18487 6117 1 12 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.225 -0.151 18487 6118 1 12 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.276 -0.167 18487 6119 1 12 . 1 1 90 90 ARG CB C 90 29.895 29.895 30.191 -0.296 18487 6120 1 12 . 1 1 90 90 ARG H H 90 8.475 8.475 8.680 -0.205 18487 6121 1 12 . 1 1 91 91 MET N N 91 115.821 115.821 116.853 -1.032 18487 6122 1 12 . 1 1 91 91 MET HA H 91 4.424 4.424 4.303 0.121 18487 6123 1 12 . 1 1 91 91 MET CA C 91 55.206 55.206 56.690 -1.484 18487 6124 1 12 . 1 1 91 91 MET CB C 91 31.307 31.307 33.159 -1.852 18487 6125 1 12 . 1 1 91 91 MET H H 91 8.725 8.725 7.484 1.241 18487 6126 1 12 . 1 1 92 92 VAL N N 92 119.922 119.922 118.837 1.085 18487 6127 1 12 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.960 0.146 18487 6128 1 12 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.086 -0.028 18487 6129 1 12 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.434 0.709 18487 6130 1 12 . 1 1 92 92 VAL H H 92 7.348 7.348 7.158 0.190 18487 6131 1 12 . 1 1 93 93 HIS N N 93 125.619 125.619 125.249 0.370 18487 6132 1 12 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.670 -0.074 18487 6133 1 12 . 1 1 93 93 HIS CA C 93 55.394 55.394 54.904 0.490 18487 6134 1 12 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.538 0.120 18487 6135 1 12 . 1 1 93 93 HIS H H 93 8.851 8.851 8.148 0.703 18487 6136 1 12 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.357 0.643 18487 6137 1 12 . 1 1 94 94 TRP CA C 94 60.000 60.000 61.018 -1.018 18487 6138 1 12 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.420 0.580 18487 6139 1 12 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.591 0.106 18487 6140 1 12 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.669 0.358 18487 6141 1 12 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.695 -0.544 18487 6142 1 12 . 1 1 96 96 SER N N 96 113.047 113.047 113.847 -0.800 18487 6143 1 12 . 1 1 96 96 SER HA H 96 4.628 4.628 4.562 0.066 18487 6144 1 12 . 1 1 96 96 SER CA C 96 60.183 60.183 60.064 0.119 18487 6145 1 12 . 1 1 96 96 SER CB C 96 63.901 63.901 64.167 -0.266 18487 6146 1 12 . 1 1 96 96 SER H H 96 8.064 8.064 7.792 0.272 18487 6147 1 12 . 1 1 97 97 ILE N N 97 116.621 116.621 121.442 -4.821 18487 6148 1 12 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.171 0.471 18487 6149 1 12 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.477 -0.699 18487 6150 1 12 . 1 1 97 97 ILE CB C 97 42.427 42.427 39.234 3.193 18487 6151 1 12 . 1 1 97 97 ILE H H 97 7.705 7.705 7.673 0.032 18487 6152 1 12 . 1 1 98 98 LYS N N 98 120.198 120.198 120.507 -0.309 18487 6153 1 12 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.553 -0.296 18487 6154 1 12 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.515 0.198 18487 6155 1 12 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.365 0.608 18487 6156 1 12 . 1 1 98 98 LYS H H 98 9.132 9.132 8.643 0.489 18487 6157 1 12 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.293 -0.009 18487 6158 1 12 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.185 0.149 18487 6159 1 12 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.972 -0.571 18487 6160 1 12 . 1 1 100 100 GLU N N 100 117.097 117.097 118.555 -1.458 18487 6161 1 12 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.109 0.043 18487 6162 1 12 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.213 -0.394 18487 6163 1 12 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.706 0.710 18487 6164 1 12 . 1 1 100 100 GLU H H 100 7.447 7.447 8.001 -0.554 18487 6165 1 12 . 1 1 101 101 ILE N N 101 118.326 118.326 119.747 -1.421 18487 6166 1 12 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.663 -0.299 18487 6167 1 12 . 1 1 101 101 ILE CA C 101 63.361 63.361 64.390 -1.029 18487 6168 1 12 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.393 -1.544 18487 6169 1 12 . 1 1 101 101 ILE H H 101 7.896 7.896 7.675 0.221 18487 6170 1 12 . 1 1 102 102 ILE N N 102 118.368 118.368 121.325 -2.957 18487 6171 1 12 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.590 -0.182 18487 6172 1 12 . 1 1 102 102 ILE CA C 102 66.246 66.246 66.182 0.064 18487 6173 1 12 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.748 -0.508 18487 6174 1 12 . 1 1 102 102 ILE H H 102 8.243 8.243 8.385 -0.142 18487 6175 1 12 . 1 1 103 103 ASP N N 103 122.381 122.381 120.012 2.369 18487 6176 1 12 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.362 0.016 18487 6177 1 12 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.537 0.445 18487 6178 1 12 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.884 0.650 18487 6179 1 12 . 1 1 103 103 ASP H H 103 7.900 7.900 7.770 0.130 18487 6180 1 12 . 1 1 104 104 LEU N N 104 119.007 119.007 119.838 -0.831 18487 6181 1 12 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.983 0.015 18487 6182 1 12 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.817 -0.078 18487 6183 1 12 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.788 0.353 18487 6184 1 12 . 1 1 104 104 LEU H H 104 8.261 8.261 7.747 0.514 18487 6185 1 12 . 1 1 105 105 LEU N N 105 120.443 120.443 119.085 1.358 18487 6186 1 12 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.043 -0.056 18487 6187 1 12 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.518 -1.017 18487 6188 1 12 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.078 1.009 18487 6189 1 12 . 1 1 105 105 LEU H H 105 9.022 9.022 8.168 0.854 18487 6190 1 12 . 1 1 106 106 THR N N 106 114.821 114.821 114.299 0.522 18487 6191 1 12 . 1 1 106 106 THR HA H 106 3.698 3.698 4.048 -0.350 18487 6192 1 12 . 1 1 106 106 THR CA C 106 67.610 67.610 66.606 1.004 18487 6193 1 12 . 1 1 106 106 THR CB C 106 68.325 68.325 68.526 -0.201 18487 6194 1 12 . 1 1 106 106 THR H H 106 8.273 8.273 7.267 1.006 18487 6195 1 12 . 1 1 107 107 LYS N N 107 120.049 120.049 121.496 -1.447 18487 6196 1 12 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.715 0.192 18487 6197 1 12 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.996 0.459 18487 6198 1 12 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.788 0.574 18487 6199 1 12 . 1 1 107 107 LYS H H 107 7.691 7.691 7.797 -0.106 18487 6200 1 12 . 1 1 108 108 GLN N N 108 118.375 118.375 119.133 -0.758 18487 6201 1 12 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.107 -0.089 18487 6202 1 12 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.781 -0.798 18487 6203 1 12 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.563 -0.908 18487 6204 1 12 . 1 1 108 108 GLN H H 108 7.888 7.888 8.039 -0.151 18487 6205 1 12 . 1 1 109 109 LEU N N 109 118.066 118.066 116.912 1.154 18487 6206 1 12 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.154 0.028 18487 6207 1 12 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.426 0.041 18487 6208 1 12 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.454 0.356 18487 6209 1 12 . 1 1 109 109 LEU H H 109 8.269 8.269 7.618 0.651 18487 6210 1 12 . 1 1 110 110 ALA N N 110 120.909 120.909 121.572 -0.663 18487 6211 1 12 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.127 -0.095 18487 6212 1 12 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.868 0.372 18487 6213 1 12 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.887 -0.220 18487 6214 1 12 . 1 1 110 110 ALA H H 110 8.171 8.171 7.237 0.934 18487 6215 1 12 . 1 1 111 111 TYR N N 111 114.611 114.611 117.443 -2.832 18487 6216 1 12 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.732 -0.090 18487 6217 1 12 . 1 1 111 111 TYR CA C 111 57.927 57.927 57.925 0.002 18487 6218 1 12 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.052 -0.580 18487 6219 1 12 . 1 1 111 111 TYR H H 111 7.763 7.763 7.965 -0.202 18487 6220 1 12 . 1 1 112 112 GLY N N 112 107.916 107.916 107.228 0.688 18487 6221 1 12 . 1 1 112 112 GLY CA C 112 46.208 46.208 44.953 1.255 18487 6222 1 12 . 1 1 112 112 GLY H H 112 7.941 7.941 7.941 -0.000 18487 6223 1 12 . 1 1 113 113 GLU N N 113 119.571 119.571 118.091 1.480 18487 6224 1 12 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.437 -0.047 18487 6225 1 12 . 1 1 113 113 GLU CA C 113 56.025 56.025 56.090 -0.065 18487 6226 1 12 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.013 -0.610 18487 6227 1 12 . 1 1 113 113 GLU H H 113 8.166 8.166 8.106 0.060 18487 6228 1 12 . 1 1 114 114 ASP N N 114 121.457 121.457 121.411 0.046 18487 6229 1 12 . 1 1 114 114 ASP HA H 114 4.625 4.625 5.015 -0.390 18487 6230 1 12 . 1 1 114 114 ASP CA C 114 55.075 55.075 53.122 1.953 18487 6231 1 12 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.761 -1.764 18487 6232 1 12 . 1 1 114 114 ASP H H 114 8.560 8.560 7.914 0.646 18487 6233 1 12 . 1 1 115 115 VAL N N 115 120.645 120.645 120.485 0.160 18487 6234 1 12 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.964 0.115 18487 6235 1 12 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.982 -0.464 18487 6236 1 12 . 1 1 115 115 VAL CB C 115 31.833 31.833 33.092 -1.259 18487 6237 1 12 . 1 1 115 115 VAL H H 115 8.659 8.659 8.227 0.432 18487 6238 1 12 . 1 1 116 116 ILE N N 116 120.775 120.775 115.180 5.595 18487 6239 1 12 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.806 -0.143 18487 6240 1 12 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.008 0.728 18487 6241 1 12 . 1 1 116 116 ILE CB C 116 39.798 39.798 42.049 -2.251 18487 6242 1 12 . 1 1 116 116 ILE H H 116 7.881 7.881 7.543 0.338 18487 6243 1 12 . 1 1 117 117 SER N N 117 121.192 121.192 122.137 -0.945 18487 6244 1 12 . 1 1 117 117 SER HA H 117 4.641 4.641 4.457 0.184 18487 6245 1 12 . 1 1 117 117 SER CA C 117 57.846 57.846 57.713 0.133 18487 6246 1 12 . 1 1 117 117 SER CB C 117 63.962 63.962 62.206 1.756 18487 6247 1 12 . 1 1 117 117 SER H H 117 8.767 8.767 8.986 -0.219 18487 6248 1 12 . 1 1 118 118 LYS N N 118 124.317 124.317 126.920 -2.603 18487 6249 1 12 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.239 0.117 18487 6250 1 12 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.672 0.865 18487 6251 1 12 . 1 1 118 118 LYS CB C 118 33.050 33.050 31.502 1.548 18487 6252 1 12 . 1 1 118 118 LYS H H 118 8.633 8.633 7.927 0.706 18487 6253 1 13 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.852 -0.172 18487 6254 1 13 . 1 1 11 11 MET N N 11 120.918 120.918 120.008 0.910 18487 6255 1 13 . 1 1 11 11 MET HA H 11 4.435 4.435 4.543 -0.108 18487 6256 1 13 . 1 1 11 11 MET CA C 11 55.736 55.736 54.426 1.310 18487 6257 1 13 . 1 1 11 11 MET CB C 11 32.501 32.501 34.878 -2.377 18487 6258 1 13 . 1 1 11 11 MET H H 11 8.289 8.289 8.541 -0.252 18487 6259 1 13 . 1 1 12 12 ASN N N 12 120.356 120.356 124.941 -4.585 18487 6260 1 13 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.777 -0.019 18487 6261 1 13 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.803 -0.315 18487 6262 1 13 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.195 0.381 18487 6263 1 13 . 1 1 12 12 ASN H H 12 8.583 8.583 8.659 -0.076 18487 6264 1 13 . 1 1 13 13 SER N N 13 116.582 116.582 118.679 -2.097 18487 6265 1 13 . 1 1 13 13 SER HA H 13 4.378 4.378 4.472 -0.094 18487 6266 1 13 . 1 1 13 13 SER CA C 13 58.842 58.842 57.949 0.893 18487 6267 1 13 . 1 1 13 13 SER CB C 13 63.403 63.403 63.675 -0.272 18487 6268 1 13 . 1 1 13 13 SER H H 13 8.319 8.319 8.625 -0.306 18487 6269 1 13 . 1 1 14 14 GLN N N 14 121.369 121.369 122.610 -1.241 18487 6270 1 13 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.332 -0.014 18487 6271 1 13 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.709 0.390 18487 6272 1 13 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.535 0.409 18487 6273 1 13 . 1 1 14 14 GLN H H 14 8.365 8.365 8.280 0.085 18487 6274 1 13 . 1 1 15 15 ARG N N 15 121.565 121.565 124.800 -3.235 18487 6275 1 13 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.415 -0.101 18487 6276 1 13 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.568 -0.680 18487 6277 1 13 . 1 1 15 15 ARG CB C 15 30.427 30.427 31.020 -0.593 18487 6278 1 13 . 1 1 15 15 ARG H H 15 8.084 8.084 8.307 -0.223 18487 6279 1 13 . 1 1 16 16 LEU N N 16 123.810 123.810 118.307 5.503 18487 6280 1 13 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.820 -0.477 18487 6281 1 13 . 1 1 16 16 LEU CA C 16 54.640 54.640 52.823 1.817 18487 6282 1 13 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.709 -2.647 18487 6283 1 13 . 1 1 16 16 LEU H H 16 8.254 8.254 8.285 -0.031 18487 6284 1 13 . 1 1 17 17 ILE N N 17 122.996 122.996 119.103 3.893 18487 6285 1 13 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.414 -0.260 18487 6286 1 13 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.119 0.095 18487 6287 1 13 . 1 1 17 17 ILE CB C 17 38.784 38.784 36.989 1.795 18487 6288 1 13 . 1 1 17 17 ILE H H 17 8.006 8.006 8.272 -0.266 18487 6289 1 13 . 1 1 18 18 HIS N N 18 126.123 126.123 127.227 -1.104 18487 6290 1 13 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.692 0.153 18487 6291 1 13 . 1 1 18 18 HIS CA C 18 55.205 55.205 55.069 0.136 18487 6292 1 13 . 1 1 18 18 HIS CB C 18 30.197 30.197 31.545 -1.348 18487 6293 1 13 . 1 1 18 18 HIS H H 18 9.025 9.025 8.248 0.777 18487 6294 1 13 . 1 1 19 19 ILE N N 19 124.783 124.783 123.349 1.434 18487 6295 1 13 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.643 0.347 18487 6296 1 13 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.792 -1.284 18487 6297 1 13 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.579 -0.229 18487 6298 1 13 . 1 1 19 19 ILE H H 19 8.485 8.485 8.530 -0.045 18487 6299 1 13 . 1 1 20 20 LYS N N 20 128.184 128.184 128.857 -0.673 18487 6300 1 13 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.646 0.113 18487 6301 1 13 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.101 -0.972 18487 6302 1 13 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.678 0.963 18487 6303 1 13 . 1 1 20 20 LYS H H 20 9.253 9.253 8.973 0.280 18487 6304 1 13 . 1 1 21 21 THR N N 21 114.649 114.649 122.707 -8.058 18487 6305 1 13 . 1 1 21 21 THR HA H 21 4.930 4.930 4.389 0.541 18487 6306 1 13 . 1 1 21 21 THR CA C 21 60.191 60.191 62.547 -2.356 18487 6307 1 13 . 1 1 21 21 THR CB C 21 69.966 69.966 68.758 1.208 18487 6308 1 13 . 1 1 21 21 THR H H 21 8.232 8.232 8.498 -0.266 18487 6309 1 13 . 1 1 22 22 LEU N N 22 125.973 125.973 129.741 -3.768 18487 6310 1 13 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.594 0.085 18487 6311 1 13 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.484 0.269 18487 6312 1 13 . 1 1 22 22 LEU CB C 22 45.134 45.134 43.987 1.147 18487 6313 1 13 . 1 1 22 22 LEU H H 22 9.156 9.156 8.503 0.653 18487 6314 1 13 . 1 1 23 23 THR N N 23 112.582 112.582 114.777 -2.195 18487 6315 1 13 . 1 1 23 23 THR HA H 23 4.281 4.281 4.349 -0.068 18487 6316 1 13 . 1 1 23 23 THR CA C 23 61.474 61.474 61.362 0.112 18487 6317 1 13 . 1 1 23 23 THR CB C 23 69.759 69.759 69.489 0.270 18487 6318 1 13 . 1 1 23 23 THR H H 23 7.912 7.912 8.379 -0.467 18487 6319 1 13 . 1 1 24 24 THR N N 24 112.952 112.952 114.905 -1.953 18487 6320 1 13 . 1 1 24 24 THR HA H 24 5.040 5.040 4.777 0.263 18487 6321 1 13 . 1 1 24 24 THR CA C 24 60.000 60.000 58.889 1.111 18487 6322 1 13 . 1 1 24 24 THR CB C 24 69.872 69.872 69.649 0.223 18487 6323 1 13 . 1 1 24 24 THR H H 24 8.793 8.793 8.164 0.629 18487 6324 1 13 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.227 0.218 18487 6325 1 13 . 1 1 25 25 PRO CA C 25 64.322 64.322 64.295 0.027 18487 6326 1 13 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.991 -0.411 18487 6327 1 13 . 1 1 26 26 ASN N N 26 115.534 115.534 118.192 -2.658 18487 6328 1 13 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.632 0.303 18487 6329 1 13 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.734 -1.697 18487 6330 1 13 . 1 1 26 26 ASN CB C 26 39.722 39.722 38.732 0.990 18487 6331 1 13 . 1 1 26 26 ASN H H 26 7.774 7.774 8.341 -0.567 18487 6332 1 13 . 1 1 27 27 GLU N N 27 127.099 127.099 127.130 -0.031 18487 6333 1 13 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.272 0.138 18487 6334 1 13 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.519 0.439 18487 6335 1 13 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.247 -0.142 18487 6336 1 13 . 1 1 27 27 GLU H H 27 9.428 9.428 9.015 0.413 18487 6337 1 13 . 1 1 28 28 ASN N N 28 115.176 115.176 119.078 -3.902 18487 6338 1 13 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.575 0.411 18487 6339 1 13 . 1 1 28 28 ASN CA C 28 53.784 53.784 56.432 -2.648 18487 6340 1 13 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.802 -0.257 18487 6341 1 13 . 1 1 28 28 ASN H H 28 8.591 8.591 8.124 0.467 18487 6342 1 13 . 1 1 29 29 ALA N N 29 123.317 123.317 119.877 3.440 18487 6343 1 13 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.619 0.757 18487 6344 1 13 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.535 0.776 18487 6345 1 13 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.776 0.382 18487 6346 1 13 . 1 1 29 29 ALA H H 29 8.210 8.210 7.395 0.815 18487 6347 1 13 . 1 1 30 30 LEU N N 30 124.426 124.426 120.586 3.840 18487 6348 1 13 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.307 0.201 18487 6349 1 13 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.594 -0.934 18487 6350 1 13 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.954 0.597 18487 6351 1 13 . 1 1 30 30 LEU H H 30 8.550 8.550 8.083 0.467 18487 6352 1 13 . 1 1 31 31 LYS N N 31 123.555 123.555 125.785 -2.230 18487 6353 1 13 . 1 1 31 31 LYS HA H 31 5.139 5.139 5.143 -0.004 18487 6354 1 13 . 1 1 31 31 LYS CA C 31 55.083 55.083 54.976 0.107 18487 6355 1 13 . 1 1 31 31 LYS CB C 31 35.171 35.171 34.392 0.779 18487 6356 1 13 . 1 1 31 31 LYS H H 31 8.169 8.169 8.006 0.163 18487 6357 1 13 . 1 1 32 32 PHE N N 32 124.529 124.529 123.721 0.808 18487 6358 1 13 . 1 1 32 32 PHE HA H 32 4.975 4.975 5.326 -0.351 18487 6359 1 13 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.622 -0.148 18487 6360 1 13 . 1 1 32 32 PHE CB C 32 40.077 40.077 42.081 -2.004 18487 6361 1 13 . 1 1 32 32 PHE H H 32 9.634 9.634 8.841 0.793 18487 6362 1 13 . 1 1 33 33 LEU N N 33 122.712 122.712 125.592 -2.880 18487 6363 1 13 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.056 0.008 18487 6364 1 13 . 1 1 33 33 LEU CA C 33 54.387 54.387 52.850 1.537 18487 6365 1 13 . 1 1 33 33 LEU CB C 33 45.826 45.826 46.162 -0.336 18487 6366 1 13 . 1 1 33 33 LEU H H 33 9.174 9.174 9.020 0.154 18487 6367 1 13 . 1 1 34 34 SER N N 34 117.120 117.120 122.515 -5.395 18487 6368 1 13 . 1 1 34 34 SER HA H 34 5.116 5.116 5.044 0.072 18487 6369 1 13 . 1 1 34 34 SER CA C 34 56.626 56.626 57.751 -1.125 18487 6370 1 13 . 1 1 34 34 SER CB C 34 64.053 64.053 63.479 0.574 18487 6371 1 13 . 1 1 34 34 SER H H 34 8.979 8.979 8.636 0.343 18487 6372 1 13 . 1 1 35 35 THR N N 35 117.097 117.097 116.206 0.891 18487 6373 1 13 . 1 1 35 35 THR HA H 35 4.460 4.460 4.482 -0.022 18487 6374 1 13 . 1 1 35 35 THR CA C 35 62.944 62.944 60.995 1.949 18487 6375 1 13 . 1 1 35 35 THR CB C 35 69.779 69.779 70.535 -0.756 18487 6376 1 13 . 1 1 35 35 THR H H 35 8.646 8.646 8.453 0.193 18487 6377 1 13 . 1 1 36 36 ASP N N 36 120.039 120.039 125.113 -5.074 18487 6378 1 13 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.179 0.676 18487 6379 1 13 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.433 -0.692 18487 6380 1 13 . 1 1 36 36 ASP CB C 36 41.519 41.519 40.164 1.355 18487 6381 1 13 . 1 1 36 36 ASP H H 36 8.711 8.711 8.913 -0.202 18487 6382 1 13 . 1 1 37 37 GLY N N 37 107.015 107.015 107.437 -0.422 18487 6383 1 13 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.636 -0.007 18487 6384 1 13 . 1 1 37 37 GLY H H 37 8.020 8.020 8.271 -0.251 18487 6385 1 13 . 1 1 38 38 GLU N N 38 120.021 120.021 119.340 0.681 18487 6386 1 13 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.744 -0.466 18487 6387 1 13 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.172 1.971 18487 6388 1 13 . 1 1 38 38 GLU CB C 38 29.317 29.317 33.336 -4.019 18487 6389 1 13 . 1 1 38 38 GLU H H 38 8.101 8.101 8.297 -0.196 18487 6390 1 13 . 1 1 39 39 MET N N 39 121.372 121.372 121.480 -0.108 18487 6391 1 13 . 1 1 39 39 MET HA H 39 4.799 4.799 4.489 0.310 18487 6392 1 13 . 1 1 39 39 MET CA C 39 54.229 54.229 55.928 -1.699 18487 6393 1 13 . 1 1 39 39 MET CB C 39 33.392 33.392 33.713 -0.321 18487 6394 1 13 . 1 1 39 39 MET H H 39 8.571 8.571 8.582 -0.011 18487 6395 1 13 . 1 1 40 40 LEU N N 40 121.913 121.913 122.969 -1.056 18487 6396 1 13 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.197 0.062 18487 6397 1 13 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.430 0.714 18487 6398 1 13 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.384 0.042 18487 6399 1 13 . 1 1 40 40 LEU H H 40 8.572 8.572 8.678 -0.106 18487 6400 1 13 . 1 1 41 41 GLN N N 41 114.647 114.647 115.412 -0.765 18487 6401 1 13 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.873 -0.205 18487 6402 1 13 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.284 0.113 18487 6403 1 13 . 1 1 41 41 GLN CB C 41 35.290 35.290 32.427 2.863 18487 6404 1 13 . 1 1 41 41 GLN H H 41 8.420 8.420 7.567 0.853 18487 6405 1 13 . 1 1 42 42 THR N N 42 111.706 111.706 117.912 -6.206 18487 6406 1 13 . 1 1 42 42 THR HA H 42 4.038 4.038 4.353 -0.315 18487 6407 1 13 . 1 1 42 42 THR CA C 42 63.082 63.082 62.697 0.385 18487 6408 1 13 . 1 1 42 42 THR CB C 42 69.264 69.264 69.385 -0.121 18487 6409 1 13 . 1 1 42 42 THR H H 42 8.205 8.205 8.548 -0.343 18487 6410 1 13 . 1 1 43 43 ARG N N 43 126.367 126.367 126.606 -0.239 18487 6411 1 13 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.087 0.062 18487 6412 1 13 . 1 1 43 43 ARG CA C 43 57.433 57.433 58.223 -0.790 18487 6413 1 13 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.992 -1.065 18487 6414 1 13 . 1 1 43 43 ARG H H 43 8.885 8.885 8.684 0.201 18487 6415 1 13 . 1 1 44 44 GLY N N 44 116.299 116.299 107.122 9.177 18487 6416 1 13 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.990 -0.114 18487 6417 1 13 . 1 1 44 44 GLY H H 44 9.999 9.999 8.343 1.656 18487 6418 1 13 . 1 1 45 45 SER N N 45 117.374 117.374 115.252 2.122 18487 6419 1 13 . 1 1 45 45 SER HA H 45 4.316 4.316 4.555 -0.239 18487 6420 1 13 . 1 1 45 45 SER CA C 45 59.967 59.967 57.893 2.074 18487 6421 1 13 . 1 1 45 45 SER CB C 45 63.866 63.866 64.765 -0.899 18487 6422 1 13 . 1 1 45 45 SER H H 45 8.034 8.034 7.564 0.470 18487 6423 1 13 . 1 1 46 46 LYS N N 46 124.024 124.024 121.779 2.245 18487 6424 1 13 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.505 -0.248 18487 6425 1 13 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.627 0.675 18487 6426 1 13 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.650 -0.973 18487 6427 1 13 . 1 1 46 46 LYS H H 46 8.560 8.560 8.378 0.182 18487 6428 1 13 . 1 1 47 47 SER N N 47 119.851 119.851 115.907 3.944 18487 6429 1 13 . 1 1 47 47 SER HA H 47 4.824 4.824 4.632 0.192 18487 6430 1 13 . 1 1 47 47 SER CA C 47 57.920 57.920 58.457 -0.537 18487 6431 1 13 . 1 1 47 47 SER CB C 47 63.770 63.770 62.787 0.983 18487 6432 1 13 . 1 1 47 47 SER H H 47 8.663 8.663 8.385 0.278 18487 6433 1 13 . 1 1 48 48 ILE N N 48 124.054 124.054 128.006 -3.952 18487 6434 1 13 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.051 0.306 18487 6435 1 13 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.499 -1.387 18487 6436 1 13 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.769 3.328 18487 6437 1 13 . 1 1 48 48 ILE H H 48 8.619 8.619 8.226 0.393 18487 6438 1 13 . 1 1 49 49 VAL N N 49 128.260 128.260 129.332 -1.072 18487 6439 1 13 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.510 0.222 18487 6440 1 13 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.091 -0.079 18487 6441 1 13 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.864 0.747 18487 6442 1 13 . 1 1 49 49 VAL H H 49 8.498 8.498 8.472 0.026 18487 6443 1 13 . 1 1 50 50 ILE N N 50 127.715 127.715 130.720 -3.005 18487 6444 1 13 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.346 0.157 18487 6445 1 13 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.610 0.880 18487 6446 1 13 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.886 2.577 18487 6447 1 13 . 1 1 50 50 ILE H H 50 9.236 9.236 8.670 0.566 18487 6448 1 13 . 1 1 51 51 LYS N N 51 127.422 127.422 128.115 -0.693 18487 6449 1 13 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.788 -0.128 18487 6450 1 13 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.382 0.168 18487 6451 1 13 . 1 1 51 51 LYS CB C 51 33.943 33.943 34.372 -0.429 18487 6452 1 13 . 1 1 51 51 LYS H H 51 9.673 9.673 8.664 1.009 18487 6453 1 13 . 1 1 52 52 ASN N N 52 117.981 117.981 122.747 -4.766 18487 6454 1 13 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.872 -1.124 18487 6455 1 13 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.214 -0.047 18487 6456 1 13 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.715 -1.332 18487 6457 1 13 . 1 1 52 52 ASN H H 52 8.119 8.119 8.682 -0.563 18487 6458 1 13 . 1 1 53 53 THR N N 53 105.425 105.425 112.999 -7.574 18487 6459 1 13 . 1 1 53 53 THR HA H 53 4.218 4.218 4.144 0.074 18487 6460 1 13 . 1 1 53 53 THR CA C 53 60.619 60.619 64.078 -3.458 18487 6461 1 13 . 1 1 53 53 THR CB C 53 69.221 69.221 69.265 -0.044 18487 6462 1 13 . 1 1 53 53 THR H H 53 6.908 6.908 8.005 -1.097 18487 6463 1 13 . 1 1 54 54 ASP N N 54 125.547 125.547 122.772 2.775 18487 6464 1 13 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.793 0.173 18487 6465 1 13 . 1 1 54 54 ASP CA C 54 53.513 53.513 53.939 -0.426 18487 6466 1 13 . 1 1 54 54 ASP CB C 54 39.956 39.956 40.177 -0.221 18487 6467 1 13 . 1 1 54 54 ASP H H 54 7.811 7.811 7.700 0.111 18487 6468 1 13 . 1 1 55 55 GLU N N 55 123.946 123.946 123.016 0.930 18487 6469 1 13 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.801 0.022 18487 6470 1 13 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.205 0.919 18487 6471 1 13 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.725 0.207 18487 6472 1 13 . 1 1 55 55 GLU H H 55 7.919 7.919 7.798 0.121 18487 6473 1 13 . 1 1 56 56 ASN N N 56 115.295 115.295 117.899 -2.604 18487 6474 1 13 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.244 0.310 18487 6475 1 13 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.463 0.645 18487 6476 1 13 . 1 1 56 56 ASN CB C 56 38.267 38.267 36.999 1.268 18487 6477 1 13 . 1 1 56 56 ASN H H 56 8.728 8.728 8.409 0.319 18487 6478 1 13 . 1 1 57 57 LEU N N 57 120.223 120.223 120.424 -0.201 18487 6479 1 13 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.210 0.025 18487 6480 1 13 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.206 0.383 18487 6481 1 13 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.651 1.261 18487 6482 1 13 . 1 1 57 57 LEU H H 57 7.621 7.621 7.435 0.186 18487 6483 1 13 . 1 1 58 58 ILE N N 58 120.489 120.489 119.236 1.253 18487 6484 1 13 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.696 -0.160 18487 6485 1 13 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.357 1.982 18487 6486 1 13 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.632 0.761 18487 6487 1 13 . 1 1 58 58 ILE H H 58 8.461 8.461 7.282 1.179 18487 6488 1 13 . 1 1 59 59 ASN N N 59 114.873 114.873 116.868 -1.995 18487 6489 1 13 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.464 0.014 18487 6490 1 13 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.274 -0.319 18487 6491 1 13 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.209 -0.173 18487 6492 1 13 . 1 1 59 59 ASN H H 59 7.958 7.958 7.914 0.044 18487 6493 1 13 . 1 1 60 60 HIS N N 60 115.059 115.059 115.815 -0.756 18487 6494 1 13 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.403 0.365 18487 6495 1 13 . 1 1 60 60 HIS CA C 60 56.337 56.337 58.126 -1.789 18487 6496 1 13 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.540 -0.724 18487 6497 1 13 . 1 1 60 60 HIS H H 60 7.633 7.633 7.541 0.092 18487 6498 1 13 . 1 1 61 61 SER N N 61 115.447 115.447 112.898 2.549 18487 6499 1 13 . 1 1 61 61 SER HA H 61 5.135 5.135 4.960 0.175 18487 6500 1 13 . 1 1 61 61 SER CA C 61 56.072 56.072 56.879 -0.807 18487 6501 1 13 . 1 1 61 61 SER CB C 61 63.806 63.806 64.197 -0.391 18487 6502 1 13 . 1 1 61 61 SER H H 61 7.849 7.849 7.451 0.398 18487 6503 1 13 . 1 1 62 62 LYS N N 62 132.090 132.090 128.631 3.459 18487 6504 1 13 . 1 1 62 62 LYS HA H 62 4.044 4.044 3.959 0.085 18487 6505 1 13 . 1 1 62 62 LYS CA C 62 59.545 59.545 60.131 -0.586 18487 6506 1 13 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.492 -0.954 18487 6507 1 13 . 1 1 62 62 LYS H H 62 9.021 9.021 8.154 0.867 18487 6508 1 13 . 1 1 63 63 LEU N N 63 118.793 118.793 119.562 -0.769 18487 6509 1 13 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.992 0.134 18487 6510 1 13 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.945 -0.295 18487 6511 1 13 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.593 0.186 18487 6512 1 13 . 1 1 63 63 LEU H H 63 8.567 8.567 7.433 1.134 18487 6513 1 13 . 1 1 64 64 ALA N N 64 118.752 118.752 119.963 -1.211 18487 6514 1 13 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.938 -0.318 18487 6515 1 13 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.209 -0.152 18487 6516 1 13 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.373 0.212 18487 6517 1 13 . 1 1 64 64 ALA H H 64 7.645 7.645 8.264 -0.619 18487 6518 1 13 . 1 1 65 65 GLN N N 65 115.176 115.176 118.043 -2.867 18487 6519 1 13 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.886 0.060 18487 6520 1 13 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.234 0.023 18487 6521 1 13 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.521 0.079 18487 6522 1 13 . 1 1 65 65 GLN H H 65 8.539 8.539 7.914 0.625 18487 6523 1 13 . 1 1 66 66 GLN N N 66 115.801 115.801 118.528 -2.727 18487 6524 1 13 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.055 0.011 18487 6525 1 13 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.626 -0.066 18487 6526 1 13 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.477 1.020 18487 6527 1 13 . 1 1 66 66 GLN H H 66 8.125 8.125 7.928 0.197 18487 6528 1 13 . 1 1 67 67 ILE N N 67 119.874 119.874 119.989 -0.115 18487 6529 1 13 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.562 -0.225 18487 6530 1 13 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.415 0.628 18487 6531 1 13 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.831 -0.913 18487 6532 1 13 . 1 1 67 67 ILE H H 67 8.281 8.281 8.167 0.114 18487 6533 1 13 . 1 1 68 68 PHE N N 68 114.873 114.873 117.699 -2.826 18487 6534 1 13 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.448 0.047 18487 6535 1 13 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.434 -0.743 18487 6536 1 13 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.449 -0.801 18487 6537 1 13 . 1 1 68 68 PHE H H 68 8.255 8.255 8.036 0.219 18487 6538 1 13 . 1 1 69 69 LEU N N 69 117.763 117.763 120.823 -3.060 18487 6539 1 13 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.072 0.223 18487 6540 1 13 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.910 -0.574 18487 6541 1 13 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.109 1.019 18487 6542 1 13 . 1 1 69 69 LEU H H 69 7.747 7.747 7.838 -0.091 18487 6543 1 13 . 1 1 70 70 GLN N N 70 115.040 115.040 115.325 -0.285 18487 6544 1 13 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.268 0.044 18487 6545 1 13 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.325 -0.095 18487 6546 1 13 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.982 0.040 18487 6547 1 13 . 1 1 70 70 GLN H H 70 8.308 8.308 8.038 0.270 18487 6548 1 13 . 1 1 71 71 CYS N N 71 115.881 115.881 118.298 -2.417 18487 6549 1 13 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.964 -0.006 18487 6550 1 13 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.891 -0.490 18487 6551 1 13 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.768 -1.033 18487 6552 1 13 . 1 1 71 71 CYS H H 71 8.242 8.242 7.912 0.330 18487 6553 1 13 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.766 -0.203 18487 6554 1 13 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.845 0.164 18487 6555 1 13 . 1 1 72 72 PRO CB C 72 31.411 31.411 31.763 -0.352 18487 6556 1 13 . 1 1 73 73 GLY N N 73 106.975 106.975 106.134 0.841 18487 6557 1 13 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.570 0.708 18487 6558 1 13 . 1 1 73 73 GLY H H 73 8.657 8.657 8.066 0.591 18487 6559 1 13 . 1 1 74 74 VAL N N 74 119.448 119.448 120.418 -0.970 18487 6560 1 13 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.994 -0.014 18487 6561 1 13 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.456 1.345 18487 6562 1 13 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.278 0.222 18487 6563 1 13 . 1 1 74 74 VAL H H 74 7.747 7.747 7.266 0.481 18487 6564 1 13 . 1 1 75 75 GLU N N 75 129.063 129.063 126.134 2.929 18487 6565 1 13 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.426 0.041 18487 6566 1 13 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.323 -0.293 18487 6567 1 13 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.384 0.228 18487 6568 1 13 . 1 1 75 75 GLU H H 75 8.994 8.994 8.737 0.257 18487 6569 1 13 . 1 1 76 76 SER N N 76 110.068 110.068 110.553 -0.485 18487 6570 1 13 . 1 1 76 76 SER HA H 76 5.283 5.283 5.592 -0.309 18487 6571 1 13 . 1 1 76 76 SER CA C 76 57.395 57.395 57.546 -0.151 18487 6572 1 13 . 1 1 76 76 SER CB C 76 65.281 65.281 66.657 -1.376 18487 6573 1 13 . 1 1 76 76 SER H H 76 8.306 8.306 8.196 0.110 18487 6574 1 13 . 1 1 77 77 LEU N N 77 117.334 117.334 121.001 -3.667 18487 6575 1 13 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.885 0.516 18487 6576 1 13 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.753 -0.172 18487 6577 1 13 . 1 1 77 77 LEU CB C 77 46.173 46.173 44.843 1.330 18487 6578 1 13 . 1 1 77 77 LEU H H 77 9.250 9.250 9.127 0.123 18487 6579 1 13 . 1 1 78 78 MET N N 78 121.119 121.119 122.890 -1.771 18487 6580 1 13 . 1 1 78 78 MET HA H 78 5.367 5.367 4.999 0.368 18487 6581 1 13 . 1 1 78 78 MET CA C 78 53.966 53.966 54.194 -0.228 18487 6582 1 13 . 1 1 78 78 MET CB C 78 36.374 36.374 34.926 1.448 18487 6583 1 13 . 1 1 78 78 MET H H 78 9.333 9.333 8.723 0.610 18487 6584 1 13 . 1 1 79 79 ILE N N 79 127.512 127.512 127.399 0.113 18487 6585 1 13 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.280 -0.288 18487 6586 1 13 . 1 1 79 79 ILE CA C 79 61.626 61.626 58.907 2.719 18487 6587 1 13 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.943 2.444 18487 6588 1 13 . 1 1 79 79 ILE H H 79 9.396 9.396 8.604 0.792 18487 6589 1 13 . 1 1 80 80 GLY N N 80 117.437 117.437 115.182 2.255 18487 6590 1 13 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.850 0.760 18487 6591 1 13 . 1 1 80 80 GLY H H 80 7.916 7.916 7.828 0.088 18487 6592 1 13 . 1 1 81 81 ASP N N 81 118.860 118.860 118.838 0.022 18487 6593 1 13 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.291 0.382 18487 6594 1 13 . 1 1 81 81 ASP CA C 81 55.034 55.034 56.496 -1.462 18487 6595 1 13 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.753 -1.079 18487 6596 1 13 . 1 1 81 81 ASP H H 81 7.983 7.983 8.252 -0.269 18487 6597 1 13 . 1 1 82 82 ASP N N 82 118.682 118.682 114.424 4.258 18487 6598 1 13 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.588 0.231 18487 6599 1 13 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.233 -3.095 18487 6600 1 13 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.243 -0.249 18487 6601 1 13 . 1 1 82 82 ASP H H 82 9.164 9.164 8.652 0.512 18487 6602 1 13 . 1 1 83 83 PHE N N 83 110.898 110.898 115.014 -4.116 18487 6603 1 13 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.365 0.485 18487 6604 1 13 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.822 -0.857 18487 6605 1 13 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.262 1.484 18487 6606 1 13 . 1 1 83 83 PHE H H 83 6.887 6.887 7.292 -0.405 18487 6607 1 13 . 1 1 84 84 LEU N N 84 121.119 121.119 122.493 -1.374 18487 6608 1 13 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.118 0.115 18487 6609 1 13 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.889 -0.923 18487 6610 1 13 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.353 2.055 18487 6611 1 13 . 1 1 84 84 LEU H H 84 9.118 9.118 8.639 0.479 18487 6612 1 13 . 1 1 85 85 THR N N 85 125.430 125.430 125.530 -0.100 18487 6613 1 13 . 1 1 85 85 THR HA H 85 5.639 5.639 4.908 0.731 18487 6614 1 13 . 1 1 85 85 THR CA C 85 61.743 61.743 62.558 -0.815 18487 6615 1 13 . 1 1 85 85 THR CB C 85 69.835 69.835 69.046 0.789 18487 6616 1 13 . 1 1 85 85 THR H H 85 9.780 9.780 9.046 0.734 18487 6617 1 13 . 1 1 86 86 ILE N N 86 126.778 126.778 128.861 -2.083 18487 6618 1 13 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.330 0.381 18487 6619 1 13 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.858 -2.153 18487 6620 1 13 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.504 1.840 18487 6621 1 13 . 1 1 86 86 ILE H H 86 9.151 9.151 8.902 0.249 18487 6622 1 13 . 1 1 87 87 ASN N N 87 124.785 124.785 127.691 -2.906 18487 6623 1 13 . 1 1 87 87 ASN HA H 87 6.026 6.026 6.011 0.015 18487 6624 1 13 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.456 -0.424 18487 6625 1 13 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.557 -1.878 18487 6626 1 13 . 1 1 87 87 ASN H H 87 8.680 8.680 8.956 -0.276 18487 6627 1 13 . 1 1 88 88 LYS N N 88 122.617 122.617 123.819 -1.202 18487 6628 1 13 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.931 0.308 18487 6629 1 13 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.370 0.144 18487 6630 1 13 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.392 1.863 18487 6631 1 13 . 1 1 88 88 LYS H H 88 9.361 9.361 8.228 1.133 18487 6632 1 13 . 1 1 89 89 ASP N N 89 121.211 121.211 119.181 2.030 18487 6633 1 13 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.829 -0.368 18487 6634 1 13 . 1 1 89 89 ASP CA C 89 53.895 53.895 52.779 1.116 18487 6635 1 13 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.806 -0.062 18487 6636 1 13 . 1 1 89 89 ASP H H 89 8.454 8.454 8.156 0.298 18487 6637 1 13 . 1 1 90 90 ARG N N 90 124.551 124.551 124.426 0.125 18487 6638 1 13 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.026 0.048 18487 6639 1 13 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.365 -0.256 18487 6640 1 13 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.759 0.136 18487 6641 1 13 . 1 1 90 90 ARG H H 90 8.475 8.475 8.719 -0.244 18487 6642 1 13 . 1 1 91 91 MET N N 91 115.821 115.821 117.367 -1.546 18487 6643 1 13 . 1 1 91 91 MET HA H 91 4.424 4.424 4.284 0.140 18487 6644 1 13 . 1 1 91 91 MET CA C 91 55.206 55.206 57.129 -1.923 18487 6645 1 13 . 1 1 91 91 MET CB C 91 31.307 31.307 33.635 -2.328 18487 6646 1 13 . 1 1 91 91 MET H H 91 8.725 8.725 7.814 0.911 18487 6647 1 13 . 1 1 92 92 VAL N N 92 119.922 119.922 118.223 1.699 18487 6648 1 13 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.077 0.029 18487 6649 1 13 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.356 -0.298 18487 6650 1 13 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.373 0.771 18487 6651 1 13 . 1 1 92 92 VAL H H 92 7.348 7.348 7.228 0.120 18487 6652 1 13 . 1 1 93 93 HIS N N 93 125.619 125.619 125.436 0.183 18487 6653 1 13 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.568 0.028 18487 6654 1 13 . 1 1 93 93 HIS CA C 93 55.394 55.394 53.956 1.438 18487 6655 1 13 . 1 1 93 93 HIS CB C 93 31.658 31.658 33.358 -1.700 18487 6656 1 13 . 1 1 93 93 HIS H H 93 8.851 8.851 8.391 0.460 18487 6657 1 13 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.403 0.597 18487 6658 1 13 . 1 1 94 94 TRP CA C 94 60.000 60.000 59.399 0.601 18487 6659 1 13 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.521 0.478 18487 6660 1 13 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.399 0.298 18487 6661 1 13 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.968 0.059 18487 6662 1 13 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.908 -0.757 18487 6663 1 13 . 1 1 96 96 SER N N 96 113.047 113.047 113.282 -0.235 18487 6664 1 13 . 1 1 96 96 SER HA H 96 4.628 4.628 4.539 0.089 18487 6665 1 13 . 1 1 96 96 SER CA C 96 60.183 60.183 59.273 0.910 18487 6666 1 13 . 1 1 96 96 SER CB C 96 63.901 63.901 63.950 -0.049 18487 6667 1 13 . 1 1 96 96 SER H H 96 8.064 8.064 7.843 0.221 18487 6668 1 13 . 1 1 97 97 ILE N N 97 116.621 116.621 120.112 -3.491 18487 6669 1 13 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.219 0.423 18487 6670 1 13 . 1 1 97 97 ILE CA C 97 62.778 62.778 62.921 -0.143 18487 6671 1 13 . 1 1 97 97 ILE CB C 97 42.427 42.427 39.052 3.375 18487 6672 1 13 . 1 1 97 97 ILE H H 97 7.705 7.705 7.133 0.572 18487 6673 1 13 . 1 1 98 98 LYS N N 98 120.198 120.198 121.419 -1.221 18487 6674 1 13 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.375 -0.118 18487 6675 1 13 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.124 0.589 18487 6676 1 13 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.984 -0.011 18487 6677 1 13 . 1 1 98 98 LYS H H 98 9.132 9.132 8.359 0.773 18487 6678 1 13 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.265 0.019 18487 6679 1 13 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.906 0.428 18487 6680 1 13 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.931 -0.530 18487 6681 1 13 . 1 1 100 100 GLU N N 100 117.097 117.097 118.444 -1.347 18487 6682 1 13 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.065 0.087 18487 6683 1 13 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.169 -0.350 18487 6684 1 13 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.571 0.845 18487 6685 1 13 . 1 1 100 100 GLU H H 100 7.447 7.447 7.961 -0.514 18487 6686 1 13 . 1 1 101 101 ILE N N 101 118.326 118.326 120.135 -1.809 18487 6687 1 13 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.547 -0.183 18487 6688 1 13 . 1 1 101 101 ILE CA C 101 63.361 63.361 64.894 -1.532 18487 6689 1 13 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.505 -1.656 18487 6690 1 13 . 1 1 101 101 ILE H H 101 7.896 7.896 7.562 0.334 18487 6691 1 13 . 1 1 102 102 ILE N N 102 118.368 118.368 120.217 -1.849 18487 6692 1 13 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.397 0.011 18487 6693 1 13 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.679 0.567 18487 6694 1 13 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.437 -0.197 18487 6695 1 13 . 1 1 102 102 ILE H H 102 8.243 8.243 8.117 0.126 18487 6696 1 13 . 1 1 103 103 ASP N N 103 122.381 122.381 120.359 2.022 18487 6697 1 13 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.232 0.146 18487 6698 1 13 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.823 0.159 18487 6699 1 13 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.922 0.612 18487 6700 1 13 . 1 1 103 103 ASP H H 103 7.900 7.900 7.800 0.100 18487 6701 1 13 . 1 1 104 104 LEU N N 104 119.007 119.007 119.480 -0.473 18487 6702 1 13 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.972 0.026 18487 6703 1 13 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.748 -0.010 18487 6704 1 13 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.748 0.393 18487 6705 1 13 . 1 1 104 104 LEU H H 104 8.261 8.261 7.565 0.696 18487 6706 1 13 . 1 1 105 105 LEU N N 105 120.443 120.443 118.179 2.264 18487 6707 1 13 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.083 -0.096 18487 6708 1 13 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.035 -0.534 18487 6709 1 13 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.063 1.024 18487 6710 1 13 . 1 1 105 105 LEU H H 105 9.022 9.022 8.209 0.813 18487 6711 1 13 . 1 1 106 106 THR N N 106 114.821 114.821 115.106 -0.285 18487 6712 1 13 . 1 1 106 106 THR HA H 106 3.698 3.698 4.094 -0.396 18487 6713 1 13 . 1 1 106 106 THR CA C 106 67.610 67.610 66.502 1.108 18487 6714 1 13 . 1 1 106 106 THR CB C 106 68.325 68.325 68.653 -0.328 18487 6715 1 13 . 1 1 106 106 THR H H 106 8.273 8.273 7.504 0.769 18487 6716 1 13 . 1 1 107 107 LYS N N 107 120.049 120.049 121.609 -1.560 18487 6717 1 13 . 1 1 107 107 LYS HA H 107 3.907 3.907 4.084 -0.177 18487 6718 1 13 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.481 -0.026 18487 6719 1 13 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.762 0.600 18487 6720 1 13 . 1 1 107 107 LYS H H 107 7.691 7.691 8.069 -0.378 18487 6721 1 13 . 1 1 108 108 GLN N N 108 118.375 118.375 118.751 -0.376 18487 6722 1 13 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.086 -0.068 18487 6723 1 13 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.978 -0.995 18487 6724 1 13 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.597 -0.942 18487 6725 1 13 . 1 1 108 108 GLN H H 108 7.888 7.888 7.762 0.126 18487 6726 1 13 . 1 1 109 109 LEU N N 109 118.066 118.066 117.895 0.171 18487 6727 1 13 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.327 -0.145 18487 6728 1 13 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.399 0.068 18487 6729 1 13 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.792 0.018 18487 6730 1 13 . 1 1 109 109 LEU H H 109 8.269 8.269 7.592 0.677 18487 6731 1 13 . 1 1 110 110 ALA N N 110 120.909 120.909 122.047 -1.138 18487 6732 1 13 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.137 -0.105 18487 6733 1 13 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.589 -0.349 18487 6734 1 13 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.601 0.066 18487 6735 1 13 . 1 1 110 110 ALA H H 110 8.171 8.171 7.824 0.347 18487 6736 1 13 . 1 1 111 111 TYR N N 111 114.611 114.611 117.183 -2.572 18487 6737 1 13 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.405 0.237 18487 6738 1 13 . 1 1 111 111 TYR CA C 111 57.927 57.927 59.406 -1.479 18487 6739 1 13 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.594 -0.122 18487 6740 1 13 . 1 1 111 111 TYR H H 111 7.763 7.763 8.221 -0.458 18487 6741 1 13 . 1 1 112 112 GLY N N 112 107.916 107.916 108.004 -0.088 18487 6742 1 13 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.184 1.024 18487 6743 1 13 . 1 1 112 112 GLY H H 112 7.941 7.941 7.867 0.074 18487 6744 1 13 . 1 1 113 113 GLU N N 113 119.571 119.571 118.333 1.238 18487 6745 1 13 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.666 -0.276 18487 6746 1 13 . 1 1 113 113 GLU CA C 113 56.025 56.025 53.731 2.294 18487 6747 1 13 . 1 1 113 113 GLU CB C 113 30.403 30.403 32.917 -2.514 18487 6748 1 13 . 1 1 113 113 GLU H H 113 8.166 8.166 7.587 0.579 18487 6749 1 13 . 1 1 114 114 ASP N N 114 121.457 121.457 119.433 2.024 18487 6750 1 13 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.633 -0.008 18487 6751 1 13 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.053 1.022 18487 6752 1 13 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.654 -1.657 18487 6753 1 13 . 1 1 114 114 ASP H H 114 8.560 8.560 8.175 0.385 18487 6754 1 13 . 1 1 115 115 VAL N N 115 120.645 120.645 120.880 -0.235 18487 6755 1 13 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.003 0.076 18487 6756 1 13 . 1 1 115 115 VAL CA C 115 63.518 63.518 65.359 -1.841 18487 6757 1 13 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.232 -0.399 18487 6758 1 13 . 1 1 115 115 VAL H H 115 8.659 8.659 7.919 0.740 18487 6759 1 13 . 1 1 116 116 ILE N N 116 120.775 120.775 117.050 3.725 18487 6760 1 13 . 1 1 116 116 ILE HA H 116 4.663 4.663 3.980 0.683 18487 6761 1 13 . 1 1 116 116 ILE CA C 116 59.736 59.736 64.515 -4.779 18487 6762 1 13 . 1 1 116 116 ILE CB C 116 39.798 39.798 38.265 1.533 18487 6763 1 13 . 1 1 116 116 ILE H H 116 7.881 7.881 7.868 0.013 18487 6764 1 13 . 1 1 117 117 SER N N 117 121.192 121.192 111.438 9.754 18487 6765 1 13 . 1 1 117 117 SER HA H 117 4.641 4.641 4.635 0.006 18487 6766 1 13 . 1 1 117 117 SER CA C 117 57.846 57.846 60.180 -2.334 18487 6767 1 13 . 1 1 117 117 SER CB C 117 63.962 63.962 64.617 -0.655 18487 6768 1 13 . 1 1 117 117 SER H H 117 8.767 8.767 8.311 0.456 18487 6769 1 13 . 1 1 118 118 LYS N N 118 124.317 124.317 119.778 4.539 18487 6770 1 13 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.527 -0.171 18487 6771 1 13 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.443 0.094 18487 6772 1 13 . 1 1 118 118 LYS CB C 118 33.050 33.050 34.521 -1.471 18487 6773 1 13 . 1 1 118 118 LYS H H 118 8.633 8.633 8.324 0.309 18487 6774 1 14 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.829 -0.149 18487 6775 1 14 . 1 1 11 11 MET N N 11 120.918 120.918 119.701 1.217 18487 6776 1 14 . 1 1 11 11 MET HA H 11 4.435 4.435 4.833 -0.398 18487 6777 1 14 . 1 1 11 11 MET CA C 11 55.736 55.736 54.205 1.531 18487 6778 1 14 . 1 1 11 11 MET CB C 11 32.501 32.501 34.938 -2.437 18487 6779 1 14 . 1 1 11 11 MET H H 11 8.289 8.289 8.476 -0.187 18487 6780 1 14 . 1 1 12 12 ASN N N 12 120.356 120.356 120.573 -0.217 18487 6781 1 14 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.779 -0.021 18487 6782 1 14 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.187 0.301 18487 6783 1 14 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.189 0.387 18487 6784 1 14 . 1 1 12 12 ASN H H 12 8.583 8.583 8.511 0.072 18487 6785 1 14 . 1 1 13 13 SER N N 13 116.582 116.582 119.823 -3.241 18487 6786 1 14 . 1 1 13 13 SER HA H 13 4.378 4.378 4.397 -0.019 18487 6787 1 14 . 1 1 13 13 SER CA C 13 58.842 58.842 58.658 0.184 18487 6788 1 14 . 1 1 13 13 SER CB C 13 63.403 63.403 63.164 0.239 18487 6789 1 14 . 1 1 13 13 SER H H 13 8.319 8.319 8.580 -0.261 18487 6790 1 14 . 1 1 14 14 GLN N N 14 121.369 121.369 124.165 -2.796 18487 6791 1 14 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.447 -0.129 18487 6792 1 14 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.001 1.099 18487 6793 1 14 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.845 -0.901 18487 6794 1 14 . 1 1 14 14 GLN H H 14 8.365 8.365 8.178 0.187 18487 6795 1 14 . 1 1 15 15 ARG N N 15 121.565 121.565 123.577 -2.012 18487 6796 1 14 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.355 -0.041 18487 6797 1 14 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.087 -0.199 18487 6798 1 14 . 1 1 15 15 ARG CB C 15 30.427 30.427 28.865 1.562 18487 6799 1 14 . 1 1 15 15 ARG H H 15 8.084 8.084 8.474 -0.390 18487 6800 1 14 . 1 1 16 16 LEU N N 16 123.810 123.810 121.969 1.841 18487 6801 1 14 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.602 -0.259 18487 6802 1 14 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.657 0.982 18487 6803 1 14 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.860 -2.798 18487 6804 1 14 . 1 1 16 16 LEU H H 16 8.254 8.254 7.898 0.356 18487 6805 1 14 . 1 1 17 17 ILE N N 17 122.996 122.996 122.381 0.615 18487 6806 1 14 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.264 -0.110 18487 6807 1 14 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.411 -1.197 18487 6808 1 14 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.288 0.497 18487 6809 1 14 . 1 1 17 17 ILE H H 17 8.006 8.006 8.213 -0.207 18487 6810 1 14 . 1 1 18 18 HIS N N 18 126.123 126.123 126.340 -0.217 18487 6811 1 14 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.516 0.329 18487 6812 1 14 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.640 -1.435 18487 6813 1 14 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.704 0.493 18487 6814 1 14 . 1 1 18 18 HIS H H 18 9.025 9.025 8.821 0.204 18487 6815 1 14 . 1 1 19 19 ILE N N 19 124.783 124.783 124.612 0.171 18487 6816 1 14 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.514 0.476 18487 6817 1 14 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.803 -1.295 18487 6818 1 14 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.988 -0.638 18487 6819 1 14 . 1 1 19 19 ILE H H 19 8.485 8.485 8.514 -0.029 18487 6820 1 14 . 1 1 20 20 LYS N N 20 128.184 128.184 128.553 -0.369 18487 6821 1 14 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.681 0.078 18487 6822 1 14 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.500 -0.371 18487 6823 1 14 . 1 1 20 20 LYS CB C 20 35.641 35.641 35.387 0.254 18487 6824 1 14 . 1 1 20 20 LYS H H 20 9.253 9.253 8.780 0.473 18487 6825 1 14 . 1 1 21 21 THR N N 21 114.649 114.649 119.346 -4.697 18487 6826 1 14 . 1 1 21 21 THR HA H 21 4.930 4.930 4.550 0.380 18487 6827 1 14 . 1 1 21 21 THR CA C 21 60.191 60.191 61.071 -0.880 18487 6828 1 14 . 1 1 21 21 THR CB C 21 69.966 69.966 69.455 0.511 18487 6829 1 14 . 1 1 21 21 THR H H 21 8.232 8.232 8.261 -0.029 18487 6830 1 14 . 1 1 22 22 LEU N N 22 125.973 125.973 128.363 -2.390 18487 6831 1 14 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.506 0.173 18487 6832 1 14 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.981 -0.228 18487 6833 1 14 . 1 1 22 22 LEU CB C 22 45.134 45.134 42.989 2.145 18487 6834 1 14 . 1 1 22 22 LEU H H 22 9.156 9.156 8.476 0.680 18487 6835 1 14 . 1 1 23 23 THR N N 23 112.582 112.582 114.598 -2.016 18487 6836 1 14 . 1 1 23 23 THR HA H 23 4.281 4.281 4.286 -0.005 18487 6837 1 14 . 1 1 23 23 THR CA C 23 61.474 61.474 62.008 -0.534 18487 6838 1 14 . 1 1 23 23 THR CB C 23 69.759 69.759 69.360 0.399 18487 6839 1 14 . 1 1 23 23 THR H H 23 7.912 7.912 8.400 -0.488 18487 6840 1 14 . 1 1 24 24 THR N N 24 112.952 112.952 114.226 -1.274 18487 6841 1 14 . 1 1 24 24 THR HA H 24 5.040 5.040 4.760 0.280 18487 6842 1 14 . 1 1 24 24 THR CA C 24 60.000 60.000 59.078 0.922 18487 6843 1 14 . 1 1 24 24 THR CB C 24 69.872 69.872 69.457 0.415 18487 6844 1 14 . 1 1 24 24 THR H H 24 8.793 8.793 8.295 0.498 18487 6845 1 14 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.585 -0.140 18487 6846 1 14 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.034 1.288 18487 6847 1 14 . 1 1 25 25 PRO CB C 25 31.580 31.580 30.435 1.145 18487 6848 1 14 . 1 1 26 26 ASN N N 26 115.534 115.534 118.355 -2.821 18487 6849 1 14 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.824 0.111 18487 6850 1 14 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.139 -1.102 18487 6851 1 14 . 1 1 26 26 ASN CB C 26 39.722 39.722 41.307 -1.585 18487 6852 1 14 . 1 1 26 26 ASN H H 26 7.774 7.774 7.648 0.126 18487 6853 1 14 . 1 1 27 27 GLU N N 27 127.099 127.099 123.282 3.817 18487 6854 1 14 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.263 0.147 18487 6855 1 14 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.537 0.421 18487 6856 1 14 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.050 -0.945 18487 6857 1 14 . 1 1 27 27 GLU H H 27 9.428 9.428 8.843 0.585 18487 6858 1 14 . 1 1 28 28 ASN N N 28 115.176 115.176 119.259 -4.083 18487 6859 1 14 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.573 0.413 18487 6860 1 14 . 1 1 28 28 ASN CA C 28 53.784 53.784 56.251 -2.467 18487 6861 1 14 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.986 -0.441 18487 6862 1 14 . 1 1 28 28 ASN H H 28 8.591 8.591 8.483 0.108 18487 6863 1 14 . 1 1 29 29 ALA N N 29 123.317 123.317 121.320 1.997 18487 6864 1 14 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.346 1.030 18487 6865 1 14 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.244 0.066 18487 6866 1 14 . 1 1 29 29 ALA CB C 29 22.158 22.158 20.409 1.749 18487 6867 1 14 . 1 1 29 29 ALA H H 29 8.210 8.210 7.774 0.436 18487 6868 1 14 . 1 1 30 30 LEU N N 30 124.426 124.426 124.746 -0.320 18487 6869 1 14 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.571 -0.063 18487 6870 1 14 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.132 -0.472 18487 6871 1 14 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.429 0.122 18487 6872 1 14 . 1 1 30 30 LEU H H 30 8.550 8.550 8.469 0.081 18487 6873 1 14 . 1 1 31 31 LYS N N 31 123.555 123.555 127.180 -3.625 18487 6874 1 14 . 1 1 31 31 LYS HA H 31 5.139 5.139 5.022 0.117 18487 6875 1 14 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.172 -0.089 18487 6876 1 14 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.537 1.634 18487 6877 1 14 . 1 1 31 31 LYS H H 31 8.169 8.169 7.884 0.285 18487 6878 1 14 . 1 1 32 32 PHE N N 32 124.529 124.529 125.341 -0.812 18487 6879 1 14 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.842 0.133 18487 6880 1 14 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.871 -0.397 18487 6881 1 14 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.157 -0.080 18487 6882 1 14 . 1 1 32 32 PHE H H 32 9.634 9.634 9.109 0.525 18487 6883 1 14 . 1 1 33 33 LEU N N 33 122.712 122.712 125.556 -2.844 18487 6884 1 14 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.853 0.211 18487 6885 1 14 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.591 0.796 18487 6886 1 14 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.332 0.494 18487 6887 1 14 . 1 1 33 33 LEU H H 33 9.174 9.174 8.999 0.175 18487 6888 1 14 . 1 1 34 34 SER N N 34 117.120 117.120 122.618 -5.498 18487 6889 1 14 . 1 1 34 34 SER HA H 34 5.116 5.116 4.685 0.431 18487 6890 1 14 . 1 1 34 34 SER CA C 34 56.626 56.626 58.730 -2.104 18487 6891 1 14 . 1 1 34 34 SER CB C 34 64.053 64.053 63.358 0.695 18487 6892 1 14 . 1 1 34 34 SER H H 34 8.979 8.979 8.240 0.739 18487 6893 1 14 . 1 1 35 35 THR N N 35 117.097 117.097 118.882 -1.785 18487 6894 1 14 . 1 1 35 35 THR HA H 35 4.460 4.460 4.642 -0.182 18487 6895 1 14 . 1 1 35 35 THR CA C 35 62.944 62.944 63.203 -0.259 18487 6896 1 14 . 1 1 35 35 THR CB C 35 69.779 69.779 70.054 -0.275 18487 6897 1 14 . 1 1 35 35 THR H H 35 8.646 8.646 8.327 0.319 18487 6898 1 14 . 1 1 36 36 ASP N N 36 120.039 120.039 122.971 -2.932 18487 6899 1 14 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.821 0.034 18487 6900 1 14 . 1 1 36 36 ASP CA C 36 54.741 54.741 54.946 -0.205 18487 6901 1 14 . 1 1 36 36 ASP CB C 36 41.519 41.519 42.347 -0.828 18487 6902 1 14 . 1 1 36 36 ASP H H 36 8.711 8.711 7.847 0.864 18487 6903 1 14 . 1 1 37 37 GLY N N 37 107.015 107.015 108.834 -1.819 18487 6904 1 14 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.489 1.140 18487 6905 1 14 . 1 1 37 37 GLY H H 37 8.020 8.020 7.815 0.205 18487 6906 1 14 . 1 1 38 38 GLU N N 38 120.021 120.021 118.276 1.745 18487 6907 1 14 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.534 -0.256 18487 6908 1 14 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.692 1.451 18487 6909 1 14 . 1 1 38 38 GLU CB C 38 29.317 29.317 31.799 -2.482 18487 6910 1 14 . 1 1 38 38 GLU H H 38 8.101 8.101 8.303 -0.202 18487 6911 1 14 . 1 1 39 39 MET N N 39 121.372 121.372 119.069 2.303 18487 6912 1 14 . 1 1 39 39 MET HA H 39 4.799 4.799 4.554 0.245 18487 6913 1 14 . 1 1 39 39 MET CA C 39 54.229 54.229 55.358 -1.129 18487 6914 1 14 . 1 1 39 39 MET CB C 39 33.392 33.392 33.991 -0.599 18487 6915 1 14 . 1 1 39 39 MET H H 39 8.571 8.571 8.320 0.251 18487 6916 1 14 . 1 1 40 40 LEU N N 40 121.913 121.913 122.832 -0.919 18487 6917 1 14 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.323 -0.064 18487 6918 1 14 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.494 0.650 18487 6919 1 14 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.308 0.118 18487 6920 1 14 . 1 1 40 40 LEU H H 40 8.572 8.572 8.325 0.247 18487 6921 1 14 . 1 1 41 41 GLN N N 41 114.647 114.647 115.270 -0.623 18487 6922 1 14 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.503 0.165 18487 6923 1 14 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.162 0.235 18487 6924 1 14 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.821 3.469 18487 6925 1 14 . 1 1 41 41 GLN H H 41 8.420 8.420 7.474 0.946 18487 6926 1 14 . 1 1 42 42 THR N N 42 111.706 111.706 117.685 -5.979 18487 6927 1 14 . 1 1 42 42 THR HA H 42 4.038 4.038 4.152 -0.114 18487 6928 1 14 . 1 1 42 42 THR CA C 42 63.082 63.082 63.076 0.006 18487 6929 1 14 . 1 1 42 42 THR CB C 42 69.264 69.264 69.150 0.114 18487 6930 1 14 . 1 1 42 42 THR H H 42 8.205 8.205 8.325 -0.120 18487 6931 1 14 . 1 1 43 43 ARG N N 43 126.367 126.367 127.800 -1.433 18487 6932 1 14 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.014 0.135 18487 6933 1 14 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.391 0.042 18487 6934 1 14 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.290 -1.363 18487 6935 1 14 . 1 1 43 43 ARG H H 43 8.885 8.885 8.665 0.220 18487 6936 1 14 . 1 1 44 44 GLY N N 44 116.299 116.299 115.008 1.291 18487 6937 1 14 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.386 -0.510 18487 6938 1 14 . 1 1 44 44 GLY H H 44 9.999 9.999 8.754 1.245 18487 6939 1 14 . 1 1 45 45 SER N N 45 117.374 117.374 114.619 2.755 18487 6940 1 14 . 1 1 45 45 SER HA H 45 4.316 4.316 4.513 -0.197 18487 6941 1 14 . 1 1 45 45 SER CA C 45 59.967 59.967 57.523 2.444 18487 6942 1 14 . 1 1 45 45 SER CB C 45 63.866 63.866 64.597 -0.731 18487 6943 1 14 . 1 1 45 45 SER H H 45 8.034 8.034 7.714 0.320 18487 6944 1 14 . 1 1 46 46 LYS N N 46 124.024 124.024 121.134 2.890 18487 6945 1 14 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.385 -0.128 18487 6946 1 14 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.885 0.417 18487 6947 1 14 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.151 -0.474 18487 6948 1 14 . 1 1 46 46 LYS H H 46 8.560 8.560 8.332 0.228 18487 6949 1 14 . 1 1 47 47 SER N N 47 119.851 119.851 119.756 0.095 18487 6950 1 14 . 1 1 47 47 SER HA H 47 4.824 4.824 4.470 0.354 18487 6951 1 14 . 1 1 47 47 SER CA C 47 57.920 57.920 58.522 -0.602 18487 6952 1 14 . 1 1 47 47 SER CB C 47 63.770 63.770 63.429 0.341 18487 6953 1 14 . 1 1 47 47 SER H H 47 8.663 8.663 8.466 0.197 18487 6954 1 14 . 1 1 48 48 ILE N N 48 124.054 124.054 127.949 -3.895 18487 6955 1 14 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.085 0.272 18487 6956 1 14 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.291 -1.179 18487 6957 1 14 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.956 3.141 18487 6958 1 14 . 1 1 48 48 ILE H H 48 8.619 8.619 8.281 0.338 18487 6959 1 14 . 1 1 49 49 VAL N N 49 128.260 128.260 128.953 -0.693 18487 6960 1 14 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.515 0.217 18487 6961 1 14 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.299 -0.287 18487 6962 1 14 . 1 1 49 49 VAL CB C 49 32.611 32.611 32.130 0.481 18487 6963 1 14 . 1 1 49 49 VAL H H 49 8.498 8.498 8.502 -0.004 18487 6964 1 14 . 1 1 50 50 ILE N N 50 127.715 127.715 130.509 -2.794 18487 6965 1 14 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.346 0.157 18487 6966 1 14 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.261 1.229 18487 6967 1 14 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.451 2.012 18487 6968 1 14 . 1 1 50 50 ILE H H 50 9.236 9.236 8.493 0.743 18487 6969 1 14 . 1 1 51 51 LYS N N 51 127.422 127.422 128.244 -0.822 18487 6970 1 14 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.537 0.123 18487 6971 1 14 . 1 1 51 51 LYS CA C 51 55.550 55.550 56.154 -0.604 18487 6972 1 14 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.467 0.476 18487 6973 1 14 . 1 1 51 51 LYS H H 51 9.673 9.673 8.230 1.443 18487 6974 1 14 . 1 1 52 52 ASN N N 52 117.981 117.981 118.163 -0.182 18487 6975 1 14 . 1 1 52 52 ASN HA H 52 2.748 2.748 4.014 -1.266 18487 6976 1 14 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.120 0.048 18487 6977 1 14 . 1 1 52 52 ASN CB C 52 36.383 36.383 38.212 -1.829 18487 6978 1 14 . 1 1 52 52 ASN H H 52 8.119 8.119 8.687 -0.568 18487 6979 1 14 . 1 1 53 53 THR N N 53 105.425 105.425 109.893 -4.468 18487 6980 1 14 . 1 1 53 53 THR HA H 53 4.218 4.218 4.225 -0.007 18487 6981 1 14 . 1 1 53 53 THR CA C 53 60.619 60.619 63.796 -3.177 18487 6982 1 14 . 1 1 53 53 THR CB C 53 69.221 69.221 68.648 0.573 18487 6983 1 14 . 1 1 53 53 THR H H 53 6.908 6.908 8.172 -1.264 18487 6984 1 14 . 1 1 54 54 ASP N N 54 125.547 125.547 123.568 1.979 18487 6985 1 14 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.732 0.234 18487 6986 1 14 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.548 -1.035 18487 6987 1 14 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.471 0.485 18487 6988 1 14 . 1 1 54 54 ASP H H 54 7.811 7.811 8.069 -0.258 18487 6989 1 14 . 1 1 55 55 GLU N N 55 123.946 123.946 122.524 1.422 18487 6990 1 14 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.836 -0.013 18487 6991 1 14 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.679 0.445 18487 6992 1 14 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.599 0.333 18487 6993 1 14 . 1 1 55 55 GLU H H 55 7.919 7.919 7.738 0.181 18487 6994 1 14 . 1 1 56 56 ASN N N 56 115.295 115.295 117.222 -1.927 18487 6995 1 14 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.508 0.046 18487 6996 1 14 . 1 1 56 56 ASN CA C 56 56.108 56.108 56.049 0.059 18487 6997 1 14 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.393 -0.126 18487 6998 1 14 . 1 1 56 56 ASN H H 56 8.728 8.728 8.621 0.107 18487 6999 1 14 . 1 1 57 57 LEU N N 57 120.223 120.223 119.243 0.980 18487 7000 1 14 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.149 0.086 18487 7001 1 14 . 1 1 57 57 LEU CA C 57 57.589 57.589 56.957 0.632 18487 7002 1 14 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.044 0.868 18487 7003 1 14 . 1 1 57 57 LEU H H 57 7.621 7.621 7.491 0.130 18487 7004 1 14 . 1 1 58 58 ILE N N 58 120.489 120.489 121.299 -0.810 18487 7005 1 14 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.736 -0.200 18487 7006 1 14 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.436 0.903 18487 7007 1 14 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.759 0.634 18487 7008 1 14 . 1 1 58 58 ILE H H 58 8.461 8.461 8.218 0.243 18487 7009 1 14 . 1 1 59 59 ASN N N 59 114.873 114.873 117.074 -2.201 18487 7010 1 14 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.447 0.031 18487 7011 1 14 . 1 1 59 59 ASN CA C 59 54.955 54.955 56.130 -1.175 18487 7012 1 14 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.553 -0.518 18487 7013 1 14 . 1 1 59 59 ASN H H 59 7.958 7.958 8.232 -0.274 18487 7014 1 14 . 1 1 60 60 HIS N N 60 115.059 115.059 116.920 -1.861 18487 7015 1 14 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.521 0.247 18487 7016 1 14 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.997 -1.660 18487 7017 1 14 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.943 -1.127 18487 7018 1 14 . 1 1 60 60 HIS H H 60 7.633 7.633 7.597 0.036 18487 7019 1 14 . 1 1 61 61 SER N N 61 115.447 115.447 113.497 1.950 18487 7020 1 14 . 1 1 61 61 SER HA H 61 5.135 5.135 5.088 0.047 18487 7021 1 14 . 1 1 61 61 SER CA C 61 56.072 56.072 55.989 0.083 18487 7022 1 14 . 1 1 61 61 SER CB C 61 63.806 63.806 64.899 -1.093 18487 7023 1 14 . 1 1 61 61 SER H H 61 7.849 7.849 7.601 0.248 18487 7024 1 14 . 1 1 62 62 LYS N N 62 132.090 132.090 127.786 4.304 18487 7025 1 14 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.005 0.040 18487 7026 1 14 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.175 0.370 18487 7027 1 14 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.249 -0.710 18487 7028 1 14 . 1 1 62 62 LYS H H 62 9.021 9.021 8.250 0.771 18487 7029 1 14 . 1 1 63 63 LEU N N 63 118.793 118.793 118.977 -0.184 18487 7030 1 14 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.053 0.073 18487 7031 1 14 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.947 -0.296 18487 7032 1 14 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.553 0.226 18487 7033 1 14 . 1 1 63 63 LEU H H 63 8.567 8.567 7.949 0.618 18487 7034 1 14 . 1 1 64 64 ALA N N 64 118.752 118.752 120.511 -1.759 18487 7035 1 14 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.846 -0.226 18487 7036 1 14 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.227 -0.170 18487 7037 1 14 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.347 0.238 18487 7038 1 14 . 1 1 64 64 ALA H H 64 7.645 7.645 7.592 0.053 18487 7039 1 14 . 1 1 65 65 GLN N N 65 115.176 115.176 117.724 -2.548 18487 7040 1 14 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.939 0.007 18487 7041 1 14 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.237 0.020 18487 7042 1 14 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.484 0.116 18487 7043 1 14 . 1 1 65 65 GLN H H 65 8.539 8.539 7.797 0.742 18487 7044 1 14 . 1 1 66 66 GLN N N 66 115.801 115.801 118.443 -2.642 18487 7045 1 14 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.107 -0.041 18487 7046 1 14 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.421 0.139 18487 7047 1 14 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.352 1.145 18487 7048 1 14 . 1 1 66 66 GLN H H 66 8.125 8.125 7.594 0.531 18487 7049 1 14 . 1 1 67 67 ILE N N 67 119.874 119.874 120.398 -0.524 18487 7050 1 14 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.609 -0.272 18487 7051 1 14 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.332 0.711 18487 7052 1 14 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.742 -0.824 18487 7053 1 14 . 1 1 67 67 ILE H H 67 8.281 8.281 7.779 0.502 18487 7054 1 14 . 1 1 68 68 PHE N N 68 114.873 114.873 117.918 -3.045 18487 7055 1 14 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.449 0.046 18487 7056 1 14 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.419 -0.728 18487 7057 1 14 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.429 -0.781 18487 7058 1 14 . 1 1 68 68 PHE H H 68 8.255 8.255 8.118 0.137 18487 7059 1 14 . 1 1 69 69 LEU N N 69 117.763 117.763 120.141 -2.378 18487 7060 1 14 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.108 0.187 18487 7061 1 14 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.698 -0.362 18487 7062 1 14 . 1 1 69 69 LEU CB C 69 43.128 43.128 41.853 1.275 18487 7063 1 14 . 1 1 69 69 LEU H H 69 7.747 7.747 7.771 -0.024 18487 7064 1 14 . 1 1 70 70 GLN N N 70 115.040 115.040 117.061 -2.021 18487 7065 1 14 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.188 0.124 18487 7066 1 14 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.953 -0.723 18487 7067 1 14 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.672 0.350 18487 7068 1 14 . 1 1 70 70 GLN H H 70 8.308 8.308 8.163 0.145 18487 7069 1 14 . 1 1 71 71 CYS N N 71 115.881 115.881 118.205 -2.324 18487 7070 1 14 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.939 0.019 18487 7071 1 14 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.254 0.147 18487 7072 1 14 . 1 1 71 71 CYS CB C 71 28.735 28.735 28.400 0.335 18487 7073 1 14 . 1 1 71 71 CYS H H 71 8.242 8.242 7.866 0.376 18487 7074 1 14 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.700 -0.137 18487 7075 1 14 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.898 0.111 18487 7076 1 14 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.159 -0.748 18487 7077 1 14 . 1 1 73 73 GLY N N 73 106.975 106.975 107.176 -0.201 18487 7078 1 14 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.548 0.730 18487 7079 1 14 . 1 1 73 73 GLY H H 73 8.657 8.657 8.296 0.361 18487 7080 1 14 . 1 1 74 74 VAL N N 74 119.448 119.448 121.323 -1.875 18487 7081 1 14 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.821 0.159 18487 7082 1 14 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.467 0.334 18487 7083 1 14 . 1 1 74 74 VAL CB C 74 31.500 31.500 30.630 0.870 18487 7084 1 14 . 1 1 74 74 VAL H H 74 7.747 7.747 7.306 0.441 18487 7085 1 14 . 1 1 75 75 GLU N N 75 129.063 129.063 126.929 2.134 18487 7086 1 14 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.317 0.150 18487 7087 1 14 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.666 -0.636 18487 7088 1 14 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.130 0.482 18487 7089 1 14 . 1 1 75 75 GLU H H 75 8.994 8.994 8.717 0.277 18487 7090 1 14 . 1 1 76 76 SER N N 76 110.068 110.068 110.128 -0.060 18487 7091 1 14 . 1 1 76 76 SER HA H 76 5.283 5.283 5.336 -0.053 18487 7092 1 14 . 1 1 76 76 SER CA C 76 57.395 57.395 57.548 -0.153 18487 7093 1 14 . 1 1 76 76 SER CB C 76 65.281 65.281 66.643 -1.362 18487 7094 1 14 . 1 1 76 76 SER H H 76 8.306 8.306 8.174 0.132 18487 7095 1 14 . 1 1 77 77 LEU N N 77 117.334 117.334 119.101 -1.767 18487 7096 1 14 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.088 0.313 18487 7097 1 14 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.772 -0.190 18487 7098 1 14 . 1 1 77 77 LEU CB C 77 46.173 46.173 46.594 -0.421 18487 7099 1 14 . 1 1 77 77 LEU H H 77 9.250 9.250 8.842 0.408 18487 7100 1 14 . 1 1 78 78 MET N N 78 121.119 121.119 121.818 -0.699 18487 7101 1 14 . 1 1 78 78 MET HA H 78 5.367 5.367 5.014 0.353 18487 7102 1 14 . 1 1 78 78 MET CA C 78 53.966 53.966 54.312 -0.346 18487 7103 1 14 . 1 1 78 78 MET CB C 78 36.374 36.374 35.502 0.872 18487 7104 1 14 . 1 1 78 78 MET H H 78 9.333 9.333 8.924 0.409 18487 7105 1 14 . 1 1 79 79 ILE N N 79 127.512 127.512 127.207 0.305 18487 7106 1 14 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.173 -0.181 18487 7107 1 14 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.762 1.864 18487 7108 1 14 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.854 2.533 18487 7109 1 14 . 1 1 79 79 ILE H H 79 9.396 9.396 8.754 0.642 18487 7110 1 14 . 1 1 80 80 GLY N N 80 117.437 117.437 114.833 2.604 18487 7111 1 14 . 1 1 80 80 GLY CA C 80 43.610 43.610 45.396 -1.786 18487 7112 1 14 . 1 1 80 80 GLY H H 80 7.916 7.916 7.802 0.114 18487 7113 1 14 . 1 1 81 81 ASP N N 81 118.860 118.860 116.652 2.208 18487 7114 1 14 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.623 0.050 18487 7115 1 14 . 1 1 81 81 ASP CA C 81 55.034 55.034 55.734 -0.700 18487 7116 1 14 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.997 -1.323 18487 7117 1 14 . 1 1 81 81 ASP H H 81 7.983 7.983 8.104 -0.121 18487 7118 1 14 . 1 1 82 82 ASP N N 82 118.682 118.682 118.941 -0.259 18487 7119 1 14 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.531 0.288 18487 7120 1 14 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.793 -3.655 18487 7121 1 14 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.222 -0.228 18487 7122 1 14 . 1 1 82 82 ASP H H 82 9.164 9.164 8.635 0.529 18487 7123 1 14 . 1 1 83 83 PHE N N 83 110.898 110.898 115.142 -4.244 18487 7124 1 14 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.260 0.590 18487 7125 1 14 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.125 -0.160 18487 7126 1 14 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.478 1.268 18487 7127 1 14 . 1 1 83 83 PHE H H 83 6.887 6.887 7.400 -0.513 18487 7128 1 14 . 1 1 84 84 LEU N N 84 121.119 121.119 120.112 1.007 18487 7129 1 14 . 1 1 84 84 LEU HA H 84 5.233 5.233 4.963 0.270 18487 7130 1 14 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.488 -0.522 18487 7131 1 14 . 1 1 84 84 LEU CB C 84 47.408 47.408 46.519 0.889 18487 7132 1 14 . 1 1 84 84 LEU H H 84 9.118 9.118 8.849 0.269 18487 7133 1 14 . 1 1 85 85 THR N N 85 125.430 125.430 121.692 3.738 18487 7134 1 14 . 1 1 85 85 THR HA H 85 5.639 5.639 5.198 0.441 18487 7135 1 14 . 1 1 85 85 THR CA C 85 61.743 61.743 61.663 0.080 18487 7136 1 14 . 1 1 85 85 THR CB C 85 69.835 69.835 71.216 -1.381 18487 7137 1 14 . 1 1 85 85 THR H H 85 9.780 9.780 8.656 1.124 18487 7138 1 14 . 1 1 86 86 ILE N N 86 126.778 126.778 126.428 0.350 18487 7139 1 14 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.395 0.316 18487 7140 1 14 . 1 1 86 86 ILE CA C 86 57.705 57.705 58.957 -1.252 18487 7141 1 14 . 1 1 86 86 ILE CB C 86 39.344 39.344 38.724 0.620 18487 7142 1 14 . 1 1 86 86 ILE H H 86 9.151 9.151 8.949 0.202 18487 7143 1 14 . 1 1 87 87 ASN N N 87 124.785 124.785 127.399 -2.614 18487 7144 1 14 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.578 0.448 18487 7145 1 14 . 1 1 87 87 ASN CA C 87 52.032 52.032 51.662 0.370 18487 7146 1 14 . 1 1 87 87 ASN CB C 87 39.679 39.679 39.922 -0.243 18487 7147 1 14 . 1 1 87 87 ASN H H 87 8.680 8.680 8.859 -0.179 18487 7148 1 14 . 1 1 88 88 LYS N N 88 122.617 122.617 124.419 -1.802 18487 7149 1 14 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.597 0.642 18487 7150 1 14 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.580 -0.066 18487 7151 1 14 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.565 1.690 18487 7152 1 14 . 1 1 88 88 LYS H H 88 9.361 9.361 8.292 1.069 18487 7153 1 14 . 1 1 89 89 ASP N N 89 121.211 121.211 120.073 1.138 18487 7154 1 14 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.820 -0.359 18487 7155 1 14 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.975 -0.080 18487 7156 1 14 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.961 -0.216 18487 7157 1 14 . 1 1 89 89 ASP H H 89 8.454 8.454 8.060 0.394 18487 7158 1 14 . 1 1 90 90 ARG N N 90 124.551 124.551 125.151 -0.600 18487 7159 1 14 . 1 1 90 90 ARG HA H 90 4.074 4.074 3.943 0.131 18487 7160 1 14 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.317 -0.208 18487 7161 1 14 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.762 0.133 18487 7162 1 14 . 1 1 90 90 ARG H H 90 8.475 8.475 8.487 -0.012 18487 7163 1 14 . 1 1 91 91 MET N N 91 115.821 115.821 116.486 -0.665 18487 7164 1 14 . 1 1 91 91 MET HA H 91 4.424 4.424 4.229 0.195 18487 7165 1 14 . 1 1 91 91 MET CA C 91 55.206 55.206 55.433 -0.227 18487 7166 1 14 . 1 1 91 91 MET CB C 91 31.307 31.307 32.404 -1.097 18487 7167 1 14 . 1 1 91 91 MET H H 91 8.725 8.725 7.833 0.892 18487 7168 1 14 . 1 1 92 92 VAL N N 92 119.922 119.922 118.971 0.951 18487 7169 1 14 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.935 0.171 18487 7170 1 14 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.000 0.058 18487 7171 1 14 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.282 0.862 18487 7172 1 14 . 1 1 92 92 VAL H H 92 7.348 7.348 7.173 0.175 18487 7173 1 14 . 1 1 93 93 HIS N N 93 125.619 125.619 120.983 4.636 18487 7174 1 14 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.746 -0.150 18487 7175 1 14 . 1 1 93 93 HIS CA C 93 55.394 55.394 54.800 0.594 18487 7176 1 14 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.279 -0.621 18487 7177 1 14 . 1 1 93 93 HIS H H 93 8.851 8.851 8.115 0.736 18487 7178 1 14 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.410 0.590 18487 7179 1 14 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.359 -0.360 18487 7180 1 14 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.179 0.821 18487 7181 1 14 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.483 0.214 18487 7182 1 14 . 1 1 95 95 ASN CA C 95 56.027 56.027 56.087 -0.060 18487 7183 1 14 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.082 -0.931 18487 7184 1 14 . 1 1 96 96 SER N N 96 113.047 113.047 111.643 1.404 18487 7185 1 14 . 1 1 96 96 SER HA H 96 4.628 4.628 4.563 0.065 18487 7186 1 14 . 1 1 96 96 SER CA C 96 60.183 60.183 58.535 1.648 18487 7187 1 14 . 1 1 96 96 SER CB C 96 63.901 63.901 64.332 -0.431 18487 7188 1 14 . 1 1 96 96 SER H H 96 8.064 8.064 7.755 0.309 18487 7189 1 14 . 1 1 97 97 ILE N N 97 116.621 116.621 121.973 -5.352 18487 7190 1 14 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.362 0.280 18487 7191 1 14 . 1 1 97 97 ILE CA C 97 62.778 62.778 62.660 0.118 18487 7192 1 14 . 1 1 97 97 ILE CB C 97 42.427 42.427 39.435 2.992 18487 7193 1 14 . 1 1 97 97 ILE H H 97 7.705 7.705 7.641 0.064 18487 7194 1 14 . 1 1 98 98 LYS N N 98 120.198 120.198 121.612 -1.414 18487 7195 1 14 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.543 -0.286 18487 7196 1 14 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.358 0.355 18487 7197 1 14 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.052 -0.079 18487 7198 1 14 . 1 1 98 98 LYS H H 98 9.132 9.132 8.447 0.685 18487 7199 1 14 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.336 -0.052 18487 7200 1 14 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.917 0.417 18487 7201 1 14 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.015 -0.614 18487 7202 1 14 . 1 1 100 100 GLU N N 100 117.097 117.097 119.213 -2.116 18487 7203 1 14 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.131 0.021 18487 7204 1 14 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.190 -0.371 18487 7205 1 14 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.813 0.603 18487 7206 1 14 . 1 1 100 100 GLU H H 100 7.447 7.447 7.811 -0.364 18487 7207 1 14 . 1 1 101 101 ILE N N 101 118.326 118.326 120.320 -1.994 18487 7208 1 14 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.611 -0.247 18487 7209 1 14 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.115 -1.754 18487 7210 1 14 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.435 -1.586 18487 7211 1 14 . 1 1 101 101 ILE H H 101 7.896 7.896 7.619 0.277 18487 7212 1 14 . 1 1 102 102 ILE N N 102 118.368 118.368 120.879 -2.511 18487 7213 1 14 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.628 -0.220 18487 7214 1 14 . 1 1 102 102 ILE CA C 102 66.246 66.246 66.114 0.132 18487 7215 1 14 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.736 -0.496 18487 7216 1 14 . 1 1 102 102 ILE H H 102 8.243 8.243 8.266 -0.023 18487 7217 1 14 . 1 1 103 103 ASP N N 103 122.381 122.381 119.575 2.806 18487 7218 1 14 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.389 -0.011 18487 7219 1 14 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.318 0.664 18487 7220 1 14 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.958 0.576 18487 7221 1 14 . 1 1 103 103 ASP H H 103 7.900 7.900 7.784 0.116 18487 7222 1 14 . 1 1 104 104 LEU N N 104 119.007 119.007 120.460 -1.453 18487 7223 1 14 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.984 0.014 18487 7224 1 14 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.862 -0.123 18487 7225 1 14 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.923 0.218 18487 7226 1 14 . 1 1 104 104 LEU H H 104 8.261 8.261 7.872 0.389 18487 7227 1 14 . 1 1 105 105 LEU N N 105 120.443 120.443 117.379 3.064 18487 7228 1 14 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.110 -0.123 18487 7229 1 14 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.055 -0.554 18487 7230 1 14 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.130 0.957 18487 7231 1 14 . 1 1 105 105 LEU H H 105 9.022 9.022 8.089 0.933 18487 7232 1 14 . 1 1 106 106 THR N N 106 114.821 114.821 114.933 -0.112 18487 7233 1 14 . 1 1 106 106 THR HA H 106 3.698 3.698 4.078 -0.380 18487 7234 1 14 . 1 1 106 106 THR CA C 106 67.610 67.610 65.843 1.767 18487 7235 1 14 . 1 1 106 106 THR CB C 106 68.325 68.325 68.540 -0.215 18487 7236 1 14 . 1 1 106 106 THR H H 106 8.273 8.273 7.320 0.953 18487 7237 1 14 . 1 1 107 107 LYS N N 107 120.049 120.049 121.732 -1.683 18487 7238 1 14 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.724 0.183 18487 7239 1 14 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.077 0.378 18487 7240 1 14 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.368 0.994 18487 7241 1 14 . 1 1 107 107 LYS H H 107 7.691 7.691 8.166 -0.475 18487 7242 1 14 . 1 1 108 108 GLN N N 108 118.375 118.375 118.724 -0.349 18487 7243 1 14 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.328 -0.310 18487 7244 1 14 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.188 -1.205 18487 7245 1 14 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.583 -0.928 18487 7246 1 14 . 1 1 108 108 GLN H H 108 7.888 7.888 7.745 0.143 18487 7247 1 14 . 1 1 109 109 LEU N N 109 118.066 118.066 118.260 -0.194 18487 7248 1 14 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.264 -0.082 18487 7249 1 14 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.853 -0.386 18487 7250 1 14 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.820 -0.010 18487 7251 1 14 . 1 1 109 109 LEU H H 109 8.269 8.269 7.673 0.596 18487 7252 1 14 . 1 1 110 110 ALA N N 110 120.909 120.909 121.053 -0.144 18487 7253 1 14 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.072 -0.040 18487 7254 1 14 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.478 -0.238 18487 7255 1 14 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.258 0.409 18487 7256 1 14 . 1 1 110 110 ALA H H 110 8.171 8.171 7.511 0.660 18487 7257 1 14 . 1 1 111 111 TYR N N 111 114.611 114.611 117.205 -2.594 18487 7258 1 14 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.393 0.249 18487 7259 1 14 . 1 1 111 111 TYR CA C 111 57.927 57.927 59.290 -1.363 18487 7260 1 14 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.570 -0.098 18487 7261 1 14 . 1 1 111 111 TYR H H 111 7.763 7.763 7.981 -0.218 18487 7262 1 14 . 1 1 112 112 GLY N N 112 107.916 107.916 106.650 1.266 18487 7263 1 14 . 1 1 112 112 GLY CA C 112 46.208 46.208 44.844 1.364 18487 7264 1 14 . 1 1 112 112 GLY H H 112 7.941 7.941 7.678 0.263 18487 7265 1 14 . 1 1 113 113 GLU N N 113 119.571 119.571 120.044 -0.473 18487 7266 1 14 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.718 -0.328 18487 7267 1 14 . 1 1 113 113 GLU CA C 113 56.025 56.025 54.645 1.380 18487 7268 1 14 . 1 1 113 113 GLU CB C 113 30.403 30.403 32.747 -2.344 18487 7269 1 14 . 1 1 113 113 GLU H H 113 8.166 8.166 8.182 -0.016 18487 7270 1 14 . 1 1 114 114 ASP N N 114 121.457 121.457 118.426 3.031 18487 7271 1 14 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.760 -0.135 18487 7272 1 14 . 1 1 114 114 ASP CA C 114 55.075 55.075 52.567 2.508 18487 7273 1 14 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.555 -1.558 18487 7274 1 14 . 1 1 114 114 ASP H H 114 8.560 8.560 8.417 0.143 18487 7275 1 14 . 1 1 115 115 VAL N N 115 120.645 120.645 117.746 2.899 18487 7276 1 14 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.240 -0.161 18487 7277 1 14 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.827 -0.308 18487 7278 1 14 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.653 -0.820 18487 7279 1 14 . 1 1 115 115 VAL H H 115 8.659 8.659 8.413 0.246 18487 7280 1 14 . 1 1 116 116 ILE N N 116 120.775 120.775 119.740 1.035 18487 7281 1 14 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.060 0.603 18487 7282 1 14 . 1 1 116 116 ILE CA C 116 59.736 59.736 61.836 -2.100 18487 7283 1 14 . 1 1 116 116 ILE CB C 116 39.798 39.798 36.146 3.652 18487 7284 1 14 . 1 1 116 116 ILE H H 116 7.881 7.881 7.986 -0.105 18487 7285 1 14 . 1 1 117 117 SER N N 117 121.192 121.192 122.324 -1.132 18487 7286 1 14 . 1 1 117 117 SER HA H 117 4.641 4.641 4.522 0.119 18487 7287 1 14 . 1 1 117 117 SER CA C 117 57.846 57.846 56.327 1.519 18487 7288 1 14 . 1 1 117 117 SER CB C 117 63.962 63.962 65.502 -1.540 18487 7289 1 14 . 1 1 117 117 SER H H 117 8.767 8.767 8.406 0.361 18487 7290 1 14 . 1 1 118 118 LYS N N 118 124.317 124.317 115.201 9.116 18487 7291 1 14 . 1 1 118 118 LYS HA H 118 4.356 4.356 3.956 0.400 18487 7292 1 14 . 1 1 118 118 LYS CA C 118 56.537 56.537 57.168 -0.631 18487 7293 1 14 . 1 1 118 118 LYS CB C 118 33.050 33.050 30.651 2.399 18487 7294 1 14 . 1 1 118 118 LYS H H 118 8.633 8.633 8.478 0.155 18487 7295 1 15 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.699 -0.019 18487 7296 1 15 . 1 1 11 11 MET N N 11 120.918 120.918 121.535 -0.617 18487 7297 1 15 . 1 1 11 11 MET HA H 11 4.435 4.435 4.455 -0.020 18487 7298 1 15 . 1 1 11 11 MET CA C 11 55.736 55.736 54.269 1.467 18487 7299 1 15 . 1 1 11 11 MET CB C 11 32.501 32.501 32.563 -0.062 18487 7300 1 15 . 1 1 11 11 MET H H 11 8.289 8.289 8.593 -0.304 18487 7301 1 15 . 1 1 12 12 ASN N N 12 120.356 120.356 124.152 -3.796 18487 7302 1 15 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.899 -0.141 18487 7303 1 15 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.008 0.480 18487 7304 1 15 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.310 0.266 18487 7305 1 15 . 1 1 12 12 ASN H H 12 8.583 8.583 8.883 -0.300 18487 7306 1 15 . 1 1 13 13 SER N N 13 116.582 116.582 118.437 -1.855 18487 7307 1 15 . 1 1 13 13 SER HA H 13 4.378 4.378 4.414 -0.036 18487 7308 1 15 . 1 1 13 13 SER CA C 13 58.842 58.842 58.698 0.144 18487 7309 1 15 . 1 1 13 13 SER CB C 13 63.403 63.403 63.074 0.329 18487 7310 1 15 . 1 1 13 13 SER H H 13 8.319 8.319 8.627 -0.308 18487 7311 1 15 . 1 1 14 14 GLN N N 14 121.369 121.369 123.493 -2.124 18487 7312 1 15 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.096 0.222 18487 7313 1 15 . 1 1 14 14 GLN CA C 14 56.099 56.099 57.571 -1.472 18487 7314 1 15 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.088 -0.144 18487 7315 1 15 . 1 1 14 14 GLN H H 14 8.365 8.365 8.299 0.066 18487 7316 1 15 . 1 1 15 15 ARG N N 15 121.565 121.565 119.221 2.344 18487 7317 1 15 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.442 -0.128 18487 7318 1 15 . 1 1 15 15 ARG CA C 15 55.888 55.888 54.911 0.977 18487 7319 1 15 . 1 1 15 15 ARG CB C 15 30.427 30.427 29.310 1.117 18487 7320 1 15 . 1 1 15 15 ARG H H 15 8.084 8.084 8.122 -0.038 18487 7321 1 15 . 1 1 16 16 LEU N N 16 123.810 123.810 120.940 2.870 18487 7322 1 15 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.734 -0.391 18487 7323 1 15 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.895 0.745 18487 7324 1 15 . 1 1 16 16 LEU CB C 16 42.062 42.062 43.047 -0.985 18487 7325 1 15 . 1 1 16 16 LEU H H 16 8.254 8.254 8.189 0.065 18487 7326 1 15 . 1 1 17 17 ILE N N 17 122.996 122.996 123.298 -0.302 18487 7327 1 15 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.062 0.092 18487 7328 1 15 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.444 -0.230 18487 7329 1 15 . 1 1 17 17 ILE CB C 17 38.784 38.784 39.510 -0.726 18487 7330 1 15 . 1 1 17 17 ILE H H 17 8.006 8.006 8.022 -0.016 18487 7331 1 15 . 1 1 18 18 HIS N N 18 126.123 126.123 125.728 0.395 18487 7332 1 15 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.487 0.358 18487 7333 1 15 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.128 -0.923 18487 7334 1 15 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.067 1.130 18487 7335 1 15 . 1 1 18 18 HIS H H 18 9.025 9.025 8.446 0.579 18487 7336 1 15 . 1 1 19 19 ILE N N 19 124.783 124.783 124.874 -0.091 18487 7337 1 15 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.760 0.230 18487 7338 1 15 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.543 -1.035 18487 7339 1 15 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.090 0.260 18487 7340 1 15 . 1 1 19 19 ILE H H 19 8.485 8.485 8.172 0.313 18487 7341 1 15 . 1 1 20 20 LYS N N 20 128.184 128.184 129.209 -1.025 18487 7342 1 15 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.639 0.120 18487 7343 1 15 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.281 -1.152 18487 7344 1 15 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.854 0.787 18487 7345 1 15 . 1 1 20 20 LYS H H 20 9.253 9.253 8.559 0.694 18487 7346 1 15 . 1 1 21 21 THR N N 21 114.649 114.649 121.121 -6.472 18487 7347 1 15 . 1 1 21 21 THR HA H 21 4.930 4.930 4.500 0.430 18487 7348 1 15 . 1 1 21 21 THR CA C 21 60.191 60.191 61.741 -1.550 18487 7349 1 15 . 1 1 21 21 THR CB C 21 69.966 69.966 69.093 0.873 18487 7350 1 15 . 1 1 21 21 THR H H 21 8.232 8.232 8.438 -0.206 18487 7351 1 15 . 1 1 22 22 LEU N N 22 125.973 125.973 130.558 -4.585 18487 7352 1 15 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.657 0.022 18487 7353 1 15 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.270 0.483 18487 7354 1 15 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.407 -0.273 18487 7355 1 15 . 1 1 22 22 LEU H H 22 9.156 9.156 8.712 0.444 18487 7356 1 15 . 1 1 23 23 THR N N 23 112.582 112.582 113.675 -1.093 18487 7357 1 15 . 1 1 23 23 THR HA H 23 4.281 4.281 4.196 0.085 18487 7358 1 15 . 1 1 23 23 THR CA C 23 61.474 61.474 61.864 -0.390 18487 7359 1 15 . 1 1 23 23 THR CB C 23 69.759 69.759 69.516 0.243 18487 7360 1 15 . 1 1 23 23 THR H H 23 7.912 7.912 8.355 -0.443 18487 7361 1 15 . 1 1 24 24 THR N N 24 112.952 112.952 114.311 -1.359 18487 7362 1 15 . 1 1 24 24 THR HA H 24 5.040 5.040 4.686 0.354 18487 7363 1 15 . 1 1 24 24 THR CA C 24 60.000 60.000 58.186 1.814 18487 7364 1 15 . 1 1 24 24 THR CB C 24 69.872 69.872 69.999 -0.127 18487 7365 1 15 . 1 1 24 24 THR H H 24 8.793 8.793 8.147 0.646 18487 7366 1 15 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.311 0.134 18487 7367 1 15 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.818 0.504 18487 7368 1 15 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.911 -0.331 18487 7369 1 15 . 1 1 26 26 ASN N N 26 115.534 115.534 118.893 -3.359 18487 7370 1 15 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.871 0.064 18487 7371 1 15 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.253 -1.216 18487 7372 1 15 . 1 1 26 26 ASN CB C 26 39.722 39.722 39.329 0.393 18487 7373 1 15 . 1 1 26 26 ASN H H 26 7.774 7.774 8.241 -0.467 18487 7374 1 15 . 1 1 27 27 GLU N N 27 127.099 127.099 124.298 2.801 18487 7375 1 15 . 1 1 27 27 GLU HA H 27 4.410 4.410 3.964 0.446 18487 7376 1 15 . 1 1 27 27 GLU CA C 27 58.958 58.958 59.542 -0.584 18487 7377 1 15 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.587 -0.482 18487 7378 1 15 . 1 1 27 27 GLU H H 27 9.428 9.428 9.017 0.411 18487 7379 1 15 . 1 1 28 28 ASN N N 28 115.176 115.176 114.197 0.979 18487 7380 1 15 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.909 0.077 18487 7381 1 15 . 1 1 28 28 ASN CA C 28 53.784 53.784 52.573 1.211 18487 7382 1 15 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.160 0.385 18487 7383 1 15 . 1 1 28 28 ASN H H 28 8.591 8.591 8.441 0.150 18487 7384 1 15 . 1 1 29 29 ALA N N 29 123.317 123.317 122.303 1.014 18487 7385 1 15 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.700 0.676 18487 7386 1 15 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.495 0.815 18487 7387 1 15 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.972 0.186 18487 7388 1 15 . 1 1 29 29 ALA H H 29 8.210 8.210 7.338 0.872 18487 7389 1 15 . 1 1 30 30 LEU N N 30 124.426 124.426 120.335 4.091 18487 7390 1 15 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.155 0.353 18487 7391 1 15 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.640 -0.980 18487 7392 1 15 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.566 0.985 18487 7393 1 15 . 1 1 30 30 LEU H H 30 8.550 8.550 8.252 0.298 18487 7394 1 15 . 1 1 31 31 LYS N N 31 123.555 123.555 126.589 -3.034 18487 7395 1 15 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.455 0.684 18487 7396 1 15 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.603 -0.520 18487 7397 1 15 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.176 1.995 18487 7398 1 15 . 1 1 31 31 LYS H H 31 8.169 8.169 7.952 0.217 18487 7399 1 15 . 1 1 32 32 PHE N N 32 124.529 124.529 125.676 -1.147 18487 7400 1 15 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.825 0.150 18487 7401 1 15 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.238 -0.764 18487 7402 1 15 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.352 -0.275 18487 7403 1 15 . 1 1 32 32 PHE H H 32 9.634 9.634 8.801 0.833 18487 7404 1 15 . 1 1 33 33 LEU N N 33 122.712 122.712 126.324 -3.612 18487 7405 1 15 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.823 0.241 18487 7406 1 15 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.734 0.653 18487 7407 1 15 . 1 1 33 33 LEU CB C 33 45.826 45.826 44.911 0.915 18487 7408 1 15 . 1 1 33 33 LEU H H 33 9.174 9.174 9.137 0.037 18487 7409 1 15 . 1 1 34 34 SER N N 34 117.120 117.120 123.828 -6.708 18487 7410 1 15 . 1 1 34 34 SER HA H 34 5.116 5.116 4.803 0.313 18487 7411 1 15 . 1 1 34 34 SER CA C 34 56.626 56.626 58.149 -1.523 18487 7412 1 15 . 1 1 34 34 SER CB C 34 64.053 64.053 62.915 1.138 18487 7413 1 15 . 1 1 34 34 SER H H 34 8.979 8.979 8.778 0.201 18487 7414 1 15 . 1 1 35 35 THR N N 35 117.097 117.097 118.562 -1.465 18487 7415 1 15 . 1 1 35 35 THR HA H 35 4.460 4.460 4.435 0.025 18487 7416 1 15 . 1 1 35 35 THR CA C 35 62.944 62.944 61.738 1.206 18487 7417 1 15 . 1 1 35 35 THR CB C 35 69.779 69.779 69.015 0.764 18487 7418 1 15 . 1 1 35 35 THR H H 35 8.646 8.646 8.010 0.636 18487 7419 1 15 . 1 1 36 36 ASP N N 36 120.039 120.039 125.776 -5.737 18487 7420 1 15 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.353 0.502 18487 7421 1 15 . 1 1 36 36 ASP CA C 36 54.741 54.741 54.996 -0.255 18487 7422 1 15 . 1 1 36 36 ASP CB C 36 41.519 41.519 40.585 0.934 18487 7423 1 15 . 1 1 36 36 ASP H H 36 8.711 8.711 8.606 0.105 18487 7424 1 15 . 1 1 37 37 GLY N N 37 107.015 107.015 107.956 -0.941 18487 7425 1 15 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.698 0.931 18487 7426 1 15 . 1 1 37 37 GLY H H 37 8.020 8.020 8.249 -0.229 18487 7427 1 15 . 1 1 38 38 GLU N N 38 120.021 120.021 119.876 0.145 18487 7428 1 15 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.546 -0.268 18487 7429 1 15 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.796 1.347 18487 7430 1 15 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.914 -1.597 18487 7431 1 15 . 1 1 38 38 GLU H H 38 8.101 8.101 8.412 -0.311 18487 7432 1 15 . 1 1 39 39 MET N N 39 121.372 121.372 123.272 -1.900 18487 7433 1 15 . 1 1 39 39 MET HA H 39 4.799 4.799 4.534 0.265 18487 7434 1 15 . 1 1 39 39 MET CA C 39 54.229 54.229 54.447 -0.218 18487 7435 1 15 . 1 1 39 39 MET CB C 39 33.392 33.392 31.901 1.490 18487 7436 1 15 . 1 1 39 39 MET H H 39 8.571 8.571 8.641 -0.070 18487 7437 1 15 . 1 1 40 40 LEU N N 40 121.913 121.913 125.778 -3.865 18487 7438 1 15 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.134 0.125 18487 7439 1 15 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.688 0.456 18487 7440 1 15 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.060 0.366 18487 7441 1 15 . 1 1 40 40 LEU H H 40 8.572 8.572 8.045 0.527 18487 7442 1 15 . 1 1 41 41 GLN N N 41 114.647 114.647 116.942 -2.295 18487 7443 1 15 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.411 0.257 18487 7444 1 15 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.987 -0.590 18487 7445 1 15 . 1 1 41 41 GLN CB C 41 35.290 35.290 30.670 4.620 18487 7446 1 15 . 1 1 41 41 GLN H H 41 8.420 8.420 7.412 1.008 18487 7447 1 15 . 1 1 42 42 THR N N 42 111.706 111.706 120.898 -9.192 18487 7448 1 15 . 1 1 42 42 THR HA H 42 4.038 4.038 4.405 -0.367 18487 7449 1 15 . 1 1 42 42 THR CA C 42 63.082 63.082 62.734 0.348 18487 7450 1 15 . 1 1 42 42 THR CB C 42 69.264 69.264 67.746 1.518 18487 7451 1 15 . 1 1 42 42 THR H H 42 8.205 8.205 8.670 -0.465 18487 7452 1 15 . 1 1 43 43 ARG N N 43 126.367 126.367 120.043 6.324 18487 7453 1 15 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.164 -0.015 18487 7454 1 15 . 1 1 43 43 ARG CA C 43 57.433 57.433 58.672 -1.239 18487 7455 1 15 . 1 1 43 43 ARG CB C 43 28.927 28.927 28.352 0.575 18487 7456 1 15 . 1 1 43 43 ARG H H 43 8.885 8.885 7.452 1.433 18487 7457 1 15 . 1 1 44 44 GLY N N 44 116.299 116.299 110.300 5.999 18487 7458 1 15 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.328 -0.452 18487 7459 1 15 . 1 1 44 44 GLY H H 44 9.999 9.999 8.026 1.973 18487 7460 1 15 . 1 1 45 45 SER N N 45 117.374 117.374 116.039 1.335 18487 7461 1 15 . 1 1 45 45 SER HA H 45 4.316 4.316 4.561 -0.245 18487 7462 1 15 . 1 1 45 45 SER CA C 45 59.967 59.967 57.242 2.725 18487 7463 1 15 . 1 1 45 45 SER CB C 45 63.866 63.866 64.249 -0.383 18487 7464 1 15 . 1 1 45 45 SER H H 45 8.034 8.034 7.793 0.241 18487 7465 1 15 . 1 1 46 46 LYS N N 46 124.024 124.024 123.709 0.315 18487 7466 1 15 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.414 -0.157 18487 7467 1 15 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.984 0.318 18487 7468 1 15 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.001 -0.324 18487 7469 1 15 . 1 1 46 46 LYS H H 46 8.560 8.560 8.441 0.119 18487 7470 1 15 . 1 1 47 47 SER N N 47 119.851 119.851 116.269 3.582 18487 7471 1 15 . 1 1 47 47 SER HA H 47 4.824 4.824 4.579 0.245 18487 7472 1 15 . 1 1 47 47 SER CA C 47 57.920 57.920 57.874 0.046 18487 7473 1 15 . 1 1 47 47 SER CB C 47 63.770 63.770 63.165 0.605 18487 7474 1 15 . 1 1 47 47 SER H H 47 8.663 8.663 8.427 0.236 18487 7475 1 15 . 1 1 48 48 ILE N N 48 124.054 124.054 126.724 -2.670 18487 7476 1 15 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.994 0.363 18487 7477 1 15 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.521 -1.409 18487 7478 1 15 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.170 2.927 18487 7479 1 15 . 1 1 48 48 ILE H H 48 8.619 8.619 7.940 0.679 18487 7480 1 15 . 1 1 49 49 VAL N N 49 128.260 128.260 129.408 -1.148 18487 7481 1 15 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.463 0.269 18487 7482 1 15 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.501 -0.489 18487 7483 1 15 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.629 0.982 18487 7484 1 15 . 1 1 49 49 VAL H H 49 8.498 8.498 8.537 -0.039 18487 7485 1 15 . 1 1 50 50 ILE N N 50 127.715 127.715 130.811 -3.096 18487 7486 1 15 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.329 0.174 18487 7487 1 15 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.624 0.866 18487 7488 1 15 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.746 2.717 18487 7489 1 15 . 1 1 50 50 ILE H H 50 9.236 9.236 8.978 0.258 18487 7490 1 15 . 1 1 51 51 LYS N N 51 127.422 127.422 127.517 -0.095 18487 7491 1 15 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.840 -0.180 18487 7492 1 15 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.654 -0.104 18487 7493 1 15 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.798 0.145 18487 7494 1 15 . 1 1 51 51 LYS H H 51 9.673 9.673 8.459 1.214 18487 7495 1 15 . 1 1 52 52 ASN N N 52 117.981 117.981 119.210 -1.229 18487 7496 1 15 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.577 -0.829 18487 7497 1 15 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.996 0.171 18487 7498 1 15 . 1 1 52 52 ASN CB C 52 36.383 36.383 38.108 -1.724 18487 7499 1 15 . 1 1 52 52 ASN H H 52 8.119 8.119 8.633 -0.514 18487 7500 1 15 . 1 1 53 53 THR N N 53 105.425 105.425 114.167 -8.742 18487 7501 1 15 . 1 1 53 53 THR HA H 53 4.218 4.218 4.157 0.061 18487 7502 1 15 . 1 1 53 53 THR CA C 53 60.619 60.619 63.737 -3.118 18487 7503 1 15 . 1 1 53 53 THR CB C 53 69.221 69.221 68.841 0.381 18487 7504 1 15 . 1 1 53 53 THR H H 53 6.908 6.908 7.961 -1.053 18487 7505 1 15 . 1 1 54 54 ASP N N 54 125.547 125.547 123.641 1.906 18487 7506 1 15 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.632 0.334 18487 7507 1 15 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.440 -0.927 18487 7508 1 15 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.147 0.809 18487 7509 1 15 . 1 1 54 54 ASP H H 54 7.811 7.811 8.048 -0.237 18487 7510 1 15 . 1 1 55 55 GLU N N 55 123.946 123.946 122.600 1.346 18487 7511 1 15 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.787 0.036 18487 7512 1 15 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.539 0.585 18487 7513 1 15 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.845 0.087 18487 7514 1 15 . 1 1 55 55 GLU H H 55 7.919 7.919 7.675 0.244 18487 7515 1 15 . 1 1 56 56 ASN N N 56 115.295 115.295 116.105 -0.810 18487 7516 1 15 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.376 0.178 18487 7517 1 15 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.474 0.634 18487 7518 1 15 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.468 0.799 18487 7519 1 15 . 1 1 56 56 ASN H H 56 8.728 8.728 8.588 0.140 18487 7520 1 15 . 1 1 57 57 LEU N N 57 120.223 120.223 118.492 1.731 18487 7521 1 15 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.013 0.222 18487 7522 1 15 . 1 1 57 57 LEU CA C 57 57.589 57.589 56.082 1.507 18487 7523 1 15 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.208 0.704 18487 7524 1 15 . 1 1 57 57 LEU H H 57 7.621 7.621 7.358 0.263 18487 7525 1 15 . 1 1 58 58 ILE N N 58 120.489 120.489 120.927 -0.438 18487 7526 1 15 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.737 -0.201 18487 7527 1 15 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.198 1.141 18487 7528 1 15 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.532 0.861 18487 7529 1 15 . 1 1 58 58 ILE H H 58 8.461 8.461 7.387 1.074 18487 7530 1 15 . 1 1 59 59 ASN N N 59 114.873 114.873 116.301 -1.428 18487 7531 1 15 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.532 -0.054 18487 7532 1 15 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.325 -0.370 18487 7533 1 15 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.607 -0.572 18487 7534 1 15 . 1 1 59 59 ASN H H 59 7.958 7.958 8.023 -0.065 18487 7535 1 15 . 1 1 60 60 HIS N N 60 115.059 115.059 116.366 -1.307 18487 7536 1 15 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.585 0.183 18487 7537 1 15 . 1 1 60 60 HIS CA C 60 56.337 56.337 56.146 0.191 18487 7538 1 15 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.421 -0.605 18487 7539 1 15 . 1 1 60 60 HIS H H 60 7.633 7.633 7.260 0.373 18487 7540 1 15 . 1 1 61 61 SER N N 61 115.447 115.447 112.136 3.311 18487 7541 1 15 . 1 1 61 61 SER HA H 61 5.135 5.135 4.808 0.327 18487 7542 1 15 . 1 1 61 61 SER CA C 61 56.072 56.072 57.478 -1.406 18487 7543 1 15 . 1 1 61 61 SER CB C 61 63.806 63.806 64.622 -0.816 18487 7544 1 15 . 1 1 61 61 SER H H 61 7.849 7.849 7.682 0.167 18487 7545 1 15 . 1 1 62 62 LYS N N 62 132.090 132.090 129.752 2.338 18487 7546 1 15 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.117 -0.073 18487 7547 1 15 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.641 0.904 18487 7548 1 15 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.323 -0.784 18487 7549 1 15 . 1 1 62 62 LYS H H 62 9.021 9.021 8.892 0.129 18487 7550 1 15 . 1 1 63 63 LEU N N 63 118.793 118.793 119.535 -0.742 18487 7551 1 15 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.098 0.028 18487 7552 1 15 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.636 0.014 18487 7553 1 15 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.515 0.264 18487 7554 1 15 . 1 1 63 63 LEU H H 63 8.567 8.567 7.759 0.808 18487 7555 1 15 . 1 1 64 64 ALA N N 64 118.752 118.752 120.585 -1.833 18487 7556 1 15 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.791 -0.171 18487 7557 1 15 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.165 -0.108 18487 7558 1 15 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.276 0.309 18487 7559 1 15 . 1 1 64 64 ALA H H 64 7.645 7.645 7.607 0.038 18487 7560 1 15 . 1 1 65 65 GLN N N 65 115.176 115.176 117.909 -2.733 18487 7561 1 15 . 1 1 65 65 GLN HA H 65 3.946 3.946 4.033 -0.087 18487 7562 1 15 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.185 0.072 18487 7563 1 15 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.539 0.061 18487 7564 1 15 . 1 1 65 65 GLN H H 65 8.539 8.539 7.848 0.691 18487 7565 1 15 . 1 1 66 66 GLN N N 66 115.801 115.801 118.265 -2.464 18487 7566 1 15 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.147 -0.081 18487 7567 1 15 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.100 0.460 18487 7568 1 15 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.257 1.240 18487 7569 1 15 . 1 1 66 66 GLN H H 66 8.125 8.125 7.764 0.361 18487 7570 1 15 . 1 1 67 67 ILE N N 67 119.874 119.874 120.573 -0.699 18487 7571 1 15 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.622 -0.285 18487 7572 1 15 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.288 0.755 18487 7573 1 15 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.671 -0.753 18487 7574 1 15 . 1 1 67 67 ILE H H 67 8.281 8.281 7.746 0.535 18487 7575 1 15 . 1 1 68 68 PHE N N 68 114.873 114.873 117.770 -2.897 18487 7576 1 15 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.422 0.073 18487 7577 1 15 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.059 -0.368 18487 7578 1 15 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.319 -0.671 18487 7579 1 15 . 1 1 68 68 PHE H H 68 8.255 8.255 7.840 0.415 18487 7580 1 15 . 1 1 69 69 LEU N N 69 117.763 117.763 119.764 -2.001 18487 7581 1 15 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.046 0.249 18487 7582 1 15 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.465 -0.129 18487 7583 1 15 . 1 1 69 69 LEU CB C 69 43.128 43.128 41.981 1.147 18487 7584 1 15 . 1 1 69 69 LEU H H 69 7.747 7.747 7.710 0.037 18487 7585 1 15 . 1 1 70 70 GLN N N 70 115.040 115.040 117.120 -2.080 18487 7586 1 15 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.079 0.233 18487 7587 1 15 . 1 1 70 70 GLN CA C 70 57.230 57.230 58.165 -0.935 18487 7588 1 15 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.448 0.574 18487 7589 1 15 . 1 1 70 70 GLN H H 70 8.308 8.308 8.101 0.207 18487 7590 1 15 . 1 1 71 71 CYS N N 71 115.881 115.881 116.669 -0.788 18487 7591 1 15 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.896 0.062 18487 7592 1 15 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.447 -0.046 18487 7593 1 15 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.076 -0.341 18487 7594 1 15 . 1 1 71 71 CYS H H 71 8.242 8.242 7.723 0.519 18487 7595 1 15 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.513 0.050 18487 7596 1 15 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.680 0.329 18487 7597 1 15 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.355 -0.944 18487 7598 1 15 . 1 1 73 73 GLY N N 73 106.975 106.975 106.720 0.255 18487 7599 1 15 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.342 0.936 18487 7600 1 15 . 1 1 73 73 GLY H H 73 8.657 8.657 8.366 0.291 18487 7601 1 15 . 1 1 74 74 VAL N N 74 119.448 119.448 119.570 -0.122 18487 7602 1 15 . 1 1 74 74 VAL HA H 74 3.980 3.980 4.060 -0.080 18487 7603 1 15 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.323 1.478 18487 7604 1 15 . 1 1 74 74 VAL CB C 74 31.500 31.500 32.336 -0.836 18487 7605 1 15 . 1 1 74 74 VAL H H 74 7.747 7.747 7.175 0.572 18487 7606 1 15 . 1 1 75 75 GLU N N 75 129.063 129.063 126.362 2.701 18487 7607 1 15 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.351 0.116 18487 7608 1 15 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.631 -0.601 18487 7609 1 15 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.223 0.389 18487 7610 1 15 . 1 1 75 75 GLU H H 75 8.994 8.994 8.637 0.357 18487 7611 1 15 . 1 1 76 76 SER N N 76 110.068 110.068 110.388 -0.320 18487 7612 1 15 . 1 1 76 76 SER HA H 76 5.283 5.283 5.624 -0.341 18487 7613 1 15 . 1 1 76 76 SER CA C 76 57.395 57.395 57.385 0.010 18487 7614 1 15 . 1 1 76 76 SER CB C 76 65.281 65.281 66.689 -1.408 18487 7615 1 15 . 1 1 76 76 SER H H 76 8.306 8.306 8.221 0.085 18487 7616 1 15 . 1 1 77 77 LEU N N 77 117.334 117.334 120.220 -2.886 18487 7617 1 15 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.930 0.471 18487 7618 1 15 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.143 -0.562 18487 7619 1 15 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.523 0.650 18487 7620 1 15 . 1 1 77 77 LEU H H 77 9.250 9.250 8.827 0.423 18487 7621 1 15 . 1 1 78 78 MET N N 78 121.119 121.119 124.698 -3.579 18487 7622 1 15 . 1 1 78 78 MET HA H 78 5.367 5.367 5.002 0.365 18487 7623 1 15 . 1 1 78 78 MET CA C 78 53.966 53.966 54.282 -0.316 18487 7624 1 15 . 1 1 78 78 MET CB C 78 36.374 36.374 34.651 1.723 18487 7625 1 15 . 1 1 78 78 MET H H 78 9.333 9.333 9.018 0.315 18487 7626 1 15 . 1 1 79 79 ILE N N 79 127.512 127.512 128.236 -0.724 18487 7627 1 15 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.307 -0.315 18487 7628 1 15 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.157 2.469 18487 7629 1 15 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.699 2.688 18487 7630 1 15 . 1 1 79 79 ILE H H 79 9.396 9.396 8.262 1.134 18487 7631 1 15 . 1 1 80 80 GLY N N 80 117.437 117.437 114.080 3.357 18487 7632 1 15 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.848 0.762 18487 7633 1 15 . 1 1 80 80 GLY H H 80 7.916 7.916 8.007 -0.091 18487 7634 1 15 . 1 1 81 81 ASP N N 81 118.860 118.860 118.670 0.190 18487 7635 1 15 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.300 0.373 18487 7636 1 15 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.739 -2.705 18487 7637 1 15 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.845 -1.171 18487 7638 1 15 . 1 1 81 81 ASP H H 81 7.983 7.983 8.297 -0.314 18487 7639 1 15 . 1 1 82 82 ASP N N 82 118.682 118.682 112.045 6.637 18487 7640 1 15 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.744 0.075 18487 7641 1 15 . 1 1 82 82 ASP CA C 82 52.138 52.138 53.300 -1.162 18487 7642 1 15 . 1 1 82 82 ASP CB C 82 40.994 40.994 40.212 0.782 18487 7643 1 15 . 1 1 82 82 ASP H H 82 9.164 9.164 8.752 0.412 18487 7644 1 15 . 1 1 83 83 PHE N N 83 110.898 110.898 114.380 -3.482 18487 7645 1 15 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.576 0.274 18487 7646 1 15 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.963 -0.998 18487 7647 1 15 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.377 0.368 18487 7648 1 15 . 1 1 83 83 PHE H H 83 6.887 6.887 6.909 -0.022 18487 7649 1 15 . 1 1 84 84 LEU N N 84 121.119 121.119 123.105 -1.986 18487 7650 1 15 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.288 -0.055 18487 7651 1 15 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.627 -0.661 18487 7652 1 15 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.486 1.922 18487 7653 1 15 . 1 1 84 84 LEU H H 84 9.118 9.118 9.194 -0.076 18487 7654 1 15 . 1 1 85 85 THR N N 85 125.430 125.430 125.760 -0.330 18487 7655 1 15 . 1 1 85 85 THR HA H 85 5.639 5.639 5.026 0.613 18487 7656 1 15 . 1 1 85 85 THR CA C 85 61.743 61.743 62.458 -0.715 18487 7657 1 15 . 1 1 85 85 THR CB C 85 69.835 69.835 69.249 0.586 18487 7658 1 15 . 1 1 85 85 THR H H 85 9.780 9.780 8.945 0.835 18487 7659 1 15 . 1 1 86 86 ILE N N 86 126.778 126.778 128.802 -2.024 18487 7660 1 15 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.322 0.389 18487 7661 1 15 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.941 -2.236 18487 7662 1 15 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.770 1.574 18487 7663 1 15 . 1 1 86 86 ILE H H 86 9.151 9.151 8.698 0.453 18487 7664 1 15 . 1 1 87 87 ASN N N 87 124.785 124.785 126.264 -1.479 18487 7665 1 15 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.597 0.429 18487 7666 1 15 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.643 -0.611 18487 7667 1 15 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.167 -1.488 18487 7668 1 15 . 1 1 87 87 ASN H H 87 8.680 8.680 8.983 -0.303 18487 7669 1 15 . 1 1 88 88 LYS N N 88 122.617 122.617 122.544 0.073 18487 7670 1 15 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.829 0.410 18487 7671 1 15 . 1 1 88 88 LYS CA C 88 53.514 53.514 54.169 -0.655 18487 7672 1 15 . 1 1 88 88 LYS CB C 88 36.255 36.255 36.119 0.136 18487 7673 1 15 . 1 1 88 88 LYS H H 88 9.361 9.361 8.736 0.625 18487 7674 1 15 . 1 1 89 89 ASP N N 89 121.211 121.211 119.900 1.311 18487 7675 1 15 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.666 -0.205 18487 7676 1 15 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.136 -0.241 18487 7677 1 15 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.336 0.408 18487 7678 1 15 . 1 1 89 89 ASP H H 89 8.454 8.454 7.992 0.462 18487 7679 1 15 . 1 1 90 90 ARG N N 90 124.551 124.551 124.711 -0.160 18487 7680 1 15 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.102 -0.028 18487 7681 1 15 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.671 -0.562 18487 7682 1 15 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.892 0.003 18487 7683 1 15 . 1 1 90 90 ARG H H 90 8.475 8.475 8.442 0.033 18487 7684 1 15 . 1 1 91 91 MET N N 91 115.821 115.821 115.336 0.485 18487 7685 1 15 . 1 1 91 91 MET HA H 91 4.424 4.424 4.473 -0.049 18487 7686 1 15 . 1 1 91 91 MET CA C 91 55.206 55.206 54.392 0.814 18487 7687 1 15 . 1 1 91 91 MET CB C 91 31.307 31.307 32.617 -1.310 18487 7688 1 15 . 1 1 91 91 MET H H 91 8.725 8.725 8.063 0.662 18487 7689 1 15 . 1 1 92 92 VAL N N 92 119.922 119.922 119.642 0.280 18487 7690 1 15 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.820 0.286 18487 7691 1 15 . 1 1 92 92 VAL CA C 92 61.058 61.058 62.204 -1.146 18487 7692 1 15 . 1 1 92 92 VAL CB C 92 33.144 33.144 31.855 1.289 18487 7693 1 15 . 1 1 92 92 VAL H H 92 7.348 7.348 7.354 -0.005 18487 7694 1 15 . 1 1 93 93 HIS N N 93 125.619 125.619 124.102 1.517 18487 7695 1 15 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.716 -0.120 18487 7696 1 15 . 1 1 93 93 HIS CA C 93 55.394 55.394 54.255 1.139 18487 7697 1 15 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.316 -0.657 18487 7698 1 15 . 1 1 93 93 HIS H H 93 8.851 8.851 8.104 0.747 18487 7699 1 15 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.584 0.416 18487 7700 1 15 . 1 1 94 94 TRP CA C 94 60.000 60.000 59.380 0.620 18487 7701 1 15 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.444 0.556 18487 7702 1 15 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.481 0.216 18487 7703 1 15 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.607 0.420 18487 7704 1 15 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.336 -1.185 18487 7705 1 15 . 1 1 96 96 SER N N 96 113.047 113.047 114.914 -1.867 18487 7706 1 15 . 1 1 96 96 SER HA H 96 4.628 4.628 4.390 0.238 18487 7707 1 15 . 1 1 96 96 SER CA C 96 60.183 60.183 61.330 -1.147 18487 7708 1 15 . 1 1 96 96 SER CB C 96 63.901 63.901 63.899 0.002 18487 7709 1 15 . 1 1 96 96 SER H H 96 8.064 8.064 7.701 0.363 18487 7710 1 15 . 1 1 97 97 ILE N N 97 116.621 116.621 120.257 -3.636 18487 7711 1 15 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.095 0.547 18487 7712 1 15 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.121 -0.343 18487 7713 1 15 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.557 3.870 18487 7714 1 15 . 1 1 97 97 ILE H H 97 7.705 7.705 7.632 0.073 18487 7715 1 15 . 1 1 98 98 LYS N N 98 120.198 120.198 121.791 -1.593 18487 7716 1 15 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.341 -0.084 18487 7717 1 15 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.130 0.583 18487 7718 1 15 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.002 -0.029 18487 7719 1 15 . 1 1 98 98 LYS H H 98 9.132 9.132 8.540 0.592 18487 7720 1 15 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.336 -0.052 18487 7721 1 15 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.991 0.343 18487 7722 1 15 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.994 -0.593 18487 7723 1 15 . 1 1 100 100 GLU N N 100 117.097 117.097 118.574 -1.477 18487 7724 1 15 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.156 -0.004 18487 7725 1 15 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.511 0.308 18487 7726 1 15 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.819 0.597 18487 7727 1 15 . 1 1 100 100 GLU H H 100 7.447 7.447 7.887 -0.440 18487 7728 1 15 . 1 1 101 101 ILE N N 101 118.326 118.326 121.170 -2.844 18487 7729 1 15 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.487 -0.123 18487 7730 1 15 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.501 -2.140 18487 7731 1 15 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.524 -1.675 18487 7732 1 15 . 1 1 101 101 ILE H H 101 7.896 7.896 7.739 0.157 18487 7733 1 15 . 1 1 102 102 ILE N N 102 118.368 118.368 119.573 -1.205 18487 7734 1 15 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.393 0.015 18487 7735 1 15 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.711 0.535 18487 7736 1 15 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.393 -0.153 18487 7737 1 15 . 1 1 102 102 ILE H H 102 8.243 8.243 8.201 0.042 18487 7738 1 15 . 1 1 103 103 ASP N N 103 122.381 122.381 120.415 1.966 18487 7739 1 15 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.303 0.075 18487 7740 1 15 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.780 0.202 18487 7741 1 15 . 1 1 103 103 ASP CB C 103 41.534 41.534 41.052 0.482 18487 7742 1 15 . 1 1 103 103 ASP H H 103 7.900 7.900 7.714 0.186 18487 7743 1 15 . 1 1 104 104 LEU N N 104 119.007 119.007 120.028 -1.021 18487 7744 1 15 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.932 0.066 18487 7745 1 15 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.832 -0.093 18487 7746 1 15 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.840 0.302 18487 7747 1 15 . 1 1 104 104 LEU H H 104 8.261 8.261 7.892 0.369 18487 7748 1 15 . 1 1 105 105 LEU N N 105 120.443 120.443 118.949 1.494 18487 7749 1 15 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.002 -0.015 18487 7750 1 15 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.085 -0.584 18487 7751 1 15 . 1 1 105 105 LEU CB C 105 42.087 42.087 40.916 1.171 18487 7752 1 15 . 1 1 105 105 LEU H H 105 9.022 9.022 8.414 0.608 18487 7753 1 15 . 1 1 106 106 THR N N 106 114.821 114.821 115.751 -0.930 18487 7754 1 15 . 1 1 106 106 THR HA H 106 3.698 3.698 3.949 -0.251 18487 7755 1 15 . 1 1 106 106 THR CA C 106 67.610 67.610 66.520 1.090 18487 7756 1 15 . 1 1 106 106 THR CB C 106 68.325 68.325 68.329 -0.004 18487 7757 1 15 . 1 1 106 106 THR H H 106 8.273 8.273 7.790 0.483 18487 7758 1 15 . 1 1 107 107 LYS N N 107 120.049 120.049 121.350 -1.301 18487 7759 1 15 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.820 0.087 18487 7760 1 15 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.417 1.038 18487 7761 1 15 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.395 0.967 18487 7762 1 15 . 1 1 107 107 LYS H H 107 7.691 7.691 7.462 0.229 18487 7763 1 15 . 1 1 108 108 GLN N N 108 118.375 118.375 119.412 -1.037 18487 7764 1 15 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.037 -0.019 18487 7765 1 15 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.407 -0.424 18487 7766 1 15 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.087 -0.432 18487 7767 1 15 . 1 1 108 108 GLN H H 108 7.888 7.888 7.793 0.095 18487 7768 1 15 . 1 1 109 109 LEU N N 109 118.066 118.066 117.295 0.771 18487 7769 1 15 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.287 -0.105 18487 7770 1 15 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.386 0.081 18487 7771 1 15 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.685 0.125 18487 7772 1 15 . 1 1 109 109 LEU H H 109 8.269 8.269 7.737 0.532 18487 7773 1 15 . 1 1 110 110 ALA N N 110 120.909 120.909 121.327 -0.418 18487 7774 1 15 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.057 -0.025 18487 7775 1 15 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.295 -0.055 18487 7776 1 15 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.165 0.503 18487 7777 1 15 . 1 1 110 110 ALA H H 110 8.171 8.171 7.412 0.759 18487 7778 1 15 . 1 1 111 111 TYR N N 111 114.611 114.611 115.687 -1.076 18487 7779 1 15 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.300 0.342 18487 7780 1 15 . 1 1 111 111 TYR CA C 111 57.927 57.927 57.100 0.827 18487 7781 1 15 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.126 0.346 18487 7782 1 15 . 1 1 111 111 TYR H H 111 7.763 7.763 7.554 0.209 18487 7783 1 15 . 1 1 112 112 GLY N N 112 107.916 107.916 106.526 1.390 18487 7784 1 15 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.146 1.062 18487 7785 1 15 . 1 1 112 112 GLY H H 112 7.941 7.941 7.547 0.394 18487 7786 1 15 . 1 1 113 113 GLU N N 113 119.571 119.571 118.809 0.762 18487 7787 1 15 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.593 -0.203 18487 7788 1 15 . 1 1 113 113 GLU CA C 113 56.025 56.025 54.156 1.869 18487 7789 1 15 . 1 1 113 113 GLU CB C 113 30.403 30.403 34.307 -3.904 18487 7790 1 15 . 1 1 113 113 GLU H H 113 8.166 8.166 7.748 0.418 18487 7791 1 15 . 1 1 114 114 ASP N N 114 121.457 121.457 120.676 0.781 18487 7792 1 15 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.726 -0.101 18487 7793 1 15 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.380 0.695 18487 7794 1 15 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.234 -0.237 18487 7795 1 15 . 1 1 114 114 ASP H H 114 8.560 8.560 8.647 -0.087 18487 7796 1 15 . 1 1 115 115 VAL N N 115 120.645 120.645 119.965 0.680 18487 7797 1 15 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.214 -0.135 18487 7798 1 15 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.014 -0.496 18487 7799 1 15 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.972 -1.139 18487 7800 1 15 . 1 1 115 115 VAL H H 115 8.659 8.659 8.440 0.219 18487 7801 1 15 . 1 1 116 116 ILE N N 116 120.775 120.775 116.157 4.618 18487 7802 1 15 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.798 -0.135 18487 7803 1 15 . 1 1 116 116 ILE CA C 116 59.736 59.736 58.455 1.281 18487 7804 1 15 . 1 1 116 116 ILE CB C 116 39.798 39.798 39.044 0.754 18487 7805 1 15 . 1 1 116 116 ILE H H 116 7.881 7.881 7.300 0.581 18487 7806 1 15 . 1 1 117 117 SER N N 117 121.192 121.192 118.344 2.848 18487 7807 1 15 . 1 1 117 117 SER HA H 117 4.641 4.641 4.671 -0.030 18487 7808 1 15 . 1 1 117 117 SER CA C 117 57.846 57.846 56.916 0.930 18487 7809 1 15 . 1 1 117 117 SER CB C 117 63.962 63.962 64.366 -0.404 18487 7810 1 15 . 1 1 117 117 SER H H 117 8.767 8.767 8.699 0.068 18487 7811 1 15 . 1 1 118 118 LYS N N 118 124.317 124.317 119.050 5.267 18487 7812 1 15 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.266 0.090 18487 7813 1 15 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.796 -0.259 18487 7814 1 15 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.236 0.814 18487 7815 1 15 . 1 1 118 118 LYS H H 118 8.633 8.633 8.316 0.317 18487 7816 1 16 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.582 0.098 18487 7817 1 16 . 1 1 11 11 MET N N 11 120.918 120.918 127.922 -7.004 18487 7818 1 16 . 1 1 11 11 MET HA H 11 4.435 4.435 4.529 -0.094 18487 7819 1 16 . 1 1 11 11 MET CA C 11 55.736 55.736 55.501 0.235 18487 7820 1 16 . 1 1 11 11 MET CB C 11 32.501 32.501 31.595 0.906 18487 7821 1 16 . 1 1 11 11 MET H H 11 8.289 8.289 8.411 -0.122 18487 7822 1 16 . 1 1 12 12 ASN N N 12 120.356 120.356 125.708 -5.352 18487 7823 1 16 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.856 -0.098 18487 7824 1 16 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.714 0.774 18487 7825 1 16 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.580 -1.004 18487 7826 1 16 . 1 1 12 12 ASN H H 12 8.583 8.583 8.321 0.262 18487 7827 1 16 . 1 1 13 13 SER N N 13 116.582 116.582 116.766 -0.184 18487 7828 1 16 . 1 1 13 13 SER HA H 13 4.378 4.378 4.636 -0.258 18487 7829 1 16 . 1 1 13 13 SER CA C 13 58.842 58.842 58.291 0.550 18487 7830 1 16 . 1 1 13 13 SER CB C 13 63.403 63.403 63.533 -0.130 18487 7831 1 16 . 1 1 13 13 SER H H 13 8.319 8.319 8.379 -0.059 18487 7832 1 16 . 1 1 14 14 GLN N N 14 121.369 121.369 125.328 -3.959 18487 7833 1 16 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.547 -0.229 18487 7834 1 16 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.030 1.069 18487 7835 1 16 . 1 1 14 14 GLN CB C 14 28.944 28.944 30.076 -1.132 18487 7836 1 16 . 1 1 14 14 GLN H H 14 8.365 8.365 8.412 -0.047 18487 7837 1 16 . 1 1 15 15 ARG N N 15 121.565 121.565 123.166 -1.601 18487 7838 1 16 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.481 -0.167 18487 7839 1 16 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.734 0.154 18487 7840 1 16 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.365 0.062 18487 7841 1 16 . 1 1 15 15 ARG H H 15 8.084 8.084 8.623 -0.539 18487 7842 1 16 . 1 1 16 16 LEU N N 16 123.810 123.810 128.393 -4.583 18487 7843 1 16 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.243 0.100 18487 7844 1 16 . 1 1 16 16 LEU CA C 16 54.640 54.640 54.124 0.515 18487 7845 1 16 . 1 1 16 16 LEU CB C 16 42.062 42.062 41.454 0.608 18487 7846 1 16 . 1 1 16 16 LEU H H 16 8.254 8.254 8.558 -0.304 18487 7847 1 16 . 1 1 17 17 ILE N N 17 122.996 122.996 124.706 -1.710 18487 7848 1 16 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.791 0.363 18487 7849 1 16 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.584 -1.371 18487 7850 1 16 . 1 1 17 17 ILE CB C 17 38.784 38.784 37.366 1.418 18487 7851 1 16 . 1 1 17 17 ILE H H 17 8.006 8.006 7.618 0.388 18487 7852 1 16 . 1 1 18 18 HIS N N 18 126.123 126.123 126.559 -0.436 18487 7853 1 16 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.561 0.284 18487 7854 1 16 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.573 -1.368 18487 7855 1 16 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.277 -0.080 18487 7856 1 16 . 1 1 18 18 HIS H H 18 9.025 9.025 8.271 0.754 18487 7857 1 16 . 1 1 19 19 ILE N N 19 124.783 124.783 122.508 2.275 18487 7858 1 16 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.410 0.580 18487 7859 1 16 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.969 -1.461 18487 7860 1 16 . 1 1 19 19 ILE CB C 19 38.350 38.350 40.282 -1.932 18487 7861 1 16 . 1 1 19 19 ILE H H 19 8.485 8.485 8.243 0.242 18487 7862 1 16 . 1 1 20 20 LYS N N 20 128.184 128.184 126.657 1.527 18487 7863 1 16 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.535 0.224 18487 7864 1 16 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.477 -1.348 18487 7865 1 16 . 1 1 20 20 LYS CB C 20 35.641 35.641 33.387 2.254 18487 7866 1 16 . 1 1 20 20 LYS H H 20 9.253 9.253 8.698 0.555 18487 7867 1 16 . 1 1 21 21 THR N N 21 114.649 114.649 123.101 -8.452 18487 7868 1 16 . 1 1 21 21 THR HA H 21 4.930 4.930 4.675 0.255 18487 7869 1 16 . 1 1 21 21 THR CA C 21 60.191 60.191 61.968 -1.777 18487 7870 1 16 . 1 1 21 21 THR CB C 21 69.966 69.966 69.235 0.731 18487 7871 1 16 . 1 1 21 21 THR H H 21 8.232 8.232 8.476 -0.244 18487 7872 1 16 . 1 1 22 22 LEU N N 22 125.973 125.973 128.633 -2.660 18487 7873 1 16 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.685 -0.006 18487 7874 1 16 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.063 0.690 18487 7875 1 16 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.781 -0.647 18487 7876 1 16 . 1 1 22 22 LEU H H 22 9.156 9.156 8.530 0.626 18487 7877 1 16 . 1 1 23 23 THR N N 23 112.582 112.582 113.532 -0.950 18487 7878 1 16 . 1 1 23 23 THR HA H 23 4.281 4.281 4.244 0.037 18487 7879 1 16 . 1 1 23 23 THR CA C 23 61.474 61.474 62.074 -0.600 18487 7880 1 16 . 1 1 23 23 THR CB C 23 69.759 69.759 69.253 0.506 18487 7881 1 16 . 1 1 23 23 THR H H 23 7.912 7.912 8.338 -0.426 18487 7882 1 16 . 1 1 24 24 THR N N 24 112.952 112.952 116.143 -3.191 18487 7883 1 16 . 1 1 24 24 THR HA H 24 5.040 5.040 4.703 0.337 18487 7884 1 16 . 1 1 24 24 THR CA C 24 60.000 60.000 58.533 1.467 18487 7885 1 16 . 1 1 24 24 THR CB C 24 69.872 69.872 69.697 0.175 18487 7886 1 16 . 1 1 24 24 THR H H 24 8.793 8.793 8.384 0.409 18487 7887 1 16 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.503 -0.058 18487 7888 1 16 . 1 1 25 25 PRO CA C 25 64.322 64.322 62.867 1.455 18487 7889 1 16 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.258 0.322 18487 7890 1 16 . 1 1 26 26 ASN N N 26 115.534 115.534 118.592 -3.058 18487 7891 1 16 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.844 0.091 18487 7892 1 16 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.399 -1.362 18487 7893 1 16 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.907 -1.185 18487 7894 1 16 . 1 1 26 26 ASN H H 26 7.774 7.774 7.618 0.156 18487 7895 1 16 . 1 1 27 27 GLU N N 27 127.099 127.099 125.615 1.484 18487 7896 1 16 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.279 0.131 18487 7897 1 16 . 1 1 27 27 GLU CA C 27 58.958 58.958 57.563 1.395 18487 7898 1 16 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.482 -1.377 18487 7899 1 16 . 1 1 27 27 GLU H H 27 9.428 9.428 8.647 0.781 18487 7900 1 16 . 1 1 28 28 ASN N N 28 115.176 115.176 112.766 2.410 18487 7901 1 16 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.483 0.503 18487 7902 1 16 . 1 1 28 28 ASN CA C 28 53.784 53.784 54.878 -1.094 18487 7903 1 16 . 1 1 28 28 ASN CB C 28 38.545 38.545 37.221 1.323 18487 7904 1 16 . 1 1 28 28 ASN H H 28 8.591 8.591 8.830 -0.239 18487 7905 1 16 . 1 1 29 29 ALA N N 29 123.317 123.317 120.509 2.808 18487 7906 1 16 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.836 0.540 18487 7907 1 16 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.517 0.793 18487 7908 1 16 . 1 1 29 29 ALA CB C 29 22.158 22.158 22.342 -0.184 18487 7909 1 16 . 1 1 29 29 ALA H H 29 8.210 8.210 7.429 0.781 18487 7910 1 16 . 1 1 30 30 LEU N N 30 124.426 124.426 122.261 2.165 18487 7911 1 16 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.323 0.185 18487 7912 1 16 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.923 -1.263 18487 7913 1 16 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.268 0.283 18487 7914 1 16 . 1 1 30 30 LEU H H 30 8.550 8.550 8.220 0.330 18487 7915 1 16 . 1 1 31 31 LYS N N 31 123.555 123.555 125.443 -1.888 18487 7916 1 16 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.661 0.478 18487 7917 1 16 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.900 -0.817 18487 7918 1 16 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.664 1.507 18487 7919 1 16 . 1 1 31 31 LYS H H 31 8.169 8.169 8.189 -0.020 18487 7920 1 16 . 1 1 32 32 PHE N N 32 124.529 124.529 125.126 -0.597 18487 7921 1 16 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.961 0.014 18487 7922 1 16 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.800 -0.326 18487 7923 1 16 . 1 1 32 32 PHE CB C 32 40.077 40.077 41.236 -1.159 18487 7924 1 16 . 1 1 32 32 PHE H H 32 9.634 9.634 9.043 0.591 18487 7925 1 16 . 1 1 33 33 LEU N N 33 122.712 122.712 125.340 -2.628 18487 7926 1 16 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.941 0.123 18487 7927 1 16 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.484 0.903 18487 7928 1 16 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.778 0.048 18487 7929 1 16 . 1 1 33 33 LEU H H 33 9.174 9.174 8.973 0.201 18487 7930 1 16 . 1 1 34 34 SER N N 34 117.120 117.120 122.825 -5.705 18487 7931 1 16 . 1 1 34 34 SER HA H 34 5.116 5.116 4.883 0.233 18487 7932 1 16 . 1 1 34 34 SER CA C 34 56.626 56.626 58.704 -2.078 18487 7933 1 16 . 1 1 34 34 SER CB C 34 64.053 64.053 63.220 0.833 18487 7934 1 16 . 1 1 34 34 SER H H 34 8.979 8.979 8.181 0.798 18487 7935 1 16 . 1 1 35 35 THR N N 35 117.097 117.097 115.378 1.719 18487 7936 1 16 . 1 1 35 35 THR HA H 35 4.460 4.460 4.471 -0.011 18487 7937 1 16 . 1 1 35 35 THR CA C 35 62.944 62.944 62.031 0.913 18487 7938 1 16 . 1 1 35 35 THR CB C 35 69.779 69.779 69.626 0.153 18487 7939 1 16 . 1 1 35 35 THR H H 35 8.646 8.646 8.415 0.231 18487 7940 1 16 . 1 1 36 36 ASP N N 36 120.039 120.039 122.385 -2.346 18487 7941 1 16 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.447 0.408 18487 7942 1 16 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.165 -0.424 18487 7943 1 16 . 1 1 36 36 ASP CB C 36 41.519 41.519 40.843 0.677 18487 7944 1 16 . 1 1 36 36 ASP H H 36 8.711 8.711 8.478 0.233 18487 7945 1 16 . 1 1 37 37 GLY N N 37 107.015 107.015 106.706 0.309 18487 7946 1 16 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.757 0.872 18487 7947 1 16 . 1 1 37 37 GLY H H 37 8.020 8.020 8.000 0.020 18487 7948 1 16 . 1 1 38 38 GLU N N 38 120.021 120.021 124.826 -4.805 18487 7949 1 16 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.282 -0.004 18487 7950 1 16 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.082 1.061 18487 7951 1 16 . 1 1 38 38 GLU CB C 38 29.317 29.317 28.953 0.363 18487 7952 1 16 . 1 1 38 38 GLU H H 38 8.101 8.101 8.366 -0.265 18487 7953 1 16 . 1 1 39 39 MET N N 39 121.372 121.372 123.415 -2.043 18487 7954 1 16 . 1 1 39 39 MET HA H 39 4.799 4.799 4.512 0.287 18487 7955 1 16 . 1 1 39 39 MET CA C 39 54.229 54.229 54.450 -0.221 18487 7956 1 16 . 1 1 39 39 MET CB C 39 33.392 33.392 33.445 -0.053 18487 7957 1 16 . 1 1 39 39 MET H H 39 8.571 8.571 8.457 0.114 18487 7958 1 16 . 1 1 40 40 LEU N N 40 121.913 121.913 126.368 -4.455 18487 7959 1 16 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.213 0.046 18487 7960 1 16 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.638 0.506 18487 7961 1 16 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.181 0.245 18487 7962 1 16 . 1 1 40 40 LEU H H 40 8.572 8.572 8.534 0.038 18487 7963 1 16 . 1 1 41 41 GLN N N 41 114.647 114.647 114.797 -0.150 18487 7964 1 16 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.537 0.131 18487 7965 1 16 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.442 -0.045 18487 7966 1 16 . 1 1 41 41 GLN CB C 41 35.290 35.290 33.100 2.190 18487 7967 1 16 . 1 1 41 41 GLN H H 41 8.420 8.420 7.481 0.939 18487 7968 1 16 . 1 1 42 42 THR N N 42 111.706 111.706 117.316 -5.610 18487 7969 1 16 . 1 1 42 42 THR HA H 42 4.038 4.038 4.218 -0.180 18487 7970 1 16 . 1 1 42 42 THR CA C 42 63.082 63.082 64.131 -1.049 18487 7971 1 16 . 1 1 42 42 THR CB C 42 69.264 69.264 69.321 -0.057 18487 7972 1 16 . 1 1 42 42 THR H H 42 8.205 8.205 8.610 -0.405 18487 7973 1 16 . 1 1 43 43 ARG N N 43 126.367 126.367 126.054 0.313 18487 7974 1 16 . 1 1 43 43 ARG HA H 43 4.149 4.149 3.966 0.183 18487 7975 1 16 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.518 -0.085 18487 7976 1 16 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.834 -0.906 18487 7977 1 16 . 1 1 43 43 ARG H H 43 8.885 8.885 8.499 0.386 18487 7978 1 16 . 1 1 44 44 GLY N N 44 116.299 116.299 114.393 1.906 18487 7979 1 16 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.478 0.398 18487 7980 1 16 . 1 1 44 44 GLY H H 44 9.999 9.999 8.915 1.084 18487 7981 1 16 . 1 1 45 45 SER N N 45 117.374 117.374 116.234 1.140 18487 7982 1 16 . 1 1 45 45 SER HA H 45 4.316 4.316 4.526 -0.210 18487 7983 1 16 . 1 1 45 45 SER CA C 45 59.967 59.967 58.156 1.811 18487 7984 1 16 . 1 1 45 45 SER CB C 45 63.866 63.866 64.045 -0.179 18487 7985 1 16 . 1 1 45 45 SER H H 45 8.034 8.034 7.926 0.108 18487 7986 1 16 . 1 1 46 46 LYS N N 46 124.024 124.024 122.687 1.337 18487 7987 1 16 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.436 -0.179 18487 7988 1 16 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.390 0.912 18487 7989 1 16 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.270 -0.593 18487 7990 1 16 . 1 1 46 46 LYS H H 46 8.560 8.560 8.299 0.261 18487 7991 1 16 . 1 1 47 47 SER N N 47 119.851 119.851 116.012 3.839 18487 7992 1 16 . 1 1 47 47 SER HA H 47 4.824 4.824 4.713 0.111 18487 7993 1 16 . 1 1 47 47 SER CA C 47 57.920 57.920 57.725 0.195 18487 7994 1 16 . 1 1 47 47 SER CB C 47 63.770 63.770 62.314 1.456 18487 7995 1 16 . 1 1 47 47 SER H H 47 8.663 8.663 8.417 0.246 18487 7996 1 16 . 1 1 48 48 ILE N N 48 124.054 124.054 126.270 -2.216 18487 7997 1 16 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.045 0.312 18487 7998 1 16 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.588 -1.476 18487 7999 1 16 . 1 1 48 48 ILE CB C 48 41.097 41.097 38.167 2.930 18487 8000 1 16 . 1 1 48 48 ILE H H 48 8.619 8.619 8.037 0.582 18487 8001 1 16 . 1 1 49 49 VAL N N 49 128.260 128.260 128.360 -0.100 18487 8002 1 16 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.608 0.124 18487 8003 1 16 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.819 0.193 18487 8004 1 16 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.695 0.916 18487 8005 1 16 . 1 1 49 49 VAL H H 49 8.498 8.498 8.597 -0.099 18487 8006 1 16 . 1 1 50 50 ILE N N 50 127.715 127.715 129.956 -2.241 18487 8007 1 16 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.366 0.137 18487 8008 1 16 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.429 1.061 18487 8009 1 16 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.990 1.473 18487 8010 1 16 . 1 1 50 50 ILE H H 50 9.236 9.236 9.129 0.107 18487 8011 1 16 . 1 1 51 51 LYS N N 51 127.422 127.422 126.915 0.507 18487 8012 1 16 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.850 -0.190 18487 8013 1 16 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.868 -0.318 18487 8014 1 16 . 1 1 51 51 LYS CB C 51 33.943 33.943 34.094 -0.151 18487 8015 1 16 . 1 1 51 51 LYS H H 51 9.673 9.673 7.877 1.796 18487 8016 1 16 . 1 1 52 52 ASN N N 52 117.981 117.981 119.304 -1.323 18487 8017 1 16 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.888 -1.140 18487 8018 1 16 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.811 -0.644 18487 8019 1 16 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.872 -1.489 18487 8020 1 16 . 1 1 52 52 ASN H H 52 8.119 8.119 9.008 -0.889 18487 8021 1 16 . 1 1 53 53 THR N N 53 105.425 105.425 112.909 -7.484 18487 8022 1 16 . 1 1 53 53 THR HA H 53 4.218 4.218 4.242 -0.024 18487 8023 1 16 . 1 1 53 53 THR CA C 53 60.619 60.619 63.527 -2.908 18487 8024 1 16 . 1 1 53 53 THR CB C 53 69.221 69.221 69.055 0.166 18487 8025 1 16 . 1 1 53 53 THR H H 53 6.908 6.908 8.083 -1.175 18487 8026 1 16 . 1 1 54 54 ASP N N 54 125.547 125.547 124.219 1.328 18487 8027 1 16 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.754 0.212 18487 8028 1 16 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.339 -0.826 18487 8029 1 16 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.478 0.478 18487 8030 1 16 . 1 1 54 54 ASP H H 54 7.811 7.811 7.696 0.115 18487 8031 1 16 . 1 1 55 55 GLU N N 55 123.946 123.946 121.861 2.085 18487 8032 1 16 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.811 0.012 18487 8033 1 16 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.394 0.730 18487 8034 1 16 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.737 0.195 18487 8035 1 16 . 1 1 55 55 GLU H H 55 7.919 7.919 7.812 0.107 18487 8036 1 16 . 1 1 56 56 ASN N N 56 115.295 115.295 118.112 -2.817 18487 8037 1 16 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.454 0.100 18487 8038 1 16 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.786 0.322 18487 8039 1 16 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.197 0.070 18487 8040 1 16 . 1 1 56 56 ASN H H 56 8.728 8.728 8.485 0.243 18487 8041 1 16 . 1 1 57 57 LEU N N 57 120.223 120.223 119.260 0.963 18487 8042 1 16 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.365 -0.130 18487 8043 1 16 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.144 0.445 18487 8044 1 16 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.070 0.842 18487 8045 1 16 . 1 1 57 57 LEU H H 57 7.621 7.621 7.524 0.097 18487 8046 1 16 . 1 1 58 58 ILE N N 58 120.489 120.489 119.572 0.917 18487 8047 1 16 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.698 -0.162 18487 8048 1 16 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.994 1.345 18487 8049 1 16 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.667 0.726 18487 8050 1 16 . 1 1 58 58 ILE H H 58 8.461 8.461 7.952 0.509 18487 8051 1 16 . 1 1 59 59 ASN N N 59 114.873 114.873 114.980 -0.107 18487 8052 1 16 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.499 -0.021 18487 8053 1 16 . 1 1 59 59 ASN CA C 59 54.955 54.955 54.498 0.457 18487 8054 1 16 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.074 -0.039 18487 8055 1 16 . 1 1 59 59 ASN H H 59 7.958 7.958 7.900 0.058 18487 8056 1 16 . 1 1 60 60 HIS N N 60 115.059 115.059 115.722 -0.663 18487 8057 1 16 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.527 0.241 18487 8058 1 16 . 1 1 60 60 HIS CA C 60 56.337 56.337 58.107 -1.770 18487 8059 1 16 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.786 -0.970 18487 8060 1 16 . 1 1 60 60 HIS H H 60 7.633 7.633 7.306 0.327 18487 8061 1 16 . 1 1 61 61 SER N N 61 115.447 115.447 113.935 1.512 18487 8062 1 16 . 1 1 61 61 SER HA H 61 5.135 5.135 4.945 0.190 18487 8063 1 16 . 1 1 61 61 SER CA C 61 56.072 56.072 55.853 0.219 18487 8064 1 16 . 1 1 61 61 SER CB C 61 63.806 63.806 63.837 -0.031 18487 8065 1 16 . 1 1 61 61 SER H H 61 7.849 7.849 7.575 0.274 18487 8066 1 16 . 1 1 62 62 LYS N N 62 132.090 132.090 130.486 1.604 18487 8067 1 16 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.250 -0.206 18487 8068 1 16 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.390 0.155 18487 8069 1 16 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.252 -0.713 18487 8070 1 16 . 1 1 62 62 LYS H H 62 9.021 9.021 8.925 0.096 18487 8071 1 16 . 1 1 63 63 LEU N N 63 118.793 118.793 118.933 -0.140 18487 8072 1 16 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.056 0.070 18487 8073 1 16 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.858 -0.208 18487 8074 1 16 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.698 0.081 18487 8075 1 16 . 1 1 63 63 LEU H H 63 8.567 8.567 8.143 0.424 18487 8076 1 16 . 1 1 64 64 ALA N N 64 118.752 118.752 120.823 -2.071 18487 8077 1 16 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.898 -0.278 18487 8078 1 16 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.285 -0.228 18487 8079 1 16 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.304 0.281 18487 8080 1 16 . 1 1 64 64 ALA H H 64 7.645 7.645 7.574 0.071 18487 8081 1 16 . 1 1 65 65 GLN N N 65 115.176 115.176 117.962 -2.786 18487 8082 1 16 . 1 1 65 65 GLN HA H 65 3.946 3.946 4.000 -0.054 18487 8083 1 16 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.225 0.032 18487 8084 1 16 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.521 0.079 18487 8085 1 16 . 1 1 65 65 GLN H H 65 8.539 8.539 7.963 0.576 18487 8086 1 16 . 1 1 66 66 GLN N N 66 115.801 115.801 118.588 -2.787 18487 8087 1 16 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.091 -0.025 18487 8088 1 16 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.522 0.038 18487 8089 1 16 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.402 1.095 18487 8090 1 16 . 1 1 66 66 GLN H H 66 8.125 8.125 7.782 0.343 18487 8091 1 16 . 1 1 67 67 ILE N N 67 119.874 119.874 120.328 -0.454 18487 8092 1 16 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.538 -0.201 18487 8093 1 16 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.430 0.613 18487 8094 1 16 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.714 -0.796 18487 8095 1 16 . 1 1 67 67 ILE H H 67 8.281 8.281 8.009 0.272 18487 8096 1 16 . 1 1 68 68 PHE N N 68 114.873 114.873 117.397 -2.524 18487 8097 1 16 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.465 0.030 18487 8098 1 16 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.467 -0.776 18487 8099 1 16 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.686 -1.038 18487 8100 1 16 . 1 1 68 68 PHE H H 68 8.255 8.255 8.013 0.242 18487 8101 1 16 . 1 1 69 69 LEU N N 69 117.763 117.763 119.515 -1.752 18487 8102 1 16 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.077 0.218 18487 8103 1 16 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.515 -0.179 18487 8104 1 16 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.039 1.089 18487 8105 1 16 . 1 1 69 69 LEU H H 69 7.747 7.747 7.906 -0.159 18487 8106 1 16 . 1 1 70 70 GLN N N 70 115.040 115.040 117.022 -1.982 18487 8107 1 16 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.151 0.161 18487 8108 1 16 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.789 -0.559 18487 8109 1 16 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.942 0.080 18487 8110 1 16 . 1 1 70 70 GLN H H 70 8.308 8.308 8.142 0.166 18487 8111 1 16 . 1 1 71 71 CYS N N 71 115.881 115.881 117.906 -2.025 18487 8112 1 16 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.837 0.121 18487 8113 1 16 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.910 -0.509 18487 8114 1 16 . 1 1 71 71 CYS CB C 71 28.735 28.735 30.203 -1.468 18487 8115 1 16 . 1 1 71 71 CYS H H 71 8.242 8.242 7.725 0.517 18487 8116 1 16 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.654 -0.091 18487 8117 1 16 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.386 0.623 18487 8118 1 16 . 1 1 72 72 PRO CB C 72 31.411 31.411 31.419 -0.008 18487 8119 1 16 . 1 1 73 73 GLY N N 73 106.975 106.975 107.741 -0.766 18487 8120 1 16 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.743 0.535 18487 8121 1 16 . 1 1 73 73 GLY H H 73 8.657 8.657 7.520 1.137 18487 8122 1 16 . 1 1 74 74 VAL N N 74 119.448 119.448 122.848 -3.400 18487 8123 1 16 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.851 0.129 18487 8124 1 16 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.919 0.882 18487 8125 1 16 . 1 1 74 74 VAL CB C 74 31.500 31.500 30.502 0.998 18487 8126 1 16 . 1 1 74 74 VAL H H 74 7.747 7.747 7.244 0.503 18487 8127 1 16 . 1 1 75 75 GLU N N 75 129.063 129.063 126.475 2.588 18487 8128 1 16 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.269 0.198 18487 8129 1 16 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.858 0.172 18487 8130 1 16 . 1 1 75 75 GLU CB C 75 31.612 31.612 30.884 0.728 18487 8131 1 16 . 1 1 75 75 GLU H H 75 8.994 8.994 8.440 0.554 18487 8132 1 16 . 1 1 76 76 SER N N 76 110.068 110.068 113.511 -3.443 18487 8133 1 16 . 1 1 76 76 SER HA H 76 5.283 5.283 5.347 -0.064 18487 8134 1 16 . 1 1 76 76 SER CA C 76 57.395 57.395 57.904 -0.509 18487 8135 1 16 . 1 1 76 76 SER CB C 76 65.281 65.281 66.102 -0.821 18487 8136 1 16 . 1 1 76 76 SER H H 76 8.306 8.306 8.064 0.242 18487 8137 1 16 . 1 1 77 77 LEU N N 77 117.334 117.334 122.449 -5.115 18487 8138 1 16 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.945 0.456 18487 8139 1 16 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.125 -0.544 18487 8140 1 16 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.973 0.200 18487 8141 1 16 . 1 1 77 77 LEU H H 77 9.250 9.250 9.011 0.239 18487 8142 1 16 . 1 1 78 78 MET N N 78 121.119 121.119 124.642 -3.523 18487 8143 1 16 . 1 1 78 78 MET HA H 78 5.367 5.367 4.816 0.551 18487 8144 1 16 . 1 1 78 78 MET CA C 78 53.966 53.966 54.622 -0.656 18487 8145 1 16 . 1 1 78 78 MET CB C 78 36.374 36.374 34.159 2.215 18487 8146 1 16 . 1 1 78 78 MET H H 78 9.333 9.333 8.933 0.400 18487 8147 1 16 . 1 1 79 79 ILE N N 79 127.512 127.512 127.715 -0.203 18487 8148 1 16 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.327 -0.335 18487 8149 1 16 . 1 1 79 79 ILE CA C 79 61.626 61.626 58.973 2.653 18487 8150 1 16 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.269 2.118 18487 8151 1 16 . 1 1 79 79 ILE H H 79 9.396 9.396 8.603 0.793 18487 8152 1 16 . 1 1 80 80 GLY N N 80 117.437 117.437 115.486 1.951 18487 8153 1 16 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.225 0.385 18487 8154 1 16 . 1 1 80 80 GLY H H 80 7.916 7.916 7.888 0.028 18487 8155 1 16 . 1 1 81 81 ASP N N 81 118.860 118.860 118.540 0.320 18487 8156 1 16 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.395 0.278 18487 8157 1 16 . 1 1 81 81 ASP CA C 81 55.034 55.034 56.792 -1.758 18487 8158 1 16 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.218 -1.544 18487 8159 1 16 . 1 1 81 81 ASP H H 81 7.983 7.983 8.563 -0.580 18487 8160 1 16 . 1 1 82 82 ASP N N 82 118.682 118.682 117.064 1.618 18487 8161 1 16 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.702 0.117 18487 8162 1 16 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.256 -3.118 18487 8163 1 16 . 1 1 82 82 ASP CB C 82 40.994 40.994 42.191 -1.197 18487 8164 1 16 . 1 1 82 82 ASP H H 82 9.164 9.164 8.629 0.535 18487 8165 1 16 . 1 1 83 83 PHE N N 83 110.898 110.898 111.594 -0.696 18487 8166 1 16 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.203 0.647 18487 8167 1 16 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.783 0.182 18487 8168 1 16 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.012 0.734 18487 8169 1 16 . 1 1 83 83 PHE H H 83 6.887 6.887 7.309 -0.422 18487 8170 1 16 . 1 1 84 84 LEU N N 84 121.119 121.119 121.742 -0.623 18487 8171 1 16 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.035 0.198 18487 8172 1 16 . 1 1 84 84 LEU CA C 84 52.966 52.966 54.331 -1.365 18487 8173 1 16 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.335 2.073 18487 8174 1 16 . 1 1 84 84 LEU H H 84 9.118 9.118 8.843 0.275 18487 8175 1 16 . 1 1 85 85 THR N N 85 125.430 125.430 126.048 -0.618 18487 8176 1 16 . 1 1 85 85 THR HA H 85 5.639 5.639 5.124 0.515 18487 8177 1 16 . 1 1 85 85 THR CA C 85 61.743 61.743 62.145 -0.402 18487 8178 1 16 . 1 1 85 85 THR CB C 85 69.835 69.835 69.552 0.283 18487 8179 1 16 . 1 1 85 85 THR H H 85 9.780 9.780 8.867 0.913 18487 8180 1 16 . 1 1 86 86 ILE N N 86 126.778 126.778 128.414 -1.636 18487 8181 1 16 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.296 0.415 18487 8182 1 16 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.494 -1.789 18487 8183 1 16 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.303 2.041 18487 8184 1 16 . 1 1 86 86 ILE H H 86 9.151 9.151 8.805 0.346 18487 8185 1 16 . 1 1 87 87 ASN N N 87 124.785 124.785 126.493 -1.708 18487 8186 1 16 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.825 0.201 18487 8187 1 16 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.540 -0.508 18487 8188 1 16 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.183 -1.504 18487 8189 1 16 . 1 1 87 87 ASN H H 87 8.680 8.680 8.796 -0.116 18487 8190 1 16 . 1 1 88 88 LYS N N 88 122.617 122.617 121.591 1.026 18487 8191 1 16 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.931 0.308 18487 8192 1 16 . 1 1 88 88 LYS CA C 88 53.514 53.514 54.688 -1.174 18487 8193 1 16 . 1 1 88 88 LYS CB C 88 36.255 36.255 35.657 0.598 18487 8194 1 16 . 1 1 88 88 LYS H H 88 9.361 9.361 8.785 0.576 18487 8195 1 16 . 1 1 89 89 ASP N N 89 121.211 121.211 120.719 0.492 18487 8196 1 16 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.483 -0.022 18487 8197 1 16 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.375 -0.480 18487 8198 1 16 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.698 0.046 18487 8199 1 16 . 1 1 89 89 ASP H H 89 8.454 8.454 8.228 0.226 18487 8200 1 16 . 1 1 90 90 ARG N N 90 124.551 124.551 125.398 -0.847 18487 8201 1 16 . 1 1 90 90 ARG HA H 90 4.074 4.074 3.977 0.097 18487 8202 1 16 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.028 0.081 18487 8203 1 16 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.729 0.166 18487 8204 1 16 . 1 1 90 90 ARG H H 90 8.475 8.475 8.669 -0.194 18487 8205 1 16 . 1 1 91 91 MET N N 91 115.821 115.821 116.746 -0.925 18487 8206 1 16 . 1 1 91 91 MET HA H 91 4.424 4.424 4.175 0.249 18487 8207 1 16 . 1 1 91 91 MET CA C 91 55.206 55.206 56.029 -0.823 18487 8208 1 16 . 1 1 91 91 MET CB C 91 31.307 31.307 32.584 -1.277 18487 8209 1 16 . 1 1 91 91 MET H H 91 8.725 8.725 7.651 1.074 18487 8210 1 16 . 1 1 92 92 VAL N N 92 119.922 119.922 116.874 3.048 18487 8211 1 16 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.941 0.165 18487 8212 1 16 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.218 -0.160 18487 8213 1 16 . 1 1 92 92 VAL CB C 92 33.144 33.144 33.007 0.137 18487 8214 1 16 . 1 1 92 92 VAL H H 92 7.348 7.348 7.243 0.105 18487 8215 1 16 . 1 1 93 93 HIS N N 93 125.619 125.619 122.434 3.185 18487 8216 1 16 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.748 -0.152 18487 8217 1 16 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.524 -0.130 18487 8218 1 16 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.484 -0.826 18487 8219 1 16 . 1 1 93 93 HIS H H 93 8.851 8.851 8.429 0.422 18487 8220 1 16 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.501 0.499 18487 8221 1 16 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.745 -0.745 18487 8222 1 16 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.264 0.736 18487 8223 1 16 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.518 0.179 18487 8224 1 16 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.949 0.078 18487 8225 1 16 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.804 -0.653 18487 8226 1 16 . 1 1 96 96 SER N N 96 113.047 113.047 113.950 -0.903 18487 8227 1 16 . 1 1 96 96 SER HA H 96 4.628 4.628 4.422 0.206 18487 8228 1 16 . 1 1 96 96 SER CA C 96 60.183 60.183 60.817 -0.634 18487 8229 1 16 . 1 1 96 96 SER CB C 96 63.901 63.901 64.087 -0.186 18487 8230 1 16 . 1 1 96 96 SER H H 96 8.064 8.064 7.746 0.318 18487 8231 1 16 . 1 1 97 97 ILE N N 97 116.621 116.621 120.531 -3.910 18487 8232 1 16 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.129 0.513 18487 8233 1 16 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.190 -0.411 18487 8234 1 16 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.283 4.144 18487 8235 1 16 . 1 1 97 97 ILE H H 97 7.705 7.705 7.235 0.470 18487 8236 1 16 . 1 1 98 98 LYS N N 98 120.198 120.198 121.558 -1.360 18487 8237 1 16 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.320 -0.063 18487 8238 1 16 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.239 0.474 18487 8239 1 16 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.978 -0.005 18487 8240 1 16 . 1 1 98 98 LYS H H 98 9.132 9.132 8.390 0.742 18487 8241 1 16 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.296 -0.012 18487 8242 1 16 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.088 0.246 18487 8243 1 16 . 1 1 99 99 PRO CB C 99 30.401 30.401 30.997 -0.596 18487 8244 1 16 . 1 1 100 100 GLU N N 100 117.097 117.097 118.527 -1.430 18487 8245 1 16 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.117 0.035 18487 8246 1 16 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.706 0.113 18487 8247 1 16 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.738 0.679 18487 8248 1 16 . 1 1 100 100 GLU H H 100 7.447 7.447 7.794 -0.347 18487 8249 1 16 . 1 1 101 101 ILE N N 101 118.326 118.326 120.934 -2.608 18487 8250 1 16 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.463 -0.099 18487 8251 1 16 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.597 -2.236 18487 8252 1 16 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.463 -1.614 18487 8253 1 16 . 1 1 101 101 ILE H H 101 7.896 7.896 7.885 0.011 18487 8254 1 16 . 1 1 102 102 ILE N N 102 118.368 118.368 119.735 -1.367 18487 8255 1 16 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.477 -0.069 18487 8256 1 16 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.513 0.734 18487 8257 1 16 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.550 -0.309 18487 8258 1 16 . 1 1 102 102 ILE H H 102 8.243 8.243 7.928 0.315 18487 8259 1 16 . 1 1 103 103 ASP N N 103 122.381 122.381 119.731 2.650 18487 8260 1 16 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.366 0.012 18487 8261 1 16 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.117 0.865 18487 8262 1 16 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.911 0.623 18487 8263 1 16 . 1 1 103 103 ASP H H 103 7.900 7.900 7.744 0.156 18487 8264 1 16 . 1 1 104 104 LEU N N 104 119.007 119.007 120.099 -1.092 18487 8265 1 16 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.955 0.043 18487 8266 1 16 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.981 -0.242 18487 8267 1 16 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.867 0.275 18487 8268 1 16 . 1 1 104 104 LEU H H 104 8.261 8.261 8.024 0.237 18487 8269 1 16 . 1 1 105 105 LEU N N 105 120.443 120.443 118.659 1.784 18487 8270 1 16 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.025 -0.038 18487 8271 1 16 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.950 -0.449 18487 8272 1 16 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.078 1.009 18487 8273 1 16 . 1 1 105 105 LEU H H 105 9.022 9.022 8.338 0.684 18487 8274 1 16 . 1 1 106 106 THR N N 106 114.821 114.821 115.874 -1.053 18487 8275 1 16 . 1 1 106 106 THR HA H 106 3.698 3.698 3.896 -0.198 18487 8276 1 16 . 1 1 106 106 THR CA C 106 67.610 67.610 67.503 0.107 18487 8277 1 16 . 1 1 106 106 THR CB C 106 68.325 68.325 68.649 -0.324 18487 8278 1 16 . 1 1 106 106 THR H H 106 8.273 8.273 7.675 0.598 18487 8279 1 16 . 1 1 107 107 LYS N N 107 120.049 120.049 120.550 -0.501 18487 8280 1 16 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.649 0.258 18487 8281 1 16 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.316 0.139 18487 8282 1 16 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.657 0.705 18487 8283 1 16 . 1 1 107 107 LYS H H 107 7.691 7.691 7.692 -0.001 18487 8284 1 16 . 1 1 108 108 GLN N N 108 118.375 118.375 120.261 -1.886 18487 8285 1 16 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.090 -0.072 18487 8286 1 16 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.851 -0.868 18487 8287 1 16 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.763 -1.108 18487 8288 1 16 . 1 1 108 108 GLN H H 108 7.888 7.888 7.702 0.186 18487 8289 1 16 . 1 1 109 109 LEU N N 109 118.066 118.066 117.189 0.877 18487 8290 1 16 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.347 -0.165 18487 8291 1 16 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.604 -0.137 18487 8292 1 16 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.773 0.037 18487 8293 1 16 . 1 1 109 109 LEU H H 109 8.269 8.269 7.529 0.740 18487 8294 1 16 . 1 1 110 110 ALA N N 110 120.909 120.909 120.884 0.025 18487 8295 1 16 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.042 -0.010 18487 8296 1 16 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.356 -0.116 18487 8297 1 16 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.803 -0.136 18487 8298 1 16 . 1 1 110 110 ALA H H 110 8.171 8.171 7.643 0.528 18487 8299 1 16 . 1 1 111 111 TYR N N 111 114.611 114.611 115.600 -0.989 18487 8300 1 16 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.820 -0.178 18487 8301 1 16 . 1 1 111 111 TYR CA C 111 57.927 57.927 57.809 0.118 18487 8302 1 16 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.425 -0.953 18487 8303 1 16 . 1 1 111 111 TYR H H 111 7.763 7.763 7.715 0.048 18487 8304 1 16 . 1 1 112 112 GLY N N 112 107.916 107.916 107.586 0.330 18487 8305 1 16 . 1 1 112 112 GLY CA C 112 46.208 46.208 44.852 1.357 18487 8306 1 16 . 1 1 112 112 GLY H H 112 7.941 7.941 7.778 0.163 18487 8307 1 16 . 1 1 113 113 GLU N N 113 119.571 119.571 117.499 2.072 18487 8308 1 16 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.425 -0.035 18487 8309 1 16 . 1 1 113 113 GLU CA C 113 56.025 56.025 56.727 -0.702 18487 8310 1 16 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.404 -1.001 18487 8311 1 16 . 1 1 113 113 GLU H H 113 8.166 8.166 8.385 -0.219 18487 8312 1 16 . 1 1 114 114 ASP N N 114 121.457 121.457 118.248 3.209 18487 8313 1 16 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.750 -0.125 18487 8314 1 16 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.144 0.931 18487 8315 1 16 . 1 1 114 114 ASP CB C 114 40.997 40.997 42.283 -1.286 18487 8316 1 16 . 1 1 114 114 ASP H H 114 8.560 8.560 7.994 0.566 18487 8317 1 16 . 1 1 115 115 VAL N N 115 120.645 120.645 117.398 3.247 18487 8318 1 16 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.537 -0.458 18487 8319 1 16 . 1 1 115 115 VAL CA C 115 63.518 63.518 62.340 1.178 18487 8320 1 16 . 1 1 115 115 VAL CB C 115 31.833 31.833 34.154 -2.321 18487 8321 1 16 . 1 1 115 115 VAL H H 115 8.659 8.659 8.274 0.385 18487 8322 1 16 . 1 1 116 116 ILE N N 116 120.775 120.775 119.666 1.109 18487 8323 1 16 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.222 0.441 18487 8324 1 16 . 1 1 116 116 ILE CA C 116 59.736 59.736 62.006 -2.270 18487 8325 1 16 . 1 1 116 116 ILE CB C 116 39.798 39.798 38.168 1.630 18487 8326 1 16 . 1 1 116 116 ILE H H 116 7.881 7.881 7.406 0.475 18487 8327 1 16 . 1 1 117 117 SER N N 117 121.192 121.192 113.099 8.093 18487 8328 1 16 . 1 1 117 117 SER HA H 117 4.641 4.641 4.780 -0.139 18487 8329 1 16 . 1 1 117 117 SER CA C 117 57.846 57.846 57.405 0.441 18487 8330 1 16 . 1 1 117 117 SER CB C 117 63.962 63.962 66.057 -2.095 18487 8331 1 16 . 1 1 117 117 SER H H 117 8.767 8.767 8.305 0.462 18487 8332 1 16 . 1 1 118 118 LYS N N 118 124.317 124.317 118.953 5.364 18487 8333 1 16 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.684 -0.328 18487 8334 1 16 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.974 0.563 18487 8335 1 16 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.453 0.597 18487 8336 1 16 . 1 1 118 118 LYS H H 118 8.633 8.633 8.507 0.126 18487 8337 1 17 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.796 -0.116 18487 8338 1 17 . 1 1 11 11 MET N N 11 120.918 120.918 121.155 -0.237 18487 8339 1 17 . 1 1 11 11 MET HA H 11 4.435 4.435 4.734 -0.299 18487 8340 1 17 . 1 1 11 11 MET CA C 11 55.736 55.736 55.681 0.056 18487 8341 1 17 . 1 1 11 11 MET CB C 11 32.501 32.501 33.606 -1.105 18487 8342 1 17 . 1 1 11 11 MET H H 11 8.289 8.289 8.499 -0.210 18487 8343 1 17 . 1 1 12 12 ASN N N 12 120.356 120.356 122.392 -2.036 18487 8344 1 17 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.813 -0.055 18487 8345 1 17 . 1 1 12 12 ASN CA C 12 53.488 53.488 54.036 -0.548 18487 8346 1 17 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.895 -1.319 18487 8347 1 17 . 1 1 12 12 ASN H H 12 8.583 8.583 8.435 0.148 18487 8348 1 17 . 1 1 13 13 SER N N 13 116.582 116.582 118.286 -1.704 18487 8349 1 17 . 1 1 13 13 SER HA H 13 4.378 4.378 4.596 -0.218 18487 8350 1 17 . 1 1 13 13 SER CA C 13 58.842 58.842 58.799 0.043 18487 8351 1 17 . 1 1 13 13 SER CB C 13 63.403 63.403 63.604 -0.201 18487 8352 1 17 . 1 1 13 13 SER H H 13 8.319 8.319 8.733 -0.414 18487 8353 1 17 . 1 1 14 14 GLN N N 14 121.369 121.369 120.155 1.214 18487 8354 1 17 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.465 -0.147 18487 8355 1 17 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.566 0.533 18487 8356 1 17 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.747 -0.803 18487 8357 1 17 . 1 1 14 14 GLN H H 14 8.365 8.365 7.881 0.484 18487 8358 1 17 . 1 1 15 15 ARG N N 15 121.565 121.565 121.863 -0.298 18487 8359 1 17 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.490 -0.176 18487 8360 1 17 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.412 0.476 18487 8361 1 17 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.769 -0.342 18487 8362 1 17 . 1 1 15 15 ARG H H 15 8.084 8.084 8.301 -0.217 18487 8363 1 17 . 1 1 16 16 LEU N N 16 123.810 123.810 121.789 2.021 18487 8364 1 17 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.661 -0.318 18487 8365 1 17 . 1 1 16 16 LEU CA C 16 54.640 54.640 52.532 2.108 18487 8366 1 17 . 1 1 16 16 LEU CB C 16 42.062 42.062 43.932 -1.870 18487 8367 1 17 . 1 1 16 16 LEU H H 16 8.254 8.254 8.064 0.190 18487 8368 1 17 . 1 1 17 17 ILE N N 17 122.996 122.996 119.947 3.049 18487 8369 1 17 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.067 0.087 18487 8370 1 17 . 1 1 17 17 ILE CA C 17 60.214 60.214 61.054 -0.840 18487 8371 1 17 . 1 1 17 17 ILE CB C 17 38.784 38.784 37.751 1.033 18487 8372 1 17 . 1 1 17 17 ILE H H 17 8.006 8.006 8.177 -0.171 18487 8373 1 17 . 1 1 18 18 HIS N N 18 126.123 126.123 127.572 -1.449 18487 8374 1 17 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.592 0.253 18487 8375 1 17 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.436 -1.231 18487 8376 1 17 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.544 -0.347 18487 8377 1 17 . 1 1 18 18 HIS H H 18 9.025 9.025 8.192 0.833 18487 8378 1 17 . 1 1 19 19 ILE N N 19 124.783 124.783 123.172 1.611 18487 8379 1 17 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.605 0.385 18487 8380 1 17 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.808 -1.300 18487 8381 1 17 . 1 1 19 19 ILE CB C 19 38.350 38.350 39.861 -1.511 18487 8382 1 17 . 1 1 19 19 ILE H H 19 8.485 8.485 8.523 -0.038 18487 8383 1 17 . 1 1 20 20 LYS N N 20 128.184 128.184 128.496 -0.312 18487 8384 1 17 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.603 0.156 18487 8385 1 17 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.198 -1.069 18487 8386 1 17 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.886 0.755 18487 8387 1 17 . 1 1 20 20 LYS H H 20 9.253 9.253 9.028 0.225 18487 8388 1 17 . 1 1 21 21 THR N N 21 114.649 114.649 120.694 -6.045 18487 8389 1 17 . 1 1 21 21 THR HA H 21 4.930 4.930 4.630 0.300 18487 8390 1 17 . 1 1 21 21 THR CA C 21 60.191 60.191 62.364 -2.173 18487 8391 1 17 . 1 1 21 21 THR CB C 21 69.966 69.966 69.003 0.963 18487 8392 1 17 . 1 1 21 21 THR H H 21 8.232 8.232 8.415 -0.183 18487 8393 1 17 . 1 1 22 22 LEU N N 22 125.973 125.973 129.006 -3.033 18487 8394 1 17 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.652 0.027 18487 8395 1 17 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.436 0.317 18487 8396 1 17 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.121 0.013 18487 8397 1 17 . 1 1 22 22 LEU H H 22 9.156 9.156 8.744 0.412 18487 8398 1 17 . 1 1 23 23 THR N N 23 112.582 112.582 113.795 -1.213 18487 8399 1 17 . 1 1 23 23 THR HA H 23 4.281 4.281 4.375 -0.094 18487 8400 1 17 . 1 1 23 23 THR CA C 23 61.474 61.474 61.471 0.003 18487 8401 1 17 . 1 1 23 23 THR CB C 23 69.759 69.759 69.590 0.169 18487 8402 1 17 . 1 1 23 23 THR H H 23 7.912 7.912 8.314 -0.402 18487 8403 1 17 . 1 1 24 24 THR N N 24 112.952 112.952 114.651 -1.699 18487 8404 1 17 . 1 1 24 24 THR HA H 24 5.040 5.040 4.878 0.162 18487 8405 1 17 . 1 1 24 24 THR CA C 24 60.000 60.000 58.662 1.338 18487 8406 1 17 . 1 1 24 24 THR CB C 24 69.872 69.872 69.185 0.687 18487 8407 1 17 . 1 1 24 24 THR H H 24 8.793 8.793 8.331 0.462 18487 8408 1 17 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.540 -0.095 18487 8409 1 17 . 1 1 25 25 PRO CA C 25 64.322 64.322 62.952 1.370 18487 8410 1 17 . 1 1 25 25 PRO CB C 25 31.580 31.580 30.056 1.524 18487 8411 1 17 . 1 1 26 26 ASN N N 26 115.534 115.534 119.114 -3.580 18487 8412 1 17 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.749 0.186 18487 8413 1 17 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.611 -1.574 18487 8414 1 17 . 1 1 26 26 ASN CB C 26 39.722 39.722 41.245 -1.524 18487 8415 1 17 . 1 1 26 26 ASN H H 26 7.774 7.774 7.728 0.046 18487 8416 1 17 . 1 1 27 27 GLU N N 27 127.099 127.099 122.612 4.487 18487 8417 1 17 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.356 0.054 18487 8418 1 17 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.596 0.361 18487 8419 1 17 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.177 -1.072 18487 8420 1 17 . 1 1 27 27 GLU H H 27 9.428 9.428 8.851 0.577 18487 8421 1 17 . 1 1 28 28 ASN N N 28 115.176 115.176 119.417 -4.241 18487 8422 1 17 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.883 0.103 18487 8423 1 17 . 1 1 28 28 ASN CA C 28 53.784 53.784 53.016 0.768 18487 8424 1 17 . 1 1 28 28 ASN CB C 28 38.545 38.545 39.217 -0.672 18487 8425 1 17 . 1 1 28 28 ASN H H 28 8.591 8.591 8.534 0.056 18487 8426 1 17 . 1 1 29 29 ALA N N 29 123.317 123.317 121.236 2.081 18487 8427 1 17 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.744 0.632 18487 8428 1 17 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.746 0.564 18487 8429 1 17 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.918 0.240 18487 8430 1 17 . 1 1 29 29 ALA H H 29 8.210 8.210 7.439 0.771 18487 8431 1 17 . 1 1 30 30 LEU N N 30 124.426 124.426 123.925 0.501 18487 8432 1 17 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.412 0.096 18487 8433 1 17 . 1 1 30 30 LEU CA C 30 53.660 53.660 53.758 -0.098 18487 8434 1 17 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.993 0.558 18487 8435 1 17 . 1 1 30 30 LEU H H 30 8.550 8.550 8.088 0.462 18487 8436 1 17 . 1 1 31 31 LYS N N 31 123.555 123.555 125.511 -1.956 18487 8437 1 17 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.712 0.427 18487 8438 1 17 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.230 -0.147 18487 8439 1 17 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.763 1.408 18487 8440 1 17 . 1 1 31 31 LYS H H 31 8.169 8.169 7.878 0.291 18487 8441 1 17 . 1 1 32 32 PHE N N 32 124.529 124.529 124.955 -0.426 18487 8442 1 17 . 1 1 32 32 PHE HA H 32 4.975 4.975 5.236 -0.261 18487 8443 1 17 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.443 0.031 18487 8444 1 17 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.848 -0.771 18487 8445 1 17 . 1 1 32 32 PHE H H 32 9.634 9.634 8.958 0.676 18487 8446 1 17 . 1 1 33 33 LEU N N 33 122.712 122.712 125.974 -3.262 18487 8447 1 17 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.902 0.162 18487 8448 1 17 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.613 0.774 18487 8449 1 17 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.025 0.801 18487 8450 1 17 . 1 1 33 33 LEU H H 33 9.174 9.174 9.133 0.041 18487 8451 1 17 . 1 1 34 34 SER N N 34 117.120 117.120 122.250 -5.130 18487 8452 1 17 . 1 1 34 34 SER HA H 34 5.116 5.116 4.472 0.644 18487 8453 1 17 . 1 1 34 34 SER CA C 34 56.626 56.626 59.273 -2.647 18487 8454 1 17 . 1 1 34 34 SER CB C 34 64.053 64.053 63.339 0.714 18487 8455 1 17 . 1 1 34 34 SER H H 34 8.979 8.979 8.412 0.567 18487 8456 1 17 . 1 1 35 35 THR N N 35 117.097 117.097 121.661 -4.564 18487 8457 1 17 . 1 1 35 35 THR HA H 35 4.460 4.460 4.605 -0.145 18487 8458 1 17 . 1 1 35 35 THR CA C 35 62.944 62.944 61.609 1.335 18487 8459 1 17 . 1 1 35 35 THR CB C 35 69.779 69.779 69.271 0.508 18487 8460 1 17 . 1 1 35 35 THR H H 35 8.646 8.646 8.290 0.356 18487 8461 1 17 . 1 1 36 36 ASP N N 36 120.039 120.039 120.982 -0.943 18487 8462 1 17 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.691 0.164 18487 8463 1 17 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.108 -0.367 18487 8464 1 17 . 1 1 36 36 ASP CB C 36 41.519 41.519 42.548 -1.029 18487 8465 1 17 . 1 1 36 36 ASP H H 36 8.711 8.711 7.593 1.118 18487 8466 1 17 . 1 1 37 37 GLY N N 37 107.015 107.015 106.271 0.744 18487 8467 1 17 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.303 0.326 18487 8468 1 17 . 1 1 37 37 GLY H H 37 8.020 8.020 7.873 0.147 18487 8469 1 17 . 1 1 38 38 GLU N N 38 120.021 120.021 122.550 -2.529 18487 8470 1 17 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.606 -0.328 18487 8471 1 17 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.139 2.004 18487 8472 1 17 . 1 1 38 38 GLU CB C 38 29.317 29.317 28.965 0.352 18487 8473 1 17 . 1 1 38 38 GLU H H 38 8.101 8.101 8.169 -0.068 18487 8474 1 17 . 1 1 39 39 MET N N 39 121.372 121.372 125.486 -4.114 18487 8475 1 17 . 1 1 39 39 MET HA H 39 4.799 4.799 4.695 0.104 18487 8476 1 17 . 1 1 39 39 MET CA C 39 54.229 54.229 55.943 -1.714 18487 8477 1 17 . 1 1 39 39 MET CB C 39 33.392 33.392 33.350 0.042 18487 8478 1 17 . 1 1 39 39 MET H H 39 8.571 8.571 8.540 0.031 18487 8479 1 17 . 1 1 40 40 LEU N N 40 121.913 121.913 124.285 -2.372 18487 8480 1 17 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.296 -0.037 18487 8481 1 17 . 1 1 40 40 LEU CA C 40 57.144 57.144 57.278 -0.134 18487 8482 1 17 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.359 0.067 18487 8483 1 17 . 1 1 40 40 LEU H H 40 8.572 8.572 8.514 0.058 18487 8484 1 17 . 1 1 41 41 GLN N N 41 114.647 114.647 115.447 -0.800 18487 8485 1 17 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.521 0.147 18487 8486 1 17 . 1 1 41 41 GLN CA C 41 54.397 54.397 55.599 -1.202 18487 8487 1 17 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.767 3.523 18487 8488 1 17 . 1 1 41 41 GLN H H 41 8.420 8.420 7.945 0.475 18487 8489 1 17 . 1 1 42 42 THR N N 42 111.706 111.706 113.790 -2.084 18487 8490 1 17 . 1 1 42 42 THR HA H 42 4.038 4.038 4.579 -0.541 18487 8491 1 17 . 1 1 42 42 THR CA C 42 63.082 63.082 61.885 1.197 18487 8492 1 17 . 1 1 42 42 THR CB C 42 69.264 69.264 71.645 -2.381 18487 8493 1 17 . 1 1 42 42 THR H H 42 8.205 8.205 7.833 0.372 18487 8494 1 17 . 1 1 43 43 ARG N N 43 126.367 126.367 124.026 2.341 18487 8495 1 17 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.309 -0.160 18487 8496 1 17 . 1 1 43 43 ARG CA C 43 57.433 57.433 55.680 1.753 18487 8497 1 17 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.698 -0.771 18487 8498 1 17 . 1 1 43 43 ARG H H 43 8.885 8.885 8.688 0.197 18487 8499 1 17 . 1 1 44 44 GLY N N 44 116.299 116.299 111.349 4.950 18487 8500 1 17 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.283 -0.407 18487 8501 1 17 . 1 1 44 44 GLY H H 44 9.999 9.999 8.871 1.128 18487 8502 1 17 . 1 1 45 45 SER N N 45 117.374 117.374 115.668 1.706 18487 8503 1 17 . 1 1 45 45 SER HA H 45 4.316 4.316 4.598 -0.282 18487 8504 1 17 . 1 1 45 45 SER CA C 45 59.967 59.967 57.913 2.054 18487 8505 1 17 . 1 1 45 45 SER CB C 45 63.866 63.866 64.620 -0.753 18487 8506 1 17 . 1 1 45 45 SER H H 45 8.034 8.034 8.009 0.025 18487 8507 1 17 . 1 1 46 46 LYS N N 46 124.024 124.024 123.230 0.794 18487 8508 1 17 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.442 -0.185 18487 8509 1 17 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.819 0.483 18487 8510 1 17 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.399 -0.722 18487 8511 1 17 . 1 1 46 46 LYS H H 46 8.560 8.560 8.387 0.173 18487 8512 1 17 . 1 1 47 47 SER N N 47 119.851 119.851 119.948 -0.097 18487 8513 1 17 . 1 1 47 47 SER HA H 47 4.824 4.824 4.585 0.239 18487 8514 1 17 . 1 1 47 47 SER CA C 47 57.920 57.920 58.944 -1.024 18487 8515 1 17 . 1 1 47 47 SER CB C 47 63.770 63.770 63.401 0.369 18487 8516 1 17 . 1 1 47 47 SER H H 47 8.663 8.663 8.635 0.028 18487 8517 1 17 . 1 1 48 48 ILE N N 48 124.054 124.054 126.866 -2.812 18487 8518 1 17 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.197 0.160 18487 8519 1 17 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.288 -1.176 18487 8520 1 17 . 1 1 48 48 ILE CB C 48 41.097 41.097 39.060 2.037 18487 8521 1 17 . 1 1 48 48 ILE H H 48 8.619 8.619 8.080 0.539 18487 8522 1 17 . 1 1 49 49 VAL N N 49 128.260 128.260 127.816 0.444 18487 8523 1 17 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.725 0.007 18487 8524 1 17 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.466 0.546 18487 8525 1 17 . 1 1 49 49 VAL CB C 49 32.611 32.611 32.124 0.486 18487 8526 1 17 . 1 1 49 49 VAL H H 49 8.498 8.498 8.516 -0.018 18487 8527 1 17 . 1 1 50 50 ILE N N 50 127.715 127.715 130.420 -2.705 18487 8528 1 17 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.292 0.211 18487 8529 1 17 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.709 0.781 18487 8530 1 17 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.855 2.608 18487 8531 1 17 . 1 1 50 50 ILE H H 50 9.236 9.236 9.086 0.150 18487 8532 1 17 . 1 1 51 51 LYS N N 51 127.422 127.422 128.334 -0.912 18487 8533 1 17 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.467 0.193 18487 8534 1 17 . 1 1 51 51 LYS CA C 51 55.550 55.550 56.240 -0.690 18487 8535 1 17 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.199 0.744 18487 8536 1 17 . 1 1 51 51 LYS H H 51 9.673 9.673 8.697 0.976 18487 8537 1 17 . 1 1 52 52 ASN N N 52 117.981 117.981 121.880 -3.899 18487 8538 1 17 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.441 -0.693 18487 8539 1 17 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.123 0.044 18487 8540 1 17 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.537 -1.154 18487 8541 1 17 . 1 1 52 52 ASN H H 52 8.119 8.119 8.838 -0.719 18487 8542 1 17 . 1 1 53 53 THR N N 53 105.425 105.425 112.323 -6.898 18487 8543 1 17 . 1 1 53 53 THR HA H 53 4.218 4.218 4.174 0.044 18487 8544 1 17 . 1 1 53 53 THR CA C 53 60.619 60.619 63.034 -2.415 18487 8545 1 17 . 1 1 53 53 THR CB C 53 69.221 69.221 69.303 -0.082 18487 8546 1 17 . 1 1 53 53 THR H H 53 6.908 6.908 7.996 -1.088 18487 8547 1 17 . 1 1 54 54 ASP N N 54 125.547 125.547 122.955 2.592 18487 8548 1 17 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.776 0.190 18487 8549 1 17 . 1 1 54 54 ASP CA C 54 53.513 53.513 52.444 1.069 18487 8550 1 17 . 1 1 54 54 ASP CB C 54 39.956 39.956 40.927 -0.971 18487 8551 1 17 . 1 1 54 54 ASP H H 54 7.811 7.811 7.338 0.473 18487 8552 1 17 . 1 1 55 55 GLU N N 55 123.946 123.946 125.911 -1.965 18487 8553 1 17 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.895 -0.072 18487 8554 1 17 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.400 0.724 18487 8555 1 17 . 1 1 55 55 GLU CB C 55 29.932 29.932 28.926 1.006 18487 8556 1 17 . 1 1 55 55 GLU H H 55 7.919 7.919 8.171 -0.252 18487 8557 1 17 . 1 1 56 56 ASN N N 56 115.295 115.295 119.017 -3.722 18487 8558 1 17 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.489 0.065 18487 8559 1 17 . 1 1 56 56 ASN CA C 56 56.108 56.108 56.332 -0.224 18487 8560 1 17 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.273 -0.006 18487 8561 1 17 . 1 1 56 56 ASN H H 56 8.728 8.728 7.686 1.042 18487 8562 1 17 . 1 1 57 57 LEU N N 57 120.223 120.223 119.639 0.584 18487 8563 1 17 . 1 1 57 57 LEU HA H 57 4.235 4.235 3.832 0.403 18487 8564 1 17 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.864 -0.275 18487 8565 1 17 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.885 1.027 18487 8566 1 17 . 1 1 57 57 LEU H H 57 7.621 7.621 8.020 -0.399 18487 8567 1 17 . 1 1 58 58 ILE N N 58 120.489 120.489 119.855 0.634 18487 8568 1 17 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.816 -0.280 18487 8569 1 17 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.212 1.127 18487 8570 1 17 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.809 0.584 18487 8571 1 17 . 1 1 58 58 ILE H H 58 8.461 8.461 7.629 0.832 18487 8572 1 17 . 1 1 59 59 ASN N N 59 114.873 114.873 117.618 -2.745 18487 8573 1 17 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.547 -0.069 18487 8574 1 17 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.684 -0.730 18487 8575 1 17 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.321 -0.285 18487 8576 1 17 . 1 1 59 59 ASN H H 59 7.958 7.958 8.310 -0.352 18487 8577 1 17 . 1 1 60 60 HIS N N 60 115.059 115.059 114.243 0.816 18487 8578 1 17 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.546 0.222 18487 8579 1 17 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.054 -0.717 18487 8580 1 17 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.652 -0.836 18487 8581 1 17 . 1 1 60 60 HIS H H 60 7.633 7.633 7.832 -0.199 18487 8582 1 17 . 1 1 61 61 SER N N 61 115.447 115.447 113.393 2.054 18487 8583 1 17 . 1 1 61 61 SER HA H 61 5.135 5.135 5.057 0.078 18487 8584 1 17 . 1 1 61 61 SER CA C 61 56.072 56.072 56.258 -0.186 18487 8585 1 17 . 1 1 61 61 SER CB C 61 63.806 63.806 64.764 -0.958 18487 8586 1 17 . 1 1 61 61 SER H H 61 7.849 7.849 7.609 0.240 18487 8587 1 17 . 1 1 62 62 LYS N N 62 132.090 132.090 128.027 4.063 18487 8588 1 17 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.237 -0.193 18487 8589 1 17 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.874 0.671 18487 8590 1 17 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.106 -0.567 18487 8591 1 17 . 1 1 62 62 LYS H H 62 9.021 9.021 8.569 0.452 18487 8592 1 17 . 1 1 63 63 LEU N N 63 118.793 118.793 118.969 -0.176 18487 8593 1 17 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.038 0.088 18487 8594 1 17 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.987 -0.337 18487 8595 1 17 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.561 0.218 18487 8596 1 17 . 1 1 63 63 LEU H H 63 8.567 8.567 7.925 0.642 18487 8597 1 17 . 1 1 64 64 ALA N N 64 118.752 118.752 121.095 -2.343 18487 8598 1 17 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.688 -0.068 18487 8599 1 17 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.131 -0.074 18487 8600 1 17 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.264 0.321 18487 8601 1 17 . 1 1 64 64 ALA H H 64 7.645 7.645 7.540 0.105 18487 8602 1 17 . 1 1 65 65 GLN N N 65 115.176 115.176 118.152 -2.976 18487 8603 1 17 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.986 -0.040 18487 8604 1 17 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.250 0.007 18487 8605 1 17 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.526 0.074 18487 8606 1 17 . 1 1 65 65 GLN H H 65 8.539 8.539 7.797 0.742 18487 8607 1 17 . 1 1 66 66 GLN N N 66 115.801 115.801 118.373 -2.572 18487 8608 1 17 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.078 -0.012 18487 8609 1 17 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.413 0.146 18487 8610 1 17 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.403 1.094 18487 8611 1 17 . 1 1 66 66 GLN H H 66 8.125 8.125 7.666 0.459 18487 8612 1 17 . 1 1 67 67 ILE N N 67 119.874 119.874 120.271 -0.397 18487 8613 1 17 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.539 -0.202 18487 8614 1 17 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.410 0.633 18487 8615 1 17 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.705 -0.787 18487 8616 1 17 . 1 1 67 67 ILE H H 67 8.281 8.281 8.059 0.222 18487 8617 1 17 . 1 1 68 68 PHE N N 68 114.873 114.873 117.205 -2.332 18487 8618 1 17 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.601 -0.106 18487 8619 1 17 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.473 0.218 18487 8620 1 17 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.422 -0.774 18487 8621 1 17 . 1 1 68 68 PHE H H 68 8.255 8.255 7.922 0.333 18487 8622 1 17 . 1 1 69 69 LEU N N 69 117.763 117.763 120.041 -2.278 18487 8623 1 17 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.084 0.211 18487 8624 1 17 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.633 -0.297 18487 8625 1 17 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.089 1.039 18487 8626 1 17 . 1 1 69 69 LEU H H 69 7.747 7.747 7.867 -0.120 18487 8627 1 17 . 1 1 70 70 GLN N N 70 115.040 115.040 115.815 -0.775 18487 8628 1 17 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.280 0.032 18487 8629 1 17 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.265 -0.035 18487 8630 1 17 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.145 -0.123 18487 8631 1 17 . 1 1 70 70 GLN H H 70 8.308 8.308 7.948 0.360 18487 8632 1 17 . 1 1 71 71 CYS N N 71 115.881 115.881 118.134 -2.253 18487 8633 1 17 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.845 0.113 18487 8634 1 17 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.970 -0.569 18487 8635 1 17 . 1 1 71 71 CYS CB C 71 28.735 28.735 31.209 -2.474 18487 8636 1 17 . 1 1 71 71 CYS H H 71 8.242 8.242 7.958 0.284 18487 8637 1 17 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.663 -0.100 18487 8638 1 17 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.478 0.531 18487 8639 1 17 . 1 1 72 72 PRO CB C 72 31.411 31.411 31.840 -0.429 18487 8640 1 17 . 1 1 73 73 GLY N N 73 106.975 106.975 107.529 -0.554 18487 8641 1 17 . 1 1 73 73 GLY CA C 73 45.278 45.278 45.123 0.155 18487 8642 1 17 . 1 1 73 73 GLY H H 73 8.657 8.657 7.680 0.977 18487 8643 1 17 . 1 1 74 74 VAL N N 74 119.448 119.448 120.794 -1.346 18487 8644 1 17 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.891 0.089 18487 8645 1 17 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.618 0.183 18487 8646 1 17 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.865 -0.365 18487 8647 1 17 . 1 1 74 74 VAL H H 74 7.747 7.747 7.227 0.520 18487 8648 1 17 . 1 1 75 75 GLU N N 75 129.063 129.063 126.575 2.488 18487 8649 1 17 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.342 0.125 18487 8650 1 17 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.137 -0.107 18487 8651 1 17 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.236 0.376 18487 8652 1 17 . 1 1 75 75 GLU H H 75 8.994 8.994 8.876 0.118 18487 8653 1 17 . 1 1 76 76 SER N N 76 110.068 110.068 111.285 -1.217 18487 8654 1 17 . 1 1 76 76 SER HA H 76 5.283 5.283 5.397 -0.114 18487 8655 1 17 . 1 1 76 76 SER CA C 76 57.395 57.395 57.819 -0.424 18487 8656 1 17 . 1 1 76 76 SER CB C 76 65.281 65.281 66.253 -0.972 18487 8657 1 17 . 1 1 76 76 SER H H 76 8.306 8.306 8.035 0.271 18487 8658 1 17 . 1 1 77 77 LEU N N 77 117.334 117.334 120.984 -3.650 18487 8659 1 17 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.840 0.561 18487 8660 1 17 . 1 1 77 77 LEU CA C 77 53.581 53.581 54.050 -0.469 18487 8661 1 17 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.172 1.002 18487 8662 1 17 . 1 1 77 77 LEU H H 77 9.250 9.250 9.047 0.203 18487 8663 1 17 . 1 1 78 78 MET N N 78 121.119 121.119 124.744 -3.625 18487 8664 1 17 . 1 1 78 78 MET HA H 78 5.367 5.367 5.137 0.230 18487 8665 1 17 . 1 1 78 78 MET CA C 78 53.966 53.966 54.146 -0.180 18487 8666 1 17 . 1 1 78 78 MET CB C 78 36.374 36.374 34.413 1.960 18487 8667 1 17 . 1 1 78 78 MET H H 78 9.333 9.333 8.889 0.444 18487 8668 1 17 . 1 1 79 79 ILE N N 79 127.512 127.512 127.914 -0.402 18487 8669 1 17 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.273 -0.281 18487 8670 1 17 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.439 2.187 18487 8671 1 17 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.932 2.455 18487 8672 1 17 . 1 1 79 79 ILE H H 79 9.396 9.396 8.847 0.549 18487 8673 1 17 . 1 1 80 80 GLY N N 80 117.437 117.437 114.263 3.174 18487 8674 1 17 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.050 0.560 18487 8675 1 17 . 1 1 80 80 GLY H H 80 7.916 7.916 8.085 -0.169 18487 8676 1 17 . 1 1 81 81 ASP N N 81 118.860 118.860 118.215 0.645 18487 8677 1 17 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.528 0.145 18487 8678 1 17 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.133 -2.099 18487 8679 1 17 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.188 -1.514 18487 8680 1 17 . 1 1 81 81 ASP H H 81 7.983 7.983 7.986 -0.003 18487 8681 1 17 . 1 1 82 82 ASP N N 82 118.682 118.682 114.698 3.984 18487 8682 1 17 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.724 0.095 18487 8683 1 17 . 1 1 82 82 ASP CA C 82 52.138 52.138 53.807 -1.669 18487 8684 1 17 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.231 -0.237 18487 8685 1 17 . 1 1 82 82 ASP H H 82 9.164 9.164 8.589 0.575 18487 8686 1 17 . 1 1 83 83 PHE N N 83 110.898 110.898 113.720 -2.822 18487 8687 1 17 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.761 0.089 18487 8688 1 17 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.778 0.187 18487 8689 1 17 . 1 1 83 83 PHE CB C 83 42.746 42.746 42.427 0.319 18487 8690 1 17 . 1 1 83 83 PHE H H 83 6.887 6.887 6.977 -0.090 18487 8691 1 17 . 1 1 84 84 LEU N N 84 121.119 121.119 123.008 -1.889 18487 8692 1 17 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.237 -0.004 18487 8693 1 17 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.737 -0.771 18487 8694 1 17 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.885 1.524 18487 8695 1 17 . 1 1 84 84 LEU H H 84 9.118 9.118 9.044 0.074 18487 8696 1 17 . 1 1 85 85 THR N N 85 125.430 125.430 125.570 -0.140 18487 8697 1 17 . 1 1 85 85 THR HA H 85 5.639 5.639 5.105 0.534 18487 8698 1 17 . 1 1 85 85 THR CA C 85 61.743 61.743 62.164 -0.421 18487 8699 1 17 . 1 1 85 85 THR CB C 85 69.835 69.835 69.408 0.427 18487 8700 1 17 . 1 1 85 85 THR H H 85 9.780 9.780 9.002 0.778 18487 8701 1 17 . 1 1 86 86 ILE N N 86 126.778 126.778 128.429 -1.651 18487 8702 1 17 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.356 0.355 18487 8703 1 17 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.822 -2.117 18487 8704 1 17 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.758 1.586 18487 8705 1 17 . 1 1 86 86 ILE H H 86 9.151 9.151 8.763 0.388 18487 8706 1 17 . 1 1 87 87 ASN N N 87 124.785 124.785 126.675 -1.890 18487 8707 1 17 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.749 0.277 18487 8708 1 17 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.538 -0.506 18487 8709 1 17 . 1 1 87 87 ASN CB C 87 39.679 39.679 40.639 -0.959 18487 8710 1 17 . 1 1 87 87 ASN H H 87 8.680 8.680 8.736 -0.056 18487 8711 1 17 . 1 1 88 88 LYS N N 88 122.617 122.617 124.036 -1.419 18487 8712 1 17 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.562 0.677 18487 8713 1 17 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.682 -0.168 18487 8714 1 17 . 1 1 88 88 LYS CB C 88 36.255 36.255 33.709 2.546 18487 8715 1 17 . 1 1 88 88 LYS H H 88 9.361 9.361 7.951 1.410 18487 8716 1 17 . 1 1 89 89 ASP N N 89 121.211 121.211 120.448 0.763 18487 8717 1 17 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.702 -0.241 18487 8718 1 17 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.036 -0.141 18487 8719 1 17 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.950 -0.206 18487 8720 1 17 . 1 1 89 89 ASP H H 89 8.454 8.454 8.205 0.249 18487 8721 1 17 . 1 1 90 90 ARG N N 90 124.551 124.551 124.849 -0.298 18487 8722 1 17 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.209 -0.135 18487 8723 1 17 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.218 -0.109 18487 8724 1 17 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.860 0.035 18487 8725 1 17 . 1 1 90 90 ARG H H 90 8.475 8.475 8.731 -0.256 18487 8726 1 17 . 1 1 91 91 MET N N 91 115.821 115.821 116.666 -0.845 18487 8727 1 17 . 1 1 91 91 MET HA H 91 4.424 4.424 4.284 0.140 18487 8728 1 17 . 1 1 91 91 MET CA C 91 55.206 55.206 55.406 -0.200 18487 8729 1 17 . 1 1 91 91 MET CB C 91 31.307 31.307 33.190 -1.883 18487 8730 1 17 . 1 1 91 91 MET H H 91 8.725 8.725 7.883 0.842 18487 8731 1 17 . 1 1 92 92 VAL N N 92 119.922 119.922 119.183 0.739 18487 8732 1 17 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.837 0.269 18487 8733 1 17 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.385 -0.327 18487 8734 1 17 . 1 1 92 92 VAL CB C 92 33.144 33.144 31.712 1.432 18487 8735 1 17 . 1 1 92 92 VAL H H 92 7.348 7.348 7.356 -0.008 18487 8736 1 17 . 1 1 93 93 HIS N N 93 125.619 125.619 124.302 1.317 18487 8737 1 17 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.662 -0.066 18487 8738 1 17 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.228 0.166 18487 8739 1 17 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.412 -0.754 18487 8740 1 17 . 1 1 93 93 HIS H H 93 8.851 8.851 8.111 0.740 18487 8741 1 17 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.399 0.601 18487 8742 1 17 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.676 -0.676 18487 8743 1 17 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.579 0.421 18487 8744 1 17 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.468 0.229 18487 8745 1 17 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.896 0.131 18487 8746 1 17 . 1 1 95 95 ASN CB C 95 37.151 37.151 37.744 -0.593 18487 8747 1 17 . 1 1 96 96 SER N N 96 113.047 113.047 114.840 -1.793 18487 8748 1 17 . 1 1 96 96 SER HA H 96 4.628 4.628 4.467 0.161 18487 8749 1 17 . 1 1 96 96 SER CA C 96 60.183 60.183 61.386 -1.203 18487 8750 1 17 . 1 1 96 96 SER CB C 96 63.901 63.901 64.426 -0.525 18487 8751 1 17 . 1 1 96 96 SER H H 96 8.064 8.064 7.679 0.385 18487 8752 1 17 . 1 1 97 97 ILE N N 97 116.621 116.621 123.078 -6.457 18487 8753 1 17 . 1 1 97 97 ILE HA H 97 4.642 4.642 3.950 0.692 18487 8754 1 17 . 1 1 97 97 ILE CA C 97 62.778 62.778 64.159 -1.381 18487 8755 1 17 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.036 4.391 18487 8756 1 17 . 1 1 97 97 ILE H H 97 7.705 7.705 7.244 0.461 18487 8757 1 17 . 1 1 98 98 LYS N N 98 120.198 120.198 121.143 -0.945 18487 8758 1 17 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.265 -0.008 18487 8759 1 17 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.005 0.708 18487 8760 1 17 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.913 0.060 18487 8761 1 17 . 1 1 98 98 LYS H H 98 9.132 9.132 8.382 0.750 18487 8762 1 17 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.251 0.033 18487 8763 1 17 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.882 0.452 18487 8764 1 17 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.120 -0.720 18487 8765 1 17 . 1 1 100 100 GLU N N 100 117.097 117.097 118.705 -1.608 18487 8766 1 17 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.149 0.003 18487 8767 1 17 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.748 0.071 18487 8768 1 17 . 1 1 100 100 GLU CB C 100 29.416 29.416 29.320 0.097 18487 8769 1 17 . 1 1 100 100 GLU H H 100 7.447 7.447 7.733 -0.286 18487 8770 1 17 . 1 1 101 101 ILE N N 101 118.326 118.326 121.222 -2.896 18487 8771 1 17 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.513 -0.149 18487 8772 1 17 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.600 -2.239 18487 8773 1 17 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.846 -1.997 18487 8774 1 17 . 1 1 101 101 ILE H H 101 7.896 7.896 7.745 0.151 18487 8775 1 17 . 1 1 102 102 ILE N N 102 118.368 118.368 119.569 -1.201 18487 8776 1 17 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.307 0.101 18487 8777 1 17 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.351 0.895 18487 8778 1 17 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.326 -0.086 18487 8779 1 17 . 1 1 102 102 ILE H H 102 8.243 8.243 7.814 0.429 18487 8780 1 17 . 1 1 103 103 ASP N N 103 122.381 122.381 119.940 2.441 18487 8781 1 17 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.294 0.084 18487 8782 1 17 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.703 0.279 18487 8783 1 17 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.819 0.715 18487 8784 1 17 . 1 1 103 103 ASP H H 103 7.900 7.900 7.767 0.133 18487 8785 1 17 . 1 1 104 104 LEU N N 104 119.007 119.007 118.868 0.139 18487 8786 1 17 . 1 1 104 104 LEU HA H 104 3.998 3.998 4.027 -0.029 18487 8787 1 17 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.423 0.316 18487 8788 1 17 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.801 0.341 18487 8789 1 17 . 1 1 104 104 LEU H H 104 8.261 8.261 7.199 1.062 18487 8790 1 17 . 1 1 105 105 LEU N N 105 120.443 120.443 118.834 1.609 18487 8791 1 17 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.053 -0.066 18487 8792 1 17 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.930 -0.429 18487 8793 1 17 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.121 0.966 18487 8794 1 17 . 1 1 105 105 LEU H H 105 9.022 9.022 7.965 1.056 18487 8795 1 17 . 1 1 106 106 THR N N 106 114.821 114.821 114.709 0.112 18487 8796 1 17 . 1 1 106 106 THR HA H 106 3.698 3.698 4.082 -0.384 18487 8797 1 17 . 1 1 106 106 THR CA C 106 67.610 67.610 65.875 1.735 18487 8798 1 17 . 1 1 106 106 THR CB C 106 68.325 68.325 68.737 -0.413 18487 8799 1 17 . 1 1 106 106 THR H H 106 8.273 8.273 7.549 0.724 18487 8800 1 17 . 1 1 107 107 LYS N N 107 120.049 120.049 121.484 -1.435 18487 8801 1 17 . 1 1 107 107 LYS HA H 107 3.907 3.907 4.094 -0.187 18487 8802 1 17 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.411 0.044 18487 8803 1 17 . 1 1 107 107 LYS CB C 107 32.362 32.362 32.593 -0.231 18487 8804 1 17 . 1 1 107 107 LYS H H 107 7.691 7.691 7.644 0.047 18487 8805 1 17 . 1 1 108 108 GLN N N 108 118.375 118.375 118.681 -0.306 18487 8806 1 17 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.253 -0.235 18487 8807 1 17 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.093 -1.110 18487 8808 1 17 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.786 -1.131 18487 8809 1 17 . 1 1 108 108 GLN H H 108 7.888 7.888 8.009 -0.121 18487 8810 1 17 . 1 1 109 109 LEU N N 109 118.066 118.066 116.952 1.114 18487 8811 1 17 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.314 -0.132 18487 8812 1 17 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.611 -0.144 18487 8813 1 17 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.769 0.041 18487 8814 1 17 . 1 1 109 109 LEU H H 109 8.269 8.269 8.012 0.257 18487 8815 1 17 . 1 1 110 110 ALA N N 110 120.909 120.909 118.843 2.066 18487 8816 1 17 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.024 0.008 18487 8817 1 17 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.669 0.571 18487 8818 1 17 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.706 -0.039 18487 8819 1 17 . 1 1 110 110 ALA H H 110 8.171 8.171 7.432 0.739 18487 8820 1 17 . 1 1 111 111 TYR N N 111 114.611 114.611 116.979 -2.368 18487 8821 1 17 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.565 0.077 18487 8822 1 17 . 1 1 111 111 TYR CA C 111 57.927 57.927 59.023 -1.096 18487 8823 1 17 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.337 -0.865 18487 8824 1 17 . 1 1 111 111 TYR H H 111 7.763 7.763 7.717 0.046 18487 8825 1 17 . 1 1 112 112 GLY N N 112 107.916 107.916 106.041 1.875 18487 8826 1 17 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.329 0.879 18487 8827 1 17 . 1 1 112 112 GLY H H 112 7.941 7.941 7.707 0.234 18487 8828 1 17 . 1 1 113 113 GLU N N 113 119.571 119.571 121.766 -2.195 18487 8829 1 17 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.035 0.355 18487 8830 1 17 . 1 1 113 113 GLU CA C 113 56.025 56.025 57.976 -1.951 18487 8831 1 17 . 1 1 113 113 GLU CB C 113 30.403 30.403 29.492 0.911 18487 8832 1 17 . 1 1 113 113 GLU H H 113 8.166 8.166 8.584 -0.418 18487 8833 1 17 . 1 1 114 114 ASP N N 114 121.457 121.457 121.018 0.439 18487 8834 1 17 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.672 -0.047 18487 8835 1 17 . 1 1 114 114 ASP CA C 114 55.075 55.075 55.027 0.048 18487 8836 1 17 . 1 1 114 114 ASP CB C 114 40.997 40.997 39.980 1.016 18487 8837 1 17 . 1 1 114 114 ASP H H 114 8.560 8.560 7.645 0.915 18487 8838 1 17 . 1 1 115 115 VAL N N 115 120.645 120.645 124.246 -3.601 18487 8839 1 17 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.974 0.105 18487 8840 1 17 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.700 -1.182 18487 8841 1 17 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.825 -0.992 18487 8842 1 17 . 1 1 115 115 VAL H H 115 8.659 8.659 8.124 0.535 18487 8843 1 17 . 1 1 116 116 ILE N N 116 120.775 120.775 118.440 2.335 18487 8844 1 17 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.394 0.269 18487 8845 1 17 . 1 1 116 116 ILE CA C 116 59.736 59.736 59.846 -0.110 18487 8846 1 17 . 1 1 116 116 ILE CB C 116 39.798 39.798 36.503 3.295 18487 8847 1 17 . 1 1 116 116 ILE H H 116 7.881 7.881 7.777 0.104 18487 8848 1 17 . 1 1 117 117 SER N N 117 121.192 121.192 121.887 -0.695 18487 8849 1 17 . 1 1 117 117 SER HA H 117 4.641 4.641 4.545 0.096 18487 8850 1 17 . 1 1 117 117 SER CA C 117 57.846 57.846 58.355 -0.509 18487 8851 1 17 . 1 1 117 117 SER CB C 117 63.962 63.962 63.618 0.344 18487 8852 1 17 . 1 1 117 117 SER H H 117 8.767 8.767 8.196 0.571 18487 8853 1 17 . 1 1 118 118 LYS N N 118 124.317 124.317 122.960 1.357 18487 8854 1 17 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.056 0.300 18487 8855 1 17 . 1 1 118 118 LYS CA C 118 56.537 56.537 57.805 -1.268 18487 8856 1 17 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.982 0.068 18487 8857 1 17 . 1 1 118 118 LYS H H 118 8.633 8.633 8.150 0.483 18487 8858 1 18 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.717 -0.037 18487 8859 1 18 . 1 1 11 11 MET N N 11 120.918 120.918 126.677 -5.759 18487 8860 1 18 . 1 1 11 11 MET HA H 11 4.435 4.435 4.500 -0.065 18487 8861 1 18 . 1 1 11 11 MET CA C 11 55.736 55.736 54.696 1.040 18487 8862 1 18 . 1 1 11 11 MET CB C 11 32.501 32.501 30.478 2.023 18487 8863 1 18 . 1 1 11 11 MET H H 11 8.289 8.289 9.044 -0.755 18487 8864 1 18 . 1 1 12 12 ASN N N 12 120.356 120.356 119.873 0.483 18487 8865 1 18 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.703 0.055 18487 8866 1 18 . 1 1 12 12 ASN CA C 12 53.488 53.488 54.215 -0.727 18487 8867 1 18 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.649 -0.073 18487 8868 1 18 . 1 1 12 12 ASN H H 12 8.583 8.583 8.172 0.411 18487 8869 1 18 . 1 1 13 13 SER N N 13 116.582 116.582 116.467 0.115 18487 8870 1 18 . 1 1 13 13 SER HA H 13 4.378 4.378 4.465 -0.087 18487 8871 1 18 . 1 1 13 13 SER CA C 13 58.842 58.842 58.576 0.266 18487 8872 1 18 . 1 1 13 13 SER CB C 13 63.403 63.403 62.140 1.263 18487 8873 1 18 . 1 1 13 13 SER H H 13 8.319 8.319 8.172 0.147 18487 8874 1 18 . 1 1 14 14 GLN N N 14 121.369 121.369 123.810 -2.441 18487 8875 1 18 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.444 -0.126 18487 8876 1 18 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.078 1.021 18487 8877 1 18 . 1 1 14 14 GLN CB C 14 28.944 28.944 30.114 -1.170 18487 8878 1 18 . 1 1 14 14 GLN H H 14 8.365 8.365 7.890 0.475 18487 8879 1 18 . 1 1 15 15 ARG N N 15 121.565 121.565 122.686 -1.121 18487 8880 1 18 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.620 -0.306 18487 8881 1 18 . 1 1 15 15 ARG CA C 15 55.888 55.888 54.620 1.268 18487 8882 1 18 . 1 1 15 15 ARG CB C 15 30.427 30.427 29.469 0.958 18487 8883 1 18 . 1 1 15 15 ARG H H 15 8.084 8.084 8.698 -0.614 18487 8884 1 18 . 1 1 16 16 LEU N N 16 123.810 123.810 121.786 2.024 18487 8885 1 18 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.238 0.105 18487 8886 1 18 . 1 1 16 16 LEU CA C 16 54.640 54.640 54.935 -0.295 18487 8887 1 18 . 1 1 16 16 LEU CB C 16 42.062 42.062 41.869 0.193 18487 8888 1 18 . 1 1 16 16 LEU H H 16 8.254 8.254 8.199 0.055 18487 8889 1 18 . 1 1 17 17 ILE N N 17 122.996 122.996 124.140 -1.144 18487 8890 1 18 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.859 0.295 18487 8891 1 18 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.896 -0.682 18487 8892 1 18 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.651 0.133 18487 8893 1 18 . 1 1 17 17 ILE H H 17 8.006 8.006 7.762 0.244 18487 8894 1 18 . 1 1 18 18 HIS N N 18 126.123 126.123 126.733 -0.610 18487 8895 1 18 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.495 0.350 18487 8896 1 18 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.881 -1.676 18487 8897 1 18 . 1 1 18 18 HIS CB C 18 30.197 30.197 29.181 1.016 18487 8898 1 18 . 1 1 18 18 HIS H H 18 9.025 9.025 8.483 0.542 18487 8899 1 18 . 1 1 19 19 ILE N N 19 124.783 124.783 124.581 0.202 18487 8900 1 18 . 1 1 19 19 ILE HA H 19 4.990 4.990 5.013 -0.023 18487 8901 1 18 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.689 -1.181 18487 8902 1 18 . 1 1 19 19 ILE CB C 19 38.350 38.350 39.479 -1.129 18487 8903 1 18 . 1 1 19 19 ILE H H 19 8.485 8.485 8.467 0.018 18487 8904 1 18 . 1 1 20 20 LYS N N 20 128.184 128.184 128.380 -0.196 18487 8905 1 18 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.670 0.089 18487 8906 1 18 . 1 1 20 20 LYS CA C 20 54.129 54.129 54.599 -0.470 18487 8907 1 18 . 1 1 20 20 LYS CB C 20 35.641 35.641 35.099 0.542 18487 8908 1 18 . 1 1 20 20 LYS H H 20 9.253 9.253 8.718 0.535 18487 8909 1 18 . 1 1 21 21 THR N N 21 114.649 114.649 121.615 -6.966 18487 8910 1 18 . 1 1 21 21 THR HA H 21 4.930 4.930 4.073 0.857 18487 8911 1 18 . 1 1 21 21 THR CA C 21 60.191 60.191 62.445 -2.254 18487 8912 1 18 . 1 1 21 21 THR CB C 21 69.966 69.966 69.003 0.963 18487 8913 1 18 . 1 1 21 21 THR H H 21 8.232 8.232 8.350 -0.118 18487 8914 1 18 . 1 1 22 22 LEU N N 22 125.973 125.973 128.809 -2.836 18487 8915 1 18 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.677 0.002 18487 8916 1 18 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.283 0.470 18487 8917 1 18 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.685 -0.552 18487 8918 1 18 . 1 1 22 22 LEU H H 22 9.156 9.156 8.566 0.590 18487 8919 1 18 . 1 1 23 23 THR N N 23 112.582 112.582 113.368 -0.786 18487 8920 1 18 . 1 1 23 23 THR HA H 23 4.281 4.281 4.340 -0.059 18487 8921 1 18 . 1 1 23 23 THR CA C 23 61.474 61.474 61.418 0.056 18487 8922 1 18 . 1 1 23 23 THR CB C 23 69.759 69.759 69.622 0.137 18487 8923 1 18 . 1 1 23 23 THR H H 23 7.912 7.912 8.306 -0.394 18487 8924 1 18 . 1 1 24 24 THR N N 24 112.952 112.952 114.802 -1.850 18487 8925 1 18 . 1 1 24 24 THR HA H 24 5.040 5.040 4.822 0.218 18487 8926 1 18 . 1 1 24 24 THR CA C 24 60.000 60.000 58.177 1.823 18487 8927 1 18 . 1 1 24 24 THR CB C 24 69.872 69.872 70.132 -0.260 18487 8928 1 18 . 1 1 24 24 THR H H 24 8.793 8.793 8.082 0.711 18487 8929 1 18 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.362 0.083 18487 8930 1 18 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.863 0.459 18487 8931 1 18 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.805 -0.225 18487 8932 1 18 . 1 1 26 26 ASN N N 26 115.534 115.534 118.938 -3.404 18487 8933 1 18 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.750 0.185 18487 8934 1 18 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.630 -1.593 18487 8935 1 18 . 1 1 26 26 ASN CB C 26 39.722 39.722 38.582 1.140 18487 8936 1 18 . 1 1 26 26 ASN H H 26 7.774 7.774 8.127 -0.353 18487 8937 1 18 . 1 1 27 27 GLU N N 27 127.099 127.099 123.364 3.735 18487 8938 1 18 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.374 0.036 18487 8939 1 18 . 1 1 27 27 GLU CA C 27 58.958 58.958 56.970 1.988 18487 8940 1 18 . 1 1 27 27 GLU CB C 27 29.105 29.105 30.125 -1.020 18487 8941 1 18 . 1 1 27 27 GLU H H 27 9.428 9.428 8.662 0.766 18487 8942 1 18 . 1 1 28 28 ASN N N 28 115.176 115.176 115.487 -0.311 18487 8943 1 18 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.817 0.169 18487 8944 1 18 . 1 1 28 28 ASN CA C 28 53.784 53.784 54.280 -0.496 18487 8945 1 18 . 1 1 28 28 ASN CB C 28 38.545 38.545 37.571 0.974 18487 8946 1 18 . 1 1 28 28 ASN H H 28 8.591 8.591 8.891 -0.300 18487 8947 1 18 . 1 1 29 29 ALA N N 29 123.317 123.317 119.865 3.452 18487 8948 1 18 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.711 0.665 18487 8949 1 18 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.965 0.345 18487 8950 1 18 . 1 1 29 29 ALA CB C 29 22.158 22.158 22.433 -0.275 18487 8951 1 18 . 1 1 29 29 ALA H H 29 8.210 8.210 7.620 0.590 18487 8952 1 18 . 1 1 30 30 LEU N N 30 124.426 124.426 125.789 -1.363 18487 8953 1 18 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.475 0.033 18487 8954 1 18 . 1 1 30 30 LEU CA C 30 53.660 53.660 53.867 -0.207 18487 8955 1 18 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.283 0.268 18487 8956 1 18 . 1 1 30 30 LEU H H 30 8.550 8.550 8.547 0.003 18487 8957 1 18 . 1 1 31 31 LYS N N 31 123.555 123.555 127.265 -3.710 18487 8958 1 18 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.657 0.482 18487 8959 1 18 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.745 -0.661 18487 8960 1 18 . 1 1 31 31 LYS CB C 31 35.171 35.171 32.566 2.605 18487 8961 1 18 . 1 1 31 31 LYS H H 31 8.169 8.169 8.386 -0.217 18487 8962 1 18 . 1 1 32 32 PHE N N 32 124.529 124.529 126.340 -1.811 18487 8963 1 18 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.896 0.079 18487 8964 1 18 . 1 1 32 32 PHE CA C 32 56.474 56.474 57.582 -1.108 18487 8965 1 18 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.016 0.061 18487 8966 1 18 . 1 1 32 32 PHE H H 32 9.634 9.634 9.201 0.433 18487 8967 1 18 . 1 1 33 33 LEU N N 33 122.712 122.712 127.417 -4.705 18487 8968 1 18 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.924 0.140 18487 8969 1 18 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.049 1.338 18487 8970 1 18 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.398 0.428 18487 8971 1 18 . 1 1 33 33 LEU H H 33 9.174 9.174 8.850 0.324 18487 8972 1 18 . 1 1 34 34 SER N N 34 117.120 117.120 122.373 -5.253 18487 8973 1 18 . 1 1 34 34 SER HA H 34 5.116 5.116 4.661 0.455 18487 8974 1 18 . 1 1 34 34 SER CA C 34 56.626 56.626 58.315 -1.689 18487 8975 1 18 . 1 1 34 34 SER CB C 34 64.053 64.053 62.717 1.336 18487 8976 1 18 . 1 1 34 34 SER H H 34 8.979 8.979 8.318 0.661 18487 8977 1 18 . 1 1 35 35 THR N N 35 117.097 117.097 121.386 -4.289 18487 8978 1 18 . 1 1 35 35 THR HA H 35 4.460 4.460 4.176 0.284 18487 8979 1 18 . 1 1 35 35 THR CA C 35 62.944 62.944 65.009 -2.065 18487 8980 1 18 . 1 1 35 35 THR CB C 35 69.779 69.779 68.868 0.911 18487 8981 1 18 . 1 1 35 35 THR H H 35 8.646 8.646 8.633 0.013 18487 8982 1 18 . 1 1 36 36 ASP N N 36 120.039 120.039 121.620 -1.581 18487 8983 1 18 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.482 0.373 18487 8984 1 18 . 1 1 36 36 ASP CA C 36 54.741 54.741 56.162 -1.421 18487 8985 1 18 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.293 0.226 18487 8986 1 18 . 1 1 36 36 ASP H H 36 8.711 8.711 8.076 0.635 18487 8987 1 18 . 1 1 37 37 GLY N N 37 107.015 107.015 104.457 2.558 18487 8988 1 18 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.987 0.642 18487 8989 1 18 . 1 1 37 37 GLY H H 37 8.020 8.020 8.378 -0.358 18487 8990 1 18 . 1 1 38 38 GLU N N 38 120.021 120.021 120.279 -0.258 18487 8991 1 18 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.195 0.083 18487 8992 1 18 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.209 0.934 18487 8993 1 18 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.190 -0.873 18487 8994 1 18 . 1 1 38 38 GLU H H 38 8.101 8.101 8.155 -0.054 18487 8995 1 18 . 1 1 39 39 MET N N 39 121.372 121.372 120.445 0.927 18487 8996 1 18 . 1 1 39 39 MET HA H 39 4.799 4.799 4.628 0.171 18487 8997 1 18 . 1 1 39 39 MET CA C 39 54.229 54.229 54.900 -0.671 18487 8998 1 18 . 1 1 39 39 MET CB C 39 33.392 33.392 34.688 -1.296 18487 8999 1 18 . 1 1 39 39 MET H H 39 8.571 8.571 8.213 0.358 18487 9000 1 18 . 1 1 40 40 LEU N N 40 121.913 121.913 123.598 -1.685 18487 9001 1 18 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.582 -0.323 18487 9002 1 18 . 1 1 40 40 LEU CA C 40 57.144 57.144 55.155 1.989 18487 9003 1 18 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.948 -0.522 18487 9004 1 18 . 1 1 40 40 LEU H H 40 8.572 8.572 8.260 0.312 18487 9005 1 18 . 1 1 41 41 GLN N N 41 114.647 114.647 118.132 -3.485 18487 9006 1 18 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.488 0.180 18487 9007 1 18 . 1 1 41 41 GLN CA C 41 54.397 54.397 53.964 0.433 18487 9008 1 18 . 1 1 41 41 GLN CB C 41 35.290 35.290 30.977 4.314 18487 9009 1 18 . 1 1 41 41 GLN H H 41 8.420 8.420 7.430 0.990 18487 9010 1 18 . 1 1 42 42 THR N N 42 111.706 111.706 123.255 -11.549 18487 9011 1 18 . 1 1 42 42 THR HA H 42 4.038 4.038 4.238 -0.200 18487 9012 1 18 . 1 1 42 42 THR CA C 42 63.082 63.082 63.564 -0.482 18487 9013 1 18 . 1 1 42 42 THR CB C 42 69.264 69.264 69.367 -0.103 18487 9014 1 18 . 1 1 42 42 THR H H 42 8.205 8.205 8.612 -0.407 18487 9015 1 18 . 1 1 43 43 ARG N N 43 126.367 126.367 126.318 0.049 18487 9016 1 18 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.376 -0.227 18487 9017 1 18 . 1 1 43 43 ARG CA C 43 57.433 57.433 58.096 -0.664 18487 9018 1 18 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.326 -1.399 18487 9019 1 18 . 1 1 43 43 ARG H H 43 8.885 8.885 8.337 0.548 18487 9020 1 18 . 1 1 44 44 GLY N N 44 116.299 116.299 106.182 10.117 18487 9021 1 18 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.571 0.305 18487 9022 1 18 . 1 1 44 44 GLY H H 44 9.999 9.999 8.198 1.801 18487 9023 1 18 . 1 1 45 45 SER N N 45 117.374 117.374 114.380 2.994 18487 9024 1 18 . 1 1 45 45 SER HA H 45 4.316 4.316 4.815 -0.499 18487 9025 1 18 . 1 1 45 45 SER CA C 45 59.967 59.967 57.216 2.751 18487 9026 1 18 . 1 1 45 45 SER CB C 45 63.866 63.866 64.748 -0.882 18487 9027 1 18 . 1 1 45 45 SER H H 45 8.034 8.034 7.583 0.451 18487 9028 1 18 . 1 1 46 46 LYS N N 46 124.024 124.024 122.234 1.790 18487 9029 1 18 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.429 -0.172 18487 9030 1 18 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.473 0.829 18487 9031 1 18 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.129 -0.452 18487 9032 1 18 . 1 1 46 46 LYS H H 46 8.560 8.560 8.380 0.180 18487 9033 1 18 . 1 1 47 47 SER N N 47 119.851 119.851 117.467 2.384 18487 9034 1 18 . 1 1 47 47 SER HA H 47 4.824 4.824 4.505 0.319 18487 9035 1 18 . 1 1 47 47 SER CA C 47 57.920 57.920 58.823 -0.903 18487 9036 1 18 . 1 1 47 47 SER CB C 47 63.770 63.770 63.046 0.724 18487 9037 1 18 . 1 1 47 47 SER H H 47 8.663 8.663 8.401 0.262 18487 9038 1 18 . 1 1 48 48 ILE N N 48 124.054 124.054 127.670 -3.616 18487 9039 1 18 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.983 0.374 18487 9040 1 18 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.530 -1.418 18487 9041 1 18 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.408 3.689 18487 9042 1 18 . 1 1 48 48 ILE H H 48 8.619 8.619 7.913 0.706 18487 9043 1 18 . 1 1 49 49 VAL N N 49 128.260 128.260 129.323 -1.063 18487 9044 1 18 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.494 0.238 18487 9045 1 18 . 1 1 49 49 VAL CA C 49 62.012 62.012 61.675 0.337 18487 9046 1 18 . 1 1 49 49 VAL CB C 49 32.611 32.611 30.960 1.651 18487 9047 1 18 . 1 1 49 49 VAL H H 49 8.498 8.498 8.272 0.226 18487 9048 1 18 . 1 1 50 50 ILE N N 50 127.715 127.715 130.127 -2.412 18487 9049 1 18 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.290 0.213 18487 9050 1 18 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.672 0.818 18487 9051 1 18 . 1 1 50 50 ILE CB C 50 40.463 40.463 37.686 2.777 18487 9052 1 18 . 1 1 50 50 ILE H H 50 9.236 9.236 8.214 1.022 18487 9053 1 18 . 1 1 51 51 LYS N N 51 127.422 127.422 128.281 -0.859 18487 9054 1 18 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.639 0.021 18487 9055 1 18 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.844 -0.294 18487 9056 1 18 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.490 0.453 18487 9057 1 18 . 1 1 51 51 LYS H H 51 9.673 9.673 8.570 1.103 18487 9058 1 18 . 1 1 52 52 ASN N N 52 117.981 117.981 123.031 -5.050 18487 9059 1 18 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.805 -1.057 18487 9060 1 18 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.983 0.184 18487 9061 1 18 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.571 -1.188 18487 9062 1 18 . 1 1 52 52 ASN H H 52 8.119 8.119 8.723 -0.604 18487 9063 1 18 . 1 1 53 53 THR N N 53 105.425 105.425 111.826 -6.401 18487 9064 1 18 . 1 1 53 53 THR HA H 53 4.218 4.218 4.150 0.068 18487 9065 1 18 . 1 1 53 53 THR CA C 53 60.619 60.619 63.413 -2.794 18487 9066 1 18 . 1 1 53 53 THR CB C 53 69.221 69.221 68.978 0.243 18487 9067 1 18 . 1 1 53 53 THR H H 53 6.908 6.908 8.089 -1.181 18487 9068 1 18 . 1 1 54 54 ASP N N 54 125.547 125.547 122.140 3.407 18487 9069 1 18 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.822 0.144 18487 9070 1 18 . 1 1 54 54 ASP CA C 54 53.513 53.513 52.273 1.240 18487 9071 1 18 . 1 1 54 54 ASP CB C 54 39.956 39.956 41.048 -1.092 18487 9072 1 18 . 1 1 54 54 ASP H H 54 7.811 7.811 7.467 0.344 18487 9073 1 18 . 1 1 55 55 GLU N N 55 123.946 123.946 126.023 -2.077 18487 9074 1 18 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.847 -0.024 18487 9075 1 18 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.430 0.694 18487 9076 1 18 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.585 0.347 18487 9077 1 18 . 1 1 55 55 GLU H H 55 7.919 7.919 8.374 -0.455 18487 9078 1 18 . 1 1 56 56 ASN N N 56 115.295 115.295 116.541 -1.246 18487 9079 1 18 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.308 0.246 18487 9080 1 18 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.352 0.756 18487 9081 1 18 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.202 1.065 18487 9082 1 18 . 1 1 56 56 ASN H H 56 8.728 8.728 8.482 0.246 18487 9083 1 18 . 1 1 57 57 LEU N N 57 120.223 120.223 120.189 0.034 18487 9084 1 18 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.088 0.147 18487 9085 1 18 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.266 0.323 18487 9086 1 18 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.669 1.243 18487 9087 1 18 . 1 1 57 57 LEU H H 57 7.621 7.621 7.539 0.082 18487 9088 1 18 . 1 1 58 58 ILE N N 58 120.489 120.489 118.778 1.711 18487 9089 1 18 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.822 -0.286 18487 9090 1 18 . 1 1 58 58 ILE CA C 58 66.339 66.339 63.940 2.399 18487 9091 1 18 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.814 0.579 18487 9092 1 18 . 1 1 58 58 ILE H H 58 8.461 8.461 7.198 1.263 18487 9093 1 18 . 1 1 59 59 ASN N N 59 114.873 114.873 116.487 -1.614 18487 9094 1 18 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.413 0.065 18487 9095 1 18 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.727 -0.772 18487 9096 1 18 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.208 -0.173 18487 9097 1 18 . 1 1 59 59 ASN H H 59 7.958 7.958 8.110 -0.152 18487 9098 1 18 . 1 1 60 60 HIS N N 60 115.059 115.059 115.848 -0.789 18487 9099 1 18 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.538 0.230 18487 9100 1 18 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.003 -0.666 18487 9101 1 18 . 1 1 60 60 HIS CB C 60 29.816 29.816 31.002 -1.186 18487 9102 1 18 . 1 1 60 60 HIS H H 60 7.633 7.633 7.394 0.239 18487 9103 1 18 . 1 1 61 61 SER N N 61 115.447 115.447 115.389 0.058 18487 9104 1 18 . 1 1 61 61 SER HA H 61 5.135 5.135 4.614 0.521 18487 9105 1 18 . 1 1 61 61 SER CA C 61 56.072 56.072 58.211 -2.139 18487 9106 1 18 . 1 1 61 61 SER CB C 61 63.806 63.806 63.333 0.473 18487 9107 1 18 . 1 1 61 61 SER H H 61 7.849 7.849 7.869 -0.020 18487 9108 1 18 . 1 1 62 62 LYS N N 62 132.090 132.090 129.400 2.690 18487 9109 1 18 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.202 -0.158 18487 9110 1 18 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.845 -0.300 18487 9111 1 18 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.405 -0.866 18487 9112 1 18 . 1 1 62 62 LYS H H 62 9.021 9.021 8.668 0.353 18487 9113 1 18 . 1 1 63 63 LEU N N 63 118.793 118.793 118.956 -0.163 18487 9114 1 18 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.066 0.060 18487 9115 1 18 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.834 -0.184 18487 9116 1 18 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.528 0.251 18487 9117 1 18 . 1 1 63 63 LEU H H 63 8.567 8.567 8.385 0.182 18487 9118 1 18 . 1 1 64 64 ALA N N 64 118.752 118.752 120.176 -1.424 18487 9119 1 18 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.792 -0.172 18487 9120 1 18 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.010 0.048 18487 9121 1 18 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.385 0.200 18487 9122 1 18 . 1 1 64 64 ALA H H 64 7.645 7.645 7.454 0.191 18487 9123 1 18 . 1 1 65 65 GLN N N 65 115.176 115.176 118.010 -2.834 18487 9124 1 18 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.908 0.038 18487 9125 1 18 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.119 0.138 18487 9126 1 18 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.499 0.101 18487 9127 1 18 . 1 1 65 65 GLN H H 65 8.539 8.539 7.925 0.614 18487 9128 1 18 . 1 1 66 66 GLN N N 66 115.801 115.801 118.515 -2.714 18487 9129 1 18 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.084 -0.018 18487 9130 1 18 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.480 0.080 18487 9131 1 18 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.406 1.091 18487 9132 1 18 . 1 1 66 66 GLN H H 66 8.125 8.125 7.667 0.458 18487 9133 1 18 . 1 1 67 67 ILE N N 67 119.874 119.874 119.590 0.284 18487 9134 1 18 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.615 -0.278 18487 9135 1 18 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.132 0.911 18487 9136 1 18 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.696 -0.777 18487 9137 1 18 . 1 1 67 67 ILE H H 67 8.281 8.281 7.856 0.425 18487 9138 1 18 . 1 1 68 68 PHE N N 68 114.873 114.873 117.695 -2.822 18487 9139 1 18 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.511 -0.016 18487 9140 1 18 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.682 0.009 18487 9141 1 18 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.306 -0.658 18487 9142 1 18 . 1 1 68 68 PHE H H 68 8.255 8.255 7.908 0.347 18487 9143 1 18 . 1 1 69 69 LEU N N 69 117.763 117.763 120.852 -3.089 18487 9144 1 18 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.064 0.231 18487 9145 1 18 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.892 -0.556 18487 9146 1 18 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.043 1.085 18487 9147 1 18 . 1 1 69 69 LEU H H 69 7.747 7.747 7.863 -0.116 18487 9148 1 18 . 1 1 70 70 GLN N N 70 115.040 115.040 115.999 -0.959 18487 9149 1 18 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.212 0.100 18487 9150 1 18 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.928 -0.698 18487 9151 1 18 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.134 -0.112 18487 9152 1 18 . 1 1 70 70 GLN H H 70 8.308 8.308 8.135 0.173 18487 9153 1 18 . 1 1 71 71 CYS N N 71 115.881 115.881 118.425 -2.544 18487 9154 1 18 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.926 0.032 18487 9155 1 18 . 1 1 71 71 CYS CA C 71 55.401 55.401 56.007 -0.606 18487 9156 1 18 . 1 1 71 71 CYS CB C 71 28.735 28.735 28.462 0.273 18487 9157 1 18 . 1 1 71 71 CYS H H 71 8.242 8.242 7.816 0.426 18487 9158 1 18 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.646 -0.083 18487 9159 1 18 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.775 0.234 18487 9160 1 18 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.219 -0.808 18487 9161 1 18 . 1 1 73 73 GLY N N 73 106.975 106.975 105.663 1.312 18487 9162 1 18 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.515 0.763 18487 9163 1 18 . 1 1 73 73 GLY H H 73 8.657 8.657 8.339 0.318 18487 9164 1 18 . 1 1 74 74 VAL N N 74 119.448 119.448 120.837 -1.389 18487 9165 1 18 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.899 0.081 18487 9166 1 18 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.880 0.921 18487 9167 1 18 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.185 0.315 18487 9168 1 18 . 1 1 74 74 VAL H H 74 7.747 7.747 7.363 0.384 18487 9169 1 18 . 1 1 75 75 GLU N N 75 129.063 129.063 125.908 3.155 18487 9170 1 18 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.414 0.053 18487 9171 1 18 . 1 1 75 75 GLU CA C 75 58.030 58.030 57.930 0.100 18487 9172 1 18 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.367 0.244 18487 9173 1 18 . 1 1 75 75 GLU H H 75 8.994 8.994 8.575 0.419 18487 9174 1 18 . 1 1 76 76 SER N N 76 110.068 110.068 110.636 -0.568 18487 9175 1 18 . 1 1 76 76 SER HA H 76 5.283 5.283 5.767 -0.484 18487 9176 1 18 . 1 1 76 76 SER CA C 76 57.395 57.395 57.643 -0.248 18487 9177 1 18 . 1 1 76 76 SER CB C 76 65.281 65.281 66.675 -1.394 18487 9178 1 18 . 1 1 76 76 SER H H 76 8.306 8.306 8.383 -0.077 18487 9179 1 18 . 1 1 77 77 LEU N N 77 117.334 117.334 120.171 -2.837 18487 9180 1 18 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.143 0.258 18487 9181 1 18 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.410 0.171 18487 9182 1 18 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.136 1.037 18487 9183 1 18 . 1 1 77 77 LEU H H 77 9.250 9.250 8.855 0.395 18487 9184 1 18 . 1 1 78 78 MET N N 78 121.119 121.119 120.242 0.877 18487 9185 1 18 . 1 1 78 78 MET HA H 78 5.367 5.367 5.021 0.346 18487 9186 1 18 . 1 1 78 78 MET CA C 78 53.966 53.966 54.471 -0.505 18487 9187 1 18 . 1 1 78 78 MET CB C 78 36.374 36.374 35.421 0.953 18487 9188 1 18 . 1 1 78 78 MET H H 78 9.333 9.333 8.221 1.112 18487 9189 1 18 . 1 1 79 79 ILE N N 79 127.512 127.512 127.259 0.253 18487 9190 1 18 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.229 -0.237 18487 9191 1 18 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.479 2.147 18487 9192 1 18 . 1 1 79 79 ILE CB C 79 38.387 38.387 35.787 2.600 18487 9193 1 18 . 1 1 79 79 ILE H H 79 9.396 9.396 8.454 0.942 18487 9194 1 18 . 1 1 80 80 GLY N N 80 117.437 117.437 113.224 4.213 18487 9195 1 18 . 1 1 80 80 GLY CA C 80 43.610 43.610 42.422 1.188 18487 9196 1 18 . 1 1 80 80 GLY H H 80 7.916 7.916 7.556 0.360 18487 9197 1 18 . 1 1 81 81 ASP N N 81 118.860 118.860 118.816 0.044 18487 9198 1 18 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.400 0.273 18487 9199 1 18 . 1 1 81 81 ASP CA C 81 55.034 55.034 58.331 -3.297 18487 9200 1 18 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.970 -1.296 18487 9201 1 18 . 1 1 81 81 ASP H H 81 7.983 7.983 8.482 -0.499 18487 9202 1 18 . 1 1 82 82 ASP N N 82 118.682 118.682 113.508 5.174 18487 9203 1 18 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.655 0.164 18487 9204 1 18 . 1 1 82 82 ASP CA C 82 52.138 52.138 54.416 -2.278 18487 9205 1 18 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.750 -0.756 18487 9206 1 18 . 1 1 82 82 ASP H H 82 9.164 9.164 8.874 0.290 18487 9207 1 18 . 1 1 83 83 PHE N N 83 110.898 110.898 114.519 -3.621 18487 9208 1 18 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.662 0.188 18487 9209 1 18 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.182 -0.217 18487 9210 1 18 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.992 0.754 18487 9211 1 18 . 1 1 83 83 PHE H H 83 6.887 6.887 7.109 -0.222 18487 9212 1 18 . 1 1 84 84 LEU N N 84 121.119 121.119 121.819 -0.700 18487 9213 1 18 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.138 0.095 18487 9214 1 18 . 1 1 84 84 LEU CA C 84 52.966 52.966 54.119 -1.153 18487 9215 1 18 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.623 1.785 18487 9216 1 18 . 1 1 84 84 LEU H H 84 9.118 9.118 8.922 0.196 18487 9217 1 18 . 1 1 85 85 THR N N 85 125.430 125.430 125.763 -0.333 18487 9218 1 18 . 1 1 85 85 THR HA H 85 5.639 5.639 5.046 0.593 18487 9219 1 18 . 1 1 85 85 THR CA C 85 61.743 61.743 62.366 -0.623 18487 9220 1 18 . 1 1 85 85 THR CB C 85 69.835 69.835 69.243 0.591 18487 9221 1 18 . 1 1 85 85 THR H H 85 9.780 9.780 8.686 1.094 18487 9222 1 18 . 1 1 86 86 ILE N N 86 126.778 126.778 128.865 -2.087 18487 9223 1 18 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.262 0.449 18487 9224 1 18 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.712 -2.007 18487 9225 1 18 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.053 2.291 18487 9226 1 18 . 1 1 86 86 ILE H H 86 9.151 9.151 8.657 0.494 18487 9227 1 18 . 1 1 87 87 ASN N N 87 124.785 124.785 127.294 -2.509 18487 9228 1 18 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.922 0.104 18487 9229 1 18 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.511 -0.479 18487 9230 1 18 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.173 -1.494 18487 9231 1 18 . 1 1 87 87 ASN H H 87 8.680 8.680 8.973 -0.293 18487 9232 1 18 . 1 1 88 88 LYS N N 88 122.617 122.617 123.092 -0.475 18487 9233 1 18 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.678 0.561 18487 9234 1 18 . 1 1 88 88 LYS CA C 88 53.514 53.514 54.148 -0.634 18487 9235 1 18 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.704 1.551 18487 9236 1 18 . 1 1 88 88 LYS H H 88 9.361 9.361 8.314 1.047 18487 9237 1 18 . 1 1 89 89 ASP N N 89 121.211 121.211 120.540 0.671 18487 9238 1 18 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.715 -0.254 18487 9239 1 18 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.283 0.612 18487 9240 1 18 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.806 -1.062 18487 9241 1 18 . 1 1 89 89 ASP H H 89 8.454 8.454 8.337 0.117 18487 9242 1 18 . 1 1 90 90 ARG N N 90 124.551 124.551 124.288 0.263 18487 9243 1 18 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.164 -0.090 18487 9244 1 18 . 1 1 90 90 ARG CA C 90 58.109 58.109 57.472 0.637 18487 9245 1 18 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.187 0.708 18487 9246 1 18 . 1 1 90 90 ARG H H 90 8.475 8.475 8.545 -0.070 18487 9247 1 18 . 1 1 91 91 MET N N 91 115.821 115.821 117.338 -1.517 18487 9248 1 18 . 1 1 91 91 MET HA H 91 4.424 4.424 4.440 -0.016 18487 9249 1 18 . 1 1 91 91 MET CA C 91 55.206 55.206 57.167 -1.961 18487 9250 1 18 . 1 1 91 91 MET CB C 91 31.307 31.307 33.323 -2.016 18487 9251 1 18 . 1 1 91 91 MET H H 91 8.725 8.725 7.943 0.782 18487 9252 1 18 . 1 1 92 92 VAL N N 92 119.922 119.922 119.621 0.301 18487 9253 1 18 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.225 -0.119 18487 9254 1 18 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.248 -0.191 18487 9255 1 18 . 1 1 92 92 VAL CB C 92 33.144 33.144 33.191 -0.048 18487 9256 1 18 . 1 1 92 92 VAL H H 92 7.348 7.348 7.302 0.046 18487 9257 1 18 . 1 1 93 93 HIS N N 93 125.619 125.619 123.396 2.223 18487 9258 1 18 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.434 0.162 18487 9259 1 18 . 1 1 93 93 HIS CA C 93 55.394 55.394 57.103 -1.709 18487 9260 1 18 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.755 -0.097 18487 9261 1 18 . 1 1 93 93 HIS H H 93 8.851 8.851 8.479 0.372 18487 9262 1 18 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.428 0.573 18487 9263 1 18 . 1 1 94 94 TRP CA C 94 60.000 60.000 59.892 0.108 18487 9264 1 18 . 1 1 94 94 TRP CB C 94 30.000 30.000 30.232 -0.232 18487 9265 1 18 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.579 0.118 18487 9266 1 18 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.892 0.135 18487 9267 1 18 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.257 -1.106 18487 9268 1 18 . 1 1 96 96 SER N N 96 113.047 113.047 115.629 -2.582 18487 9269 1 18 . 1 1 96 96 SER HA H 96 4.628 4.628 4.398 0.230 18487 9270 1 18 . 1 1 96 96 SER CA C 96 60.183 60.183 61.105 -0.922 18487 9271 1 18 . 1 1 96 96 SER CB C 96 63.901 63.901 63.441 0.459 18487 9272 1 18 . 1 1 96 96 SER H H 96 8.064 8.064 8.587 -0.523 18487 9273 1 18 . 1 1 97 97 ILE N N 97 116.621 116.621 121.944 -5.323 18487 9274 1 18 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.007 0.635 18487 9275 1 18 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.389 -0.611 18487 9276 1 18 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.017 4.410 18487 9277 1 18 . 1 1 97 97 ILE H H 97 7.705 7.705 7.531 0.174 18487 9278 1 18 . 1 1 98 98 LYS N N 98 120.198 120.198 121.409 -1.211 18487 9279 1 18 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.324 -0.067 18487 9280 1 18 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.077 0.636 18487 9281 1 18 . 1 1 98 98 LYS CB C 98 30.973 30.973 31.032 -0.059 18487 9282 1 18 . 1 1 98 98 LYS H H 98 9.132 9.132 8.167 0.965 18487 9283 1 18 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.353 -0.069 18487 9284 1 18 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.880 0.454 18487 9285 1 18 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.026 -0.625 18487 9286 1 18 . 1 1 100 100 GLU N N 100 117.097 117.097 118.797 -1.700 18487 9287 1 18 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.061 0.091 18487 9288 1 18 . 1 1 100 100 GLU CA C 100 58.819 58.819 59.290 -0.471 18487 9289 1 18 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.864 0.552 18487 9290 1 18 . 1 1 100 100 GLU H H 100 7.447 7.447 7.626 -0.179 18487 9291 1 18 . 1 1 101 101 ILE N N 101 118.326 118.326 120.588 -2.262 18487 9292 1 18 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.425 -0.061 18487 9293 1 18 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.646 -2.285 18487 9294 1 18 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.455 -1.606 18487 9295 1 18 . 1 1 101 101 ILE H H 101 7.896 7.896 7.658 0.238 18487 9296 1 18 . 1 1 102 102 ILE N N 102 118.368 118.368 119.361 -0.993 18487 9297 1 18 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.498 -0.090 18487 9298 1 18 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.550 0.696 18487 9299 1 18 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.422 -0.181 18487 9300 1 18 . 1 1 102 102 ILE H H 102 8.243 8.243 8.094 0.149 18487 9301 1 18 . 1 1 103 103 ASP N N 103 122.381 122.381 120.482 1.899 18487 9302 1 18 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.266 0.112 18487 9303 1 18 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.822 0.160 18487 9304 1 18 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.931 0.604 18487 9305 1 18 . 1 1 103 103 ASP H H 103 7.900 7.900 7.795 0.105 18487 9306 1 18 . 1 1 104 104 LEU N N 104 119.007 119.007 119.572 -0.565 18487 9307 1 18 . 1 1 104 104 LEU HA H 104 3.998 3.998 4.001 -0.003 18487 9308 1 18 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.836 -0.097 18487 9309 1 18 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.791 0.351 18487 9310 1 18 . 1 1 104 104 LEU H H 104 8.261 8.261 8.011 0.250 18487 9311 1 18 . 1 1 105 105 LEU N N 105 120.443 120.443 118.880 1.563 18487 9312 1 18 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.223 -0.236 18487 9313 1 18 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.804 -0.303 18487 9314 1 18 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.316 0.771 18487 9315 1 18 . 1 1 105 105 LEU H H 105 9.022 9.022 8.300 0.722 18487 9316 1 18 . 1 1 106 106 THR N N 106 114.821 114.821 115.114 -0.293 18487 9317 1 18 . 1 1 106 106 THR HA H 106 3.698 3.698 3.913 -0.215 18487 9318 1 18 . 1 1 106 106 THR CA C 106 67.610 67.610 66.954 0.656 18487 9319 1 18 . 1 1 106 106 THR CB C 106 68.325 68.325 68.635 -0.310 18487 9320 1 18 . 1 1 106 106 THR H H 106 8.273 8.273 7.275 0.998 18487 9321 1 18 . 1 1 107 107 LYS N N 107 120.049 120.049 120.781 -0.732 18487 9322 1 18 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.817 0.090 18487 9323 1 18 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.989 0.466 18487 9324 1 18 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.732 0.630 18487 9325 1 18 . 1 1 107 107 LYS H H 107 7.691 7.691 8.025 -0.334 18487 9326 1 18 . 1 1 108 108 GLN N N 108 118.375 118.375 118.919 -0.544 18487 9327 1 18 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.191 -0.173 18487 9328 1 18 . 1 1 108 108 GLN CA C 108 57.983 57.983 59.055 -1.072 18487 9329 1 18 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.661 -1.006 18487 9330 1 18 . 1 1 108 108 GLN H H 108 7.888 7.888 7.775 0.113 18487 9331 1 18 . 1 1 109 109 LEU N N 109 118.066 118.066 117.620 0.446 18487 9332 1 18 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.531 -0.349 18487 9333 1 18 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.093 0.374 18487 9334 1 18 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.751 0.059 18487 9335 1 18 . 1 1 109 109 LEU H H 109 8.269 8.269 7.604 0.665 18487 9336 1 18 . 1 1 110 110 ALA N N 110 120.909 120.909 120.055 0.854 18487 9337 1 18 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.031 0.001 18487 9338 1 18 . 1 1 110 110 ALA CA C 110 54.240 54.240 53.907 0.334 18487 9339 1 18 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.476 0.191 18487 9340 1 18 . 1 1 110 110 ALA H H 110 8.171 8.171 7.565 0.606 18487 9341 1 18 . 1 1 111 111 TYR N N 111 114.611 114.611 117.540 -2.929 18487 9342 1 18 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.601 0.041 18487 9343 1 18 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.934 -1.007 18487 9344 1 18 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.385 -0.913 18487 9345 1 18 . 1 1 111 111 TYR H H 111 7.763 7.763 7.572 0.191 18487 9346 1 18 . 1 1 112 112 GLY N N 112 107.916 107.916 105.418 2.498 18487 9347 1 18 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.207 1.001 18487 9348 1 18 . 1 1 112 112 GLY H H 112 7.941 7.941 7.798 0.143 18487 9349 1 18 . 1 1 113 113 GLU N N 113 119.571 119.571 120.115 -0.544 18487 9350 1 18 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.023 0.367 18487 9351 1 18 . 1 1 113 113 GLU CA C 113 56.025 56.025 58.092 -2.067 18487 9352 1 18 . 1 1 113 113 GLU CB C 113 30.403 30.403 29.894 0.509 18487 9353 1 18 . 1 1 113 113 GLU H H 113 8.166 8.166 8.725 -0.559 18487 9354 1 18 . 1 1 114 114 ASP N N 114 121.457 121.457 116.638 4.819 18487 9355 1 18 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.530 0.095 18487 9356 1 18 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.430 0.645 18487 9357 1 18 . 1 1 114 114 ASP CB C 114 40.997 40.997 40.735 0.262 18487 9358 1 18 . 1 1 114 114 ASP H H 114 8.560 8.560 7.746 0.814 18487 9359 1 18 . 1 1 115 115 VAL N N 115 120.645 120.645 119.621 1.024 18487 9360 1 18 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.021 0.058 18487 9361 1 18 . 1 1 115 115 VAL CA C 115 63.518 63.518 63.897 -0.378 18487 9362 1 18 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.645 -0.812 18487 9363 1 18 . 1 1 115 115 VAL H H 115 8.659 8.659 8.467 0.192 18487 9364 1 18 . 1 1 116 116 ILE N N 116 120.775 120.775 115.983 4.792 18487 9365 1 18 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.382 0.281 18487 9366 1 18 . 1 1 116 116 ILE CA C 116 59.736 59.736 60.217 -0.481 18487 9367 1 18 . 1 1 116 116 ILE CB C 116 39.798 39.798 38.506 1.292 18487 9368 1 18 . 1 1 116 116 ILE H H 116 7.881 7.881 7.729 0.152 18487 9369 1 18 . 1 1 117 117 SER N N 117 121.192 121.192 124.208 -3.016 18487 9370 1 18 . 1 1 117 117 SER HA H 117 4.641 4.641 4.300 0.341 18487 9371 1 18 . 1 1 117 117 SER CA C 117 57.846 57.846 60.777 -2.931 18487 9372 1 18 . 1 1 117 117 SER CB C 117 63.962 63.962 63.727 0.235 18487 9373 1 18 . 1 1 117 117 SER H H 117 8.767 8.767 8.717 0.050 18487 9374 1 18 . 1 1 118 118 LYS N N 118 124.317 124.317 117.706 6.611 18487 9375 1 18 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.537 -0.181 18487 9376 1 18 . 1 1 118 118 LYS CA C 118 56.537 56.537 55.906 0.631 18487 9377 1 18 . 1 1 118 118 LYS CB C 118 33.050 33.050 33.437 -0.387 18487 9378 1 18 . 1 1 118 118 LYS H H 118 8.633 8.633 8.281 0.352 18487 9379 1 19 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.550 0.130 18487 9380 1 19 . 1 1 11 11 MET N N 11 120.918 120.918 124.625 -3.707 18487 9381 1 19 . 1 1 11 11 MET HA H 11 4.435 4.435 4.551 -0.116 18487 9382 1 19 . 1 1 11 11 MET CA C 11 55.736 55.736 56.044 -0.308 18487 9383 1 19 . 1 1 11 11 MET CB C 11 32.501 32.501 32.729 -0.228 18487 9384 1 19 . 1 1 11 11 MET H H 11 8.289 8.289 8.062 0.227 18487 9385 1 19 . 1 1 12 12 ASN N N 12 120.356 120.356 123.467 -3.111 18487 9386 1 19 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.908 -0.150 18487 9387 1 19 . 1 1 12 12 ASN CA C 12 53.488 53.488 52.267 1.221 18487 9388 1 19 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.876 -0.300 18487 9389 1 19 . 1 1 12 12 ASN H H 12 8.583 8.583 8.761 -0.178 18487 9390 1 19 . 1 1 13 13 SER N N 13 116.582 116.582 114.940 1.642 18487 9391 1 19 . 1 1 13 13 SER HA H 13 4.378 4.378 4.373 0.005 18487 9392 1 19 . 1 1 13 13 SER CA C 13 58.842 58.842 58.606 0.236 18487 9393 1 19 . 1 1 13 13 SER CB C 13 63.403 63.403 63.069 0.334 18487 9394 1 19 . 1 1 13 13 SER H H 13 8.319 8.319 8.218 0.101 18487 9395 1 19 . 1 1 14 14 GLN N N 14 121.369 121.369 122.138 -0.769 18487 9396 1 19 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.202 0.116 18487 9397 1 19 . 1 1 14 14 GLN CA C 14 56.099 56.099 56.211 -0.112 18487 9398 1 19 . 1 1 14 14 GLN CB C 14 28.944 28.944 28.262 0.682 18487 9399 1 19 . 1 1 14 14 GLN H H 14 8.365 8.365 7.941 0.424 18487 9400 1 19 . 1 1 15 15 ARG N N 15 121.565 121.565 128.301 -6.736 18487 9401 1 19 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.527 -0.213 18487 9402 1 19 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.979 -0.091 18487 9403 1 19 . 1 1 15 15 ARG CB C 15 30.427 30.427 29.435 0.992 18487 9404 1 19 . 1 1 15 15 ARG H H 15 8.084 8.084 8.413 -0.329 18487 9405 1 19 . 1 1 16 16 LEU N N 16 123.810 123.810 117.528 6.282 18487 9406 1 19 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.695 -0.352 18487 9407 1 19 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.279 1.361 18487 9408 1 19 . 1 1 16 16 LEU CB C 16 42.062 42.062 44.663 -2.602 18487 9409 1 19 . 1 1 16 16 LEU H H 16 8.254 8.254 7.637 0.617 18487 9410 1 19 . 1 1 17 17 ILE N N 17 122.996 122.996 120.186 2.810 18487 9411 1 19 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.206 -0.052 18487 9412 1 19 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.566 -0.352 18487 9413 1 19 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.921 -0.137 18487 9414 1 19 . 1 1 17 17 ILE H H 17 8.006 8.006 8.284 -0.278 18487 9415 1 19 . 1 1 18 18 HIS N N 18 126.123 126.123 127.987 -1.864 18487 9416 1 19 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.542 0.303 18487 9417 1 19 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.262 -1.057 18487 9418 1 19 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.155 0.042 18487 9419 1 19 . 1 1 18 18 HIS H H 18 9.025 9.025 8.471 0.554 18487 9420 1 19 . 1 1 19 19 ILE N N 19 124.783 124.783 127.582 -2.799 18487 9421 1 19 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.547 0.443 18487 9422 1 19 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.516 -1.008 18487 9423 1 19 . 1 1 19 19 ILE CB C 19 38.350 38.350 38.768 -0.418 18487 9424 1 19 . 1 1 19 19 ILE H H 19 8.485 8.485 8.149 0.336 18487 9425 1 19 . 1 1 20 20 LYS N N 20 128.184 128.184 129.214 -1.030 18487 9426 1 19 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.341 0.418 18487 9427 1 19 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.258 -1.129 18487 9428 1 19 . 1 1 20 20 LYS CB C 20 35.641 35.641 33.955 1.686 18487 9429 1 19 . 1 1 20 20 LYS H H 20 9.253 9.253 8.578 0.675 18487 9430 1 19 . 1 1 21 21 THR N N 21 114.649 114.649 122.412 -7.763 18487 9431 1 19 . 1 1 21 21 THR HA H 21 4.930 4.930 4.241 0.689 18487 9432 1 19 . 1 1 21 21 THR CA C 21 60.191 60.191 62.933 -2.742 18487 9433 1 19 . 1 1 21 21 THR CB C 21 69.966 69.966 68.874 1.093 18487 9434 1 19 . 1 1 21 21 THR H H 21 8.232 8.232 8.427 -0.195 18487 9435 1 19 . 1 1 22 22 LEU N N 22 125.973 125.973 129.492 -3.519 18487 9436 1 19 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.612 0.067 18487 9437 1 19 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.230 0.523 18487 9438 1 19 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.465 -0.331 18487 9439 1 19 . 1 1 22 22 LEU H H 22 9.156 9.156 8.587 0.569 18487 9440 1 19 . 1 1 23 23 THR N N 23 112.582 112.582 113.721 -1.139 18487 9441 1 19 . 1 1 23 23 THR HA H 23 4.281 4.281 4.234 0.047 18487 9442 1 19 . 1 1 23 23 THR CA C 23 61.474 61.474 61.258 0.216 18487 9443 1 19 . 1 1 23 23 THR CB C 23 69.759 69.759 69.836 -0.077 18487 9444 1 19 . 1 1 23 23 THR H H 23 7.912 7.912 8.223 -0.311 18487 9445 1 19 . 1 1 24 24 THR N N 24 112.952 112.952 112.809 0.143 18487 9446 1 19 . 1 1 24 24 THR HA H 24 5.040 5.040 4.755 0.285 18487 9447 1 19 . 1 1 24 24 THR CA C 24 60.000 60.000 58.932 1.068 18487 9448 1 19 . 1 1 24 24 THR CB C 24 69.872 69.872 69.741 0.131 18487 9449 1 19 . 1 1 24 24 THR H H 24 8.793 8.793 7.828 0.965 18487 9450 1 19 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.384 0.061 18487 9451 1 19 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.794 0.528 18487 9452 1 19 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.953 -0.374 18487 9453 1 19 . 1 1 26 26 ASN N N 26 115.534 115.534 117.695 -2.161 18487 9454 1 19 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.699 0.236 18487 9455 1 19 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.512 -1.475 18487 9456 1 19 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.169 -0.447 18487 9457 1 19 . 1 1 26 26 ASN H H 26 7.774 7.774 7.716 0.058 18487 9458 1 19 . 1 1 27 27 GLU N N 27 127.099 127.099 122.615 4.484 18487 9459 1 19 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.132 0.278 18487 9460 1 19 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.732 0.226 18487 9461 1 19 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.707 -0.602 18487 9462 1 19 . 1 1 27 27 GLU H H 27 9.428 9.428 8.820 0.608 18487 9463 1 19 . 1 1 28 28 ASN N N 28 115.176 115.176 117.227 -2.051 18487 9464 1 19 . 1 1 28 28 ASN HA H 28 4.986 4.986 5.046 -0.060 18487 9465 1 19 . 1 1 28 28 ASN CA C 28 53.784 53.784 52.561 1.223 18487 9466 1 19 . 1 1 28 28 ASN CB C 28 38.545 38.545 39.394 -0.849 18487 9467 1 19 . 1 1 28 28 ASN H H 28 8.591 8.591 8.216 0.375 18487 9468 1 19 . 1 1 29 29 ALA N N 29 123.317 123.317 122.995 0.322 18487 9469 1 19 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.664 0.712 18487 9470 1 19 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.340 0.970 18487 9471 1 19 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.621 0.537 18487 9472 1 19 . 1 1 29 29 ALA H H 29 8.210 8.210 7.581 0.629 18487 9473 1 19 . 1 1 30 30 LEU N N 30 124.426 124.426 126.633 -2.207 18487 9474 1 19 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.488 0.020 18487 9475 1 19 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.155 -0.495 18487 9476 1 19 . 1 1 30 30 LEU CB C 30 46.551 46.551 45.809 0.743 18487 9477 1 19 . 1 1 30 30 LEU H H 30 8.550 8.550 8.422 0.128 18487 9478 1 19 . 1 1 31 31 LYS N N 31 123.555 123.555 123.965 -0.410 18487 9479 1 19 . 1 1 31 31 LYS HA H 31 5.139 5.139 5.220 -0.081 18487 9480 1 19 . 1 1 31 31 LYS CA C 31 55.083 55.083 54.204 0.879 18487 9481 1 19 . 1 1 31 31 LYS CB C 31 35.171 35.171 34.674 0.497 18487 9482 1 19 . 1 1 31 31 LYS H H 31 8.169 8.169 8.213 -0.044 18487 9483 1 19 . 1 1 32 32 PHE N N 32 124.529 124.529 119.133 5.396 18487 9484 1 19 . 1 1 32 32 PHE HA H 32 4.975 4.975 5.334 -0.359 18487 9485 1 19 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.522 -0.048 18487 9486 1 19 . 1 1 32 32 PHE CB C 32 40.077 40.077 42.005 -1.928 18487 9487 1 19 . 1 1 32 32 PHE H H 32 9.634 9.634 8.663 0.971 18487 9488 1 19 . 1 1 33 33 LEU N N 33 122.712 122.712 126.904 -4.192 18487 9489 1 19 . 1 1 33 33 LEU HA H 33 5.064 5.064 5.171 -0.107 18487 9490 1 19 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.078 1.308 18487 9491 1 19 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.657 0.169 18487 9492 1 19 . 1 1 33 33 LEU H H 33 9.174 9.174 8.978 0.196 18487 9493 1 19 . 1 1 34 34 SER N N 34 117.120 117.120 121.496 -4.376 18487 9494 1 19 . 1 1 34 34 SER HA H 34 5.116 5.116 4.788 0.328 18487 9495 1 19 . 1 1 34 34 SER CA C 34 56.626 56.626 57.358 -0.732 18487 9496 1 19 . 1 1 34 34 SER CB C 34 64.053 64.053 63.025 1.028 18487 9497 1 19 . 1 1 34 34 SER H H 34 8.979 8.979 8.527 0.452 18487 9498 1 19 . 1 1 35 35 THR N N 35 117.097 117.097 114.508 2.589 18487 9499 1 19 . 1 1 35 35 THR HA H 35 4.460 4.460 4.530 -0.070 18487 9500 1 19 . 1 1 35 35 THR CA C 35 62.944 62.944 62.482 0.462 18487 9501 1 19 . 1 1 35 35 THR CB C 35 69.779 69.779 69.497 0.282 18487 9502 1 19 . 1 1 35 35 THR H H 35 8.646 8.646 8.086 0.560 18487 9503 1 19 . 1 1 36 36 ASP N N 36 120.039 120.039 122.028 -1.989 18487 9504 1 19 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.623 0.232 18487 9505 1 19 . 1 1 36 36 ASP CA C 36 54.741 54.741 55.489 -0.748 18487 9506 1 19 . 1 1 36 36 ASP CB C 36 41.519 41.519 40.816 0.703 18487 9507 1 19 . 1 1 36 36 ASP H H 36 8.711 8.711 8.442 0.269 18487 9508 1 19 . 1 1 37 37 GLY N N 37 107.015 107.015 106.864 0.151 18487 9509 1 19 . 1 1 37 37 GLY CA C 37 45.629 45.629 44.679 0.950 18487 9510 1 19 . 1 1 37 37 GLY H H 37 8.020 8.020 8.130 -0.110 18487 9511 1 19 . 1 1 38 38 GLU N N 38 120.021 120.021 122.331 -2.310 18487 9512 1 19 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.301 -0.023 18487 9513 1 19 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.074 1.069 18487 9514 1 19 . 1 1 38 38 GLU CB C 38 29.317 29.317 28.699 0.618 18487 9515 1 19 . 1 1 38 38 GLU H H 38 8.101 8.101 8.455 -0.354 18487 9516 1 19 . 1 1 39 39 MET N N 39 121.372 121.372 123.664 -2.292 18487 9517 1 19 . 1 1 39 39 MET HA H 39 4.799 4.799 4.383 0.416 18487 9518 1 19 . 1 1 39 39 MET CA C 39 54.229 54.229 55.258 -1.030 18487 9519 1 19 . 1 1 39 39 MET CB C 39 33.392 33.392 33.561 -0.169 18487 9520 1 19 . 1 1 39 39 MET H H 39 8.571 8.571 8.082 0.489 18487 9521 1 19 . 1 1 40 40 LEU N N 40 121.913 121.913 123.877 -1.964 18487 9522 1 19 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.095 0.164 18487 9523 1 19 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.551 0.593 18487 9524 1 19 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.228 0.198 18487 9525 1 19 . 1 1 40 40 LEU H H 40 8.572 8.572 8.847 -0.275 18487 9526 1 19 . 1 1 41 41 GLN N N 41 114.647 114.647 112.908 1.739 18487 9527 1 19 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.506 0.162 18487 9528 1 19 . 1 1 41 41 GLN CA C 41 54.397 54.397 55.019 -0.622 18487 9529 1 19 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.388 3.902 18487 9530 1 19 . 1 1 41 41 GLN H H 41 8.420 8.420 7.350 1.070 18487 9531 1 19 . 1 1 42 42 THR N N 42 111.706 111.706 116.537 -4.831 18487 9532 1 19 . 1 1 42 42 THR HA H 42 4.038 4.038 4.175 -0.137 18487 9533 1 19 . 1 1 42 42 THR CA C 42 63.082 63.082 63.357 -0.275 18487 9534 1 19 . 1 1 42 42 THR CB C 42 69.264 69.264 69.958 -0.694 18487 9535 1 19 . 1 1 42 42 THR H H 42 8.205 8.205 8.584 -0.379 18487 9536 1 19 . 1 1 43 43 ARG N N 43 126.367 126.367 127.398 -1.031 18487 9537 1 19 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.242 -0.093 18487 9538 1 19 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.658 -0.225 18487 9539 1 19 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.444 -0.517 18487 9540 1 19 . 1 1 43 43 ARG H H 43 8.885 8.885 8.941 -0.056 18487 9541 1 19 . 1 1 44 44 GLY N N 44 116.299 116.299 108.111 8.188 18487 9542 1 19 . 1 1 44 44 GLY CA C 44 44.876 44.876 45.172 -0.296 18487 9543 1 19 . 1 1 44 44 GLY H H 44 9.999 9.999 7.741 2.258 18487 9544 1 19 . 1 1 45 45 SER N N 45 117.374 117.374 117.480 -0.106 18487 9545 1 19 . 1 1 45 45 SER HA H 45 4.316 4.316 4.452 -0.136 18487 9546 1 19 . 1 1 45 45 SER CA C 45 59.967 59.967 58.194 1.774 18487 9547 1 19 . 1 1 45 45 SER CB C 45 63.866 63.866 64.476 -0.610 18487 9548 1 19 . 1 1 45 45 SER H H 45 8.034 8.034 7.630 0.404 18487 9549 1 19 . 1 1 46 46 LYS N N 46 124.024 124.024 119.782 4.242 18487 9550 1 19 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.511 -0.254 18487 9551 1 19 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.154 1.148 18487 9552 1 19 . 1 1 46 46 LYS CB C 46 32.677 32.677 31.908 0.769 18487 9553 1 19 . 1 1 46 46 LYS H H 46 8.560 8.560 8.239 0.321 18487 9554 1 19 . 1 1 47 47 SER N N 47 119.851 119.851 115.150 4.701 18487 9555 1 19 . 1 1 47 47 SER HA H 47 4.824 4.824 4.197 0.627 18487 9556 1 19 . 1 1 47 47 SER CA C 47 57.920 57.920 59.224 -1.304 18487 9557 1 19 . 1 1 47 47 SER CB C 47 63.770 63.770 61.591 2.179 18487 9558 1 19 . 1 1 47 47 SER H H 47 8.663 8.663 8.776 -0.113 18487 9559 1 19 . 1 1 48 48 ILE N N 48 124.054 124.054 121.742 2.312 18487 9560 1 19 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.974 0.383 18487 9561 1 19 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.529 -1.417 18487 9562 1 19 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.332 3.765 18487 9563 1 19 . 1 1 48 48 ILE H H 48 8.619 8.619 7.862 0.757 18487 9564 1 19 . 1 1 49 49 VAL N N 49 128.260 128.260 128.915 -0.655 18487 9565 1 19 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.440 0.292 18487 9566 1 19 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.040 -0.028 18487 9567 1 19 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.660 0.951 18487 9568 1 19 . 1 1 49 49 VAL H H 49 8.498 8.498 8.206 0.292 18487 9569 1 19 . 1 1 50 50 ILE N N 50 127.715 127.715 129.688 -1.973 18487 9570 1 19 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.341 0.162 18487 9571 1 19 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.400 1.090 18487 9572 1 19 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.573 1.890 18487 9573 1 19 . 1 1 50 50 ILE H H 50 9.236 9.236 8.317 0.919 18487 9574 1 19 . 1 1 51 51 LYS N N 51 127.422 127.422 128.046 -0.624 18487 9575 1 19 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.394 0.266 18487 9576 1 19 . 1 1 51 51 LYS CA C 51 55.550 55.550 56.574 -1.024 18487 9577 1 19 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.178 0.765 18487 9578 1 19 . 1 1 51 51 LYS H H 51 9.673 9.673 8.761 0.912 18487 9579 1 19 . 1 1 52 52 ASN N N 52 117.981 117.981 122.114 -4.133 18487 9580 1 19 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.487 -0.739 18487 9581 1 19 . 1 1 52 52 ASN CA C 52 55.167 55.167 54.757 0.410 18487 9582 1 19 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.568 -1.185 18487 9583 1 19 . 1 1 52 52 ASN H H 52 8.119 8.119 8.596 -0.477 18487 9584 1 19 . 1 1 53 53 THR N N 53 105.425 105.425 111.769 -6.344 18487 9585 1 19 . 1 1 53 53 THR HA H 53 4.218 4.218 4.178 0.040 18487 9586 1 19 . 1 1 53 53 THR CA C 53 60.619 60.619 62.797 -2.178 18487 9587 1 19 . 1 1 53 53 THR CB C 53 69.221 69.221 69.362 -0.141 18487 9588 1 19 . 1 1 53 53 THR H H 53 6.908 6.908 7.919 -1.011 18487 9589 1 19 . 1 1 54 54 ASP N N 54 125.547 125.547 122.526 3.021 18487 9590 1 19 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.730 0.236 18487 9591 1 19 . 1 1 54 54 ASP CA C 54 53.513 53.513 53.002 0.512 18487 9592 1 19 . 1 1 54 54 ASP CB C 54 39.956 39.956 41.391 -1.435 18487 9593 1 19 . 1 1 54 54 ASP H H 54 7.811 7.811 7.362 0.449 18487 9594 1 19 . 1 1 55 55 GLU N N 55 123.946 123.946 127.204 -3.258 18487 9595 1 19 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.804 0.019 18487 9596 1 19 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.682 0.442 18487 9597 1 19 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.777 0.155 18487 9598 1 19 . 1 1 55 55 GLU H H 55 7.919 7.919 8.219 -0.300 18487 9599 1 19 . 1 1 56 56 ASN N N 56 115.295 115.295 117.956 -2.661 18487 9600 1 19 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.540 0.014 18487 9601 1 19 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.417 0.691 18487 9602 1 19 . 1 1 56 56 ASN CB C 56 38.267 38.267 38.304 -0.037 18487 9603 1 19 . 1 1 56 56 ASN H H 56 8.728 8.728 7.718 1.010 18487 9604 1 19 . 1 1 57 57 LEU N N 57 120.223 120.223 119.368 0.855 18487 9605 1 19 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.199 0.036 18487 9606 1 19 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.822 -0.233 18487 9607 1 19 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.994 0.918 18487 9608 1 19 . 1 1 57 57 LEU H H 57 7.621 7.621 7.982 -0.361 18487 9609 1 19 . 1 1 58 58 ILE N N 58 120.489 120.489 117.475 3.014 18487 9610 1 19 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.836 -0.300 18487 9611 1 19 . 1 1 58 58 ILE CA C 58 66.339 66.339 63.988 2.351 18487 9612 1 19 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.897 0.497 18487 9613 1 19 . 1 1 58 58 ILE H H 58 8.461 8.461 7.272 1.189 18487 9614 1 19 . 1 1 59 59 ASN N N 59 114.873 114.873 117.284 -2.411 18487 9615 1 19 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.348 0.130 18487 9616 1 19 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.681 -0.726 18487 9617 1 19 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.415 -0.380 18487 9618 1 19 . 1 1 59 59 ASN H H 59 7.958 7.958 8.048 -0.090 18487 9619 1 19 . 1 1 60 60 HIS N N 60 115.059 115.059 116.311 -1.252 18487 9620 1 19 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.475 0.293 18487 9621 1 19 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.640 -1.303 18487 9622 1 19 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.539 -0.723 18487 9623 1 19 . 1 1 60 60 HIS H H 60 7.633 7.633 7.274 0.359 18487 9624 1 19 . 1 1 61 61 SER N N 61 115.447 115.447 113.992 1.455 18487 9625 1 19 . 1 1 61 61 SER HA H 61 5.135 5.135 4.970 0.165 18487 9626 1 19 . 1 1 61 61 SER CA C 61 56.072 56.072 55.613 0.459 18487 9627 1 19 . 1 1 61 61 SER CB C 61 63.806 63.806 63.494 0.312 18487 9628 1 19 . 1 1 61 61 SER H H 61 7.849 7.849 7.714 0.135 18487 9629 1 19 . 1 1 62 62 LYS N N 62 132.090 132.090 129.314 2.776 18487 9630 1 19 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.198 -0.154 18487 9631 1 19 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.408 0.137 18487 9632 1 19 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.375 -0.836 18487 9633 1 19 . 1 1 62 62 LYS H H 62 9.021 9.021 8.659 0.362 18487 9634 1 19 . 1 1 63 63 LEU N N 63 118.793 118.793 118.586 0.207 18487 9635 1 19 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.016 0.110 18487 9636 1 19 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.805 -0.155 18487 9637 1 19 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.574 0.205 18487 9638 1 19 . 1 1 63 63 LEU H H 63 8.567 8.567 8.184 0.383 18487 9639 1 19 . 1 1 64 64 ALA N N 64 118.752 118.752 120.679 -1.927 18487 9640 1 19 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.645 -0.025 18487 9641 1 19 . 1 1 64 64 ALA CA C 64 55.057 55.057 54.969 0.088 18487 9642 1 19 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.375 0.210 18487 9643 1 19 . 1 1 64 64 ALA H H 64 7.645 7.645 7.549 0.096 18487 9644 1 19 . 1 1 65 65 GLN N N 65 115.176 115.176 118.219 -3.043 18487 9645 1 19 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.969 -0.023 18487 9646 1 19 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.153 0.104 18487 9647 1 19 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.475 0.125 18487 9648 1 19 . 1 1 65 65 GLN H H 65 8.539 8.539 7.742 0.797 18487 9649 1 19 . 1 1 66 66 GLN N N 66 115.801 115.801 118.464 -2.663 18487 9650 1 19 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.077 -0.011 18487 9651 1 19 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.421 0.139 18487 9652 1 19 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.383 1.114 18487 9653 1 19 . 1 1 66 66 GLN H H 66 8.125 8.125 7.882 0.243 18487 9654 1 19 . 1 1 67 67 ILE N N 67 119.874 119.874 119.969 -0.095 18487 9655 1 19 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.559 -0.222 18487 9656 1 19 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.318 0.725 18487 9657 1 19 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.662 -0.744 18487 9658 1 19 . 1 1 67 67 ILE H H 67 8.281 8.281 7.662 0.619 18487 9659 1 19 . 1 1 68 68 PHE N N 68 114.873 114.873 117.857 -2.984 18487 9660 1 19 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.522 -0.027 18487 9661 1 19 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.161 0.530 18487 9662 1 19 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.301 -0.653 18487 9663 1 19 . 1 1 68 68 PHE H H 68 8.255 8.255 7.887 0.368 18487 9664 1 19 . 1 1 69 69 LEU N N 69 117.763 117.763 120.035 -2.272 18487 9665 1 19 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.092 0.203 18487 9666 1 19 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.544 -0.208 18487 9667 1 19 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.013 1.115 18487 9668 1 19 . 1 1 69 69 LEU H H 69 7.747 7.747 7.791 -0.044 18487 9669 1 19 . 1 1 70 70 GLN N N 70 115.040 115.040 116.711 -1.671 18487 9670 1 19 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.195 0.117 18487 9671 1 19 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.887 -0.657 18487 9672 1 19 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.953 0.069 18487 9673 1 19 . 1 1 70 70 GLN H H 70 8.308 8.308 8.138 0.170 18487 9674 1 19 . 1 1 71 71 CYS N N 71 115.881 115.881 117.550 -1.669 18487 9675 1 19 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.871 0.087 18487 9676 1 19 . 1 1 71 71 CYS CA C 71 55.401 55.401 56.018 -0.617 18487 9677 1 19 . 1 1 71 71 CYS CB C 71 28.735 28.735 31.065 -2.330 18487 9678 1 19 . 1 1 71 71 CYS H H 71 8.242 8.242 7.828 0.414 18487 9679 1 19 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.677 -0.114 18487 9680 1 19 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.481 0.528 18487 9681 1 19 . 1 1 72 72 PRO CB C 72 31.411 31.411 31.903 -0.492 18487 9682 1 19 . 1 1 73 73 GLY N N 73 106.975 106.975 107.716 -0.741 18487 9683 1 19 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.928 0.350 18487 9684 1 19 . 1 1 73 73 GLY H H 73 8.657 8.657 7.628 1.029 18487 9685 1 19 . 1 1 74 74 VAL N N 74 119.448 119.448 121.921 -2.473 18487 9686 1 19 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.900 0.080 18487 9687 1 19 . 1 1 74 74 VAL CA C 74 63.801 63.801 62.947 0.854 18487 9688 1 19 . 1 1 74 74 VAL CB C 74 31.500 31.500 30.894 0.606 18487 9689 1 19 . 1 1 74 74 VAL H H 74 7.747 7.747 7.342 0.405 18487 9690 1 19 . 1 1 75 75 GLU N N 75 129.063 129.063 127.142 1.921 18487 9691 1 19 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.216 0.251 18487 9692 1 19 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.654 -0.625 18487 9693 1 19 . 1 1 75 75 GLU CB C 75 31.612 31.612 30.930 0.682 18487 9694 1 19 . 1 1 75 75 GLU H H 75 8.994 8.994 8.601 0.393 18487 9695 1 19 . 1 1 76 76 SER N N 76 110.068 110.068 109.888 0.180 18487 9696 1 19 . 1 1 76 76 SER HA H 76 5.283 5.283 5.595 -0.312 18487 9697 1 19 . 1 1 76 76 SER CA C 76 57.395 57.395 57.672 -0.277 18487 9698 1 19 . 1 1 76 76 SER CB C 76 65.281 65.281 66.364 -1.083 18487 9699 1 19 . 1 1 76 76 SER H H 76 8.306 8.306 8.398 -0.092 18487 9700 1 19 . 1 1 77 77 LEU N N 77 117.334 117.334 119.464 -2.130 18487 9701 1 19 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.158 0.243 18487 9702 1 19 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.420 0.161 18487 9703 1 19 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.202 0.971 18487 9704 1 19 . 1 1 77 77 LEU H H 77 9.250 9.250 8.730 0.520 18487 9705 1 19 . 1 1 78 78 MET N N 78 121.119 121.119 120.329 0.790 18487 9706 1 19 . 1 1 78 78 MET HA H 78 5.367 5.367 4.985 0.382 18487 9707 1 19 . 1 1 78 78 MET CA C 78 53.966 53.966 54.628 -0.662 18487 9708 1 19 . 1 1 78 78 MET CB C 78 36.374 36.374 36.402 -0.028 18487 9709 1 19 . 1 1 78 78 MET H H 78 9.333 9.333 8.657 0.676 18487 9710 1 19 . 1 1 79 79 ILE N N 79 127.512 127.512 126.914 0.598 18487 9711 1 19 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.303 -0.311 18487 9712 1 19 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.166 2.459 18487 9713 1 19 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.291 2.096 18487 9714 1 19 . 1 1 79 79 ILE H H 79 9.396 9.396 8.441 0.955 18487 9715 1 19 . 1 1 80 80 GLY N N 80 117.437 117.437 115.163 2.274 18487 9716 1 19 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.163 0.447 18487 9717 1 19 . 1 1 80 80 GLY H H 80 7.916 7.916 7.845 0.071 18487 9718 1 19 . 1 1 81 81 ASP N N 81 118.860 118.860 118.680 0.180 18487 9719 1 19 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.268 0.405 18487 9720 1 19 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.639 -2.605 18487 9721 1 19 . 1 1 81 81 ASP CB C 81 39.674 39.674 40.912 -1.238 18487 9722 1 19 . 1 1 81 81 ASP H H 81 7.983 7.983 8.268 -0.285 18487 9723 1 19 . 1 1 82 82 ASP N N 82 118.682 118.682 113.732 4.950 18487 9724 1 19 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.717 0.102 18487 9725 1 19 . 1 1 82 82 ASP CA C 82 52.138 52.138 53.273 -1.135 18487 9726 1 19 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.745 -0.751 18487 9727 1 19 . 1 1 82 82 ASP H H 82 9.164 9.164 8.447 0.717 18487 9728 1 19 . 1 1 83 83 PHE N N 83 110.898 110.898 115.446 -4.548 18487 9729 1 19 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.704 0.146 18487 9730 1 19 . 1 1 83 83 PHE CA C 83 54.965 54.965 54.294 0.671 18487 9731 1 19 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.513 1.233 18487 9732 1 19 . 1 1 83 83 PHE H H 83 6.887 6.887 7.304 -0.417 18487 9733 1 19 . 1 1 84 84 LEU N N 84 121.119 121.119 125.468 -4.349 18487 9734 1 19 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.039 0.194 18487 9735 1 19 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.280 -0.314 18487 9736 1 19 . 1 1 84 84 LEU CB C 84 47.408 47.408 44.084 3.324 18487 9737 1 19 . 1 1 84 84 LEU H H 84 9.118 9.118 8.932 0.186 18487 9738 1 19 . 1 1 85 85 THR N N 85 125.430 125.430 125.698 -0.268 18487 9739 1 19 . 1 1 85 85 THR HA H 85 5.639 5.639 4.841 0.798 18487 9740 1 19 . 1 1 85 85 THR CA C 85 61.743 61.743 62.689 -0.946 18487 9741 1 19 . 1 1 85 85 THR CB C 85 69.835 69.835 69.146 0.689 18487 9742 1 19 . 1 1 85 85 THR H H 85 9.780 9.780 8.994 0.786 18487 9743 1 19 . 1 1 86 86 ILE N N 86 126.778 126.778 127.912 -1.134 18487 9744 1 19 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.284 0.427 18487 9745 1 19 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.967 -2.262 18487 9746 1 19 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.620 1.724 18487 9747 1 19 . 1 1 86 86 ILE H H 86 9.151 9.151 8.868 0.283 18487 9748 1 19 . 1 1 87 87 ASN N N 87 124.785 124.785 126.228 -1.443 18487 9749 1 19 . 1 1 87 87 ASN HA H 87 6.026 6.026 6.019 0.007 18487 9750 1 19 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.139 -0.107 18487 9751 1 19 . 1 1 87 87 ASN CB C 87 39.679 39.679 40.970 -1.291 18487 9752 1 19 . 1 1 87 87 ASN H H 87 8.680 8.680 8.780 -0.100 18487 9753 1 19 . 1 1 88 88 LYS N N 88 122.617 122.617 122.874 -0.257 18487 9754 1 19 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.732 0.507 18487 9755 1 19 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.749 -0.235 18487 9756 1 19 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.481 1.774 18487 9757 1 19 . 1 1 88 88 LYS H H 88 9.361 9.361 8.129 1.232 18487 9758 1 19 . 1 1 89 89 ASP N N 89 121.211 121.211 120.802 0.409 18487 9759 1 19 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.565 -0.104 18487 9760 1 19 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.337 -0.442 18487 9761 1 19 . 1 1 89 89 ASP CB C 89 42.744 42.744 43.020 -0.276 18487 9762 1 19 . 1 1 89 89 ASP H H 89 8.454 8.454 8.229 0.225 18487 9763 1 19 . 1 1 90 90 ARG N N 90 124.551 124.551 125.892 -1.341 18487 9764 1 19 . 1 1 90 90 ARG HA H 90 4.074 4.074 3.945 0.129 18487 9765 1 19 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.314 -0.205 18487 9766 1 19 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.543 0.352 18487 9767 1 19 . 1 1 90 90 ARG H H 90 8.475 8.475 8.753 -0.278 18487 9768 1 19 . 1 1 91 91 MET N N 91 115.821 115.821 116.995 -1.174 18487 9769 1 19 . 1 1 91 91 MET HA H 91 4.424 4.424 4.226 0.198 18487 9770 1 19 . 1 1 91 91 MET CA C 91 55.206 55.206 56.742 -1.536 18487 9771 1 19 . 1 1 91 91 MET CB C 91 31.307 31.307 33.140 -1.833 18487 9772 1 19 . 1 1 91 91 MET H H 91 8.725 8.725 7.709 1.016 18487 9773 1 19 . 1 1 92 92 VAL N N 92 119.922 119.922 118.463 1.459 18487 9774 1 19 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.145 -0.039 18487 9775 1 19 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.096 -0.038 18487 9776 1 19 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.929 0.215 18487 9777 1 19 . 1 1 92 92 VAL H H 92 7.348 7.348 7.417 -0.069 18487 9778 1 19 . 1 1 93 93 HIS N N 93 125.619 125.619 125.560 0.059 18487 9779 1 19 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.424 0.172 18487 9780 1 19 . 1 1 93 93 HIS CA C 93 55.394 55.394 57.140 -1.746 18487 9781 1 19 . 1 1 93 93 HIS CB C 93 31.658 31.658 31.553 0.105 18487 9782 1 19 . 1 1 93 93 HIS H H 93 8.851 8.851 8.635 0.216 18487 9783 1 19 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.551 0.449 18487 9784 1 19 . 1 1 94 94 TRP CA C 94 60.000 60.000 59.992 0.008 18487 9785 1 19 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.771 0.229 18487 9786 1 19 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.559 0.138 18487 9787 1 19 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.520 0.507 18487 9788 1 19 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.221 -1.070 18487 9789 1 19 . 1 1 96 96 SER N N 96 113.047 113.047 116.021 -2.974 18487 9790 1 19 . 1 1 96 96 SER HA H 96 4.628 4.628 4.332 0.296 18487 9791 1 19 . 1 1 96 96 SER CA C 96 60.183 60.183 61.157 -0.974 18487 9792 1 19 . 1 1 96 96 SER CB C 96 63.901 63.901 63.410 0.491 18487 9793 1 19 . 1 1 96 96 SER H H 96 8.064 8.064 8.316 -0.252 18487 9794 1 19 . 1 1 97 97 ILE N N 97 116.621 116.621 120.788 -4.167 18487 9795 1 19 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.017 0.625 18487 9796 1 19 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.265 -0.487 18487 9797 1 19 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.153 4.274 18487 9798 1 19 . 1 1 97 97 ILE H H 97 7.705 7.705 7.646 0.059 18487 9799 1 19 . 1 1 98 98 LYS N N 98 120.198 120.198 121.501 -1.303 18487 9800 1 19 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.246 0.011 18487 9801 1 19 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.102 0.611 18487 9802 1 19 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.931 0.042 18487 9803 1 19 . 1 1 98 98 LYS H H 98 9.132 9.132 8.515 0.617 18487 9804 1 19 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.320 -0.036 18487 9805 1 19 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.966 0.368 18487 9806 1 19 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.006 -0.605 18487 9807 1 19 . 1 1 100 100 GLU N N 100 117.097 117.097 118.695 -1.598 18487 9808 1 19 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.105 0.047 18487 9809 1 19 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.623 0.196 18487 9810 1 19 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.703 0.713 18487 9811 1 19 . 1 1 100 100 GLU H H 100 7.447 7.447 7.863 -0.416 18487 9812 1 19 . 1 1 101 101 ILE N N 101 118.326 118.326 120.906 -2.580 18487 9813 1 19 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.451 -0.087 18487 9814 1 19 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.463 -2.102 18487 9815 1 19 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.470 -1.621 18487 9816 1 19 . 1 1 101 101 ILE H H 101 7.896 7.896 7.534 0.362 18487 9817 1 19 . 1 1 102 102 ILE N N 102 118.368 118.368 119.649 -1.281 18487 9818 1 19 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.346 0.062 18487 9819 1 19 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.499 0.747 18487 9820 1 19 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.362 -0.122 18487 9821 1 19 . 1 1 102 102 ILE H H 102 8.243 8.243 7.739 0.504 18487 9822 1 19 . 1 1 103 103 ASP N N 103 122.381 122.381 120.039 2.342 18487 9823 1 19 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.340 0.038 18487 9824 1 19 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.628 0.354 18487 9825 1 19 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.898 0.636 18487 9826 1 19 . 1 1 103 103 ASP H H 103 7.900 7.900 7.715 0.185 18487 9827 1 19 . 1 1 104 104 LEU N N 104 119.007 119.007 119.493 -0.486 18487 9828 1 19 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.964 0.034 18487 9829 1 19 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.750 -0.011 18487 9830 1 19 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.815 0.327 18487 9831 1 19 . 1 1 104 104 LEU H H 104 8.261 8.261 7.494 0.767 18487 9832 1 19 . 1 1 105 105 LEU N N 105 120.443 120.443 119.156 1.287 18487 9833 1 19 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.053 -0.066 18487 9834 1 19 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.028 -0.527 18487 9835 1 19 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.087 1.000 18487 9836 1 19 . 1 1 105 105 LEU H H 105 9.022 9.022 8.169 0.853 18487 9837 1 19 . 1 1 106 106 THR N N 106 114.821 114.821 115.630 -0.809 18487 9838 1 19 . 1 1 106 106 THR HA H 106 3.698 3.698 3.987 -0.289 18487 9839 1 19 . 1 1 106 106 THR CA C 106 67.610 67.610 66.746 0.864 18487 9840 1 19 . 1 1 106 106 THR CB C 106 68.325 68.325 68.586 -0.261 18487 9841 1 19 . 1 1 106 106 THR H H 106 8.273 8.273 7.632 0.641 18487 9842 1 19 . 1 1 107 107 LYS N N 107 120.049 120.049 121.071 -1.022 18487 9843 1 19 . 1 1 107 107 LYS HA H 107 3.907 3.907 4.092 -0.185 18487 9844 1 19 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.119 0.336 18487 9845 1 19 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.862 0.500 18487 9846 1 19 . 1 1 107 107 LYS H H 107 7.691 7.691 7.510 0.181 18487 9847 1 19 . 1 1 108 108 GLN N N 108 118.375 118.375 119.198 -0.823 18487 9848 1 19 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.221 -0.203 18487 9849 1 19 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.825 -0.842 18487 9850 1 19 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.757 -1.102 18487 9851 1 19 . 1 1 108 108 GLN H H 108 7.888 7.888 7.786 0.102 18487 9852 1 19 . 1 1 109 109 LEU N N 109 118.066 118.066 117.649 0.417 18487 9853 1 19 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.186 -0.004 18487 9854 1 19 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.052 0.415 18487 9855 1 19 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.675 0.136 18487 9856 1 19 . 1 1 109 109 LEU H H 109 8.269 8.269 7.856 0.413 18487 9857 1 19 . 1 1 110 110 ALA N N 110 120.909 120.909 121.115 -0.206 18487 9858 1 19 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.029 0.003 18487 9859 1 19 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.420 -0.180 18487 9860 1 19 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.356 0.311 18487 9861 1 19 . 1 1 110 110 ALA H H 110 8.171 8.171 7.492 0.679 18487 9862 1 19 . 1 1 111 111 TYR N N 111 114.611 114.611 117.138 -2.527 18487 9863 1 19 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.504 0.138 18487 9864 1 19 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.816 -0.889 18487 9865 1 19 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.047 -0.575 18487 9866 1 19 . 1 1 111 111 TYR H H 111 7.763 7.763 7.778 -0.015 18487 9867 1 19 . 1 1 112 112 GLY N N 112 107.916 107.916 107.871 0.045 18487 9868 1 19 . 1 1 112 112 GLY CA C 112 46.208 46.208 44.920 1.288 18487 9869 1 19 . 1 1 112 112 GLY H H 112 7.941 7.941 7.915 0.026 18487 9870 1 19 . 1 1 113 113 GLU N N 113 119.571 119.571 119.485 0.086 18487 9871 1 19 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.324 0.066 18487 9872 1 19 . 1 1 113 113 GLU CA C 113 56.025 56.025 55.289 0.736 18487 9873 1 19 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.012 -0.609 18487 9874 1 19 . 1 1 113 113 GLU H H 113 8.166 8.166 7.842 0.324 18487 9875 1 19 . 1 1 114 114 ASP N N 114 121.457 121.457 121.508 -0.051 18487 9876 1 19 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.790 -0.165 18487 9877 1 19 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.474 0.601 18487 9878 1 19 . 1 1 114 114 ASP CB C 114 40.997 40.997 40.246 0.751 18487 9879 1 19 . 1 1 114 114 ASP H H 114 8.560 8.560 8.515 0.045 18487 9880 1 19 . 1 1 115 115 VAL N N 115 120.645 120.645 124.195 -3.550 18487 9881 1 19 . 1 1 115 115 VAL HA H 115 4.079 4.079 3.668 0.411 18487 9882 1 19 . 1 1 115 115 VAL CA C 115 63.518 63.518 65.733 -2.215 18487 9883 1 19 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.240 -0.407 18487 9884 1 19 . 1 1 115 115 VAL H H 115 8.659 8.659 8.222 0.437 18487 9885 1 19 . 1 1 116 116 ILE N N 116 120.775 120.775 115.995 4.780 18487 9886 1 19 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.251 0.412 18487 9887 1 19 . 1 1 116 116 ILE CA C 116 59.736 59.736 61.637 -1.901 18487 9888 1 19 . 1 1 116 116 ILE CB C 116 39.798 39.798 38.598 1.200 18487 9889 1 19 . 1 1 116 116 ILE H H 116 7.881 7.881 8.112 -0.231 18487 9890 1 19 . 1 1 117 117 SER N N 117 121.192 121.192 114.319 6.873 18487 9891 1 19 . 1 1 117 117 SER HA H 117 4.641 4.641 4.712 -0.071 18487 9892 1 19 . 1 1 117 117 SER CA C 117 57.846 57.846 57.161 0.685 18487 9893 1 19 . 1 1 117 117 SER CB C 117 63.962 63.962 65.648 -1.686 18487 9894 1 19 . 1 1 117 117 SER H H 117 8.767 8.767 8.425 0.342 18487 9895 1 19 . 1 1 118 118 LYS N N 118 124.317 124.317 123.305 1.012 18487 9896 1 19 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.237 0.119 18487 9897 1 19 . 1 1 118 118 LYS CA C 118 56.537 56.537 57.401 -0.864 18487 9898 1 19 . 1 1 118 118 LYS CB C 118 33.050 33.050 33.416 -0.367 18487 9899 1 19 . 1 1 118 118 LYS H H 118 8.633 8.633 8.589 0.044 18487 9900 1 20 . 1 1 10 10 HIS HA H 10 4.680 4.680 4.463 0.217 18487 9901 1 20 . 1 1 11 11 MET N N 11 120.918 120.918 126.186 -5.268 18487 9902 1 20 . 1 1 11 11 MET HA H 11 4.435 4.435 4.368 0.067 18487 9903 1 20 . 1 1 11 11 MET CA C 11 55.736 55.736 54.989 0.747 18487 9904 1 20 . 1 1 11 11 MET CB C 11 32.501 32.501 32.513 -0.012 18487 9905 1 20 . 1 1 11 11 MET H H 11 8.289 8.289 7.816 0.473 18487 9906 1 20 . 1 1 12 12 ASN N N 12 120.356 120.356 125.535 -5.179 18487 9907 1 20 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.778 -0.020 18487 9908 1 20 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.550 -0.062 18487 9909 1 20 . 1 1 12 12 ASN CB C 12 38.576 38.576 39.197 -0.621 18487 9910 1 20 . 1 1 12 12 ASN H H 12 8.583 8.583 8.606 -0.023 18487 9911 1 20 . 1 1 13 13 SER N N 13 116.582 116.582 120.101 -3.519 18487 9912 1 20 . 1 1 13 13 SER HA H 13 4.378 4.378 4.609 -0.231 18487 9913 1 20 . 1 1 13 13 SER CA C 13 58.842 58.842 58.160 0.682 18487 9914 1 20 . 1 1 13 13 SER CB C 13 63.403 63.403 63.993 -0.590 18487 9915 1 20 . 1 1 13 13 SER H H 13 8.319 8.319 8.766 -0.447 18487 9916 1 20 . 1 1 14 14 GLN N N 14 121.369 121.369 121.241 0.128 18487 9917 1 20 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.383 -0.065 18487 9918 1 20 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.884 0.215 18487 9919 1 20 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.277 -0.333 18487 9920 1 20 . 1 1 14 14 GLN H H 14 8.365 8.365 7.849 0.516 18487 9921 1 20 . 1 1 15 15 ARG N N 15 121.565 121.565 115.011 6.554 18487 9922 1 20 . 1 1 15 15 ARG HA H 15 4.314 4.314 3.979 0.335 18487 9923 1 20 . 1 1 15 15 ARG CA C 15 55.888 55.888 56.610 -0.722 18487 9924 1 20 . 1 1 15 15 ARG CB C 15 30.427 30.427 27.912 2.515 18487 9925 1 20 . 1 1 15 15 ARG H H 15 8.084 8.084 8.697 -0.613 18487 9926 1 20 . 1 1 16 16 LEU N N 16 123.810 123.810 115.867 7.943 18487 9927 1 20 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.441 -0.098 18487 9928 1 20 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.436 1.204 18487 9929 1 20 . 1 1 16 16 LEU CB C 16 42.062 42.062 40.873 1.189 18487 9930 1 20 . 1 1 16 16 LEU H H 16 8.254 8.254 7.779 0.475 18487 9931 1 20 . 1 1 17 17 ILE N N 17 122.996 122.996 124.049 -1.053 18487 9932 1 20 . 1 1 17 17 ILE HA H 17 4.154 4.154 3.956 0.198 18487 9933 1 20 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.822 -0.608 18487 9934 1 20 . 1 1 17 17 ILE CB C 17 38.784 38.784 37.094 1.690 18487 9935 1 20 . 1 1 17 17 ILE H H 17 8.006 8.006 7.635 0.371 18487 9936 1 20 . 1 1 18 18 HIS N N 18 126.123 126.123 126.583 -0.460 18487 9937 1 20 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.487 0.358 18487 9938 1 20 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.401 -1.196 18487 9939 1 20 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.288 -0.091 18487 9940 1 20 . 1 1 18 18 HIS H H 18 9.025 9.025 7.940 1.085 18487 9941 1 20 . 1 1 19 19 ILE N N 19 124.783 124.783 124.229 0.554 18487 9942 1 20 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.663 0.327 18487 9943 1 20 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.886 -1.378 18487 9944 1 20 . 1 1 19 19 ILE CB C 19 38.350 38.350 39.059 -0.709 18487 9945 1 20 . 1 1 19 19 ILE H H 19 8.485 8.485 8.386 0.099 18487 9946 1 20 . 1 1 20 20 LYS N N 20 128.184 128.184 128.972 -0.788 18487 9947 1 20 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.578 0.181 18487 9948 1 20 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.482 -1.353 18487 9949 1 20 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.651 0.990 18487 9950 1 20 . 1 1 20 20 LYS H H 20 9.253 9.253 8.749 0.504 18487 9951 1 20 . 1 1 21 21 THR N N 21 114.649 114.649 120.455 -5.806 18487 9952 1 20 . 1 1 21 21 THR HA H 21 4.930 4.930 4.877 0.053 18487 9953 1 20 . 1 1 21 21 THR CA C 21 60.191 60.191 60.859 -0.668 18487 9954 1 20 . 1 1 21 21 THR CB C 21 69.966 69.966 69.266 0.700 18487 9955 1 20 . 1 1 21 21 THR H H 21 8.232 8.232 8.315 -0.083 18487 9956 1 20 . 1 1 22 22 LEU N N 22 125.973 125.973 129.483 -3.510 18487 9957 1 20 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.695 -0.016 18487 9958 1 20 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.208 0.545 18487 9959 1 20 . 1 1 22 22 LEU CB C 22 45.134 45.134 45.744 -0.610 18487 9960 1 20 . 1 1 22 22 LEU H H 22 9.156 9.156 8.624 0.532 18487 9961 1 20 . 1 1 23 23 THR N N 23 112.582 112.582 113.094 -0.512 18487 9962 1 20 . 1 1 23 23 THR HA H 23 4.281 4.281 4.250 0.031 18487 9963 1 20 . 1 1 23 23 THR CA C 23 61.474 61.474 61.969 -0.495 18487 9964 1 20 . 1 1 23 23 THR CB C 23 69.759 69.759 69.367 0.392 18487 9965 1 20 . 1 1 23 23 THR H H 23 7.912 7.912 8.236 -0.324 18487 9966 1 20 . 1 1 24 24 THR N N 24 112.952 112.952 115.939 -2.987 18487 9967 1 20 . 1 1 24 24 THR HA H 24 5.040 5.040 4.685 0.355 18487 9968 1 20 . 1 1 24 24 THR CA C 24 60.000 60.000 58.417 1.583 18487 9969 1 20 . 1 1 24 24 THR CB C 24 69.872 69.872 69.467 0.405 18487 9970 1 20 . 1 1 24 24 THR H H 24 8.793 8.793 8.330 0.463 18487 9971 1 20 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.333 0.112 18487 9972 1 20 . 1 1 25 25 PRO CA C 25 64.322 64.322 64.302 0.020 18487 9973 1 20 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.929 -0.349 18487 9974 1 20 . 1 1 26 26 ASN N N 26 115.534 115.534 118.844 -3.310 18487 9975 1 20 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.855 0.080 18487 9976 1 20 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.002 -0.965 18487 9977 1 20 . 1 1 26 26 ASN CB C 26 39.722 39.722 40.273 -0.551 18487 9978 1 20 . 1 1 26 26 ASN H H 26 7.774 7.774 7.577 0.197 18487 9979 1 20 . 1 1 27 27 GLU N N 27 127.099 127.099 122.719 4.380 18487 9980 1 20 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.033 0.377 18487 9981 1 20 . 1 1 27 27 GLU CA C 27 58.958 58.958 59.115 -0.157 18487 9982 1 20 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.385 -0.280 18487 9983 1 20 . 1 1 27 27 GLU H H 27 9.428 9.428 8.819 0.609 18487 9984 1 20 . 1 1 28 28 ASN N N 28 115.176 115.176 118.888 -3.712 18487 9985 1 20 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.487 0.499 18487 9986 1 20 . 1 1 28 28 ASN CA C 28 53.784 53.784 55.987 -2.203 18487 9987 1 20 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.303 0.242 18487 9988 1 20 . 1 1 28 28 ASN H H 28 8.591 8.591 8.320 0.271 18487 9989 1 20 . 1 1 29 29 ALA N N 29 123.317 123.317 120.139 3.178 18487 9990 1 20 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.223 1.153 18487 9991 1 20 . 1 1 29 29 ALA CA C 29 51.310 51.310 51.015 0.295 18487 9992 1 20 . 1 1 29 29 ALA CB C 29 22.158 22.158 20.717 1.441 18487 9993 1 20 . 1 1 29 29 ALA H H 29 8.210 8.210 8.013 0.197 18487 9994 1 20 . 1 1 30 30 LEU N N 30 124.426 124.426 120.641 3.785 18487 9995 1 20 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.317 0.191 18487 9996 1 20 . 1 1 30 30 LEU CA C 30 53.660 53.660 55.141 -1.481 18487 9997 1 20 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.328 0.223 18487 9998 1 20 . 1 1 30 30 LEU H H 30 8.550 8.550 8.137 0.413 18487 9999 1 20 . 1 1 31 31 LYS N N 31 123.555 123.555 125.617 -2.062 18487 10000 1 20 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.543 0.596 18487 10001 1 20 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.908 -0.826 18487 10002 1 20 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.540 1.631 18487 10003 1 20 . 1 1 31 31 LYS H H 31 8.169 8.169 8.162 0.007 18487 10004 1 20 . 1 1 32 32 PHE N N 32 124.529 124.529 125.431 -0.902 18487 10005 1 20 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.921 0.054 18487 10006 1 20 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.989 -0.515 18487 10007 1 20 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.983 -0.906 18487 10008 1 20 . 1 1 32 32 PHE H H 32 9.634 9.634 8.995 0.639 18487 10009 1 20 . 1 1 33 33 LEU N N 33 122.712 122.712 125.270 -2.558 18487 10010 1 20 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.924 0.140 18487 10011 1 20 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.605 0.782 18487 10012 1 20 . 1 1 33 33 LEU CB C 33 45.826 45.826 46.001 -0.175 18487 10013 1 20 . 1 1 33 33 LEU H H 33 9.174 9.174 9.055 0.119 18487 10014 1 20 . 1 1 34 34 SER N N 34 117.120 117.120 121.927 -4.807 18487 10015 1 20 . 1 1 34 34 SER HA H 34 5.116 5.116 4.942 0.174 18487 10016 1 20 . 1 1 34 34 SER CA C 34 56.626 56.626 57.102 -0.476 18487 10017 1 20 . 1 1 34 34 SER CB C 34 64.053 64.053 63.401 0.652 18487 10018 1 20 . 1 1 34 34 SER H H 34 8.979 8.979 8.353 0.626 18487 10019 1 20 . 1 1 35 35 THR N N 35 117.097 117.097 118.871 -1.774 18487 10020 1 20 . 1 1 35 35 THR HA H 35 4.460 4.460 4.519 -0.059 18487 10021 1 20 . 1 1 35 35 THR CA C 35 62.944 62.944 62.090 0.854 18487 10022 1 20 . 1 1 35 35 THR CB C 35 69.779 69.779 69.785 -0.006 18487 10023 1 20 . 1 1 35 35 THR H H 35 8.646 8.646 8.689 -0.043 18487 10024 1 20 . 1 1 36 36 ASP N N 36 120.039 120.039 122.832 -2.793 18487 10025 1 20 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.467 0.388 18487 10026 1 20 . 1 1 36 36 ASP CA C 36 54.741 54.741 56.442 -1.701 18487 10027 1 20 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.185 0.334 18487 10028 1 20 . 1 1 36 36 ASP H H 36 8.711 8.711 8.129 0.582 18487 10029 1 20 . 1 1 37 37 GLY N N 37 107.015 107.015 107.304 -0.289 18487 10030 1 20 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.614 0.015 18487 10031 1 20 . 1 1 37 37 GLY H H 37 8.020 8.020 8.328 -0.308 18487 10032 1 20 . 1 1 38 38 GLU N N 38 120.021 120.021 122.809 -2.788 18487 10033 1 20 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.278 0.000 18487 10034 1 20 . 1 1 38 38 GLU CA C 38 57.143 57.143 56.154 0.989 18487 10035 1 20 . 1 1 38 38 GLU CB C 38 29.317 29.317 29.419 -0.102 18487 10036 1 20 . 1 1 38 38 GLU H H 38 8.101 8.101 8.367 -0.266 18487 10037 1 20 . 1 1 39 39 MET N N 39 121.372 121.372 123.457 -2.085 18487 10038 1 20 . 1 1 39 39 MET HA H 39 4.799 4.799 4.600 0.199 18487 10039 1 20 . 1 1 39 39 MET CA C 39 54.229 54.229 54.940 -0.711 18487 10040 1 20 . 1 1 39 39 MET CB C 39 33.392 33.392 34.657 -1.265 18487 10041 1 20 . 1 1 39 39 MET H H 39 8.571 8.571 8.631 -0.060 18487 10042 1 20 . 1 1 40 40 LEU N N 40 121.913 121.913 122.278 -0.365 18487 10043 1 20 . 1 1 40 40 LEU HA H 40 4.259 4.259 3.991 0.268 18487 10044 1 20 . 1 1 40 40 LEU CA C 40 57.144 57.144 57.756 -0.612 18487 10045 1 20 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.095 0.331 18487 10046 1 20 . 1 1 40 40 LEU H H 40 8.572 8.572 8.910 -0.338 18487 10047 1 20 . 1 1 41 41 GLN N N 41 114.647 114.647 115.147 -0.500 18487 10048 1 20 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.448 0.220 18487 10049 1 20 . 1 1 41 41 GLN CA C 41 54.397 54.397 55.905 -1.508 18487 10050 1 20 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.691 3.599 18487 10051 1 20 . 1 1 41 41 GLN H H 41 8.420 8.420 7.613 0.807 18487 10052 1 20 . 1 1 42 42 THR N N 42 111.706 111.706 111.150 0.556 18487 10053 1 20 . 1 1 42 42 THR HA H 42 4.038 4.038 4.378 -0.340 18487 10054 1 20 . 1 1 42 42 THR CA C 42 63.082 63.082 61.629 1.453 18487 10055 1 20 . 1 1 42 42 THR CB C 42 69.264 69.264 69.803 -0.539 18487 10056 1 20 . 1 1 42 42 THR H H 42 8.205 8.205 7.842 0.363 18487 10057 1 20 . 1 1 43 43 ARG N N 43 126.367 126.367 121.918 4.449 18487 10058 1 20 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.536 -0.387 18487 10059 1 20 . 1 1 43 43 ARG CA C 43 57.433 57.433 56.263 1.170 18487 10060 1 20 . 1 1 43 43 ARG CB C 43 28.927 28.927 30.090 -1.163 18487 10061 1 20 . 1 1 43 43 ARG H H 43 8.885 8.885 8.531 0.354 18487 10062 1 20 . 1 1 44 44 GLY N N 44 116.299 116.299 111.334 4.965 18487 10063 1 20 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.952 -0.076 18487 10064 1 20 . 1 1 44 44 GLY H H 44 9.999 9.999 8.514 1.485 18487 10065 1 20 . 1 1 45 45 SER N N 45 117.374 117.374 115.626 1.748 18487 10066 1 20 . 1 1 45 45 SER HA H 45 4.316 4.316 4.436 -0.120 18487 10067 1 20 . 1 1 45 45 SER CA C 45 59.967 59.967 57.774 2.193 18487 10068 1 20 . 1 1 45 45 SER CB C 45 63.866 63.866 64.187 -0.321 18487 10069 1 20 . 1 1 45 45 SER H H 45 8.034 8.034 8.189 -0.155 18487 10070 1 20 . 1 1 46 46 LYS N N 46 124.024 124.024 120.406 3.618 18487 10071 1 20 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.622 -0.365 18487 10072 1 20 . 1 1 46 46 LYS CA C 46 56.302 56.302 54.537 1.765 18487 10073 1 20 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.146 -0.469 18487 10074 1 20 . 1 1 46 46 LYS H H 46 8.560 8.560 8.170 0.390 18487 10075 1 20 . 1 1 47 47 SER N N 47 119.851 119.851 115.922 3.929 18487 10076 1 20 . 1 1 47 47 SER HA H 47 4.824 4.824 4.415 0.409 18487 10077 1 20 . 1 1 47 47 SER CA C 47 57.920 57.920 58.973 -1.053 18487 10078 1 20 . 1 1 47 47 SER CB C 47 63.770 63.770 62.300 1.470 18487 10079 1 20 . 1 1 47 47 SER H H 47 8.663 8.663 8.506 0.157 18487 10080 1 20 . 1 1 48 48 ILE N N 48 124.054 124.054 128.958 -4.904 18487 10081 1 20 . 1 1 48 48 ILE HA H 48 4.357 4.357 3.989 0.368 18487 10082 1 20 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.328 -1.216 18487 10083 1 20 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.556 3.541 18487 10084 1 20 . 1 1 48 48 ILE H H 48 8.619 8.619 8.420 0.199 18487 10085 1 20 . 1 1 49 49 VAL N N 49 128.260 128.260 128.871 -0.611 18487 10086 1 20 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.331 0.401 18487 10087 1 20 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.731 -0.719 18487 10088 1 20 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.680 0.931 18487 10089 1 20 . 1 1 49 49 VAL H H 49 8.498 8.498 8.320 0.178 18487 10090 1 20 . 1 1 50 50 ILE N N 50 127.715 127.715 130.972 -3.257 18487 10091 1 20 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.346 0.157 18487 10092 1 20 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.384 1.106 18487 10093 1 20 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.029 2.434 18487 10094 1 20 . 1 1 50 50 ILE H H 50 9.236 9.236 9.040 0.196 18487 10095 1 20 . 1 1 51 51 LYS N N 51 127.422 127.422 127.289 0.133 18487 10096 1 20 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.745 -0.085 18487 10097 1 20 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.756 -0.206 18487 10098 1 20 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.958 -0.015 18487 10099 1 20 . 1 1 51 51 LYS H H 51 9.673 9.673 8.157 1.516 18487 10100 1 20 . 1 1 52 52 ASN N N 52 117.981 117.981 119.287 -1.306 18487 10101 1 20 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.722 -0.974 18487 10102 1 20 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.394 -0.227 18487 10103 1 20 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.895 -1.512 18487 10104 1 20 . 1 1 52 52 ASN H H 52 8.119 8.119 9.099 -0.980 18487 10105 1 20 . 1 1 53 53 THR N N 53 105.425 105.425 111.685 -6.260 18487 10106 1 20 . 1 1 53 53 THR HA H 53 4.218 4.218 4.223 -0.005 18487 10107 1 20 . 1 1 53 53 THR CA C 53 60.619 60.619 62.818 -2.199 18487 10108 1 20 . 1 1 53 53 THR CB C 53 69.221 69.221 68.698 0.523 18487 10109 1 20 . 1 1 53 53 THR H H 53 6.908 6.908 8.032 -1.124 18487 10110 1 20 . 1 1 54 54 ASP N N 54 125.547 125.547 124.749 0.798 18487 10111 1 20 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.784 0.182 18487 10112 1 20 . 1 1 54 54 ASP CA C 54 53.513 53.513 54.466 -0.953 18487 10113 1 20 . 1 1 54 54 ASP CB C 54 39.956 39.956 39.469 0.487 18487 10114 1 20 . 1 1 54 54 ASP H H 54 7.811 7.811 7.748 0.063 18487 10115 1 20 . 1 1 55 55 GLU N N 55 123.946 123.946 121.966 1.980 18487 10116 1 20 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.839 -0.016 18487 10117 1 20 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.578 0.546 18487 10118 1 20 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.755 0.177 18487 10119 1 20 . 1 1 55 55 GLU H H 55 7.919 7.919 7.886 0.033 18487 10120 1 20 . 1 1 56 56 ASN N N 56 115.295 115.295 118.060 -2.765 18487 10121 1 20 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.474 0.080 18487 10122 1 20 . 1 1 56 56 ASN CA C 56 56.108 56.108 56.129 -0.021 18487 10123 1 20 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.837 0.430 18487 10124 1 20 . 1 1 56 56 ASN H H 56 8.728 8.728 8.642 0.086 18487 10125 1 20 . 1 1 57 57 LEU N N 57 120.223 120.223 119.667 0.556 18487 10126 1 20 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.341 -0.106 18487 10127 1 20 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.003 0.586 18487 10128 1 20 . 1 1 57 57 LEU CB C 57 42.912 42.912 42.073 0.839 18487 10129 1 20 . 1 1 57 57 LEU H H 57 7.621 7.621 7.570 0.051 18487 10130 1 20 . 1 1 58 58 ILE N N 58 120.489 120.489 118.421 2.068 18487 10131 1 20 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.734 -0.198 18487 10132 1 20 . 1 1 58 58 ILE CA C 58 66.339 66.339 65.062 1.277 18487 10133 1 20 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.837 0.557 18487 10134 1 20 . 1 1 58 58 ILE H H 58 8.461 8.461 8.145 0.316 18487 10135 1 20 . 1 1 59 59 ASN N N 59 114.873 114.873 116.572 -1.699 18487 10136 1 20 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.504 -0.026 18487 10137 1 20 . 1 1 59 59 ASN CA C 59 54.955 54.955 54.943 0.012 18487 10138 1 20 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.156 -0.121 18487 10139 1 20 . 1 1 59 59 ASN H H 59 7.958 7.958 8.177 -0.219 18487 10140 1 20 . 1 1 60 60 HIS N N 60 115.059 115.059 115.596 -0.537 18487 10141 1 20 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.560 0.208 18487 10142 1 20 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.326 -0.989 18487 10143 1 20 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.721 -0.905 18487 10144 1 20 . 1 1 60 60 HIS H H 60 7.633 7.633 7.467 0.166 18487 10145 1 20 . 1 1 61 61 SER N N 61 115.447 115.447 113.441 2.006 18487 10146 1 20 . 1 1 61 61 SER HA H 61 5.135 5.135 4.834 0.301 18487 10147 1 20 . 1 1 61 61 SER CA C 61 56.072 56.072 56.197 -0.125 18487 10148 1 20 . 1 1 61 61 SER CB C 61 63.806 63.806 63.942 -0.136 18487 10149 1 20 . 1 1 61 61 SER H H 61 7.849 7.849 7.719 0.130 18487 10150 1 20 . 1 1 62 62 LYS N N 62 132.090 132.090 130.132 1.958 18487 10151 1 20 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.332 -0.288 18487 10152 1 20 . 1 1 62 62 LYS CA C 62 59.545 59.545 58.390 1.155 18487 10153 1 20 . 1 1 62 62 LYS CB C 62 31.539 31.539 31.982 -0.443 18487 10154 1 20 . 1 1 62 62 LYS H H 62 9.021 9.021 8.967 0.054 18487 10155 1 20 . 1 1 63 63 LEU N N 63 118.793 118.793 119.641 -0.848 18487 10156 1 20 . 1 1 63 63 LEU HA H 63 4.126 4.126 3.982 0.144 18487 10157 1 20 . 1 1 63 63 LEU CA C 63 57.650 57.650 58.216 -0.566 18487 10158 1 20 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.605 0.174 18487 10159 1 20 . 1 1 63 63 LEU H H 63 8.567 8.567 8.171 0.396 18487 10160 1 20 . 1 1 64 64 ALA N N 64 118.752 118.752 120.498 -1.746 18487 10161 1 20 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.881 -0.261 18487 10162 1 20 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.257 -0.200 18487 10163 1 20 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.308 0.276 18487 10164 1 20 . 1 1 64 64 ALA H H 64 7.645 7.645 7.482 0.163 18487 10165 1 20 . 1 1 65 65 GLN N N 65 115.176 115.176 117.786 -2.610 18487 10166 1 20 . 1 1 65 65 GLN HA H 65 3.946 3.946 4.026 -0.080 18487 10167 1 20 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.106 0.151 18487 10168 1 20 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.601 -0.001 18487 10169 1 20 . 1 1 65 65 GLN H H 65 8.539 8.539 8.033 0.506 18487 10170 1 20 . 1 1 66 66 GLN N N 66 115.801 115.801 118.376 -2.575 18487 10171 1 20 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.142 -0.076 18487 10172 1 20 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.222 0.338 18487 10173 1 20 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.380 1.117 18487 10174 1 20 . 1 1 66 66 GLN H H 66 8.125 8.125 7.900 0.225 18487 10175 1 20 . 1 1 67 67 ILE N N 67 119.874 119.874 120.606 -0.732 18487 10176 1 20 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.626 -0.289 18487 10177 1 20 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.348 0.695 18487 10178 1 20 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.745 -0.827 18487 10179 1 20 . 1 1 67 67 ILE H H 67 8.281 8.281 8.040 0.241 18487 10180 1 20 . 1 1 68 68 PHE N N 68 114.873 114.873 117.320 -2.447 18487 10181 1 20 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.533 -0.038 18487 10182 1 20 . 1 1 68 68 PHE CA C 68 60.691 60.691 61.129 -0.438 18487 10183 1 20 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.462 -0.814 18487 10184 1 20 . 1 1 68 68 PHE H H 68 8.255 8.255 8.163 0.092 18487 10185 1 20 . 1 1 69 69 LEU N N 69 117.763 117.763 120.586 -2.823 18487 10186 1 20 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.142 0.153 18487 10187 1 20 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.677 -0.341 18487 10188 1 20 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.130 0.998 18487 10189 1 20 . 1 1 69 69 LEU H H 69 7.747 7.747 7.688 0.059 18487 10190 1 20 . 1 1 70 70 GLN N N 70 115.040 115.040 116.117 -1.077 18487 10191 1 20 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.289 0.023 18487 10192 1 20 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.681 -0.451 18487 10193 1 20 . 1 1 70 70 GLN CB C 70 30.022 30.022 30.339 -0.317 18487 10194 1 20 . 1 1 70 70 GLN H H 70 8.308 8.308 8.125 0.183 18487 10195 1 20 . 1 1 71 71 CYS N N 71 115.881 115.881 118.373 -2.492 18487 10196 1 20 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.871 0.087 18487 10197 1 20 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.783 -0.382 18487 10198 1 20 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.133 -0.398 18487 10199 1 20 . 1 1 71 71 CYS H H 71 8.242 8.242 7.816 0.426 18487 10200 1 20 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.698 -0.135 18487 10201 1 20 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.688 0.321 18487 10202 1 20 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.194 -0.783 18487 10203 1 20 . 1 1 73 73 GLY N N 73 106.975 106.975 107.475 -0.500 18487 10204 1 20 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.758 0.520 18487 10205 1 20 . 1 1 73 73 GLY H H 73 8.657 8.657 8.401 0.256 18487 10206 1 20 . 1 1 74 74 VAL N N 74 119.448 119.448 121.347 -1.899 18487 10207 1 20 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.771 0.209 18487 10208 1 20 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.846 -0.045 18487 10209 1 20 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.363 0.137 18487 10210 1 20 . 1 1 74 74 VAL H H 74 7.747 7.747 7.237 0.510 18487 10211 1 20 . 1 1 75 75 GLU N N 75 129.063 129.063 126.872 2.191 18487 10212 1 20 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.456 0.011 18487 10213 1 20 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.175 -0.145 18487 10214 1 20 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.185 0.427 18487 10215 1 20 . 1 1 75 75 GLU H H 75 8.994 8.994 8.617 0.377 18487 10216 1 20 . 1 1 76 76 SER N N 76 110.068 110.068 112.043 -1.975 18487 10217 1 20 . 1 1 76 76 SER HA H 76 5.283 5.283 5.264 0.019 18487 10218 1 20 . 1 1 76 76 SER CA C 76 57.395 57.395 57.416 -0.021 18487 10219 1 20 . 1 1 76 76 SER CB C 76 65.281 65.281 65.783 -0.502 18487 10220 1 20 . 1 1 76 76 SER H H 76 8.306 8.306 7.879 0.427 18487 10221 1 20 . 1 1 77 77 LEU N N 77 117.334 117.334 122.905 -5.571 18487 10222 1 20 . 1 1 77 77 LEU HA H 77 5.401 5.401 5.153 0.248 18487 10223 1 20 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.773 -0.192 18487 10224 1 20 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.912 0.261 18487 10225 1 20 . 1 1 77 77 LEU H H 77 9.250 9.250 9.217 0.033 18487 10226 1 20 . 1 1 78 78 MET N N 78 121.119 121.119 123.546 -2.427 18487 10227 1 20 . 1 1 78 78 MET HA H 78 5.367 5.367 5.128 0.239 18487 10228 1 20 . 1 1 78 78 MET CA C 78 53.966 53.966 54.041 -0.075 18487 10229 1 20 . 1 1 78 78 MET CB C 78 36.374 36.374 34.888 1.486 18487 10230 1 20 . 1 1 78 78 MET H H 78 9.333 9.333 8.695 0.638 18487 10231 1 20 . 1 1 79 79 ILE N N 79 127.512 127.512 127.556 -0.044 18487 10232 1 20 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.313 -0.321 18487 10233 1 20 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.311 2.315 18487 10234 1 20 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.218 2.169 18487 10235 1 20 . 1 1 79 79 ILE H H 79 9.396 9.396 8.786 0.610 18487 10236 1 20 . 1 1 80 80 GLY N N 80 117.437 117.437 113.167 4.270 18487 10237 1 20 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.002 0.608 18487 10238 1 20 . 1 1 80 80 GLY H H 80 7.916 7.916 7.679 0.237 18487 10239 1 20 . 1 1 81 81 ASP N N 81 118.860 118.860 119.298 -0.438 18487 10240 1 20 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.584 0.089 18487 10241 1 20 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.783 -2.749 18487 10242 1 20 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.111 -1.437 18487 10243 1 20 . 1 1 81 81 ASP H H 81 7.983 7.983 8.371 -0.388 18487 10244 1 20 . 1 1 82 82 ASP N N 82 118.682 118.682 115.471 3.211 18487 10245 1 20 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.666 0.153 18487 10246 1 20 . 1 1 82 82 ASP CA C 82 52.138 52.138 55.792 -3.654 18487 10247 1 20 . 1 1 82 82 ASP CB C 82 40.994 40.994 42.114 -1.120 18487 10248 1 20 . 1 1 82 82 ASP H H 82 9.164 9.164 8.634 0.530 18487 10249 1 20 . 1 1 83 83 PHE N N 83 110.898 110.898 115.829 -4.931 18487 10250 1 20 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.597 0.253 18487 10251 1 20 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.059 -0.094 18487 10252 1 20 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.808 0.938 18487 10253 1 20 . 1 1 83 83 PHE H H 83 6.887 6.887 7.330 -0.443 18487 10254 1 20 . 1 1 84 84 LEU N N 84 121.119 121.119 121.596 -0.477 18487 10255 1 20 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.249 -0.016 18487 10256 1 20 . 1 1 84 84 LEU CA C 84 52.966 52.966 54.121 -1.155 18487 10257 1 20 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.867 1.541 18487 10258 1 20 . 1 1 84 84 LEU H H 84 9.118 9.118 8.923 0.195 18487 10259 1 20 . 1 1 85 85 THR N N 85 125.430 125.430 125.335 0.095 18487 10260 1 20 . 1 1 85 85 THR HA H 85 5.639 5.639 5.205 0.434 18487 10261 1 20 . 1 1 85 85 THR CA C 85 61.743 61.743 62.259 -0.516 18487 10262 1 20 . 1 1 85 85 THR CB C 85 69.835 69.835 69.451 0.384 18487 10263 1 20 . 1 1 85 85 THR H H 85 9.780 9.780 8.963 0.817 18487 10264 1 20 . 1 1 86 86 ILE N N 86 126.778 126.778 129.157 -2.379 18487 10265 1 20 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.323 0.388 18487 10266 1 20 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.585 -1.880 18487 10267 1 20 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.000 2.344 18487 10268 1 20 . 1 1 86 86 ILE H H 86 9.151 9.151 8.797 0.354 18487 10269 1 20 . 1 1 87 87 ASN N N 87 124.785 124.785 128.736 -3.951 18487 10270 1 20 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.511 0.515 18487 10271 1 20 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.313 -0.281 18487 10272 1 20 . 1 1 87 87 ASN CB C 87 39.679 39.679 40.713 -1.034 18487 10273 1 20 . 1 1 87 87 ASN H H 87 8.680 8.680 8.930 -0.250 18487 10274 1 20 . 1 1 88 88 LYS N N 88 122.617 122.617 122.622 -0.005 18487 10275 1 20 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.901 0.338 18487 10276 1 20 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.591 -0.077 18487 10277 1 20 . 1 1 88 88 LYS CB C 88 36.255 36.255 35.913 0.342 18487 10278 1 20 . 1 1 88 88 LYS H H 88 9.361 9.361 8.026 1.335 18487 10279 1 20 . 1 1 89 89 ASP N N 89 121.211 121.211 119.748 1.463 18487 10280 1 20 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.528 -0.067 18487 10281 1 20 . 1 1 89 89 ASP CA C 89 53.895 53.895 54.920 -1.025 18487 10282 1 20 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.088 0.656 18487 10283 1 20 . 1 1 89 89 ASP H H 89 8.454 8.454 8.072 0.382 18487 10284 1 20 . 1 1 90 90 ARG N N 90 124.551 124.551 126.445 -1.894 18487 10285 1 20 . 1 1 90 90 ARG HA H 90 4.074 4.074 3.961 0.113 18487 10286 1 20 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.283 -0.174 18487 10287 1 20 . 1 1 90 90 ARG CB C 90 29.895 29.895 30.096 -0.201 18487 10288 1 20 . 1 1 90 90 ARG H H 90 8.475 8.475 8.742 -0.267 18487 10289 1 20 . 1 1 91 91 MET N N 91 115.821 115.821 117.349 -1.528 18487 10290 1 20 . 1 1 91 91 MET HA H 91 4.424 4.424 4.276 0.148 18487 10291 1 20 . 1 1 91 91 MET CA C 91 55.206 55.206 54.996 0.210 18487 10292 1 20 . 1 1 91 91 MET CB C 91 31.307 31.307 32.283 -0.976 18487 10293 1 20 . 1 1 91 91 MET H H 91 8.725 8.725 7.697 1.028 18487 10294 1 20 . 1 1 92 92 VAL N N 92 119.922 119.922 118.081 1.841 18487 10295 1 20 . 1 1 92 92 VAL HA H 92 4.106 4.106 4.027 0.079 18487 10296 1 20 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.914 -0.856 18487 10297 1 20 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.627 0.517 18487 10298 1 20 . 1 1 92 92 VAL H H 92 7.348 7.348 7.335 0.013 18487 10299 1 20 . 1 1 93 93 HIS N N 93 125.619 125.619 121.595 4.024 18487 10300 1 20 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.768 -0.172 18487 10301 1 20 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.233 0.161 18487 10302 1 20 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.221 -0.563 18487 10303 1 20 . 1 1 93 93 HIS H H 93 8.851 8.851 8.380 0.471 18487 10304 1 20 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.440 0.560 18487 10305 1 20 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.052 -0.052 18487 10306 1 20 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.354 0.646 18487 10307 1 20 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.463 0.234 18487 10308 1 20 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.783 0.244 18487 10309 1 20 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.348 -1.197 18487 10310 1 20 . 1 1 96 96 SER N N 96 113.047 113.047 112.483 0.564 18487 10311 1 20 . 1 1 96 96 SER HA H 96 4.628 4.628 4.612 0.016 18487 10312 1 20 . 1 1 96 96 SER CA C 96 60.183 60.183 59.274 0.909 18487 10313 1 20 . 1 1 96 96 SER CB C 96 63.901 63.901 64.222 -0.322 18487 10314 1 20 . 1 1 96 96 SER H H 96 8.064 8.064 7.679 0.385 18487 10315 1 20 . 1 1 97 97 ILE N N 97 116.621 116.621 121.676 -5.055 18487 10316 1 20 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.212 0.430 18487 10317 1 20 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.121 -0.343 18487 10318 1 20 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.745 3.682 18487 10319 1 20 . 1 1 97 97 ILE H H 97 7.705 7.705 7.352 0.353 18487 10320 1 20 . 1 1 98 98 LYS N N 98 120.198 120.198 121.328 -1.130 18487 10321 1 20 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.405 -0.148 18487 10322 1 20 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.223 0.490 18487 10323 1 20 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.971 0.002 18487 10324 1 20 . 1 1 98 98 LYS H H 98 9.132 9.132 8.317 0.815 18487 10325 1 20 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.331 -0.047 18487 10326 1 20 . 1 1 99 99 PRO CA C 99 66.334 66.334 66.086 0.248 18487 10327 1 20 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.066 -0.665 18487 10328 1 20 . 1 1 100 100 GLU N N 100 117.097 117.097 118.002 -0.905 18487 10329 1 20 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.128 0.024 18487 10330 1 20 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.279 0.540 18487 10331 1 20 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.855 0.561 18487 10332 1 20 . 1 1 100 100 GLU H H 100 7.447 7.447 7.752 -0.305 18487 10333 1 20 . 1 1 101 101 ILE N N 101 118.326 118.326 121.142 -2.816 18487 10334 1 20 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.472 -0.108 18487 10335 1 20 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.700 -2.339 18487 10336 1 20 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.500 -1.651 18487 10337 1 20 . 1 1 101 101 ILE H H 101 7.896 7.896 7.730 0.166 18487 10338 1 20 . 1 1 102 102 ILE N N 102 118.368 118.368 119.784 -1.416 18487 10339 1 20 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.499 -0.091 18487 10340 1 20 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.512 0.734 18487 10341 1 20 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.568 -0.328 18487 10342 1 20 . 1 1 102 102 ILE H H 102 8.243 8.243 7.932 0.311 18487 10343 1 20 . 1 1 103 103 ASP N N 103 122.381 122.381 120.074 2.307 18487 10344 1 20 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.366 0.012 18487 10345 1 20 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.507 0.475 18487 10346 1 20 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.886 0.647 18487 10347 1 20 . 1 1 103 103 ASP H H 103 7.900 7.900 7.742 0.158 18487 10348 1 20 . 1 1 104 104 LEU N N 104 119.007 119.007 120.406 -1.399 18487 10349 1 20 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.980 0.018 18487 10350 1 20 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.844 -0.105 18487 10351 1 20 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.933 0.209 18487 10352 1 20 . 1 1 104 104 LEU H H 104 8.261 8.261 7.944 0.317 18487 10353 1 20 . 1 1 105 105 LEU N N 105 120.443 120.443 117.994 2.449 18487 10354 1 20 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.054 -0.067 18487 10355 1 20 . 1 1 105 105 LEU CA C 105 57.501 57.501 57.831 -0.330 18487 10356 1 20 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.022 1.065 18487 10357 1 20 . 1 1 105 105 LEU H H 105 9.022 9.022 8.321 0.701 18487 10358 1 20 . 1 1 106 106 THR N N 106 114.821 114.821 115.460 -0.639 18487 10359 1 20 . 1 1 106 106 THR HA H 106 3.698 3.698 4.041 -0.343 18487 10360 1 20 . 1 1 106 106 THR CA C 106 67.610 67.610 66.597 1.013 18487 10361 1 20 . 1 1 106 106 THR CB C 106 68.325 68.325 68.766 -0.441 18487 10362 1 20 . 1 1 106 106 THR H H 106 8.273 8.273 7.675 0.598 18487 10363 1 20 . 1 1 107 107 LYS N N 107 120.049 120.049 120.964 -0.915 18487 10364 1 20 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.894 0.013 18487 10365 1 20 . 1 1 107 107 LYS CA C 107 59.455 59.455 59.318 0.137 18487 10366 1 20 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.713 0.649 18487 10367 1 20 . 1 1 107 107 LYS H H 107 7.691 7.691 7.782 -0.091 18487 10368 1 20 . 1 1 108 108 GLN N N 108 118.375 118.375 119.889 -1.514 18487 10369 1 20 . 1 1 108 108 GLN HA H 108 4.018 4.018 3.508 0.510 18487 10370 1 20 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.475 -0.492 18487 10371 1 20 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.598 -0.943 18487 10372 1 20 . 1 1 108 108 GLN H H 108 7.888 7.888 7.647 0.241 18487 10373 1 20 . 1 1 109 109 LEU N N 109 118.066 118.066 117.512 0.554 18487 10374 1 20 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.372 -0.190 18487 10375 1 20 . 1 1 109 109 LEU CA C 109 56.467 56.467 55.949 0.518 18487 10376 1 20 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.597 0.213 18487 10377 1 20 . 1 1 109 109 LEU H H 109 8.269 8.269 7.387 0.882 18487 10378 1 20 . 1 1 110 110 ALA N N 110 120.909 120.909 120.761 0.148 18487 10379 1 20 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.054 -0.022 18487 10380 1 20 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.615 -0.375 18487 10381 1 20 . 1 1 110 110 ALA CB C 110 18.667 18.667 19.015 -0.348 18487 10382 1 20 . 1 1 110 110 ALA H H 110 8.171 8.171 7.375 0.796 18487 10383 1 20 . 1 1 111 111 TYR N N 111 114.611 114.611 114.268 0.343 18487 10384 1 20 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.892 -0.250 18487 10385 1 20 . 1 1 111 111 TYR CA C 111 57.927 57.927 56.456 1.470 18487 10386 1 20 . 1 1 111 111 TYR CB C 111 38.472 38.472 39.670 -1.198 18487 10387 1 20 . 1 1 111 111 TYR H H 111 7.763 7.763 7.089 0.674 18487 10388 1 20 . 1 1 112 112 GLY N N 112 107.916 107.916 108.636 -0.720 18487 10389 1 20 . 1 1 112 112 GLY CA C 112 46.208 46.208 43.612 2.596 18487 10390 1 20 . 1 1 112 112 GLY H H 112 7.941 7.941 7.697 0.244 18487 10391 1 20 . 1 1 113 113 GLU N N 113 119.571 119.571 118.554 1.017 18487 10392 1 20 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.467 -0.077 18487 10393 1 20 . 1 1 113 113 GLU CA C 113 56.025 56.025 56.957 -0.932 18487 10394 1 20 . 1 1 113 113 GLU CB C 113 30.403 30.403 30.794 -0.391 18487 10395 1 20 . 1 1 113 113 GLU H H 113 8.166 8.166 8.724 -0.558 18487 10396 1 20 . 1 1 114 114 ASP N N 114 121.457 121.457 117.761 3.696 18487 10397 1 20 . 1 1 114 114 ASP HA H 114 4.625 4.625 5.120 -0.495 18487 10398 1 20 . 1 1 114 114 ASP CA C 114 55.075 55.075 52.950 2.124 18487 10399 1 20 . 1 1 114 114 ASP CB C 114 40.997 40.997 44.063 -3.066 18487 10400 1 20 . 1 1 114 114 ASP H H 114 8.560 8.560 7.736 0.824 18487 10401 1 20 . 1 1 115 115 VAL N N 115 120.645 120.645 120.003 0.642 18487 10402 1 20 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.294 -0.215 18487 10403 1 20 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.262 -0.744 18487 10404 1 20 . 1 1 115 115 VAL CB C 115 31.833 31.833 33.044 -1.211 18487 10405 1 20 . 1 1 115 115 VAL H H 115 8.659 8.659 8.201 0.458 18487 10406 1 20 . 1 1 116 116 ILE N N 116 120.775 120.775 116.699 4.076 18487 10407 1 20 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.267 0.396 18487 10408 1 20 . 1 1 116 116 ILE CA C 116 59.736 59.736 61.448 -1.712 18487 10409 1 20 . 1 1 116 116 ILE CB C 116 39.798 39.798 39.230 0.569 18487 10410 1 20 . 1 1 116 116 ILE H H 116 7.881 7.881 8.121 -0.240 18487 10411 1 20 . 1 1 117 117 SER N N 117 121.192 121.192 112.661 8.531 18487 10412 1 20 . 1 1 117 117 SER HA H 117 4.641 4.641 4.161 0.480 18487 10413 1 20 . 1 1 117 117 SER CA C 117 57.846 57.846 59.130 -1.284 18487 10414 1 20 . 1 1 117 117 SER CB C 117 63.962 63.962 62.600 1.362 18487 10415 1 20 . 1 1 117 117 SER H H 117 8.767 8.767 8.461 0.305 18487 10416 1 20 . 1 1 118 118 LYS N N 118 124.317 124.317 121.295 3.022 18487 10417 1 20 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.268 0.088 18487 10418 1 20 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.156 0.381 18487 10419 1 20 . 1 1 118 118 LYS CB C 118 33.050 33.050 31.479 1.571 18487 10420 1 20 . 1 1 118 118 LYS H H 118 8.633 8.633 8.173 0.460 18487 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 103 2.608 0.496 2.573 18487 2 1 1 "Average Difference" HA 104 0.257 -0.045 0.254 18487 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18487 4 1 1 "Average Difference" CA 108 1.099 0.070 1.102 18487 5 1 1 "Average Difference" CB 103 1.126 -0.098 1.127 18487 6 1 1 "Average Difference" HN 103 0.498 -0.261 0.426 18487 7 1 2 "Average Difference" N 103 2.485 0.650 2.410 18487 8 1 2 "Average Difference" HA 104 0.288 -0.068 0.281 18487 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18487 10 1 2 "Average Difference" CA 108 1.136 0.030 1.141 18487 11 1 2 "Average Difference" CB 103 1.214 -0.087 1.217 18487 12 1 2 "Average Difference" HN 103 0.500 -0.248 0.436 18487 13 1 3 "Average Difference" N 103 2.732 0.587 2.681 18487 14 1 3 "Average Difference" HA 104 0.273 -0.067 0.266 18487 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18487 16 1 3 "Average Difference" CA 108 1.138 0.209 1.124 18487 17 1 3 "Average Difference" CB 103 1.209 -0.134 1.207 18487 18 1 3 "Average Difference" HN 103 0.519 -0.252 0.455 18487 19 1 4 "Average Difference" N 103 3.074 0.640 3.022 18487 20 1 4 "Average Difference" HA 104 0.260 -0.073 0.250 18487 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18487 22 1 4 "Average Difference" CA 108 0.992 0.117 0.990 18487 23 1 4 "Average Difference" CB 103 1.081 -0.099 1.082 18487 24 1 4 "Average Difference" HN 103 0.489 -0.253 0.420 18487 25 1 5 "Average Difference" N 103 2.998 0.624 2.947 18487 26 1 5 "Average Difference" HA 104 0.285 -0.084 0.273 18487 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18487 28 1 5 "Average Difference" CA 108 1.002 0.105 1.001 18487 29 1 5 "Average Difference" CB 103 1.175 -0.086 1.177 18487 30 1 5 "Average Difference" HN 103 0.511 -0.247 0.450 18487 31 1 6 "Average Difference" N 103 2.388 0.783 2.267 18487 32 1 6 "Average Difference" HA 104 0.282 -0.066 0.275 18487 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18487 34 1 6 "Average Difference" CA 108 0.998 0.068 1.000 18487 35 1 6 "Average Difference" CB 103 1.140 -0.179 1.131 18487 36 1 6 "Average Difference" HN 103 0.482 -0.264 0.405 18487 37 1 7 "Average Difference" N 103 2.511 0.691 2.426 18487 38 1 7 "Average Difference" HA 104 0.260 -0.076 0.250 18487 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18487 40 1 7 "Average Difference" CA 108 1.118 0.148 1.114 18487 41 1 7 "Average Difference" CB 103 1.153 -0.139 1.150 18487 42 1 7 "Average Difference" HN 103 0.507 -0.230 0.455 18487 43 1 8 "Average Difference" N 103 2.685 0.687 2.608 18487 44 1 8 "Average Difference" HA 104 0.262 -0.083 0.250 18487 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18487 46 1 8 "Average Difference" CA 108 1.098 0.133 1.095 18487 47 1 8 "Average Difference" CB 103 1.144 -0.176 1.136 18487 48 1 8 "Average Difference" HN 103 0.516 -0.248 0.455 18487 49 1 9 "Average Difference" N 103 2.669 0.717 2.583 18487 50 1 9 "Average Difference" HA 104 0.283 -0.071 0.275 18487 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18487 52 1 9 "Average Difference" CA 108 1.049 0.135 1.045 18487 53 1 9 "Average Difference" CB 103 1.285 -0.271 1.262 18487 54 1 9 "Average Difference" HN 103 0.495 -0.219 0.446 18487 55 1 10 "Average Difference" N 103 2.695 0.692 2.617 18487 56 1 10 "Average Difference" HA 104 0.286 -0.063 0.280 18487 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18487 58 1 10 "Average Difference" CA 108 1.024 0.101 1.023 18487 59 1 10 "Average Difference" CB 103 1.234 -0.090 1.237 18487 60 1 10 "Average Difference" HN 103 0.505 -0.235 0.449 18487 61 1 11 "Average Difference" N 103 2.451 0.861 2.306 18487 62 1 11 "Average Difference" HA 104 0.321 -0.064 0.316 18487 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18487 64 1 11 "Average Difference" CA 108 0.984 0.157 0.976 18487 65 1 11 "Average Difference" CB 103 1.042 -0.139 1.038 18487 66 1 11 "Average Difference" HN 103 0.514 -0.248 0.452 18487 67 1 12 "Average Difference" N 103 2.697 0.602 2.641 18487 68 1 12 "Average Difference" HA 104 0.248 -0.025 0.248 18487 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18487 70 1 12 "Average Difference" CA 108 0.941 0.023 0.945 18487 71 1 12 "Average Difference" CB 103 1.128 -0.064 1.131 18487 72 1 12 "Average Difference" HN 103 0.518 -0.245 0.459 18487 73 1 13 "Average Difference" N 103 2.959 0.482 2.933 18487 74 1 13 "Average Difference" HA 104 0.288 -0.056 0.284 18487 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18487 76 1 13 "Average Difference" CA 108 1.216 0.138 1.214 18487 77 1 13 "Average Difference" CB 103 1.258 -0.050 1.263 18487 78 1 13 "Average Difference" HN 103 0.516 -0.249 0.455 18487 79 1 14 "Average Difference" N 103 2.486 0.515 2.444 18487 80 1 14 "Average Difference" HA 104 0.288 -0.066 0.282 18487 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18487 82 1 14 "Average Difference" CA 108 1.037 0.103 1.036 18487 83 1 14 "Average Difference" CB 103 1.224 -0.101 1.226 18487 84 1 14 "Average Difference" HN 103 0.484 -0.253 0.414 18487 85 1 15 "Average Difference" N 103 2.824 0.573 2.779 18487 86 1 15 "Average Difference" HA 104 0.265 -0.086 0.252 18487 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18487 88 1 15 "Average Difference" CA 108 1.012 -0.005 1.017 18487 89 1 15 "Average Difference" CB 103 1.183 -0.285 1.154 18487 90 1 15 "Average Difference" HN 103 0.516 -0.271 0.442 18487 91 1 16 "Average Difference" N 103 2.784 0.702 2.707 18487 92 1 16 "Average Difference" HA 104 0.268 -0.075 0.259 18487 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18487 94 1 16 "Average Difference" CA 108 1.010 0.131 1.006 18487 95 1 16 "Average Difference" CB 103 1.115 -0.119 1.114 18487 96 1 16 "Average Difference" HN 103 0.494 -0.254 0.425 18487 97 1 17 "Average Difference" N 103 2.472 0.775 2.359 18487 98 1 17 "Average Difference" HA 104 0.256 -0.055 0.251 18487 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18487 100 1 17 "Average Difference" CA 108 1.000 0.123 0.997 18487 101 1 17 "Average Difference" CB 103 1.200 -0.099 1.202 18487 102 1 17 "Average Difference" HN 103 0.513 -0.283 0.430 18487 103 1 18 "Average Difference" N 103 3.020 0.636 2.967 18487 104 1 18 "Average Difference" HA 104 0.280 -0.076 0.271 18487 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18487 106 1 18 "Average Difference" CA 108 1.156 0.173 1.148 18487 107 1 18 "Average Difference" CB 103 1.207 -0.256 1.185 18487 108 1 18 "Average Difference" HN 103 0.543 -0.261 0.479 18487 109 1 19 "Average Difference" N 103 2.889 0.575 2.845 18487 110 1 19 "Average Difference" HA 104 0.267 -0.091 0.253 18487 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18487 112 1 19 "Average Difference" CA 108 0.991 0.094 0.991 18487 113 1 19 "Average Difference" CB 103 1.180 -0.183 1.172 18487 114 1 19 "Average Difference" HN 103 0.559 -0.301 0.474 18487 115 1 20 "Average Difference" N 103 2.951 0.393 2.939 18487 116 1 20 "Average Difference" HA 104 0.286 -0.079 0.276 18487 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18487 118 1 20 "Average Difference" CA 108 1.058 0.121 1.056 18487 119 1 20 "Average Difference" CB 103 1.127 -0.191 1.117 18487 120 1 20 "Average Difference" HN 103 0.507 -0.256 0.440 18487 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 18487 _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 10 10 HIS HA H 10 4.680 4.680 4.745 -0.065 18487 2 1 . 1 1 11 11 MET N N 11 120.918 120.918 124.000 -3.082 18487 3 1 . 1 1 11 11 MET HA H 11 4.435 4.435 4.592 -0.157 18487 4 1 . 1 1 11 11 MET CA C 11 55.736 55.736 55.045 0.691 18487 5 1 . 1 1 11 11 MET CB C 11 32.501 32.501 32.885 -0.384 18487 6 1 . 1 1 11 11 MET H H 11 8.289 8.289 8.429 -0.140 18487 7 1 . 1 1 12 12 ASN N N 12 120.356 120.356 123.178 -2.822 18487 8 1 . 1 1 12 12 ASN HA H 12 4.758 4.758 4.836 -0.078 18487 9 1 . 1 1 12 12 ASN CA C 12 53.488 53.488 53.301 0.187 18487 10 1 . 1 1 12 12 ASN CB C 12 38.576 38.576 38.951 -0.375 18487 11 1 . 1 1 12 12 ASN H H 12 8.583 8.583 8.564 0.019 18487 12 1 . 1 1 13 13 SER N N 13 116.582 116.582 117.888 -1.306 18487 13 1 . 1 1 13 13 SER HA H 13 4.378 4.378 4.507 -0.129 18487 14 1 . 1 1 13 13 SER CA C 13 58.842 58.842 58.313 0.529 18487 15 1 . 1 1 13 13 SER CB C 13 63.403 63.403 63.409 -0.006 18487 16 1 . 1 1 13 13 SER H H 13 8.319 8.319 8.482 -0.163 18487 17 1 . 1 1 14 14 GLN N N 14 121.369 121.369 122.916 -1.547 18487 18 1 . 1 1 14 14 GLN HA H 14 4.318 4.318 4.417 -0.099 18487 19 1 . 1 1 14 14 GLN CA C 14 56.099 56.099 55.552 0.547 18487 20 1 . 1 1 14 14 GLN CB C 14 28.944 28.944 29.382 -0.438 18487 21 1 . 1 1 14 14 GLN H H 14 8.365 8.365 8.192 0.173 18487 22 1 . 1 1 15 15 ARG N N 15 121.565 121.565 122.525 -0.960 18487 23 1 . 1 1 15 15 ARG HA H 15 4.314 4.314 4.458 -0.144 18487 24 1 . 1 1 15 15 ARG CA C 15 55.888 55.888 55.835 0.053 18487 25 1 . 1 1 15 15 ARG CB C 15 30.427 30.427 30.234 0.193 18487 26 1 . 1 1 15 15 ARG H H 15 8.084 8.084 8.411 -0.327 18487 27 1 . 1 1 16 16 LEU N N 16 123.810 123.810 120.208 3.602 18487 28 1 . 1 1 16 16 LEU HA H 16 4.343 4.343 4.603 -0.260 18487 29 1 . 1 1 16 16 LEU CA C 16 54.640 54.640 53.588 1.052 18487 30 1 . 1 1 16 16 LEU CB C 16 42.062 42.062 43.630 -1.568 18487 31 1 . 1 1 16 16 LEU H H 16 8.254 8.254 8.084 0.170 18487 32 1 . 1 1 17 17 ILE N N 17 122.996 122.996 121.968 1.028 18487 33 1 . 1 1 17 17 ILE HA H 17 4.154 4.154 4.125 0.029 18487 34 1 . 1 1 17 17 ILE CA C 17 60.214 60.214 60.776 -0.562 18487 35 1 . 1 1 17 17 ILE CB C 17 38.784 38.784 38.058 0.726 18487 36 1 . 1 1 17 17 ILE H H 17 8.006 8.006 8.133 -0.127 18487 37 1 . 1 1 18 18 HIS N N 18 126.123 126.123 127.118 -0.995 18487 38 1 . 1 1 18 18 HIS HA H 18 4.845 4.845 4.550 0.295 18487 39 1 . 1 1 18 18 HIS CA C 18 55.205 55.205 56.377 -1.172 18487 40 1 . 1 1 18 18 HIS CB C 18 30.197 30.197 30.241 -0.044 18487 41 1 . 1 1 18 18 HIS H H 18 9.025 9.025 8.423 0.602 18487 42 1 . 1 1 19 19 ILE N N 19 124.783 124.783 124.585 0.198 18487 43 1 . 1 1 19 19 ILE HA H 19 4.990 4.990 4.625 0.365 18487 44 1 . 1 1 19 19 ILE CA C 19 57.508 57.508 58.772 -1.264 18487 45 1 . 1 1 19 19 ILE CB C 19 38.350 38.350 39.158 -0.808 18487 46 1 . 1 1 19 19 ILE H H 19 8.485 8.485 8.364 0.121 18487 47 1 . 1 1 20 20 LYS N N 20 128.184 128.184 128.612 -0.428 18487 48 1 . 1 1 20 20 LYS HA H 20 4.759 4.759 4.585 0.174 18487 49 1 . 1 1 20 20 LYS CA C 20 54.129 54.129 55.120 -0.991 18487 50 1 . 1 1 20 20 LYS CB C 20 35.641 35.641 34.501 1.140 18487 51 1 . 1 1 20 20 LYS H H 20 9.253 9.253 8.755 0.498 18487 52 1 . 1 1 21 21 THR N N 21 114.649 114.649 121.508 -6.859 18487 53 1 . 1 1 21 21 THR HA H 21 4.930 4.930 4.524 0.406 18487 54 1 . 1 1 21 21 THR CA C 21 60.191 60.191 61.865 -1.674 18487 55 1 . 1 1 21 21 THR CB C 21 69.966 69.966 69.035 0.931 18487 56 1 . 1 1 21 21 THR H H 21 8.232 8.232 8.414 -0.182 18487 57 1 . 1 1 22 22 LEU N N 22 125.973 125.973 129.235 -3.262 18487 58 1 . 1 1 22 22 LEU HA H 22 4.679 4.679 4.633 0.046 18487 59 1 . 1 1 22 22 LEU CA C 22 53.753 53.753 53.436 0.317 18487 60 1 . 1 1 22 22 LEU CB C 22 45.134 45.134 44.605 0.529 18487 61 1 . 1 1 22 22 LEU H H 22 9.156 9.156 8.566 0.590 18487 62 1 . 1 1 23 23 THR N N 23 112.582 112.582 113.472 -0.890 18487 63 1 . 1 1 23 23 THR HA H 23 4.281 4.281 4.285 -0.004 18487 64 1 . 1 1 23 23 THR CA C 23 61.474 61.474 61.734 -0.260 18487 65 1 . 1 1 23 23 THR CB C 23 69.759 69.759 69.488 0.271 18487 66 1 . 1 1 23 23 THR H H 23 7.912 7.912 8.295 -0.383 18487 67 1 . 1 1 24 24 THR N N 24 112.952 112.952 115.123 -2.171 18487 68 1 . 1 1 24 24 THR HA H 24 5.040 5.040 4.727 0.313 18487 69 1 . 1 1 24 24 THR CA C 24 60.000 60.000 58.549 1.451 18487 70 1 . 1 1 24 24 THR CB C 24 69.872 69.872 69.623 0.249 18487 71 1 . 1 1 24 24 THR H H 24 8.793 8.793 8.133 0.660 18487 72 1 . 1 1 25 25 PRO HA H 25 4.445 4.445 4.377 0.068 18487 73 1 . 1 1 25 25 PRO CA C 25 64.322 64.322 63.722 0.600 18487 74 1 . 1 1 25 25 PRO CB C 25 31.580 31.580 31.698 -0.118 18487 75 1 . 1 1 26 26 ASN N N 26 115.534 115.534 118.496 -2.962 18487 76 1 . 1 1 26 26 ASN HA H 26 4.935 4.935 4.798 0.137 18487 77 1 . 1 1 26 26 ASN CA C 26 51.037 51.037 52.352 -1.315 18487 78 1 . 1 1 26 26 ASN CB C 26 39.722 39.722 39.901 -0.179 18487 79 1 . 1 1 26 26 ASN H H 26 7.774 7.774 7.949 -0.175 18487 80 1 . 1 1 27 27 GLU N N 27 127.099 127.099 123.582 3.517 18487 81 1 . 1 1 27 27 GLU HA H 27 4.410 4.410 4.208 0.202 18487 82 1 . 1 1 27 27 GLU CA C 27 58.958 58.958 58.579 0.379 18487 83 1 . 1 1 27 27 GLU CB C 27 29.105 29.105 29.791 -0.686 18487 84 1 . 1 1 27 27 GLU H H 27 9.428 9.428 8.868 0.560 18487 85 1 . 1 1 28 28 ASN N N 28 115.176 115.176 117.356 -2.180 18487 86 1 . 1 1 28 28 ASN HA H 28 4.986 4.986 4.757 0.229 18487 87 1 . 1 1 28 28 ASN CA C 28 53.784 53.784 54.430 -0.646 18487 88 1 . 1 1 28 28 ASN CB C 28 38.545 38.545 38.567 -0.022 18487 89 1 . 1 1 28 28 ASN H H 28 8.591 8.591 8.513 0.077 18487 90 1 . 1 1 29 29 ALA N N 29 123.317 123.317 121.106 2.211 18487 91 1 . 1 1 29 29 ALA HA H 29 6.376 6.376 5.549 0.827 18487 92 1 . 1 1 29 29 ALA CA C 29 51.310 51.310 50.791 0.519 18487 93 1 . 1 1 29 29 ALA CB C 29 22.158 22.158 21.664 0.493 18487 94 1 . 1 1 29 29 ALA H H 29 8.210 8.210 7.571 0.639 18487 95 1 . 1 1 30 30 LEU N N 30 124.426 124.426 122.936 1.490 18487 96 1 . 1 1 30 30 LEU HA H 30 4.508 4.508 4.376 0.132 18487 97 1 . 1 1 30 30 LEU CA C 30 53.660 53.660 54.503 -0.843 18487 98 1 . 1 1 30 30 LEU CB C 30 46.551 46.551 46.132 0.419 18487 99 1 . 1 1 30 30 LEU H H 30 8.550 8.550 8.253 0.297 18487 100 1 . 1 1 31 31 LYS N N 31 123.555 123.555 126.062 -2.507 18487 101 1 . 1 1 31 31 LYS HA H 31 5.139 5.139 4.789 0.350 18487 102 1 . 1 1 31 31 LYS CA C 31 55.083 55.083 55.395 -0.312 18487 103 1 . 1 1 31 31 LYS CB C 31 35.171 35.171 33.528 1.643 18487 104 1 . 1 1 31 31 LYS H H 31 8.169 8.169 8.051 0.118 18487 105 1 . 1 1 32 32 PHE N N 32 124.529 124.529 124.892 -0.363 18487 106 1 . 1 1 32 32 PHE HA H 32 4.975 4.975 4.948 0.027 18487 107 1 . 1 1 32 32 PHE CA C 32 56.474 56.474 56.949 -0.475 18487 108 1 . 1 1 32 32 PHE CB C 32 40.077 40.077 40.705 -0.628 18487 109 1 . 1 1 32 32 PHE H H 32 9.634 9.634 8.949 0.685 18487 110 1 . 1 1 33 33 LEU N N 33 122.712 122.712 125.998 -3.286 18487 111 1 . 1 1 33 33 LEU HA H 33 5.064 5.064 4.972 0.092 18487 112 1 . 1 1 33 33 LEU CA C 33 54.387 54.387 53.313 1.074 18487 113 1 . 1 1 33 33 LEU CB C 33 45.826 45.826 45.593 0.233 18487 114 1 . 1 1 33 33 LEU H H 33 9.174 9.174 8.938 0.236 18487 115 1 . 1 1 34 34 SER N N 34 117.120 117.120 122.617 -5.497 18487 116 1 . 1 1 34 34 SER HA H 34 5.116 5.116 4.807 0.309 18487 117 1 . 1 1 34 34 SER CA C 34 56.626 56.626 58.412 -1.786 18487 118 1 . 1 1 34 34 SER CB C 34 64.053 64.053 63.249 0.804 18487 119 1 . 1 1 34 34 SER H H 34 8.979 8.979 8.583 0.396 18487 120 1 . 1 1 35 35 THR N N 35 117.097 117.097 118.062 -0.965 18487 121 1 . 1 1 35 35 THR HA H 35 4.460 4.460 4.480 -0.020 18487 122 1 . 1 1 35 35 THR CA C 35 62.944 62.944 62.524 0.420 18487 123 1 . 1 1 35 35 THR CB C 35 69.779 69.779 69.516 0.263 18487 124 1 . 1 1 35 35 THR H H 35 8.646 8.646 8.373 0.273 18487 125 1 . 1 1 36 36 ASP N N 36 120.039 120.039 122.495 -2.456 18487 126 1 . 1 1 36 36 ASP HA H 36 4.855 4.855 4.609 0.246 18487 127 1 . 1 1 36 36 ASP CA C 36 54.741 54.741 54.921 -0.180 18487 128 1 . 1 1 36 36 ASP CB C 36 41.519 41.519 41.460 0.060 18487 129 1 . 1 1 36 36 ASP H H 36 8.711 8.711 8.065 0.646 18487 130 1 . 1 1 37 37 GLY N N 37 107.015 107.015 107.856 -0.841 18487 131 1 . 1 1 37 37 GLY CA C 37 45.629 45.629 45.216 0.413 18487 132 1 . 1 1 37 37 GLY H H 37 8.020 8.020 8.263 -0.243 18487 133 1 . 1 1 38 38 GLU N N 38 120.021 120.021 121.379 -1.358 18487 134 1 . 1 1 38 38 GLU HA H 38 4.278 4.278 4.446 -0.168 18487 135 1 . 1 1 38 38 GLU CA C 38 57.143 57.143 55.815 1.328 18487 136 1 . 1 1 38 38 GLU CB C 38 29.317 29.317 30.076 -0.759 18487 137 1 . 1 1 38 38 GLU H H 38 8.101 8.101 8.219 -0.118 18487 138 1 . 1 1 39 39 MET N N 39 121.372 121.372 121.390 -0.018 18487 139 1 . 1 1 39 39 MET HA H 39 4.799 4.799 4.593 0.206 18487 140 1 . 1 1 39 39 MET CA C 39 54.229 54.229 54.997 -0.768 18487 141 1 . 1 1 39 39 MET CB C 39 33.392 33.392 34.124 -0.732 18487 142 1 . 1 1 39 39 MET H H 39 8.571 8.571 8.305 0.266 18487 143 1 . 1 1 40 40 LEU N N 40 121.913 121.913 123.283 -1.370 18487 144 1 . 1 1 40 40 LEU HA H 40 4.259 4.259 4.269 -0.010 18487 145 1 . 1 1 40 40 LEU CA C 40 57.144 57.144 56.660 0.484 18487 146 1 . 1 1 40 40 LEU CB C 40 42.426 42.426 42.375 0.051 18487 147 1 . 1 1 40 40 LEU H H 40 8.572 8.572 8.460 0.111 18487 148 1 . 1 1 41 41 GLN N N 41 114.647 114.647 115.387 -0.740 18487 149 1 . 1 1 41 41 GLN HA H 41 4.668 4.668 4.574 0.094 18487 150 1 . 1 1 41 41 GLN CA C 41 54.397 54.397 54.627 -0.230 18487 151 1 . 1 1 41 41 GLN CB C 41 35.290 35.290 31.785 3.505 18487 152 1 . 1 1 41 41 GLN H H 41 8.420 8.420 7.627 0.793 18487 153 1 . 1 1 42 42 THR N N 42 111.706 111.706 116.873 -5.167 18487 154 1 . 1 1 42 42 THR HA H 42 4.038 4.038 4.275 -0.237 18487 155 1 . 1 1 42 42 THR CA C 42 63.082 63.082 62.772 0.310 18487 156 1 . 1 1 42 42 THR CB C 42 69.264 69.264 69.494 -0.230 18487 157 1 . 1 1 42 42 THR H H 42 8.205 8.205 8.378 -0.173 18487 158 1 . 1 1 43 43 ARG N N 43 126.367 126.367 125.420 0.947 18487 159 1 . 1 1 43 43 ARG HA H 43 4.149 4.149 4.139 0.010 18487 160 1 . 1 1 43 43 ARG CA C 43 57.433 57.433 57.228 0.205 18487 161 1 . 1 1 43 43 ARG CB C 43 28.927 28.927 29.778 -0.851 18487 162 1 . 1 1 43 43 ARG H H 43 8.885 8.885 8.546 0.339 18487 163 1 . 1 1 44 44 GLY N N 44 116.299 116.299 111.950 4.349 18487 164 1 . 1 1 44 44 GLY CA C 44 44.876 44.876 44.989 -0.113 18487 165 1 . 1 1 44 44 GLY H H 44 9.999 9.999 8.553 1.446 18487 166 1 . 1 1 45 45 SER N N 45 117.374 117.374 115.966 1.408 18487 167 1 . 1 1 45 45 SER HA H 45 4.316 4.316 4.644 -0.328 18487 168 1 . 1 1 45 45 SER CA C 45 59.967 59.967 57.755 2.212 18487 169 1 . 1 1 45 45 SER CB C 45 63.866 63.866 64.537 -0.671 18487 170 1 . 1 1 45 45 SER H H 45 8.034 8.034 7.942 0.092 18487 171 1 . 1 1 46 46 LYS N N 46 124.024 124.024 121.745 2.279 18487 172 1 . 1 1 46 46 LYS HA H 46 4.257 4.257 4.487 -0.230 18487 173 1 . 1 1 46 46 LYS CA C 46 56.302 56.302 55.459 0.843 18487 174 1 . 1 1 46 46 LYS CB C 46 32.677 32.677 33.236 -0.558 18487 175 1 . 1 1 46 46 LYS H H 46 8.560 8.560 8.364 0.196 18487 176 1 . 1 1 47 47 SER N N 47 119.851 119.851 117.022 2.829 18487 177 1 . 1 1 47 47 SER HA H 47 4.824 4.824 4.625 0.199 18487 178 1 . 1 1 47 47 SER CA C 47 57.920 57.920 58.307 -0.387 18487 179 1 . 1 1 47 47 SER CB C 47 63.770 63.770 62.816 0.954 18487 180 1 . 1 1 47 47 SER H H 47 8.663 8.663 8.482 0.181 18487 181 1 . 1 1 48 48 ILE N N 48 124.054 124.054 127.017 -2.963 18487 182 1 . 1 1 48 48 ILE HA H 48 4.357 4.357 4.037 0.320 18487 183 1 . 1 1 48 48 ILE CA C 48 60.112 60.112 61.455 -1.343 18487 184 1 . 1 1 48 48 ILE CB C 48 41.097 41.097 37.986 3.111 18487 185 1 . 1 1 48 48 ILE H H 48 8.619 8.619 8.109 0.510 18487 186 1 . 1 1 49 49 VAL N N 49 128.260 128.260 128.967 -0.707 18487 187 1 . 1 1 49 49 VAL HA H 49 4.732 4.732 4.568 0.164 18487 188 1 . 1 1 49 49 VAL CA C 49 62.012 62.012 62.048 -0.036 18487 189 1 . 1 1 49 49 VAL CB C 49 32.611 32.611 31.739 0.872 18487 190 1 . 1 1 49 49 VAL H H 49 8.498 8.498 8.457 0.041 18487 191 1 . 1 1 50 50 ILE N N 50 127.715 127.715 130.411 -2.696 18487 192 1 . 1 1 50 50 ILE HA H 50 4.503 4.503 4.340 0.163 18487 193 1 . 1 1 50 50 ILE CA C 50 61.490 61.490 60.484 1.006 18487 194 1 . 1 1 50 50 ILE CB C 50 40.463 40.463 38.226 2.237 18487 195 1 . 1 1 50 50 ILE H H 50 9.236 9.236 8.783 0.453 18487 196 1 . 1 1 51 51 LYS N N 51 127.422 127.422 127.627 -0.205 18487 197 1 . 1 1 51 51 LYS HA H 51 4.660 4.660 4.690 -0.030 18487 198 1 . 1 1 51 51 LYS CA C 51 55.550 55.550 55.888 -0.337 18487 199 1 . 1 1 51 51 LYS CB C 51 33.943 33.943 33.729 0.214 18487 200 1 . 1 1 51 51 LYS H H 51 9.673 9.673 8.361 1.312 18487 201 1 . 1 1 52 52 ASN N N 52 117.981 117.981 120.379 -2.398 18487 202 1 . 1 1 52 52 ASN HA H 52 2.748 2.748 3.678 -0.930 18487 203 1 . 1 1 52 52 ASN CA C 52 55.167 55.167 55.106 0.061 18487 204 1 . 1 1 52 52 ASN CB C 52 36.383 36.383 37.753 -1.370 18487 205 1 . 1 1 52 52 ASN H H 52 8.119 8.119 8.822 -0.703 18487 206 1 . 1 1 53 53 THR N N 53 105.425 105.425 111.229 -5.804 18487 207 1 . 1 1 53 53 THR HA H 53 4.218 4.218 4.191 0.027 18487 208 1 . 1 1 53 53 THR CA C 53 60.619 60.619 63.352 -2.733 18487 209 1 . 1 1 53 53 THR CB C 53 69.221 69.221 69.007 0.214 18487 210 1 . 1 1 53 53 THR H H 53 6.908 6.908 8.028 -1.120 18487 211 1 . 1 1 54 54 ASP N N 54 125.547 125.547 123.872 1.675 18487 212 1 . 1 1 54 54 ASP HA H 54 4.966 4.966 4.768 0.198 18487 213 1 . 1 1 54 54 ASP CA C 54 53.513 53.513 53.927 -0.413 18487 214 1 . 1 1 54 54 ASP CB C 54 39.956 39.956 40.066 -0.110 18487 215 1 . 1 1 54 54 ASP H H 54 7.811 7.811 7.633 0.178 18487 216 1 . 1 1 55 55 GLU N N 55 123.946 123.946 124.062 -0.116 18487 217 1 . 1 1 55 55 GLU HA H 55 3.823 3.823 3.826 -0.003 18487 218 1 . 1 1 55 55 GLU CA C 55 60.124 60.124 59.735 0.389 18487 219 1 . 1 1 55 55 GLU CB C 55 29.932 29.932 29.708 0.224 18487 220 1 . 1 1 55 55 GLU H H 55 7.919 7.919 7.931 -0.012 18487 221 1 . 1 1 56 56 ASN N N 56 115.295 115.295 117.503 -2.208 18487 222 1 . 1 1 56 56 ASN HA H 56 4.554 4.554 4.447 0.107 18487 223 1 . 1 1 56 56 ASN CA C 56 56.108 56.108 55.794 0.314 18487 224 1 . 1 1 56 56 ASN CB C 56 38.267 38.267 37.834 0.433 18487 225 1 . 1 1 56 56 ASN H H 56 8.728 8.728 8.462 0.266 18487 226 1 . 1 1 57 57 LEU N N 57 120.223 120.223 119.450 0.773 18487 227 1 . 1 1 57 57 LEU HA H 57 4.235 4.235 4.130 0.105 18487 228 1 . 1 1 57 57 LEU CA C 57 57.589 57.589 57.129 0.460 18487 229 1 . 1 1 57 57 LEU CB C 57 42.912 42.912 41.987 0.925 18487 230 1 . 1 1 57 57 LEU H H 57 7.621 7.621 7.509 0.112 18487 231 1 . 1 1 58 58 ILE N N 58 120.489 120.489 119.387 1.102 18487 232 1 . 1 1 58 58 ILE HA H 58 3.536 3.536 3.771 -0.235 18487 233 1 . 1 1 58 58 ILE CA C 58 66.339 66.339 64.825 1.514 18487 234 1 . 1 1 58 58 ILE CB C 58 38.393 38.393 37.825 0.568 18487 235 1 . 1 1 58 58 ILE H H 58 8.461 8.461 7.681 0.780 18487 236 1 . 1 1 59 59 ASN N N 59 114.873 114.873 116.906 -2.033 18487 237 1 . 1 1 59 59 ASN HA H 59 4.478 4.478 4.463 0.015 18487 238 1 . 1 1 59 59 ASN CA C 59 54.955 54.955 55.442 -0.487 18487 239 1 . 1 1 59 59 ASN CB C 59 38.035 38.035 38.334 -0.299 18487 240 1 . 1 1 59 59 ASN H H 59 7.958 7.958 8.172 -0.214 18487 241 1 . 1 1 60 60 HIS N N 60 115.059 115.059 116.155 -1.096 18487 242 1 . 1 1 60 60 HIS HA H 60 4.768 4.768 4.534 0.234 18487 243 1 . 1 1 60 60 HIS CA C 60 56.337 56.337 57.389 -1.052 18487 244 1 . 1 1 60 60 HIS CB C 60 29.816 29.816 30.611 -0.795 18487 245 1 . 1 1 60 60 HIS H H 60 7.633 7.633 7.462 0.171 18487 246 1 . 1 1 61 61 SER N N 61 115.447 115.447 113.904 1.543 18487 247 1 . 1 1 61 61 SER HA H 61 5.135 5.135 4.896 0.239 18487 248 1 . 1 1 61 61 SER CA C 61 56.072 56.072 56.616 -0.544 18487 249 1 . 1 1 61 61 SER CB C 61 63.806 63.806 64.105 -0.299 18487 250 1 . 1 1 61 61 SER H H 61 7.849 7.849 7.694 0.155 18487 251 1 . 1 1 62 62 LYS N N 62 132.090 132.090 128.936 3.154 18487 252 1 . 1 1 62 62 LYS HA H 62 4.044 4.044 4.162 -0.118 18487 253 1 . 1 1 62 62 LYS CA C 62 59.545 59.545 59.169 0.375 18487 254 1 . 1 1 62 62 LYS CB C 62 31.539 31.539 32.251 -0.712 18487 255 1 . 1 1 62 62 LYS H H 62 9.021 9.021 8.693 0.328 18487 256 1 . 1 1 63 63 LEU N N 63 118.793 118.793 119.296 -0.503 18487 257 1 . 1 1 63 63 LEU HA H 63 4.126 4.126 4.027 0.099 18487 258 1 . 1 1 63 63 LEU CA C 63 57.650 57.650 57.889 -0.239 18487 259 1 . 1 1 63 63 LEU CB C 63 41.779 41.779 41.539 0.240 18487 260 1 . 1 1 63 63 LEU H H 63 8.567 8.567 8.051 0.516 18487 261 1 . 1 1 64 64 ALA N N 64 118.752 118.752 120.474 -1.722 18487 262 1 . 1 1 64 64 ALA HA H 64 3.620 3.620 3.780 -0.160 18487 263 1 . 1 1 64 64 ALA CA C 64 55.057 55.057 55.138 -0.081 18487 264 1 . 1 1 64 64 ALA CB C 64 18.585 18.585 18.274 0.311 18487 265 1 . 1 1 64 64 ALA H H 64 7.645 7.645 7.716 -0.071 18487 266 1 . 1 1 65 65 GLN N N 65 115.176 115.176 117.927 -2.751 18487 267 1 . 1 1 65 65 GLN HA H 65 3.946 3.946 3.975 -0.029 18487 268 1 . 1 1 65 65 GLN CA C 65 59.257 59.257 59.204 0.053 18487 269 1 . 1 1 65 65 GLN CB C 65 28.600 28.600 28.529 0.071 18487 270 1 . 1 1 65 65 GLN H H 65 8.539 8.539 7.876 0.663 18487 271 1 . 1 1 66 66 GLN N N 66 115.801 115.801 118.449 -2.648 18487 272 1 . 1 1 66 66 GLN HA H 66 4.066 4.066 4.098 -0.032 18487 273 1 . 1 1 66 66 GLN CA C 66 58.560 58.560 58.368 0.192 18487 274 1 . 1 1 66 66 GLN CB C 66 29.497 29.497 28.383 1.114 18487 275 1 . 1 1 66 66 GLN H H 66 8.125 8.125 7.799 0.326 18487 276 1 . 1 1 67 67 ILE N N 67 119.874 119.874 120.250 -0.376 18487 277 1 . 1 1 67 67 ILE HA H 67 3.337 3.337 3.595 -0.258 18487 278 1 . 1 1 67 67 ILE CA C 67 66.043 66.043 65.314 0.729 18487 279 1 . 1 1 67 67 ILE CB C 67 36.918 36.918 37.701 -0.783 18487 280 1 . 1 1 67 67 ILE H H 67 8.281 8.281 7.928 0.352 18487 281 1 . 1 1 68 68 PHE N N 68 114.873 114.873 117.690 -2.817 18487 282 1 . 1 1 68 68 PHE HA H 68 4.495 4.495 4.499 -0.004 18487 283 1 . 1 1 68 68 PHE CA C 68 60.691 60.691 60.883 -0.192 18487 284 1 . 1 1 68 68 PHE CB C 68 37.648 37.648 38.382 -0.734 18487 285 1 . 1 1 68 68 PHE H H 68 8.255 8.255 7.993 0.262 18487 286 1 . 1 1 69 69 LEU N N 69 117.763 117.763 120.279 -2.516 18487 287 1 . 1 1 69 69 LEU HA H 69 4.295 4.295 4.083 0.212 18487 288 1 . 1 1 69 69 LEU CA C 69 57.336 57.336 57.723 -0.387 18487 289 1 . 1 1 69 69 LEU CB C 69 43.128 43.128 42.031 1.097 18487 290 1 . 1 1 69 69 LEU H H 69 7.747 7.747 7.816 -0.069 18487 291 1 . 1 1 70 70 GLN N N 70 115.040 115.040 116.625 -1.585 18487 292 1 . 1 1 70 70 GLN HA H 70 4.312 4.312 4.202 0.111 18487 293 1 . 1 1 70 70 GLN CA C 70 57.230 57.230 57.812 -0.583 18487 294 1 . 1 1 70 70 GLN CB C 70 30.022 30.022 29.971 0.051 18487 295 1 . 1 1 70 70 GLN H H 70 8.308 8.308 8.159 0.149 18487 296 1 . 1 1 71 71 CYS N N 71 115.881 115.881 118.052 -2.171 18487 297 1 . 1 1 71 71 CYS HA H 71 4.958 4.958 4.896 0.062 18487 298 1 . 1 1 71 71 CYS CA C 71 55.401 55.401 55.827 -0.426 18487 299 1 . 1 1 71 71 CYS CB C 71 28.735 28.735 29.287 -0.552 18487 300 1 . 1 1 71 71 CYS H H 71 8.242 8.242 7.865 0.377 18487 301 1 . 1 1 72 72 PRO HA H 72 4.563 4.563 4.648 -0.085 18487 302 1 . 1 1 72 72 PRO CA C 72 64.009 64.009 63.688 0.321 18487 303 1 . 1 1 72 72 PRO CB C 72 31.411 31.411 32.119 -0.708 18487 304 1 . 1 1 73 73 GLY N N 73 106.975 106.975 106.888 0.087 18487 305 1 . 1 1 73 73 GLY CA C 73 45.278 45.278 44.608 0.670 18487 306 1 . 1 1 73 73 GLY H H 73 8.657 8.657 8.177 0.480 18487 307 1 . 1 1 74 74 VAL N N 74 119.448 119.448 120.874 -1.426 18487 308 1 . 1 1 74 74 VAL HA H 74 3.980 3.980 3.969 0.011 18487 309 1 . 1 1 74 74 VAL CA C 74 63.801 63.801 63.199 0.602 18487 310 1 . 1 1 74 74 VAL CB C 74 31.500 31.500 31.727 -0.227 18487 311 1 . 1 1 74 74 VAL H H 74 7.747 7.747 7.265 0.482 18487 312 1 . 1 1 75 75 GLU N N 75 129.063 129.063 126.533 2.530 18487 313 1 . 1 1 75 75 GLU HA H 75 4.467 4.467 4.355 0.112 18487 314 1 . 1 1 75 75 GLU CA C 75 58.030 58.030 58.122 -0.092 18487 315 1 . 1 1 75 75 GLU CB C 75 31.612 31.612 31.183 0.428 18487 316 1 . 1 1 75 75 GLU H H 75 8.994 8.994 8.617 0.377 18487 317 1 . 1 1 76 76 SER N N 76 110.068 110.068 111.138 -1.070 18487 318 1 . 1 1 76 76 SER HA H 76 5.283 5.283 5.431 -0.148 18487 319 1 . 1 1 76 76 SER CA C 76 57.395 57.395 57.577 -0.182 18487 320 1 . 1 1 76 76 SER CB C 76 65.281 65.281 66.379 -1.098 18487 321 1 . 1 1 76 76 SER H H 76 8.306 8.306 8.085 0.221 18487 322 1 . 1 1 77 77 LEU N N 77 117.334 117.334 120.872 -3.538 18487 323 1 . 1 1 77 77 LEU HA H 77 5.401 5.401 4.983 0.418 18487 324 1 . 1 1 77 77 LEU CA C 77 53.581 53.581 53.850 -0.269 18487 325 1 . 1 1 77 77 LEU CB C 77 46.173 46.173 45.655 0.518 18487 326 1 . 1 1 77 77 LEU H H 77 9.250 9.250 8.946 0.304 18487 327 1 . 1 1 78 78 MET N N 78 121.119 121.119 123.253 -2.134 18487 328 1 . 1 1 78 78 MET HA H 78 5.367 5.367 5.012 0.355 18487 329 1 . 1 1 78 78 MET CA C 78 53.966 53.966 54.276 -0.310 18487 330 1 . 1 1 78 78 MET CB C 78 36.374 36.374 34.925 1.449 18487 331 1 . 1 1 78 78 MET H H 78 9.333 9.333 8.798 0.535 18487 332 1 . 1 1 79 79 ILE N N 79 127.512 127.512 127.404 0.108 18487 333 1 . 1 1 79 79 ILE HA H 79 3.992 3.992 4.278 -0.286 18487 334 1 . 1 1 79 79 ILE CA C 79 61.626 61.626 59.281 2.345 18487 335 1 . 1 1 79 79 ILE CB C 79 38.387 38.387 36.304 2.083 18487 336 1 . 1 1 79 79 ILE H H 79 9.396 9.396 8.563 0.833 18487 337 1 . 1 1 80 80 GLY N N 80 117.437 117.437 113.931 3.506 18487 338 1 . 1 1 80 80 GLY CA C 80 43.610 43.610 43.067 0.543 18487 339 1 . 1 1 80 80 GLY H H 80 7.916 7.916 7.783 0.133 18487 340 1 . 1 1 81 81 ASP N N 81 118.860 118.860 118.360 0.500 18487 341 1 . 1 1 81 81 ASP HA H 81 4.673 4.673 4.422 0.251 18487 342 1 . 1 1 81 81 ASP CA C 81 55.034 55.034 57.486 -2.452 18487 343 1 . 1 1 81 81 ASP CB C 81 39.674 39.674 41.112 -1.438 18487 344 1 . 1 1 81 81 ASP H H 81 7.983 7.983 8.350 -0.367 18487 345 1 . 1 1 82 82 ASP N N 82 118.682 118.682 115.452 3.230 18487 346 1 . 1 1 82 82 ASP HA H 82 4.819 4.819 4.669 0.150 18487 347 1 . 1 1 82 82 ASP CA C 82 52.138 52.138 54.988 -2.850 18487 348 1 . 1 1 82 82 ASP CB C 82 40.994 40.994 41.497 -0.503 18487 349 1 . 1 1 82 82 ASP H H 82 9.164 9.164 8.675 0.489 18487 350 1 . 1 1 83 83 PHE N N 83 110.898 110.898 114.521 -3.623 18487 351 1 . 1 1 83 83 PHE HA H 83 5.850 5.850 5.491 0.359 18487 352 1 . 1 1 83 83 PHE CA C 83 54.965 54.965 55.226 -0.261 18487 353 1 . 1 1 83 83 PHE CB C 83 42.746 42.746 41.819 0.927 18487 354 1 . 1 1 83 83 PHE H H 83 6.887 6.887 7.276 -0.389 18487 355 1 . 1 1 84 84 LEU N N 84 121.119 121.119 121.953 -0.834 18487 356 1 . 1 1 84 84 LEU HA H 84 5.233 5.233 5.099 0.134 18487 357 1 . 1 1 84 84 LEU CA C 84 52.966 52.966 53.866 -0.900 18487 358 1 . 1 1 84 84 LEU CB C 84 47.408 47.408 45.617 1.791 18487 359 1 . 1 1 84 84 LEU H H 84 9.118 9.118 8.822 0.296 18487 360 1 . 1 1 85 85 THR N N 85 125.430 125.430 125.030 0.400 18487 361 1 . 1 1 85 85 THR HA H 85 5.639 5.639 5.076 0.563 18487 362 1 . 1 1 85 85 THR CA C 85 61.743 61.743 62.210 -0.467 18487 363 1 . 1 1 85 85 THR CB C 85 69.835 69.835 69.543 0.292 18487 364 1 . 1 1 85 85 THR H H 85 9.780 9.780 8.880 0.900 18487 365 1 . 1 1 86 86 ILE N N 86 126.778 126.778 128.450 -1.672 18487 366 1 . 1 1 86 86 ILE HA H 86 4.711 4.711 4.324 0.387 18487 367 1 . 1 1 86 86 ILE CA C 86 57.705 57.705 59.662 -1.957 18487 368 1 . 1 1 86 86 ILE CB C 86 39.344 39.344 37.618 1.726 18487 369 1 . 1 1 86 86 ILE H H 86 9.151 9.151 8.760 0.391 18487 370 1 . 1 1 87 87 ASN N N 87 124.785 124.785 126.723 -1.938 18487 371 1 . 1 1 87 87 ASN HA H 87 6.026 6.026 5.783 0.243 18487 372 1 . 1 1 87 87 ASN CA C 87 52.032 52.032 52.364 -0.332 18487 373 1 . 1 1 87 87 ASN CB C 87 39.679 39.679 41.038 -1.359 18487 374 1 . 1 1 87 87 ASN H H 87 8.680 8.680 8.824 -0.144 18487 375 1 . 1 1 88 88 LYS N N 88 122.617 122.617 122.830 -0.213 18487 376 1 . 1 1 88 88 LYS HA H 88 5.239 5.239 4.796 0.443 18487 377 1 . 1 1 88 88 LYS CA C 88 53.514 53.514 53.779 -0.265 18487 378 1 . 1 1 88 88 LYS CB C 88 36.255 36.255 34.847 1.408 18487 379 1 . 1 1 88 88 LYS H H 88 9.361 9.361 8.375 0.986 18487 380 1 . 1 1 89 89 ASP N N 89 121.211 121.211 120.322 0.889 18487 381 1 . 1 1 89 89 ASP HA H 89 4.461 4.461 4.657 -0.196 18487 382 1 . 1 1 89 89 ASP CA C 89 53.895 53.895 53.946 -0.051 18487 383 1 . 1 1 89 89 ASP CB C 89 42.744 42.744 42.922 -0.178 18487 384 1 . 1 1 89 89 ASP H H 89 8.454 8.454 8.233 0.221 18487 385 1 . 1 1 90 90 ARG N N 90 124.551 124.551 125.065 -0.514 18487 386 1 . 1 1 90 90 ARG HA H 90 4.074 4.074 4.084 -0.010 18487 387 1 . 1 1 90 90 ARG CA C 90 58.109 58.109 58.200 -0.091 18487 388 1 . 1 1 90 90 ARG CB C 90 29.895 29.895 29.669 0.227 18487 389 1 . 1 1 90 90 ARG H H 90 8.475 8.475 8.662 -0.187 18487 390 1 . 1 1 91 91 MET N N 91 115.821 115.821 116.797 -0.976 18487 391 1 . 1 1 91 91 MET HA H 91 4.424 4.424 4.291 0.133 18487 392 1 . 1 1 91 91 MET CA C 91 55.206 55.206 56.460 -1.254 18487 393 1 . 1 1 91 91 MET CB C 91 31.307 31.307 33.096 -1.789 18487 394 1 . 1 1 91 91 MET H H 91 8.725 8.725 7.797 0.928 18487 395 1 . 1 1 92 92 VAL N N 92 119.922 119.922 118.825 1.097 18487 396 1 . 1 1 92 92 VAL HA H 92 4.106 4.106 3.962 0.144 18487 397 1 . 1 1 92 92 VAL CA C 92 61.058 61.058 61.431 -0.373 18487 398 1 . 1 1 92 92 VAL CB C 92 33.144 33.144 32.626 0.518 18487 399 1 . 1 1 92 92 VAL H H 92 7.348 7.348 7.278 0.070 18487 400 1 . 1 1 93 93 HIS N N 93 125.619 125.619 123.739 1.880 18487 401 1 . 1 1 93 93 HIS HA H 93 4.596 4.596 4.662 -0.066 18487 402 1 . 1 1 93 93 HIS CA C 93 55.394 55.394 55.391 0.002 18487 403 1 . 1 1 93 93 HIS CB C 93 31.658 31.658 32.170 -0.512 18487 404 1 . 1 1 93 93 HIS H H 93 8.851 8.851 8.285 0.566 18487 405 1 . 1 1 94 94 TRP HA H 94 5.000 5.000 4.452 0.548 18487 406 1 . 1 1 94 94 TRP CA C 94 60.000 60.000 60.171 -0.171 18487 407 1 . 1 1 94 94 TRP CB C 94 30.000 30.000 29.588 0.412 18487 408 1 . 1 1 95 95 ASN HA H 95 4.697 4.697 4.527 0.170 18487 409 1 . 1 1 95 95 ASN CA C 95 56.027 56.027 55.799 0.228 18487 410 1 . 1 1 95 95 ASN CB C 95 37.151 37.151 38.075 -0.925 18487 411 1 . 1 1 96 96 SER N N 96 113.047 113.047 114.209 -1.162 18487 412 1 . 1 1 96 96 SER HA H 96 4.628 4.628 4.458 0.170 18487 413 1 . 1 1 96 96 SER CA C 96 60.183 60.183 60.449 -0.266 18487 414 1 . 1 1 96 96 SER CB C 96 63.901 63.901 63.968 -0.067 18487 415 1 . 1 1 96 96 SER H H 96 8.064 8.064 7.889 0.175 18487 416 1 . 1 1 97 97 ILE N N 97 116.621 116.621 121.587 -4.966 18487 417 1 . 1 1 97 97 ILE HA H 97 4.642 4.642 4.119 0.523 18487 418 1 . 1 1 97 97 ILE CA C 97 62.778 62.778 63.309 -0.531 18487 419 1 . 1 1 97 97 ILE CB C 97 42.427 42.427 38.498 3.929 18487 420 1 . 1 1 97 97 ILE H H 97 7.705 7.705 7.480 0.225 18487 421 1 . 1 1 98 98 LYS N N 98 120.198 120.198 121.197 -0.999 18487 422 1 . 1 1 98 98 LYS HA H 98 4.257 4.257 4.354 -0.097 18487 423 1 . 1 1 98 98 LYS CA C 98 62.713 62.713 62.227 0.486 18487 424 1 . 1 1 98 98 LYS CB C 98 30.973 30.973 30.748 0.225 18487 425 1 . 1 1 98 98 LYS H H 98 9.132 9.132 8.412 0.720 18487 426 1 . 1 1 99 99 PRO HA H 99 4.284 4.284 4.318 -0.034 18487 427 1 . 1 1 99 99 PRO CA C 99 66.334 66.334 65.961 0.373 18487 428 1 . 1 1 99 99 PRO CB C 99 30.401 30.401 31.036 -0.635 18487 429 1 . 1 1 100 100 GLU N N 100 117.097 117.097 118.695 -1.598 18487 430 1 . 1 1 100 100 GLU HA H 100 4.152 4.152 4.096 0.056 18487 431 1 . 1 1 100 100 GLU CA C 100 58.819 58.819 58.939 -0.120 18487 432 1 . 1 1 100 100 GLU CB C 100 29.416 29.416 28.836 0.581 18487 433 1 . 1 1 100 100 GLU H H 100 7.447 7.447 7.785 -0.338 18487 434 1 . 1 1 101 101 ILE N N 101 118.326 118.326 120.589 -2.263 18487 435 1 . 1 1 101 101 ILE HA H 101 3.364 3.364 3.507 -0.143 18487 436 1 . 1 1 101 101 ILE CA C 101 63.361 63.361 65.391 -2.030 18487 437 1 . 1 1 101 101 ILE CB C 101 35.849 35.849 37.513 -1.664 18487 438 1 . 1 1 101 101 ILE H H 101 7.896 7.896 7.699 0.197 18487 439 1 . 1 1 102 102 ILE N N 102 118.368 118.368 119.915 -1.547 18487 440 1 . 1 1 102 102 ILE HA H 102 3.408 3.408 3.454 -0.046 18487 441 1 . 1 1 102 102 ILE CA C 102 66.246 66.246 65.616 0.630 18487 442 1 . 1 1 102 102 ILE CB C 102 37.240 37.240 37.436 -0.196 18487 443 1 . 1 1 102 102 ILE H H 102 8.243 8.243 8.081 0.162 18487 444 1 . 1 1 103 103 ASP N N 103 122.381 122.381 120.135 2.246 18487 445 1 . 1 1 103 103 ASP HA H 103 4.378 4.378 4.320 0.058 18487 446 1 . 1 1 103 103 ASP CA C 103 57.982 57.982 57.624 0.358 18487 447 1 . 1 1 103 103 ASP CB C 103 41.534 41.534 40.981 0.553 18487 448 1 . 1 1 103 103 ASP H H 103 7.900 7.900 7.746 0.154 18487 449 1 . 1 1 104 104 LEU N N 104 119.007 119.007 119.992 -0.985 18487 450 1 . 1 1 104 104 LEU HA H 104 3.998 3.998 3.968 0.030 18487 451 1 . 1 1 104 104 LEU CA C 104 57.739 57.739 57.780 -0.041 18487 452 1 . 1 1 104 104 LEU CB C 104 42.142 42.142 41.841 0.301 18487 453 1 . 1 1 104 104 LEU H H 104 8.261 8.261 7.848 0.413 18487 454 1 . 1 1 105 105 LEU N N 105 120.443 120.443 118.868 1.575 18487 455 1 . 1 1 105 105 LEU HA H 105 3.987 3.987 4.059 -0.072 18487 456 1 . 1 1 105 105 LEU CA C 105 57.501 57.501 58.126 -0.625 18487 457 1 . 1 1 105 105 LEU CB C 105 42.087 42.087 41.078 1.009 18487 458 1 . 1 1 105 105 LEU H H 105 9.022 9.022 8.279 0.743 18487 459 1 . 1 1 106 106 THR N N 106 114.821 114.821 115.061 -0.240 18487 460 1 . 1 1 106 106 THR HA H 106 3.698 3.698 4.000 -0.302 18487 461 1 . 1 1 106 106 THR CA C 106 67.610 67.610 66.543 1.067 18487 462 1 . 1 1 106 106 THR CB C 106 68.325 68.325 68.562 -0.237 18487 463 1 . 1 1 106 106 THR H H 106 8.273 8.273 7.553 0.720 18487 464 1 . 1 1 107 107 LYS N N 107 120.049 120.049 121.134 -1.085 18487 465 1 . 1 1 107 107 LYS HA H 107 3.907 3.907 3.866 0.041 18487 466 1 . 1 1 107 107 LYS CA C 107 59.455 59.455 58.931 0.523 18487 467 1 . 1 1 107 107 LYS CB C 107 32.362 32.362 31.775 0.587 18487 468 1 . 1 1 107 107 LYS H H 107 7.691 7.691 7.787 -0.096 18487 469 1 . 1 1 108 108 GLN N N 108 118.375 118.375 119.261 -0.886 18487 470 1 . 1 1 108 108 GLN HA H 108 4.018 4.018 4.113 -0.095 18487 471 1 . 1 1 108 108 GLN CA C 108 57.983 57.983 58.849 -0.866 18487 472 1 . 1 1 108 108 GLN CB C 108 27.655 27.655 28.639 -0.984 18487 473 1 . 1 1 108 108 GLN H H 108 7.888 7.888 7.814 0.074 18487 474 1 . 1 1 109 109 LEU N N 109 118.066 118.066 117.506 0.560 18487 475 1 . 1 1 109 109 LEU HA H 109 4.182 4.182 4.291 -0.109 18487 476 1 . 1 1 109 109 LEU CA C 109 56.467 56.467 56.330 0.137 18487 477 1 . 1 1 109 109 LEU CB C 109 41.810 41.810 41.678 0.132 18487 478 1 . 1 1 109 109 LEU H H 109 8.269 8.269 7.723 0.546 18487 479 1 . 1 1 110 110 ALA N N 110 120.909 120.909 120.721 0.188 18487 480 1 . 1 1 110 110 ALA HA H 110 4.032 4.032 4.080 -0.048 18487 481 1 . 1 1 110 110 ALA CA C 110 54.240 54.240 54.125 0.115 18487 482 1 . 1 1 110 110 ALA CB C 110 18.667 18.667 18.541 0.126 18487 483 1 . 1 1 110 110 ALA H H 110 8.171 8.171 7.438 0.733 18487 484 1 . 1 1 111 111 TYR N N 111 114.611 114.611 116.800 -2.189 18487 485 1 . 1 1 111 111 TYR HA H 111 4.642 4.642 4.528 0.114 18487 486 1 . 1 1 111 111 TYR CA C 111 57.927 57.927 58.256 -0.329 18487 487 1 . 1 1 111 111 TYR CB C 111 38.472 38.472 38.960 -0.488 18487 488 1 . 1 1 111 111 TYR H H 111 7.763 7.763 7.684 0.079 18487 489 1 . 1 1 112 112 GLY N N 112 107.916 107.916 106.617 1.299 18487 490 1 . 1 1 112 112 GLY CA C 112 46.208 46.208 45.035 1.173 18487 491 1 . 1 1 112 112 GLY H H 112 7.941 7.941 7.813 0.128 18487 492 1 . 1 1 113 113 GLU N N 113 119.571 119.571 119.834 -0.263 18487 493 1 . 1 1 113 113 GLU HA H 113 4.390 4.390 4.359 0.031 18487 494 1 . 1 1 113 113 GLU CA C 113 56.025 56.025 56.193 -0.167 18487 495 1 . 1 1 113 113 GLU CB C 113 30.403 30.403 31.087 -0.684 18487 496 1 . 1 1 113 113 GLU H H 113 8.166 8.166 8.265 -0.099 18487 497 1 . 1 1 114 114 ASP N N 114 121.457 121.457 119.390 2.067 18487 498 1 . 1 1 114 114 ASP HA H 114 4.625 4.625 4.787 -0.162 18487 499 1 . 1 1 114 114 ASP CA C 114 55.075 55.075 54.005 1.070 18487 500 1 . 1 1 114 114 ASP CB C 114 40.997 40.997 41.814 -0.817 18487 501 1 . 1 1 114 114 ASP H H 114 8.560 8.560 8.144 0.416 18487 502 1 . 1 1 115 115 VAL N N 115 120.645 120.645 121.501 -0.856 18487 503 1 . 1 1 115 115 VAL HA H 115 4.079 4.079 4.027 0.052 18487 504 1 . 1 1 115 115 VAL CA C 115 63.518 63.518 64.341 -0.823 18487 505 1 . 1 1 115 115 VAL CB C 115 31.833 31.833 32.773 -0.940 18487 506 1 . 1 1 115 115 VAL H H 115 8.659 8.659 8.286 0.373 18487 507 1 . 1 1 116 116 ILE N N 116 120.775 120.775 116.498 4.277 18487 508 1 . 1 1 116 116 ILE HA H 116 4.663 4.663 4.390 0.273 18487 509 1 . 1 1 116 116 ILE CA C 116 59.736 59.736 60.476 -0.740 18487 510 1 . 1 1 116 116 ILE CB C 116 39.798 39.798 39.239 0.559 18487 511 1 . 1 1 116 116 ILE H H 116 7.881 7.881 7.723 0.158 18487 512 1 . 1 1 117 117 SER N N 117 121.192 121.192 119.014 2.178 18487 513 1 . 1 1 117 117 SER HA H 117 4.641 4.641 4.513 0.128 18487 514 1 . 1 1 117 117 SER CA C 117 57.846 57.846 58.455 -0.609 18487 515 1 . 1 1 117 117 SER CB C 117 63.962 63.962 63.780 0.182 18487 516 1 . 1 1 117 117 SER H H 117 8.767 8.767 8.467 0.300 18487 517 1 . 1 1 118 118 LYS N N 118 124.317 124.317 122.034 2.283 18487 518 1 . 1 1 118 118 LYS HA H 118 4.356 4.356 4.312 0.044 18487 519 1 . 1 1 118 118 LYS CA C 118 56.537 56.537 56.373 0.164 18487 520 1 . 1 1 118 118 LYS CB C 118 33.050 33.050 32.332 0.718 18487 521 1 . 1 1 118 118 LYS H H 118 8.633 8.633 8.305 0.328 18487 stop_ save_