data_19617 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19617 _Entry.PDB_ID 2MH4 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 19617 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.629 -0.358 19617 2 1 1 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.058 -1.837 19617 3 1 1 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.542 -1.126 19617 4 1 1 . 1 1 3 3 ALA N N 3 123.801 123.801 121.990 1.811 19617 5 1 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.385 -0.179 19617 6 1 1 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.894 -0.499 19617 7 1 1 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.564 -2.724 19617 8 1 1 . 1 1 3 3 ALA H H 3 8.647 8.647 7.841 0.806 19617 9 1 1 . 1 1 4 4 ALA N N 4 124.058 124.058 123.229 0.829 19617 10 1 1 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.744 -0.065 19617 11 1 1 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.673 -1.651 19617 12 1 1 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.584 0.313 19617 13 1 1 . 1 1 4 4 ALA H H 4 8.239 8.239 8.376 -0.137 19617 14 1 1 . 1 1 5 5 LEU N N 5 124.019 124.019 126.037 -2.018 19617 15 1 1 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.600 -1.228 19617 16 1 1 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.376 0.632 19617 17 1 1 . 1 1 5 5 LEU CB C 5 41.242 41.242 44.304 -3.062 19617 18 1 1 . 1 1 5 5 LEU H H 5 8.560 8.560 8.277 0.283 19617 19 1 1 . 1 1 6 6 VAL N N 6 123.358 123.358 122.175 1.183 19617 20 1 1 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.216 -0.115 19617 21 1 1 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.021 -0.681 19617 22 1 1 . 1 1 6 6 VAL CB C 6 32.948 32.948 31.642 1.306 19617 23 1 1 . 1 1 6 6 VAL H H 6 9.119 9.119 8.121 0.998 19617 24 1 1 . 1 1 7 7 SER N N 7 112.139 112.139 125.603 -13.464 19617 25 1 1 . 1 1 7 7 SER HA H 7 4.445 4.445 4.766 -0.321 19617 26 1 1 . 1 1 7 7 SER CA C 7 56.349 56.349 57.572 -1.223 19617 27 1 1 . 1 1 7 7 SER CB C 7 64.361 64.361 64.552 -0.191 19617 28 1 1 . 1 1 7 7 SER H H 7 7.680 7.680 8.260 -0.580 19617 29 1 1 . 1 1 8 8 ILE N N 8 118.677 118.677 127.523 -8.846 19617 30 1 1 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.771 -0.090 19617 31 1 1 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.834 -0.688 19617 32 1 1 . 1 1 8 8 ILE CB C 8 41.674 41.674 40.311 1.363 19617 33 1 1 . 1 1 8 8 ILE H H 8 8.354 8.354 8.697 -0.343 19617 34 1 1 . 1 1 9 9 SER N N 9 121.319 121.319 125.629 -4.310 19617 35 1 1 . 1 1 9 9 SER HA H 9 4.859 4.859 4.830 0.029 19617 36 1 1 . 1 1 9 9 SER CA C 9 55.381 55.381 57.293 -1.912 19617 37 1 1 . 1 1 9 9 SER CB C 9 64.243 64.243 63.999 0.244 19617 38 1 1 . 1 1 9 9 SER H H 9 9.028 9.028 8.216 0.812 19617 39 1 1 . 1 1 10 10 VAL N N 10 127.508 127.508 126.353 1.155 19617 40 1 1 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.827 0.224 19617 41 1 1 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.725 0.187 19617 42 1 1 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.285 -0.898 19617 43 1 1 . 1 1 10 10 VAL H H 10 8.911 8.911 8.634 0.277 19617 44 1 1 . 1 1 11 11 SER N N 11 121.861 121.861 124.237 -2.376 19617 45 1 1 . 1 1 11 11 SER CB C 11 64.373 64.373 62.467 1.906 19617 46 1 1 . 1 1 11 11 SER H H 11 9.205 9.205 8.335 0.870 19617 47 1 1 . 1 1 12 12 PRO HA H 12 4.710 4.710 3.993 0.717 19617 48 1 1 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.430 -1.531 19617 49 1 1 . 1 1 12 12 PRO CB C 12 34.089 34.089 31.925 2.164 19617 50 1 1 . 1 1 13 13 THR N N 13 116.138 116.138 117.160 -1.022 19617 51 1 1 . 1 1 13 13 THR HA H 13 4.766 4.766 4.452 0.314 19617 52 1 1 . 1 1 13 13 THR CA C 13 60.153 60.153 60.499 -0.346 19617 53 1 1 . 1 1 13 13 THR CB C 13 69.426 69.426 69.293 0.133 19617 54 1 1 . 1 1 13 13 THR H H 13 8.679 8.679 8.074 0.605 19617 55 1 1 . 1 1 14 14 ASN N N 14 124.457 124.457 124.775 -0.318 19617 56 1 1 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.906 -0.209 19617 57 1 1 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.797 0.331 19617 58 1 1 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.295 -1.702 19617 59 1 1 . 1 1 14 14 ASN H H 14 8.710 8.710 8.746 -0.036 19617 60 1 1 . 1 1 15 15 SER N N 15 113.672 113.672 118.886 -5.214 19617 61 1 1 . 1 1 15 15 SER HA H 15 4.651 4.651 4.688 -0.037 19617 62 1 1 . 1 1 15 15 SER CA C 15 55.644 55.644 57.444 -1.800 19617 63 1 1 . 1 1 15 15 SER CB C 15 63.953 63.953 65.785 -1.832 19617 64 1 1 . 1 1 15 15 SER H H 15 9.127 9.127 8.351 0.776 19617 65 1 1 . 1 1 16 16 THR N N 16 113.578 113.578 112.837 0.741 19617 66 1 1 . 1 1 16 16 THR HA H 16 4.975 4.975 4.616 0.359 19617 67 1 1 . 1 1 16 16 THR CA C 16 58.445 58.445 60.872 -2.427 19617 68 1 1 . 1 1 16 16 THR CB C 16 70.534 70.534 70.478 0.056 19617 69 1 1 . 1 1 16 16 THR H H 16 7.962 7.962 8.188 -0.226 19617 70 1 1 . 1 1 17 17 VAL N N 17 121.480 121.480 122.332 -0.852 19617 71 1 1 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.369 -0.047 19617 72 1 1 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.739 0.198 19617 73 1 1 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.861 -0.457 19617 74 1 1 . 1 1 17 17 VAL H H 17 7.969 7.969 8.721 -0.752 19617 75 1 1 . 1 1 18 18 ALA N N 18 126.013 126.013 128.083 -2.070 19617 76 1 1 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.402 -0.227 19617 77 1 1 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.149 -1.186 19617 78 1 1 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.554 -0.632 19617 79 1 1 . 1 1 18 18 ALA H H 18 7.756 7.756 8.274 -0.518 19617 80 1 1 . 1 1 19 19 LYS N N 19 119.740 119.740 121.702 -1.962 19617 81 1 1 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.035 -0.546 19617 82 1 1 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.877 0.895 19617 83 1 1 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.146 -0.544 19617 84 1 1 . 1 1 19 19 LYS H H 19 7.892 7.892 8.316 -0.424 19617 85 1 1 . 1 1 20 20 GLY N N 20 116.706 116.706 110.654 6.052 19617 86 1 1 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.233 -1.470 19617 87 1 1 . 1 1 20 20 GLY H H 20 8.615 8.615 8.400 0.215 19617 88 1 1 . 1 1 21 21 LEU N N 21 123.004 123.004 123.332 -0.328 19617 89 1 1 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.556 0.034 19617 90 1 1 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.347 -0.982 19617 91 1 1 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.082 -5.120 19617 92 1 1 . 1 1 21 21 LEU H H 21 8.013 8.013 7.850 0.163 19617 93 1 1 . 1 1 22 22 GLN N N 22 117.502 117.502 118.640 -1.138 19617 94 1 1 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.288 -0.162 19617 95 1 1 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.526 -0.857 19617 96 1 1 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.191 -0.277 19617 97 1 1 . 1 1 22 22 GLN H H 22 8.223 8.223 8.368 -0.145 19617 98 1 1 . 1 1 23 23 GLU N N 23 118.123 118.123 122.971 -4.848 19617 99 1 1 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.632 -0.070 19617 100 1 1 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.556 -1.690 19617 101 1 1 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.678 -0.804 19617 102 1 1 . 1 1 23 23 GLU H H 23 8.188 8.188 8.683 -0.495 19617 103 1 1 . 1 1 24 24 ASN N N 24 125.843 125.843 120.127 5.716 19617 104 1 1 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.340 -0.563 19617 105 1 1 . 1 1 24 24 ASN CA C 24 52.511 52.511 51.970 0.541 19617 106 1 1 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.132 -0.386 19617 107 1 1 . 1 1 24 24 ASN H H 24 9.391 9.391 8.397 0.994 19617 108 1 1 . 1 1 25 25 PHE N N 25 122.822 122.822 119.931 2.891 19617 109 1 1 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.807 -0.157 19617 110 1 1 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.029 1.094 19617 111 1 1 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.641 -3.582 19617 112 1 1 . 1 1 25 25 PHE H H 25 8.059 8.059 8.242 -0.183 19617 113 1 1 . 1 1 26 26 LYS N N 26 119.114 119.114 119.632 -0.518 19617 114 1 1 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.715 0.529 19617 115 1 1 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.140 -3.164 19617 116 1 1 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.587 -0.926 19617 117 1 1 . 1 1 26 26 LYS H H 26 9.255 9.255 8.609 0.646 19617 118 1 1 . 1 1 27 27 ALA N N 27 125.586 125.586 128.624 -3.038 19617 119 1 1 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.191 0.072 19617 120 1 1 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.129 -2.312 19617 121 1 1 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.262 -1.102 19617 122 1 1 . 1 1 27 27 ALA H H 27 9.119 9.119 8.396 0.723 19617 123 1 1 . 1 1 28 28 THR N N 28 120.628 120.628 115.151 5.477 19617 124 1 1 . 1 1 28 28 THR HA H 28 4.843 4.843 4.656 0.187 19617 125 1 1 . 1 1 28 28 THR CA C 28 60.566 60.566 60.681 -0.115 19617 126 1 1 . 1 1 28 28 THR CB C 28 69.478 69.478 69.796 -0.318 19617 127 1 1 . 1 1 28 28 THR H H 28 9.061 9.061 7.827 1.234 19617 128 1 1 . 1 1 29 29 GLY N N 29 115.787 115.787 113.721 2.066 19617 129 1 1 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.459 -0.143 19617 130 1 1 . 1 1 29 29 GLY H H 29 9.663 9.663 8.598 1.065 19617 131 1 1 . 1 1 30 30 ILE N N 30 123.084 123.084 124.590 -1.506 19617 132 1 1 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.471 0.310 19617 133 1 1 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.786 -0.398 19617 134 1 1 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.982 -5.099 19617 135 1 1 . 1 1 30 30 ILE H H 30 7.914 7.914 7.605 0.309 19617 136 1 1 . 1 1 31 31 PHE N N 31 125.209 125.209 120.348 4.861 19617 137 1 1 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.187 0.183 19617 138 1 1 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.639 0.848 19617 139 1 1 . 1 1 31 31 PHE CB C 31 41.153 41.153 40.651 0.502 19617 140 1 1 . 1 1 31 31 PHE H H 31 8.316 8.316 7.276 1.040 19617 141 1 1 . 1 1 32 32 THR N N 32 113.843 113.843 114.252 -0.409 19617 142 1 1 . 1 1 32 32 THR HA H 32 4.409 4.409 3.952 0.457 19617 143 1 1 . 1 1 32 32 THR CA C 32 64.157 64.157 65.261 -1.104 19617 144 1 1 . 1 1 32 32 THR CB C 32 68.540 68.540 68.570 -0.031 19617 145 1 1 . 1 1 32 32 THR H H 32 9.335 9.335 8.726 0.609 19617 146 1 1 . 1 1 33 33 ASP N N 33 118.799 118.799 120.813 -2.014 19617 147 1 1 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.731 -0.109 19617 148 1 1 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.527 -2.564 19617 149 1 1 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.262 -2.768 19617 150 1 1 . 1 1 33 33 ASP H H 33 7.689 7.689 8.372 -0.683 19617 151 1 1 . 1 1 34 34 ASN N N 34 112.999 112.999 116.797 -3.798 19617 152 1 1 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.829 -0.479 19617 153 1 1 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.485 0.861 19617 154 1 1 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.448 -3.958 19617 155 1 1 . 1 1 34 34 ASN H H 34 8.370 8.370 8.219 0.151 19617 156 1 1 . 1 1 35 35 SER N N 35 115.544 115.544 117.498 -1.954 19617 157 1 1 . 1 1 35 35 SER HA H 35 4.410 4.410 4.107 0.303 19617 158 1 1 . 1 1 35 35 SER CA C 35 57.882 57.882 59.321 -1.438 19617 159 1 1 . 1 1 35 35 SER CB C 35 63.770 63.770 62.593 1.177 19617 160 1 1 . 1 1 35 35 SER H H 35 7.990 7.990 8.467 -0.477 19617 161 1 1 . 1 1 36 36 ASN N N 36 116.055 116.055 121.989 -5.934 19617 162 1 1 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.053 -1.379 19617 163 1 1 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.548 -0.749 19617 164 1 1 . 1 1 36 36 ASN H H 36 8.518 8.518 7.384 1.134 19617 165 1 1 . 1 1 37 37 SER N N 37 113.193 113.193 115.232 -2.039 19617 166 1 1 . 1 1 37 37 SER HA H 37 4.719 4.719 4.439 0.280 19617 167 1 1 . 1 1 37 37 SER CA C 37 56.801 56.801 58.172 -1.371 19617 168 1 1 . 1 1 37 37 SER CB C 37 64.872 64.872 64.557 0.315 19617 169 1 1 . 1 1 37 37 SER H H 37 8.667 8.667 8.474 0.193 19617 170 1 1 . 1 1 38 38 ASP N N 38 123.964 123.964 120.210 3.754 19617 171 1 1 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.538 0.444 19617 172 1 1 . 1 1 38 38 ASP CA C 38 54.201 54.201 55.410 -1.210 19617 173 1 1 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.540 -0.611 19617 174 1 1 . 1 1 38 38 ASP H H 38 8.849 8.849 8.733 0.116 19617 175 1 1 . 1 1 39 39 ILE N N 39 121.214 121.214 125.561 -4.347 19617 176 1 1 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.220 0.656 19617 177 1 1 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.907 -3.200 19617 178 1 1 . 1 1 39 39 ILE CB C 39 37.086 37.086 39.050 -1.964 19617 179 1 1 . 1 1 39 39 ILE H H 39 8.816 8.816 7.917 0.899 19617 180 1 1 . 1 1 40 40 THR N N 40 122.861 122.861 118.070 4.791 19617 181 1 1 . 1 1 40 40 THR HA H 40 4.289 4.289 4.124 0.165 19617 182 1 1 . 1 1 40 40 THR CB C 40 68.527 68.527 68.792 -0.265 19617 183 1 1 . 1 1 40 40 THR H H 40 8.679 8.679 7.964 0.715 19617 184 1 1 . 1 1 41 41 ASP N N 41 114.076 114.076 119.086 -5.010 19617 185 1 1 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.532 -0.835 19617 186 1 1 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.995 -1.517 19617 187 1 1 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.045 -2.328 19617 188 1 1 . 1 1 41 41 ASP H H 41 8.539 8.539 8.506 0.033 19617 189 1 1 . 1 1 42 42 GLN N N 42 117.086 117.086 117.968 -0.882 19617 190 1 1 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.023 0.123 19617 191 1 1 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.871 -0.335 19617 192 1 1 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.489 2.727 19617 193 1 1 . 1 1 42 42 GLN H H 42 7.718 7.718 7.374 0.344 19617 194 1 1 . 1 1 43 43 VAL N N 43 109.916 109.916 122.404 -12.488 19617 195 1 1 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.941 0.150 19617 196 1 1 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.351 -4.511 19617 197 1 1 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.174 -0.901 19617 198 1 1 . 1 1 43 43 VAL H H 43 6.902 6.902 8.440 -1.538 19617 199 1 1 . 1 1 44 44 THR N N 44 116.270 116.270 126.071 -9.801 19617 200 1 1 . 1 1 44 44 THR HA H 44 4.311 4.311 4.180 0.131 19617 201 1 1 . 1 1 44 44 THR CA C 44 61.651 61.651 62.784 -1.133 19617 202 1 1 . 1 1 44 44 THR CB C 44 68.890 68.890 69.163 -0.273 19617 203 1 1 . 1 1 44 44 THR H H 44 8.787 8.787 7.970 0.817 19617 204 1 1 . 1 1 45 45 TRP N N 45 132.099 132.099 126.790 5.309 19617 205 1 1 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.158 0.088 19617 206 1 1 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.835 0.552 19617 207 1 1 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.478 -1.401 19617 208 1 1 . 1 1 45 45 TRP H H 45 10.351 10.351 7.699 2.652 19617 209 1 1 . 1 1 46 46 ASP N N 46 121.897 121.897 122.483 -0.586 19617 210 1 1 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.113 -0.254 19617 211 1 1 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.666 -0.869 19617 212 1 1 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.709 -0.634 19617 213 1 1 . 1 1 46 46 ASP H H 46 9.471 9.471 8.853 0.618 19617 214 1 1 . 1 1 47 47 SER N N 47 113.805 113.805 116.626 -2.821 19617 215 1 1 . 1 1 47 47 SER HA H 47 5.044 5.044 4.677 0.367 19617 216 1 1 . 1 1 47 47 SER CA C 47 53.059 53.059 57.073 -4.014 19617 217 1 1 . 1 1 47 47 SER CB C 47 64.880 64.880 65.044 -0.164 19617 218 1 1 . 1 1 47 47 SER H H 47 8.502 8.502 8.440 0.062 19617 219 1 1 . 1 1 48 48 SER N N 48 119.614 119.614 117.831 1.783 19617 220 1 1 . 1 1 48 48 SER HA H 48 4.281 4.281 4.282 -0.001 19617 221 1 1 . 1 1 48 48 SER CA C 48 59.404 59.404 60.165 -0.761 19617 222 1 1 . 1 1 48 48 SER CB C 48 62.026 62.026 63.917 -1.891 19617 223 1 1 . 1 1 48 48 SER H H 48 8.518 8.518 8.566 -0.048 19617 224 1 1 . 1 1 49 49 ASN N N 49 118.260 118.260 117.707 0.553 19617 225 1 1 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.941 -0.046 19617 226 1 1 . 1 1 49 49 ASN CA C 49 52.841 52.841 52.800 0.041 19617 227 1 1 . 1 1 49 49 ASN CB C 49 37.720 37.720 37.765 -0.045 19617 228 1 1 . 1 1 49 49 ASN H H 49 7.816 7.816 8.575 -0.759 19617 229 1 1 . 1 1 50 50 THR N N 50 119.289 119.289 111.528 7.761 19617 230 1 1 . 1 1 50 50 THR HA H 50 4.567 4.567 4.504 0.063 19617 231 1 1 . 1 1 50 50 THR CA C 50 62.137 62.137 62.620 -0.483 19617 232 1 1 . 1 1 50 50 THR CB C 50 67.100 67.100 70.227 -3.127 19617 233 1 1 . 1 1 50 50 THR H H 50 9.048 9.048 7.957 1.091 19617 234 1 1 . 1 1 51 51 ASP N N 51 118.825 118.825 120.480 -1.655 19617 235 1 1 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.793 -0.216 19617 236 1 1 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.398 0.292 19617 237 1 1 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.567 -2.909 19617 238 1 1 . 1 1 51 51 ASP H H 51 8.251 8.251 8.326 -0.075 19617 239 1 1 . 1 1 52 52 ILE N N 52 118.410 118.410 119.596 -1.186 19617 240 1 1 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.213 -0.287 19617 241 1 1 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.734 -0.053 19617 242 1 1 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.619 -0.723 19617 243 1 1 . 1 1 52 52 ILE H H 52 7.169 7.169 8.112 -0.943 19617 244 1 1 . 1 1 53 53 LEU N N 53 120.129 120.129 129.668 -9.539 19617 245 1 1 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.889 0.133 19617 246 1 1 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.774 -1.493 19617 247 1 1 . 1 1 53 53 LEU CB C 53 46.405 46.405 46.090 0.315 19617 248 1 1 . 1 1 53 53 LEU H H 53 7.876 7.876 8.500 -0.624 19617 249 1 1 . 1 1 54 54 SER N N 54 122.249 122.249 121.040 1.209 19617 250 1 1 . 1 1 54 54 SER HA H 54 4.954 4.954 4.841 0.113 19617 251 1 1 . 1 1 54 54 SER CA C 54 54.724 54.724 57.394 -2.670 19617 252 1 1 . 1 1 54 54 SER CB C 54 64.417 64.417 65.541 -1.124 19617 253 1 1 . 1 1 54 54 SER H H 54 8.650 8.650 8.932 -0.282 19617 254 1 1 . 1 1 55 55 ILE N N 55 123.973 123.973 125.617 -1.644 19617 255 1 1 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.385 0.517 19617 256 1 1 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.922 -1.054 19617 257 1 1 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.831 1.587 19617 258 1 1 . 1 1 55 55 ILE H H 55 9.081 9.081 8.511 0.570 19617 259 1 1 . 1 1 56 56 SER N N 56 119.541 119.541 123.885 -4.344 19617 260 1 1 . 1 1 56 56 SER HA H 56 4.384 4.384 3.612 0.772 19617 261 1 1 . 1 1 56 56 SER CA C 56 56.626 56.626 56.450 0.176 19617 262 1 1 . 1 1 56 56 SER CB C 56 63.106 63.106 66.343 -3.237 19617 263 1 1 . 1 1 56 56 SER H H 56 7.905 7.905 8.672 -0.767 19617 264 1 1 . 1 1 57 57 ASN N N 57 124.208 124.208 124.484 -0.276 19617 265 1 1 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.688 0.328 19617 266 1 1 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.705 -0.236 19617 267 1 1 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.808 1.282 19617 268 1 1 . 1 1 57 57 ASN H H 57 8.945 8.945 8.354 0.591 19617 269 1 1 . 1 1 58 58 ALA N N 58 124.301 124.301 126.285 -1.984 19617 270 1 1 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.085 0.049 19617 271 1 1 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.285 -0.998 19617 272 1 1 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.400 -1.046 19617 273 1 1 . 1 1 58 58 ALA H H 58 8.150 8.150 7.694 0.456 19617 274 1 1 . 1 1 59 59 SER N N 59 113.293 113.293 113.590 -0.297 19617 275 1 1 . 1 1 59 59 SER HA H 59 4.706 4.706 4.238 0.468 19617 276 1 1 . 1 1 59 59 SER CA C 59 60.003 60.003 59.834 0.169 19617 277 1 1 . 1 1 59 59 SER CB C 59 62.574 62.574 63.621 -1.047 19617 278 1 1 . 1 1 59 59 SER H H 59 8.377 8.377 8.369 0.008 19617 279 1 1 . 1 1 60 60 ASP N N 60 116.272 116.272 120.634 -4.362 19617 280 1 1 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.505 0.166 19617 281 1 1 . 1 1 60 60 ASP CA C 60 52.759 52.759 57.088 -4.329 19617 282 1 1 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.406 -1.694 19617 283 1 1 . 1 1 60 60 ASP H H 60 8.310 8.310 8.362 -0.052 19617 284 1 1 . 1 1 61 61 SER N N 61 112.651 112.651 109.229 3.422 19617 285 1 1 . 1 1 61 61 SER HA H 61 4.630 4.630 4.354 0.276 19617 286 1 1 . 1 1 61 61 SER CA C 61 56.180 56.180 58.258 -2.078 19617 287 1 1 . 1 1 61 61 SER CB C 61 61.843 61.843 63.800 -1.956 19617 288 1 1 . 1 1 61 61 SER H H 61 7.588 7.588 7.559 0.029 19617 289 1 1 . 1 1 62 62 HIS N N 62 119.790 119.790 119.903 -0.113 19617 290 1 1 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.606 -0.560 19617 291 1 1 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.157 0.761 19617 292 1 1 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.997 -2.473 19617 293 1 1 . 1 1 62 62 HIS H H 62 8.030 8.030 8.174 -0.144 19617 294 1 1 . 1 1 63 63 GLY N N 63 113.297 113.297 107.892 5.405 19617 295 1 1 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.614 0.039 19617 296 1 1 . 1 1 63 63 GLY H H 63 8.733 8.733 8.478 0.255 19617 297 1 1 . 1 1 64 64 LEU N N 64 120.663 120.663 120.236 0.427 19617 298 1 1 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.377 -0.991 19617 299 1 1 . 1 1 64 64 LEU CA C 64 54.893 54.893 52.900 1.993 19617 300 1 1 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.002 -1.539 19617 301 1 1 . 1 1 64 64 LEU H H 64 7.680 7.680 8.519 -0.839 19617 302 1 1 . 1 1 65 65 ALA N N 65 108.347 108.347 126.395 -18.048 19617 303 1 1 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.574 0.828 19617 304 1 1 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.325 -1.058 19617 305 1 1 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.630 0.925 19617 306 1 1 . 1 1 65 65 ALA H H 65 9.874 9.874 8.602 1.272 19617 307 1 1 . 1 1 66 66 SER N N 66 115.950 115.950 120.756 -4.806 19617 308 1 1 . 1 1 66 66 SER HA H 66 4.906 4.906 5.592 -0.686 19617 309 1 1 . 1 1 66 66 SER CA C 66 56.645 56.645 55.978 0.667 19617 310 1 1 . 1 1 66 66 SER CB C 66 63.823 63.823 64.351 -0.528 19617 311 1 1 . 1 1 66 66 SER H H 66 8.938 8.938 8.641 0.297 19617 312 1 1 . 1 1 67 67 THR N N 67 113.595 113.595 118.482 -4.887 19617 313 1 1 . 1 1 67 67 THR HA H 67 4.649 4.649 4.719 -0.070 19617 314 1 1 . 1 1 67 67 THR CA C 67 59.216 59.216 60.386 -1.170 19617 315 1 1 . 1 1 67 67 THR CB C 67 69.006 69.006 71.694 -2.688 19617 316 1 1 . 1 1 67 67 THR H H 67 8.257 8.257 8.425 -0.168 19617 317 1 1 . 1 1 68 68 LEU N N 68 124.152 124.152 122.662 1.490 19617 318 1 1 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.688 -0.326 19617 319 1 1 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.555 -0.443 19617 320 1 1 . 1 1 68 68 LEU CB C 68 42.915 42.915 44.022 -1.107 19617 321 1 1 . 1 1 68 68 LEU H H 68 8.616 8.616 8.068 0.548 19617 322 1 1 . 1 1 69 69 ASN N N 69 115.820 115.820 117.033 -1.213 19617 323 1 1 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.888 -0.228 19617 324 1 1 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.896 -0.440 19617 325 1 1 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.793 1.513 19617 326 1 1 . 1 1 69 69 ASN H H 69 7.965 7.965 7.768 0.197 19617 327 1 1 . 1 1 70 70 GLN N N 70 114.562 114.562 116.404 -1.842 19617 328 1 1 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.549 -0.623 19617 329 1 1 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.675 0.562 19617 330 1 1 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.141 -0.135 19617 331 1 1 . 1 1 70 70 GLN H H 70 8.287 8.287 8.618 -0.331 19617 332 1 1 . 1 1 71 71 GLY N N 71 108.005 108.005 113.143 -5.138 19617 333 1 1 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.547 -1.861 19617 334 1 1 . 1 1 71 71 GLY H H 71 8.520 8.520 8.502 0.018 19617 335 1 1 . 1 1 72 72 ASN N N 72 117.787 117.787 121.615 -3.828 19617 336 1 1 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.061 0.412 19617 337 1 1 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.156 -0.465 19617 338 1 1 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.505 -1.609 19617 339 1 1 . 1 1 72 72 ASN H H 72 8.420 8.420 8.220 0.200 19617 340 1 1 . 1 1 73 73 VAL N N 73 115.846 115.846 113.989 1.857 19617 341 1 1 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.593 -0.066 19617 342 1 1 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.752 -0.777 19617 343 1 1 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.142 0.037 19617 344 1 1 . 1 1 73 73 VAL H H 73 8.990 8.990 8.944 0.046 19617 345 1 1 . 1 1 74 74 LYS N N 74 123.195 123.195 124.362 -1.167 19617 346 1 1 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.761 0.393 19617 347 1 1 . 1 1 74 74 LYS CA C 74 53.881 53.881 53.868 0.013 19617 348 1 1 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.706 0.891 19617 349 1 1 . 1 1 74 74 LYS H H 74 8.715 8.715 8.027 0.688 19617 350 1 1 . 1 1 75 75 VAL N N 75 129.521 129.521 126.950 2.571 19617 351 1 1 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.577 -0.034 19617 352 1 1 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.665 -0.849 19617 353 1 1 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.816 -0.333 19617 354 1 1 . 1 1 75 75 VAL H H 75 8.975 8.975 8.269 0.706 19617 355 1 1 . 1 1 76 76 THR N N 76 120.544 120.544 117.561 2.983 19617 356 1 1 . 1 1 76 76 THR HA H 76 5.067 5.067 4.774 0.293 19617 357 1 1 . 1 1 76 76 THR CA C 76 59.783 59.783 59.931 -0.148 19617 358 1 1 . 1 1 76 76 THR CB C 76 70.733 70.733 71.524 -0.791 19617 359 1 1 . 1 1 76 76 THR H H 76 8.650 8.650 8.596 0.054 19617 360 1 1 . 1 1 77 77 ALA N N 77 126.453 126.453 125.532 0.921 19617 361 1 1 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.290 -0.910 19617 362 1 1 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.630 -3.200 19617 363 1 1 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.785 -2.241 19617 364 1 1 . 1 1 77 77 ALA H H 77 8.674 8.674 8.663 0.011 19617 365 1 1 . 1 1 78 78 SER N N 78 113.566 113.566 117.447 -3.881 19617 366 1 1 . 1 1 78 78 SER HA H 78 5.377 5.377 4.946 0.431 19617 367 1 1 . 1 1 78 78 SER CA C 78 56.077 56.077 57.613 -1.536 19617 368 1 1 . 1 1 78 78 SER CB C 78 65.730 65.730 66.322 -0.592 19617 369 1 1 . 1 1 78 78 SER H H 78 8.116 8.116 8.287 -0.171 19617 370 1 1 . 1 1 79 79 ILE N N 79 121.070 121.070 123.360 -2.290 19617 371 1 1 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.423 -0.275 19617 372 1 1 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.367 0.757 19617 373 1 1 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.326 -1.517 19617 374 1 1 . 1 1 79 79 ILE H H 79 8.446 8.446 7.823 0.623 19617 375 1 1 . 1 1 80 80 GLY N N 80 117.155 117.155 115.527 1.628 19617 376 1 1 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.168 -0.162 19617 377 1 1 . 1 1 80 80 GLY H H 80 8.899 8.899 8.663 0.236 19617 378 1 1 . 1 1 81 81 GLY N N 81 110.715 110.715 111.774 -1.059 19617 379 1 1 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.540 -0.162 19617 380 1 1 . 1 1 81 81 GLY H H 81 8.742 8.742 8.225 0.517 19617 381 1 1 . 1 1 82 82 ILE N N 82 124.113 124.113 121.119 2.994 19617 382 1 1 . 1 1 82 82 ILE HA H 82 4.202 4.202 3.982 0.220 19617 383 1 1 . 1 1 82 82 ILE CA C 82 59.033 59.033 62.731 -3.698 19617 384 1 1 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.451 -1.674 19617 385 1 1 . 1 1 82 82 ILE H H 82 8.188 8.188 8.278 -0.090 19617 386 1 1 . 1 1 83 83 GLN N N 83 122.453 122.453 121.893 0.560 19617 387 1 1 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.480 0.916 19617 388 1 1 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.540 -1.520 19617 389 1 1 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.537 -0.022 19617 390 1 1 . 1 1 83 83 GLN H H 83 8.423 8.423 8.158 0.265 19617 391 1 1 . 1 1 84 84 GLY N N 84 111.436 111.436 108.443 2.993 19617 392 1 1 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.429 -0.731 19617 393 1 1 . 1 1 84 84 GLY H H 84 8.931 8.931 8.226 0.705 19617 394 1 1 . 1 1 85 85 SER N N 85 113.877 113.877 113.423 0.454 19617 395 1 1 . 1 1 85 85 SER HA H 85 5.843 5.843 4.765 1.078 19617 396 1 1 . 1 1 85 85 SER CA C 85 56.264 56.264 57.222 -0.958 19617 397 1 1 . 1 1 85 85 SER CB C 85 66.946 66.946 66.369 0.577 19617 398 1 1 . 1 1 85 85 SER H H 85 8.710 8.710 8.286 0.424 19617 399 1 1 . 1 1 86 86 THR N N 86 115.389 115.389 115.513 -0.124 19617 400 1 1 . 1 1 86 86 THR HA H 86 4.772 4.772 4.541 0.231 19617 401 1 1 . 1 1 86 86 THR CA C 86 60.313 60.313 60.721 -0.409 19617 402 1 1 . 1 1 86 86 THR CB C 86 69.852 69.852 71.915 -2.063 19617 403 1 1 . 1 1 86 86 THR H H 86 8.854 8.854 9.037 -0.183 19617 404 1 1 . 1 1 87 87 ASP N N 87 124.622 124.622 125.059 -0.437 19617 405 1 1 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.917 0.521 19617 406 1 1 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.392 0.404 19617 407 1 1 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.068 -0.058 19617 408 1 1 . 1 1 87 87 ASP H H 87 7.953 7.953 8.525 -0.572 19617 409 1 1 . 1 1 88 88 PHE N N 88 123.577 123.577 125.851 -2.274 19617 410 1 1 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.101 -0.168 19617 411 1 1 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.832 0.136 19617 412 1 1 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.526 0.358 19617 413 1 1 . 1 1 88 88 PHE H H 88 9.094 9.094 8.515 0.579 19617 414 1 1 . 1 1 89 89 LYS N N 89 126.966 126.966 125.539 1.427 19617 415 1 1 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.813 0.224 19617 416 1 1 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.289 -1.401 19617 417 1 1 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.296 -0.627 19617 418 1 1 . 1 1 89 89 LYS H H 89 7.269 7.269 8.234 -0.965 19617 419 1 1 . 1 1 90 90 VAL N N 90 126.146 126.146 128.644 -2.498 19617 420 1 1 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.953 0.055 19617 421 1 1 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.025 -1.478 19617 422 1 1 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.624 -1.676 19617 423 1 1 . 1 1 90 90 VAL H H 90 9.086 9.086 8.513 0.573 19617 424 1 1 . 1 1 91 91 THR N N 91 120.506 120.506 117.016 3.490 19617 425 1 1 . 1 1 91 91 THR HA H 91 4.568 4.568 4.668 -0.100 19617 426 1 1 . 1 1 91 91 THR CA C 91 59.348 59.348 59.863 -0.515 19617 427 1 1 . 1 1 91 91 THR CB C 91 68.970 68.970 71.408 -2.438 19617 428 1 1 . 1 1 91 91 THR H H 91 8.757 8.757 8.234 0.523 19617 429 1 2 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.806 -0.535 19617 430 1 2 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.950 -1.728 19617 431 1 2 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.972 -1.556 19617 432 1 2 . 1 1 3 3 ALA N N 3 123.801 123.801 121.850 1.951 19617 433 1 2 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.516 -0.310 19617 434 1 2 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.048 0.346 19617 435 1 2 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.887 -3.047 19617 436 1 2 . 1 1 3 3 ALA H H 3 8.647 8.647 8.217 0.430 19617 437 1 2 . 1 1 4 4 ALA N N 4 124.058 124.058 121.802 2.256 19617 438 1 2 . 1 1 4 4 ALA HA H 4 4.679 4.679 5.193 -0.514 19617 439 1 2 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.493 -0.471 19617 440 1 2 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.231 -1.334 19617 441 1 2 . 1 1 4 4 ALA H H 4 8.239 8.239 8.070 0.169 19617 442 1 2 . 1 1 5 5 LEU N N 5 124.019 124.019 121.797 2.222 19617 443 1 2 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.476 -0.104 19617 444 1 2 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.908 0.100 19617 445 1 2 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.980 -0.738 19617 446 1 2 . 1 1 5 5 LEU H H 5 8.560 8.560 8.083 0.477 19617 447 1 2 . 1 1 6 6 VAL N N 6 123.358 123.358 121.308 2.050 19617 448 1 2 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.282 -0.181 19617 449 1 2 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.746 -0.406 19617 450 1 2 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.290 -0.342 19617 451 1 2 . 1 1 6 6 VAL H H 6 9.119 9.119 8.353 0.766 19617 452 1 2 . 1 1 7 7 SER N N 7 112.139 112.139 111.101 1.038 19617 453 1 2 . 1 1 7 7 SER HA H 7 4.445 4.445 4.822 -0.377 19617 454 1 2 . 1 1 7 7 SER CA C 7 56.349 56.349 58.165 -1.816 19617 455 1 2 . 1 1 7 7 SER CB C 7 64.361 64.361 66.002 -1.641 19617 456 1 2 . 1 1 7 7 SER H H 7 7.680 7.680 7.784 -0.104 19617 457 1 2 . 1 1 8 8 ILE N N 8 118.677 118.677 121.369 -2.692 19617 458 1 2 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.606 0.075 19617 459 1 2 . 1 1 8 8 ILE CA C 8 59.146 59.146 58.670 0.475 19617 460 1 2 . 1 1 8 8 ILE CB C 8 41.674 41.674 40.525 1.149 19617 461 1 2 . 1 1 8 8 ILE H H 8 8.354 8.354 8.848 -0.494 19617 462 1 2 . 1 1 9 9 SER N N 9 121.319 121.319 121.076 0.243 19617 463 1 2 . 1 1 9 9 SER HA H 9 4.859 4.859 4.636 0.223 19617 464 1 2 . 1 1 9 9 SER CA C 9 55.381 55.381 57.353 -1.972 19617 465 1 2 . 1 1 9 9 SER CB C 9 64.243 64.243 64.013 0.230 19617 466 1 2 . 1 1 9 9 SER H H 9 9.028 9.028 8.728 0.300 19617 467 1 2 . 1 1 10 10 VAL N N 10 127.508 127.508 126.416 1.092 19617 468 1 2 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.659 0.392 19617 469 1 2 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.009 0.903 19617 470 1 2 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.869 -0.482 19617 471 1 2 . 1 1 10 10 VAL H H 10 8.911 8.911 8.639 0.272 19617 472 1 2 . 1 1 11 11 SER N N 11 121.861 121.861 123.766 -1.905 19617 473 1 2 . 1 1 11 11 SER CB C 11 64.373 64.373 63.319 1.054 19617 474 1 2 . 1 1 11 11 SER H H 11 9.205 9.205 8.241 0.964 19617 475 1 2 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.218 0.492 19617 476 1 2 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.272 -1.373 19617 477 1 2 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.537 1.552 19617 478 1 2 . 1 1 13 13 THR N N 13 116.138 116.138 116.676 -0.538 19617 479 1 2 . 1 1 13 13 THR HA H 13 4.766 4.766 4.416 0.350 19617 480 1 2 . 1 1 13 13 THR CA C 13 60.153 60.153 60.993 -0.840 19617 481 1 2 . 1 1 13 13 THR CB C 13 69.426 69.426 70.356 -0.930 19617 482 1 2 . 1 1 13 13 THR H H 13 8.679 8.679 8.068 0.611 19617 483 1 2 . 1 1 14 14 ASN N N 14 124.457 124.457 126.100 -1.643 19617 484 1 2 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.945 -0.248 19617 485 1 2 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.135 -0.007 19617 486 1 2 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.732 -3.139 19617 487 1 2 . 1 1 14 14 ASN H H 14 8.710 8.710 8.777 -0.067 19617 488 1 2 . 1 1 15 15 SER N N 15 113.672 113.672 118.524 -4.852 19617 489 1 2 . 1 1 15 15 SER HA H 15 4.651 4.651 4.693 -0.042 19617 490 1 2 . 1 1 15 15 SER CA C 15 55.644 55.644 57.541 -1.897 19617 491 1 2 . 1 1 15 15 SER CB C 15 63.953 63.953 64.946 -0.993 19617 492 1 2 . 1 1 15 15 SER H H 15 9.127 9.127 9.059 0.068 19617 493 1 2 . 1 1 16 16 THR N N 16 113.578 113.578 113.582 -0.004 19617 494 1 2 . 1 1 16 16 THR HA H 16 4.975 4.975 4.842 0.133 19617 495 1 2 . 1 1 16 16 THR CA C 16 58.445 58.445 61.185 -2.740 19617 496 1 2 . 1 1 16 16 THR CB C 16 70.534 70.534 70.238 0.296 19617 497 1 2 . 1 1 16 16 THR H H 16 7.962 7.962 8.287 -0.325 19617 498 1 2 . 1 1 17 17 VAL N N 17 121.480 121.480 123.359 -1.879 19617 499 1 2 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.397 -0.075 19617 500 1 2 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.607 -0.670 19617 501 1 2 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.329 -0.925 19617 502 1 2 . 1 1 17 17 VAL H H 17 7.969 7.969 8.891 -0.922 19617 503 1 2 . 1 1 18 18 ALA N N 18 126.013 126.013 126.201 -0.188 19617 504 1 2 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.293 -0.118 19617 505 1 2 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.664 -0.701 19617 506 1 2 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.497 -0.575 19617 507 1 2 . 1 1 18 18 ALA H H 18 7.756 7.756 8.373 -0.617 19617 508 1 2 . 1 1 19 19 LYS N N 19 119.740 119.740 125.006 -5.266 19617 509 1 2 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.980 -0.491 19617 510 1 2 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.441 0.331 19617 511 1 2 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.941 -1.339 19617 512 1 2 . 1 1 19 19 LYS H H 19 7.892 7.892 8.526 -0.634 19617 513 1 2 . 1 1 20 20 GLY N N 20 116.706 116.706 112.233 4.473 19617 514 1 2 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.375 -1.612 19617 515 1 2 . 1 1 20 20 GLY H H 20 8.615 8.615 8.766 -0.151 19617 516 1 2 . 1 1 21 21 LEU N N 21 123.004 123.004 122.181 0.823 19617 517 1 2 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.666 -0.076 19617 518 1 2 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.861 -0.496 19617 519 1 2 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.475 -5.513 19617 520 1 2 . 1 1 21 21 LEU H H 21 8.013 8.013 7.616 0.397 19617 521 1 2 . 1 1 22 22 GLN N N 22 117.502 117.502 118.920 -1.418 19617 522 1 2 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.271 -0.145 19617 523 1 2 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.259 -0.590 19617 524 1 2 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.215 -0.301 19617 525 1 2 . 1 1 22 22 GLN H H 22 8.223 8.223 8.285 -0.062 19617 526 1 2 . 1 1 23 23 GLU N N 23 118.123 118.123 123.950 -5.827 19617 527 1 2 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.663 -0.101 19617 528 1 2 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.910 -2.043 19617 529 1 2 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.284 -0.410 19617 530 1 2 . 1 1 23 23 GLU H H 23 8.188 8.188 8.748 -0.560 19617 531 1 2 . 1 1 24 24 ASN N N 24 125.843 125.843 122.201 3.642 19617 532 1 2 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.076 -0.299 19617 533 1 2 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.818 -0.307 19617 534 1 2 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.227 0.519 19617 535 1 2 . 1 1 24 24 ASN H H 24 9.391 9.391 8.679 0.712 19617 536 1 2 . 1 1 25 25 PHE N N 25 122.822 122.822 122.696 0.126 19617 537 1 2 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.597 0.053 19617 538 1 2 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.349 -0.226 19617 539 1 2 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.414 -2.355 19617 540 1 2 . 1 1 25 25 PHE H H 25 8.059 8.059 8.451 -0.392 19617 541 1 2 . 1 1 26 26 LYS N N 26 119.114 119.114 120.044 -0.930 19617 542 1 2 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.612 0.632 19617 543 1 2 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.310 -2.334 19617 544 1 2 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.973 -0.312 19617 545 1 2 . 1 1 26 26 LYS H H 26 9.255 9.255 7.987 1.268 19617 546 1 2 . 1 1 27 27 ALA N N 27 125.586 125.586 128.750 -3.164 19617 547 1 2 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.261 0.002 19617 548 1 2 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.377 -2.560 19617 549 1 2 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.716 -0.556 19617 550 1 2 . 1 1 27 27 ALA H H 27 9.119 9.119 8.885 0.234 19617 551 1 2 . 1 1 28 28 THR N N 28 120.628 120.628 119.013 1.615 19617 552 1 2 . 1 1 28 28 THR HA H 28 4.843 4.843 4.597 0.246 19617 553 1 2 . 1 1 28 28 THR CA C 28 60.566 60.566 60.794 -0.227 19617 554 1 2 . 1 1 28 28 THR CB C 28 69.478 69.478 70.100 -0.622 19617 555 1 2 . 1 1 28 28 THR H H 28 9.061 9.061 8.355 0.706 19617 556 1 2 . 1 1 29 29 GLY N N 29 115.787 115.787 112.997 2.790 19617 557 1 2 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.020 0.296 19617 558 1 2 . 1 1 29 29 GLY H H 29 9.663 9.663 8.548 1.115 19617 559 1 2 . 1 1 30 30 ILE N N 30 123.084 123.084 121.768 1.316 19617 560 1 2 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.339 0.442 19617 561 1 2 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.043 -0.655 19617 562 1 2 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.273 -2.390 19617 563 1 2 . 1 1 30 30 ILE H H 30 7.914 7.914 7.686 0.228 19617 564 1 2 . 1 1 31 31 PHE N N 31 125.209 125.209 123.712 1.497 19617 565 1 2 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.999 0.371 19617 566 1 2 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.993 0.494 19617 567 1 2 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.452 -0.299 19617 568 1 2 . 1 1 31 31 PHE H H 31 8.316 8.316 8.306 0.010 19617 569 1 2 . 1 1 32 32 THR N N 32 113.843 113.843 116.957 -3.114 19617 570 1 2 . 1 1 32 32 THR HA H 32 4.409 4.409 4.134 0.275 19617 571 1 2 . 1 1 32 32 THR CA C 32 64.157 64.157 65.116 -0.959 19617 572 1 2 . 1 1 32 32 THR CB C 32 68.540 68.540 68.732 -0.192 19617 573 1 2 . 1 1 32 32 THR H H 32 9.335 9.335 8.915 0.420 19617 574 1 2 . 1 1 33 33 ASP N N 33 118.799 118.799 119.404 -0.605 19617 575 1 2 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.646 -0.024 19617 576 1 2 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.904 -1.941 19617 577 1 2 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.328 -1.834 19617 578 1 2 . 1 1 33 33 ASP H H 33 7.689 7.689 8.257 -0.568 19617 579 1 2 . 1 1 34 34 ASN N N 34 112.999 112.999 114.914 -1.915 19617 580 1 2 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.311 0.039 19617 581 1 2 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.633 -0.287 19617 582 1 2 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.942 -0.452 19617 583 1 2 . 1 1 34 34 ASN H H 34 8.370 8.370 8.116 0.254 19617 584 1 2 . 1 1 35 35 SER N N 35 115.544 115.544 114.732 0.812 19617 585 1 2 . 1 1 35 35 SER HA H 35 4.410 4.410 4.648 -0.238 19617 586 1 2 . 1 1 35 35 SER CA C 35 57.882 57.882 57.636 0.246 19617 587 1 2 . 1 1 35 35 SER CB C 35 63.770 63.770 63.583 0.187 19617 588 1 2 . 1 1 35 35 SER H H 35 7.990 7.990 8.430 -0.440 19617 589 1 2 . 1 1 36 36 ASN N N 36 116.055 116.055 121.369 -5.314 19617 590 1 2 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.810 -2.136 19617 591 1 2 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.308 2.491 19617 592 1 2 . 1 1 36 36 ASN H H 36 8.518 8.518 8.223 0.295 19617 593 1 2 . 1 1 37 37 SER N N 37 113.193 113.193 115.277 -2.084 19617 594 1 2 . 1 1 37 37 SER HA H 37 4.719 4.719 4.738 -0.019 19617 595 1 2 . 1 1 37 37 SER CA C 37 56.801 56.801 57.171 -0.370 19617 596 1 2 . 1 1 37 37 SER CB C 37 64.872 64.872 65.518 -0.646 19617 597 1 2 . 1 1 37 37 SER H H 37 8.667 8.667 8.641 0.026 19617 598 1 2 . 1 1 38 38 ASP N N 38 123.964 123.964 120.644 3.320 19617 599 1 2 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.731 0.251 19617 600 1 2 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.719 0.482 19617 601 1 2 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.775 -0.846 19617 602 1 2 . 1 1 38 38 ASP H H 38 8.849 8.849 8.589 0.260 19617 603 1 2 . 1 1 39 39 ILE N N 39 121.214 121.214 116.553 4.661 19617 604 1 2 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.854 1.022 19617 605 1 2 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.922 -2.215 19617 606 1 2 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.817 1.269 19617 607 1 2 . 1 1 39 39 ILE H H 39 8.816 8.816 8.709 0.107 19617 608 1 2 . 1 1 40 40 THR N N 40 122.861 122.861 115.408 7.453 19617 609 1 2 . 1 1 40 40 THR HA H 40 4.289 4.289 4.087 0.202 19617 610 1 2 . 1 1 40 40 THR CB C 40 68.527 68.527 68.885 -0.358 19617 611 1 2 . 1 1 40 40 THR H H 40 8.679 8.679 8.292 0.387 19617 612 1 2 . 1 1 41 41 ASP N N 41 114.076 114.076 119.858 -5.782 19617 613 1 2 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.831 -1.134 19617 614 1 2 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.663 -0.184 19617 615 1 2 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.737 -2.019 19617 616 1 2 . 1 1 41 41 ASP H H 41 8.539 8.539 8.057 0.482 19617 617 1 2 . 1 1 42 42 GLN N N 42 117.086 117.086 116.221 0.865 19617 618 1 2 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.930 0.216 19617 619 1 2 . 1 1 42 42 GLN CA C 42 55.536 55.536 57.961 -2.425 19617 620 1 2 . 1 1 42 42 GLN CB C 42 30.216 30.216 28.463 1.752 19617 621 1 2 . 1 1 42 42 GLN H H 42 7.718 7.718 8.093 -0.375 19617 622 1 2 . 1 1 43 43 VAL N N 43 109.916 109.916 116.807 -6.891 19617 623 1 2 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.727 0.364 19617 624 1 2 . 1 1 43 43 VAL CA C 43 58.840 58.840 64.342 -5.502 19617 625 1 2 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.421 -0.148 19617 626 1 2 . 1 1 43 43 VAL H H 43 6.902 6.902 7.905 -1.003 19617 627 1 2 . 1 1 44 44 THR N N 44 116.270 116.270 121.728 -5.458 19617 628 1 2 . 1 1 44 44 THR HA H 44 4.311 4.311 4.396 -0.085 19617 629 1 2 . 1 1 44 44 THR CA C 44 61.651 61.651 62.409 -0.758 19617 630 1 2 . 1 1 44 44 THR CB C 44 68.890 68.890 69.240 -0.350 19617 631 1 2 . 1 1 44 44 THR H H 44 8.787 8.787 8.014 0.773 19617 632 1 2 . 1 1 45 45 TRP N N 45 132.099 132.099 123.793 8.306 19617 633 1 2 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.458 -0.212 19617 634 1 2 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.765 0.622 19617 635 1 2 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.551 -1.474 19617 636 1 2 . 1 1 45 45 TRP H H 45 10.351 10.351 7.847 2.504 19617 637 1 2 . 1 1 46 46 ASP N N 46 121.897 121.897 120.051 1.846 19617 638 1 2 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.162 -0.303 19617 639 1 2 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.072 -1.275 19617 640 1 2 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.838 0.237 19617 641 1 2 . 1 1 46 46 ASP H H 46 9.471 9.471 8.449 1.022 19617 642 1 2 . 1 1 47 47 SER N N 47 113.805 113.805 117.695 -3.890 19617 643 1 2 . 1 1 47 47 SER HA H 47 5.044 5.044 5.041 0.003 19617 644 1 2 . 1 1 47 47 SER CA C 47 53.059 53.059 56.433 -3.374 19617 645 1 2 . 1 1 47 47 SER CB C 47 64.880 64.880 65.720 -0.840 19617 646 1 2 . 1 1 47 47 SER H H 47 8.502 8.502 8.550 -0.048 19617 647 1 2 . 1 1 48 48 SER N N 48 119.614 119.614 118.051 1.563 19617 648 1 2 . 1 1 48 48 SER HA H 48 4.281 4.281 4.342 -0.061 19617 649 1 2 . 1 1 48 48 SER CA C 48 59.404 59.404 59.156 0.248 19617 650 1 2 . 1 1 48 48 SER CB C 48 62.026 62.026 63.981 -1.955 19617 651 1 2 . 1 1 48 48 SER H H 48 8.518 8.518 8.361 0.157 19617 652 1 2 . 1 1 49 49 ASN N N 49 118.260 118.260 119.822 -1.562 19617 653 1 2 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.978 -0.083 19617 654 1 2 . 1 1 49 49 ASN CA C 49 52.841 52.841 52.814 0.027 19617 655 1 2 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.848 -1.128 19617 656 1 2 . 1 1 49 49 ASN H H 49 7.816 7.816 8.628 -0.812 19617 657 1 2 . 1 1 50 50 THR N N 50 119.289 119.289 115.000 4.289 19617 658 1 2 . 1 1 50 50 THR HA H 50 4.567 4.567 4.028 0.539 19617 659 1 2 . 1 1 50 50 THR CA C 50 62.137 62.137 65.459 -3.322 19617 660 1 2 . 1 1 50 50 THR CB C 50 67.100 67.100 69.062 -1.962 19617 661 1 2 . 1 1 50 50 THR H H 50 9.048 9.048 7.731 1.317 19617 662 1 2 . 1 1 51 51 ASP N N 51 118.825 118.825 118.609 0.216 19617 663 1 2 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.740 -0.163 19617 664 1 2 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.930 -0.240 19617 665 1 2 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.329 -2.671 19617 666 1 2 . 1 1 51 51 ASP H H 51 8.251 8.251 8.327 -0.076 19617 667 1 2 . 1 1 52 52 ILE N N 52 118.410 118.410 117.639 0.771 19617 668 1 2 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.270 -0.344 19617 669 1 2 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.425 0.256 19617 670 1 2 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.434 -0.538 19617 671 1 2 . 1 1 52 52 ILE H H 52 7.169 7.169 7.748 -0.579 19617 672 1 2 . 1 1 53 53 LEU N N 53 120.129 120.129 129.340 -9.211 19617 673 1 2 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.886 0.136 19617 674 1 2 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.610 -0.329 19617 675 1 2 . 1 1 53 53 LEU CB C 53 46.405 46.405 43.903 2.502 19617 676 1 2 . 1 1 53 53 LEU H H 53 7.876 7.876 8.369 -0.493 19617 677 1 2 . 1 1 54 54 SER N N 54 122.249 122.249 120.648 1.601 19617 678 1 2 . 1 1 54 54 SER HA H 54 4.954 4.954 4.739 0.214 19617 679 1 2 . 1 1 54 54 SER CA C 54 54.724 54.724 57.398 -2.675 19617 680 1 2 . 1 1 54 54 SER CB C 54 64.417 64.417 64.981 -0.563 19617 681 1 2 . 1 1 54 54 SER H H 54 8.650 8.650 8.878 -0.228 19617 682 1 2 . 1 1 55 55 ILE N N 55 123.973 123.973 125.696 -1.723 19617 683 1 2 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.353 0.549 19617 684 1 2 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.392 -1.524 19617 685 1 2 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.364 0.054 19617 686 1 2 . 1 1 55 55 ILE H H 55 9.081 9.081 8.298 0.783 19617 687 1 2 . 1 1 56 56 SER N N 56 119.541 119.541 122.020 -2.479 19617 688 1 2 . 1 1 56 56 SER HA H 56 4.384 4.384 4.290 0.094 19617 689 1 2 . 1 1 56 56 SER CA C 56 56.626 56.626 56.840 -0.214 19617 690 1 2 . 1 1 56 56 SER CB C 56 63.106 63.106 64.865 -1.759 19617 691 1 2 . 1 1 56 56 SER H H 56 7.905 7.905 8.221 -0.316 19617 692 1 2 . 1 1 57 57 ASN N N 57 124.208 124.208 125.038 -0.830 19617 693 1 2 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.821 0.195 19617 694 1 2 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.428 0.041 19617 695 1 2 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.770 1.321 19617 696 1 2 . 1 1 57 57 ASN H H 57 8.945 8.945 8.668 0.277 19617 697 1 2 . 1 1 58 58 ALA N N 58 124.301 124.301 120.851 3.450 19617 698 1 2 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.420 -0.286 19617 699 1 2 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.499 -1.212 19617 700 1 2 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.338 -0.984 19617 701 1 2 . 1 1 58 58 ALA H H 58 8.150 8.150 8.007 0.143 19617 702 1 2 . 1 1 59 59 SER N N 59 113.293 113.293 114.321 -1.028 19617 703 1 2 . 1 1 59 59 SER HA H 59 4.706 4.706 4.169 0.537 19617 704 1 2 . 1 1 59 59 SER CA C 59 60.003 60.003 61.179 -1.176 19617 705 1 2 . 1 1 59 59 SER CB C 59 62.574 62.574 63.437 -0.862 19617 706 1 2 . 1 1 59 59 SER H H 59 8.377 8.377 8.446 -0.069 19617 707 1 2 . 1 1 60 60 ASP N N 60 116.272 116.272 114.760 1.512 19617 708 1 2 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.686 -0.015 19617 709 1 2 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.344 -0.585 19617 710 1 2 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.438 -1.726 19617 711 1 2 . 1 1 60 60 ASP H H 60 8.310 8.310 7.517 0.793 19617 712 1 2 . 1 1 61 61 SER N N 61 112.651 112.651 115.022 -2.371 19617 713 1 2 . 1 1 61 61 SER HA H 61 4.630 4.630 4.223 0.407 19617 714 1 2 . 1 1 61 61 SER CA C 61 56.180 56.180 60.434 -4.254 19617 715 1 2 . 1 1 61 61 SER CB C 61 61.843 61.843 63.680 -1.837 19617 716 1 2 . 1 1 61 61 SER H H 61 7.588 7.588 8.341 -0.753 19617 717 1 2 . 1 1 62 62 HIS N N 62 119.790 119.790 117.415 2.375 19617 718 1 2 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.753 -0.707 19617 719 1 2 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.972 1.947 19617 720 1 2 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.664 -3.140 19617 721 1 2 . 1 1 62 62 HIS H H 62 8.030 8.030 7.819 0.211 19617 722 1 2 . 1 1 63 63 GLY N N 63 113.297 113.297 108.059 5.238 19617 723 1 2 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.833 -0.180 19617 724 1 2 . 1 1 63 63 GLY H H 63 8.733 8.733 8.741 -0.008 19617 725 1 2 . 1 1 64 64 LEU N N 64 120.663 120.663 122.717 -2.054 19617 726 1 2 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.063 -0.677 19617 727 1 2 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.790 1.103 19617 728 1 2 . 1 1 64 64 LEU CB C 64 41.463 41.463 41.561 -0.098 19617 729 1 2 . 1 1 64 64 LEU H H 64 7.680 7.680 8.047 -0.367 19617 730 1 2 . 1 1 65 65 ALA N N 65 108.347 108.347 126.843 -18.496 19617 731 1 2 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.480 0.922 19617 732 1 2 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.699 -1.432 19617 733 1 2 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.548 1.007 19617 734 1 2 . 1 1 65 65 ALA H H 65 9.874 9.874 8.828 1.046 19617 735 1 2 . 1 1 66 66 SER N N 66 115.950 115.950 119.830 -3.880 19617 736 1 2 . 1 1 66 66 SER HA H 66 4.906 4.906 5.391 -0.485 19617 737 1 2 . 1 1 66 66 SER CA C 66 56.645 56.645 56.684 -0.039 19617 738 1 2 . 1 1 66 66 SER CB C 66 63.823 63.823 65.318 -1.495 19617 739 1 2 . 1 1 66 66 SER H H 66 8.938 8.938 8.581 0.357 19617 740 1 2 . 1 1 67 67 THR N N 67 113.595 113.595 121.694 -8.099 19617 741 1 2 . 1 1 67 67 THR HA H 67 4.649 4.649 4.783 -0.134 19617 742 1 2 . 1 1 67 67 THR CA C 67 59.216 59.216 60.179 -0.964 19617 743 1 2 . 1 1 67 67 THR CB C 67 69.006 69.006 70.880 -1.874 19617 744 1 2 . 1 1 67 67 THR H H 67 8.257 8.257 8.128 0.129 19617 745 1 2 . 1 1 68 68 LEU N N 68 124.152 124.152 125.230 -1.078 19617 746 1 2 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.591 -0.229 19617 747 1 2 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.770 0.342 19617 748 1 2 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.015 -0.100 19617 749 1 2 . 1 1 68 68 LEU H H 68 8.616 8.616 8.115 0.501 19617 750 1 2 . 1 1 69 69 ASN N N 69 115.820 115.820 117.147 -1.327 19617 751 1 2 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.881 -0.221 19617 752 1 2 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.619 -0.163 19617 753 1 2 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.343 1.963 19617 754 1 2 . 1 1 69 69 ASN H H 69 7.965 7.965 7.636 0.329 19617 755 1 2 . 1 1 70 70 GLN N N 70 114.562 114.562 117.824 -3.262 19617 756 1 2 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.534 -0.608 19617 757 1 2 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.501 -0.264 19617 758 1 2 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.236 -0.230 19617 759 1 2 . 1 1 70 70 GLN H H 70 8.287 8.287 8.686 -0.399 19617 760 1 2 . 1 1 71 71 GLY N N 71 108.005 108.005 109.919 -1.914 19617 761 1 2 . 1 1 71 71 GLY CA C 71 43.686 43.686 46.077 -2.391 19617 762 1 2 . 1 1 71 71 GLY H H 71 8.520 8.520 7.936 0.584 19617 763 1 2 . 1 1 72 72 ASN N N 72 117.787 117.787 119.867 -2.080 19617 764 1 2 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.934 0.539 19617 765 1 2 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.231 -0.540 19617 766 1 2 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.837 -1.941 19617 767 1 2 . 1 1 72 72 ASN H H 72 8.420 8.420 8.130 0.290 19617 768 1 2 . 1 1 73 73 VAL N N 73 115.846 115.846 118.748 -2.902 19617 769 1 2 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.388 0.139 19617 770 1 2 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.488 -2.513 19617 771 1 2 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.126 -0.947 19617 772 1 2 . 1 1 73 73 VAL H H 73 8.990 8.990 8.998 -0.008 19617 773 1 2 . 1 1 74 74 LYS N N 74 123.195 123.195 126.777 -3.582 19617 774 1 2 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.659 0.495 19617 775 1 2 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.607 -1.726 19617 776 1 2 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.339 -0.742 19617 777 1 2 . 1 1 74 74 LYS H H 74 8.715 8.715 8.645 0.070 19617 778 1 2 . 1 1 75 75 VAL N N 75 129.521 129.521 129.006 0.515 19617 779 1 2 . 1 1 75 75 VAL HA H 75 4.543 4.543 5.085 -0.542 19617 780 1 2 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.397 -0.581 19617 781 1 2 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.911 -0.428 19617 782 1 2 . 1 1 75 75 VAL H H 75 8.975 8.975 8.075 0.900 19617 783 1 2 . 1 1 76 76 THR N N 76 120.544 120.544 118.318 2.226 19617 784 1 2 . 1 1 76 76 THR HA H 76 5.067 5.067 4.952 0.115 19617 785 1 2 . 1 1 76 76 THR CA C 76 59.783 59.783 59.672 0.111 19617 786 1 2 . 1 1 76 76 THR CB C 76 70.733 70.733 71.332 -0.599 19617 787 1 2 . 1 1 76 76 THR H H 76 8.650 8.650 8.498 0.152 19617 788 1 2 . 1 1 77 77 ALA N N 77 126.453 126.453 126.128 0.325 19617 789 1 2 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.426 -1.046 19617 790 1 2 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.284 -2.854 19617 791 1 2 . 1 1 77 77 ALA CB C 77 20.544 20.544 23.026 -2.482 19617 792 1 2 . 1 1 77 77 ALA H H 77 8.674 8.674 8.532 0.142 19617 793 1 2 . 1 1 78 78 SER N N 78 113.566 113.566 116.324 -2.758 19617 794 1 2 . 1 1 78 78 SER HA H 78 5.377 5.377 4.938 0.439 19617 795 1 2 . 1 1 78 78 SER CA C 78 56.077 56.077 57.027 -0.950 19617 796 1 2 . 1 1 78 78 SER CB C 78 65.730 65.730 65.599 0.131 19617 797 1 2 . 1 1 78 78 SER H H 78 8.116 8.116 8.220 -0.104 19617 798 1 2 . 1 1 79 79 ILE N N 79 121.070 121.070 125.995 -4.925 19617 799 1 2 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.527 -0.379 19617 800 1 2 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.664 1.460 19617 801 1 2 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.894 -2.085 19617 802 1 2 . 1 1 79 79 ILE H H 79 8.446 8.446 7.892 0.554 19617 803 1 2 . 1 1 80 80 GLY N N 80 117.155 117.155 116.350 0.805 19617 804 1 2 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.649 -0.643 19617 805 1 2 . 1 1 80 80 GLY H H 80 8.899 8.899 8.679 0.220 19617 806 1 2 . 1 1 81 81 GLY N N 81 110.715 110.715 110.041 0.674 19617 807 1 2 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.134 -0.756 19617 808 1 2 . 1 1 81 81 GLY H H 81 8.742 8.742 8.461 0.281 19617 809 1 2 . 1 1 82 82 ILE N N 82 124.113 124.113 121.310 2.803 19617 810 1 2 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.216 -0.014 19617 811 1 2 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.752 -0.719 19617 812 1 2 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.368 -1.591 19617 813 1 2 . 1 1 82 82 ILE H H 82 8.188 8.188 7.929 0.259 19617 814 1 2 . 1 1 83 83 GLN N N 83 122.453 122.453 121.898 0.555 19617 815 1 2 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.578 0.818 19617 816 1 2 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.265 -1.245 19617 817 1 2 . 1 1 83 83 GLN CB C 83 32.515 32.515 31.932 0.583 19617 818 1 2 . 1 1 83 83 GLN H H 83 8.423 8.423 8.312 0.111 19617 819 1 2 . 1 1 84 84 GLY N N 84 111.436 111.436 108.529 2.907 19617 820 1 2 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.127 -0.429 19617 821 1 2 . 1 1 84 84 GLY H H 84 8.931 8.931 9.009 -0.078 19617 822 1 2 . 1 1 85 85 SER N N 85 113.877 113.877 116.822 -2.945 19617 823 1 2 . 1 1 85 85 SER HA H 85 5.843 5.843 4.954 0.889 19617 824 1 2 . 1 1 85 85 SER CA C 85 56.264 56.264 57.260 -0.996 19617 825 1 2 . 1 1 85 85 SER CB C 85 66.946 66.946 66.128 0.818 19617 826 1 2 . 1 1 85 85 SER H H 85 8.710 8.710 8.443 0.267 19617 827 1 2 . 1 1 86 86 THR N N 86 115.389 115.389 115.879 -0.490 19617 828 1 2 . 1 1 86 86 THR HA H 86 4.772 4.772 4.653 0.119 19617 829 1 2 . 1 1 86 86 THR CA C 86 60.313 60.313 60.704 -0.391 19617 830 1 2 . 1 1 86 86 THR CB C 86 69.852 69.852 70.957 -1.105 19617 831 1 2 . 1 1 86 86 THR H H 86 8.854 8.854 8.508 0.346 19617 832 1 2 . 1 1 87 87 ASP N N 87 124.622 124.622 124.048 0.574 19617 833 1 2 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.774 0.664 19617 834 1 2 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.047 0.749 19617 835 1 2 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.035 -1.025 19617 836 1 2 . 1 1 87 87 ASP H H 87 7.953 7.953 8.287 -0.334 19617 837 1 2 . 1 1 88 88 PHE N N 88 123.577 123.577 125.452 -1.875 19617 838 1 2 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.468 -0.535 19617 839 1 2 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.834 1.134 19617 840 1 2 . 1 1 88 88 PHE CB C 88 42.884 42.884 41.768 1.116 19617 841 1 2 . 1 1 88 88 PHE H H 88 9.094 9.094 8.577 0.517 19617 842 1 2 . 1 1 89 89 LYS N N 89 126.966 126.966 125.591 1.375 19617 843 1 2 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.699 0.338 19617 844 1 2 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.856 -0.967 19617 845 1 2 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.401 0.268 19617 846 1 2 . 1 1 89 89 LYS H H 89 7.269 7.269 8.817 -1.548 19617 847 1 2 . 1 1 90 90 VAL N N 90 126.146 126.146 124.032 2.114 19617 848 1 2 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.431 -0.423 19617 849 1 2 . 1 1 90 90 VAL CA C 90 59.547 59.547 58.949 0.598 19617 850 1 2 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.396 -0.448 19617 851 1 2 . 1 1 90 90 VAL H H 90 9.086 9.086 7.944 1.142 19617 852 1 2 . 1 1 91 91 THR N N 91 120.506 120.506 116.656 3.850 19617 853 1 2 . 1 1 91 91 THR HA H 91 4.568 4.568 4.794 -0.226 19617 854 1 2 . 1 1 91 91 THR CA C 91 59.348 59.348 60.170 -0.822 19617 855 1 2 . 1 1 91 91 THR CB C 91 68.970 68.970 71.294 -2.324 19617 856 1 2 . 1 1 91 91 THR H H 91 8.757 8.757 7.811 0.946 19617 857 1 3 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.571 -0.300 19617 858 1 3 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.792 -1.571 19617 859 1 3 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.825 -1.409 19617 860 1 3 . 1 1 3 3 ALA N N 3 123.801 123.801 124.263 -0.462 19617 861 1 3 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.541 -0.335 19617 862 1 3 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.681 -0.286 19617 863 1 3 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.331 -1.491 19617 864 1 3 . 1 1 3 3 ALA H H 3 8.647 8.647 8.484 0.163 19617 865 1 3 . 1 1 4 4 ALA N N 4 124.058 124.058 127.149 -3.091 19617 866 1 3 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.463 0.216 19617 867 1 3 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.851 -1.829 19617 868 1 3 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.511 0.386 19617 869 1 3 . 1 1 4 4 ALA H H 4 8.239 8.239 8.247 -0.008 19617 870 1 3 . 1 1 5 5 LEU N N 5 124.019 124.019 120.592 3.427 19617 871 1 3 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.399 -1.027 19617 872 1 3 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.998 -0.990 19617 873 1 3 . 1 1 5 5 LEU CB C 5 41.242 41.242 40.576 0.666 19617 874 1 3 . 1 1 5 5 LEU H H 5 8.560 8.560 8.537 0.023 19617 875 1 3 . 1 1 6 6 VAL N N 6 123.358 123.358 123.117 0.241 19617 876 1 3 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.250 -0.149 19617 877 1 3 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.460 -0.120 19617 878 1 3 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.358 -0.410 19617 879 1 3 . 1 1 6 6 VAL H H 6 9.119 9.119 8.985 0.134 19617 880 1 3 . 1 1 7 7 SER N N 7 112.139 112.139 112.719 -0.580 19617 881 1 3 . 1 1 7 7 SER HA H 7 4.445 4.445 4.581 -0.136 19617 882 1 3 . 1 1 7 7 SER CA C 7 56.349 56.349 58.374 -2.025 19617 883 1 3 . 1 1 7 7 SER CB C 7 64.361 64.361 64.730 -0.369 19617 884 1 3 . 1 1 7 7 SER H H 7 7.680 7.680 7.472 0.208 19617 885 1 3 . 1 1 8 8 ILE N N 8 118.677 118.677 120.698 -2.021 19617 886 1 3 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.297 0.384 19617 887 1 3 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.820 -1.674 19617 888 1 3 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.294 -0.620 19617 889 1 3 . 1 1 8 8 ILE H H 8 8.354 8.354 8.345 0.009 19617 890 1 3 . 1 1 9 9 SER N N 9 121.319 121.319 122.147 -0.828 19617 891 1 3 . 1 1 9 9 SER HA H 9 4.859 4.859 4.766 0.093 19617 892 1 3 . 1 1 9 9 SER CA C 9 55.381 55.381 57.714 -2.333 19617 893 1 3 . 1 1 9 9 SER CB C 9 64.243 64.243 63.709 0.533 19617 894 1 3 . 1 1 9 9 SER H H 9 9.028 9.028 8.491 0.537 19617 895 1 3 . 1 1 10 10 VAL N N 10 127.508 127.508 126.047 1.461 19617 896 1 3 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.376 0.675 19617 897 1 3 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.919 -0.007 19617 898 1 3 . 1 1 10 10 VAL CB C 10 33.387 33.387 32.866 0.521 19617 899 1 3 . 1 1 10 10 VAL H H 10 8.911 8.911 8.512 0.399 19617 900 1 3 . 1 1 11 11 SER N N 11 121.861 121.861 124.632 -2.771 19617 901 1 3 . 1 1 11 11 SER CB C 11 64.373 64.373 62.998 1.375 19617 902 1 3 . 1 1 11 11 SER H H 11 9.205 9.205 8.581 0.624 19617 903 1 3 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.489 0.221 19617 904 1 3 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.735 -1.836 19617 905 1 3 . 1 1 12 12 PRO CB C 12 34.089 34.089 31.986 2.103 19617 906 1 3 . 1 1 13 13 THR N N 13 116.138 116.138 114.062 2.076 19617 907 1 3 . 1 1 13 13 THR HA H 13 4.766 4.766 4.366 0.400 19617 908 1 3 . 1 1 13 13 THR CA C 13 60.153 60.153 60.517 -0.364 19617 909 1 3 . 1 1 13 13 THR CB C 13 69.426 69.426 69.873 -0.447 19617 910 1 3 . 1 1 13 13 THR H H 13 8.679 8.679 8.196 0.483 19617 911 1 3 . 1 1 14 14 ASN N N 14 124.457 124.457 126.486 -2.029 19617 912 1 3 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.037 -0.340 19617 913 1 3 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.193 -0.065 19617 914 1 3 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.772 -3.179 19617 915 1 3 . 1 1 14 14 ASN H H 14 8.710 8.710 8.727 -0.017 19617 916 1 3 . 1 1 15 15 SER N N 15 113.672 113.672 118.551 -4.879 19617 917 1 3 . 1 1 15 15 SER HA H 15 4.651 4.651 4.759 -0.108 19617 918 1 3 . 1 1 15 15 SER CA C 15 55.644 55.644 57.224 -1.580 19617 919 1 3 . 1 1 15 15 SER CB C 15 63.953 63.953 64.798 -0.845 19617 920 1 3 . 1 1 15 15 SER H H 15 9.127 9.127 8.983 0.144 19617 921 1 3 . 1 1 16 16 THR N N 16 113.578 113.578 113.570 0.008 19617 922 1 3 . 1 1 16 16 THR HA H 16 4.975 4.975 4.724 0.251 19617 923 1 3 . 1 1 16 16 THR CA C 16 58.445 58.445 61.360 -2.915 19617 924 1 3 . 1 1 16 16 THR CB C 16 70.534 70.534 70.139 0.395 19617 925 1 3 . 1 1 16 16 THR H H 16 7.962 7.962 8.268 -0.306 19617 926 1 3 . 1 1 17 17 VAL N N 17 121.480 121.480 121.928 -0.448 19617 927 1 3 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.425 -0.103 19617 928 1 3 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.333 0.604 19617 929 1 3 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.878 -0.474 19617 930 1 3 . 1 1 17 17 VAL H H 17 7.969 7.969 8.986 -1.017 19617 931 1 3 . 1 1 18 18 ALA N N 18 126.013 126.013 128.155 -2.142 19617 932 1 3 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.289 -0.114 19617 933 1 3 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.981 -1.018 19617 934 1 3 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.586 -0.664 19617 935 1 3 . 1 1 18 18 ALA H H 18 7.756 7.756 8.292 -0.536 19617 936 1 3 . 1 1 19 19 LYS N N 19 119.740 119.740 121.585 -1.845 19617 937 1 3 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.988 -0.499 19617 938 1 3 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.189 0.583 19617 939 1 3 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.974 -1.372 19617 940 1 3 . 1 1 19 19 LYS H H 19 7.892 7.892 8.484 -0.592 19617 941 1 3 . 1 1 20 20 GLY N N 20 116.706 116.706 113.292 3.414 19617 942 1 3 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.408 -1.645 19617 943 1 3 . 1 1 20 20 GLY H H 20 8.615 8.615 8.716 -0.101 19617 944 1 3 . 1 1 21 21 LEU N N 21 123.004 123.004 122.390 0.614 19617 945 1 3 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.412 0.178 19617 946 1 3 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.997 -0.632 19617 947 1 3 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.203 -5.242 19617 948 1 3 . 1 1 21 21 LEU H H 21 8.013 8.013 7.669 0.344 19617 949 1 3 . 1 1 22 22 GLN N N 22 117.502 117.502 117.888 -0.386 19617 950 1 3 . 1 1 22 22 GLN HA H 22 5.126 5.126 4.915 0.211 19617 951 1 3 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.469 0.200 19617 952 1 3 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.094 -0.180 19617 953 1 3 . 1 1 22 22 GLN H H 22 8.223 8.223 8.250 -0.027 19617 954 1 3 . 1 1 23 23 GLU N N 23 118.123 118.123 121.258 -3.135 19617 955 1 3 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.676 -0.114 19617 956 1 3 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.291 -2.424 19617 957 1 3 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.507 -0.632 19617 958 1 3 . 1 1 23 23 GLU H H 23 8.188 8.188 8.344 -0.156 19617 959 1 3 . 1 1 24 24 ASN N N 24 125.843 125.843 122.112 3.731 19617 960 1 3 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.809 -0.032 19617 961 1 3 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.987 -0.476 19617 962 1 3 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.309 0.437 19617 963 1 3 . 1 1 24 24 ASN H H 24 9.391 9.391 8.606 0.785 19617 964 1 3 . 1 1 25 25 PHE N N 25 122.822 122.822 115.736 7.086 19617 965 1 3 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.891 -0.241 19617 966 1 3 . 1 1 25 25 PHE CA C 25 57.123 57.123 55.867 1.256 19617 967 1 3 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.051 -1.992 19617 968 1 3 . 1 1 25 25 PHE H H 25 8.059 8.059 7.681 0.378 19617 969 1 3 . 1 1 26 26 LYS N N 26 119.114 119.114 119.884 -0.770 19617 970 1 3 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.689 0.555 19617 971 1 3 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.314 -3.338 19617 972 1 3 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.568 -1.907 19617 973 1 3 . 1 1 26 26 LYS H H 26 9.255 9.255 8.810 0.445 19617 974 1 3 . 1 1 27 27 ALA N N 27 125.586 125.586 128.874 -3.288 19617 975 1 3 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.165 0.098 19617 976 1 3 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.338 -2.521 19617 977 1 3 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.025 -0.865 19617 978 1 3 . 1 1 27 27 ALA H H 27 9.119 9.119 8.980 0.139 19617 979 1 3 . 1 1 28 28 THR N N 28 120.628 120.628 121.262 -0.634 19617 980 1 3 . 1 1 28 28 THR HA H 28 4.843 4.843 4.640 0.203 19617 981 1 3 . 1 1 28 28 THR CA C 28 60.566 60.566 61.171 -0.605 19617 982 1 3 . 1 1 28 28 THR CB C 28 69.478 69.478 69.597 -0.119 19617 983 1 3 . 1 1 28 28 THR H H 28 9.061 9.061 8.138 0.923 19617 984 1 3 . 1 1 29 29 GLY N N 29 115.787 115.787 113.529 2.258 19617 985 1 3 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.663 0.654 19617 986 1 3 . 1 1 29 29 GLY H H 29 9.663 9.663 8.781 0.882 19617 987 1 3 . 1 1 30 30 ILE N N 30 123.084 123.084 123.442 -0.358 19617 988 1 3 . 1 1 30 30 ILE HA H 30 4.781 4.781 5.072 -0.291 19617 989 1 3 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.569 0.819 19617 990 1 3 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.021 -3.138 19617 991 1 3 . 1 1 30 30 ILE H H 30 7.914 7.914 8.156 -0.242 19617 992 1 3 . 1 1 31 31 PHE N N 31 125.209 125.209 126.520 -1.311 19617 993 1 3 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.972 0.398 19617 994 1 3 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.554 -0.067 19617 995 1 3 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.330 -1.177 19617 996 1 3 . 1 1 31 31 PHE H H 31 8.316 8.316 7.945 0.371 19617 997 1 3 . 1 1 32 32 THR N N 32 113.843 113.843 116.678 -2.835 19617 998 1 3 . 1 1 32 32 THR HA H 32 4.409 4.409 4.201 0.208 19617 999 1 3 . 1 1 32 32 THR CA C 32 64.157 64.157 65.388 -1.231 19617 1000 1 3 . 1 1 32 32 THR CB C 32 68.540 68.540 68.905 -0.365 19617 1001 1 3 . 1 1 32 32 THR H H 32 9.335 9.335 8.550 0.785 19617 1002 1 3 . 1 1 33 33 ASP N N 33 118.799 118.799 119.647 -0.848 19617 1003 1 3 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.617 0.005 19617 1004 1 3 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.823 -1.860 19617 1005 1 3 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.197 -2.703 19617 1006 1 3 . 1 1 33 33 ASP H H 33 7.689 7.689 8.050 -0.361 19617 1007 1 3 . 1 1 34 34 ASN N N 34 112.999 112.999 117.862 -4.863 19617 1008 1 3 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.802 -0.452 19617 1009 1 3 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.382 0.964 19617 1010 1 3 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.222 -3.732 19617 1011 1 3 . 1 1 34 34 ASN H H 34 8.370 8.370 7.590 0.780 19617 1012 1 3 . 1 1 35 35 SER N N 35 115.544 115.544 118.802 -3.258 19617 1013 1 3 . 1 1 35 35 SER HA H 35 4.410 4.410 4.166 0.244 19617 1014 1 3 . 1 1 35 35 SER CA C 35 57.882 57.882 62.253 -4.371 19617 1015 1 3 . 1 1 35 35 SER CB C 35 63.770 63.770 63.668 0.102 19617 1016 1 3 . 1 1 35 35 SER H H 35 7.990 7.990 8.837 -0.847 19617 1017 1 3 . 1 1 36 36 ASN N N 36 116.055 116.055 115.083 0.972 19617 1018 1 3 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.294 -1.620 19617 1019 1 3 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.531 1.268 19617 1020 1 3 . 1 1 36 36 ASN H H 36 8.518 8.518 8.064 0.454 19617 1021 1 3 . 1 1 37 37 SER N N 37 113.193 113.193 115.987 -2.794 19617 1022 1 3 . 1 1 37 37 SER HA H 37 4.719 4.719 4.610 0.109 19617 1023 1 3 . 1 1 37 37 SER CA C 37 56.801 56.801 57.774 -0.973 19617 1024 1 3 . 1 1 37 37 SER CB C 37 64.872 64.872 65.313 -0.441 19617 1025 1 3 . 1 1 37 37 SER H H 37 8.667 8.667 8.666 0.001 19617 1026 1 3 . 1 1 38 38 ASP N N 38 123.964 123.964 127.775 -3.811 19617 1027 1 3 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.914 0.068 19617 1028 1 3 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.429 0.772 19617 1029 1 3 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.451 -0.522 19617 1030 1 3 . 1 1 38 38 ASP H H 38 8.849 8.849 8.779 0.070 19617 1031 1 3 . 1 1 39 39 ILE N N 39 121.214 121.214 118.375 2.839 19617 1032 1 3 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.747 1.129 19617 1033 1 3 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.248 -1.541 19617 1034 1 3 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.559 1.528 19617 1035 1 3 . 1 1 39 39 ILE H H 39 8.816 8.816 8.538 0.278 19617 1036 1 3 . 1 1 40 40 THR N N 40 122.861 122.861 113.026 9.835 19617 1037 1 3 . 1 1 40 40 THR HA H 40 4.289 4.289 4.097 0.192 19617 1038 1 3 . 1 1 40 40 THR CB C 40 68.527 68.527 68.765 -0.238 19617 1039 1 3 . 1 1 40 40 THR H H 40 8.679 8.679 8.285 0.394 19617 1040 1 3 . 1 1 41 41 ASP N N 41 114.076 114.076 119.341 -5.265 19617 1041 1 3 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.571 -0.874 19617 1042 1 3 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.339 -0.861 19617 1043 1 3 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.963 -2.245 19617 1044 1 3 . 1 1 41 41 ASP H H 41 8.539 8.539 8.289 0.250 19617 1045 1 3 . 1 1 42 42 GLN N N 42 117.086 117.086 117.506 -0.420 19617 1046 1 3 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.126 0.020 19617 1047 1 3 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.819 -0.283 19617 1048 1 3 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.935 2.281 19617 1049 1 3 . 1 1 42 42 GLN H H 42 7.718 7.718 7.945 -0.227 19617 1050 1 3 . 1 1 43 43 VAL N N 43 109.916 109.916 114.599 -4.683 19617 1051 1 3 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.910 0.181 19617 1052 1 3 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.092 -4.252 19617 1053 1 3 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.182 -0.909 19617 1054 1 3 . 1 1 43 43 VAL H H 43 6.902 6.902 7.902 -1.000 19617 1055 1 3 . 1 1 44 44 THR N N 44 116.270 116.270 122.357 -6.087 19617 1056 1 3 . 1 1 44 44 THR HA H 44 4.311 4.311 4.443 -0.132 19617 1057 1 3 . 1 1 44 44 THR CA C 44 61.651 61.651 62.093 -0.442 19617 1058 1 3 . 1 1 44 44 THR CB C 44 68.890 68.890 69.282 -0.392 19617 1059 1 3 . 1 1 44 44 THR H H 44 8.787 8.787 7.957 0.830 19617 1060 1 3 . 1 1 45 45 TRP N N 45 132.099 132.099 124.748 7.351 19617 1061 1 3 . 1 1 45 45 TRP HA H 45 5.246 5.246 4.851 0.395 19617 1062 1 3 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.276 0.112 19617 1063 1 3 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.507 -0.430 19617 1064 1 3 . 1 1 45 45 TRP H H 45 10.351 10.351 8.043 2.308 19617 1065 1 3 . 1 1 46 46 ASP N N 46 121.897 121.897 120.847 1.050 19617 1066 1 3 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.137 -0.278 19617 1067 1 3 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.339 -0.542 19617 1068 1 3 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.642 0.433 19617 1069 1 3 . 1 1 46 46 ASP H H 46 9.471 9.471 8.307 1.164 19617 1070 1 3 . 1 1 47 47 SER N N 47 113.805 113.805 117.459 -3.654 19617 1071 1 3 . 1 1 47 47 SER HA H 47 5.044 5.044 4.749 0.295 19617 1072 1 3 . 1 1 47 47 SER CA C 47 53.059 53.059 56.928 -3.869 19617 1073 1 3 . 1 1 47 47 SER CB C 47 64.880 64.880 65.970 -1.090 19617 1074 1 3 . 1 1 47 47 SER H H 47 8.502 8.502 8.455 0.047 19617 1075 1 3 . 1 1 48 48 SER N N 48 119.614 119.614 117.165 2.449 19617 1076 1 3 . 1 1 48 48 SER HA H 48 4.281 4.281 4.448 -0.167 19617 1077 1 3 . 1 1 48 48 SER CA C 48 59.404 59.404 60.165 -0.761 19617 1078 1 3 . 1 1 48 48 SER CB C 48 62.026 62.026 63.987 -1.961 19617 1079 1 3 . 1 1 48 48 SER H H 48 8.518 8.518 8.267 0.251 19617 1080 1 3 . 1 1 49 49 ASN N N 49 118.260 118.260 119.479 -1.219 19617 1081 1 3 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.934 -0.039 19617 1082 1 3 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.036 -0.195 19617 1083 1 3 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.088 -0.368 19617 1084 1 3 . 1 1 49 49 ASN H H 49 7.816 7.816 8.595 -0.779 19617 1085 1 3 . 1 1 50 50 THR N N 50 119.289 119.289 114.039 5.250 19617 1086 1 3 . 1 1 50 50 THR HA H 50 4.567 4.567 4.413 0.154 19617 1087 1 3 . 1 1 50 50 THR CA C 50 62.137 62.137 63.314 -1.177 19617 1088 1 3 . 1 1 50 50 THR CB C 50 67.100 67.100 69.755 -2.655 19617 1089 1 3 . 1 1 50 50 THR H H 50 9.048 9.048 8.104 0.944 19617 1090 1 3 . 1 1 51 51 ASP N N 51 118.825 118.825 119.461 -0.636 19617 1091 1 3 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.741 -0.164 19617 1092 1 3 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.447 0.243 19617 1093 1 3 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.346 -2.688 19617 1094 1 3 . 1 1 51 51 ASP H H 51 8.251 8.251 8.073 0.178 19617 1095 1 3 . 1 1 52 52 ILE N N 52 118.410 118.410 119.237 -0.827 19617 1096 1 3 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.293 -0.367 19617 1097 1 3 . 1 1 52 52 ILE CA C 52 61.681 61.681 62.029 -0.348 19617 1098 1 3 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.351 -0.455 19617 1099 1 3 . 1 1 52 52 ILE H H 52 7.169 7.169 7.912 -0.743 19617 1100 1 3 . 1 1 53 53 LEU N N 53 120.129 120.129 129.241 -9.112 19617 1101 1 3 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.945 0.077 19617 1102 1 3 . 1 1 53 53 LEU CA C 53 53.281 53.281 55.116 -1.835 19617 1103 1 3 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.427 0.978 19617 1104 1 3 . 1 1 53 53 LEU H H 53 7.876 7.876 8.478 -0.602 19617 1105 1 3 . 1 1 54 54 SER N N 54 122.249 122.249 119.988 2.261 19617 1106 1 3 . 1 1 54 54 SER HA H 54 4.954 4.954 4.873 0.081 19617 1107 1 3 . 1 1 54 54 SER CA C 54 54.724 54.724 57.859 -3.135 19617 1108 1 3 . 1 1 54 54 SER CB C 54 64.417 64.417 65.197 -0.780 19617 1109 1 3 . 1 1 54 54 SER H H 54 8.650 8.650 8.845 -0.195 19617 1110 1 3 . 1 1 55 55 ILE N N 55 123.973 123.973 125.613 -1.640 19617 1111 1 3 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.362 0.540 19617 1112 1 3 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.949 -1.081 19617 1113 1 3 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.193 1.225 19617 1114 1 3 . 1 1 55 55 ILE H H 55 9.081 9.081 8.319 0.762 19617 1115 1 3 . 1 1 56 56 SER N N 56 119.541 119.541 123.645 -4.104 19617 1116 1 3 . 1 1 56 56 SER HA H 56 4.384 4.384 4.329 0.055 19617 1117 1 3 . 1 1 56 56 SER CA C 56 56.626 56.626 57.100 -0.474 19617 1118 1 3 . 1 1 56 56 SER CB C 56 63.106 63.106 64.394 -1.288 19617 1119 1 3 . 1 1 56 56 SER H H 56 7.905 7.905 8.396 -0.491 19617 1120 1 3 . 1 1 57 57 ASN N N 57 124.208 124.208 123.100 1.108 19617 1121 1 3 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.631 0.385 19617 1122 1 3 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.118 -0.649 19617 1123 1 3 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.072 1.018 19617 1124 1 3 . 1 1 57 57 ASN H H 57 8.945 8.945 8.281 0.664 19617 1125 1 3 . 1 1 58 58 ALA N N 58 124.301 124.301 124.808 -0.507 19617 1126 1 3 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.419 -0.285 19617 1127 1 3 . 1 1 58 58 ALA CA C 58 51.287 51.287 50.870 0.417 19617 1128 1 3 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.722 -1.368 19617 1129 1 3 . 1 1 58 58 ALA H H 58 8.150 8.150 7.685 0.465 19617 1130 1 3 . 1 1 59 59 SER N N 59 113.293 113.293 115.297 -2.004 19617 1131 1 3 . 1 1 59 59 SER HA H 59 4.706 4.706 4.317 0.389 19617 1132 1 3 . 1 1 59 59 SER CA C 59 60.003 60.003 60.158 -0.155 19617 1133 1 3 . 1 1 59 59 SER CB C 59 62.574 62.574 63.410 -0.836 19617 1134 1 3 . 1 1 59 59 SER H H 59 8.377 8.377 8.524 -0.147 19617 1135 1 3 . 1 1 60 60 ASP N N 60 116.272 116.272 117.152 -0.880 19617 1136 1 3 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.882 -0.211 19617 1137 1 3 . 1 1 60 60 ASP CA C 60 52.759 52.759 52.759 -0.000 19617 1138 1 3 . 1 1 60 60 ASP CB C 60 39.712 39.712 43.195 -3.483 19617 1139 1 3 . 1 1 60 60 ASP H H 60 8.310 8.310 7.666 0.644 19617 1140 1 3 . 1 1 61 61 SER N N 61 112.651 112.651 116.211 -3.560 19617 1141 1 3 . 1 1 61 61 SER HA H 61 4.630 4.630 4.214 0.416 19617 1142 1 3 . 1 1 61 61 SER CA C 61 56.180 56.180 60.964 -4.784 19617 1143 1 3 . 1 1 61 61 SER CB C 61 61.843 61.843 63.427 -1.584 19617 1144 1 3 . 1 1 61 61 SER H H 61 7.588 7.588 8.638 -1.050 19617 1145 1 3 . 1 1 62 62 HIS N N 62 119.790 119.790 118.822 0.968 19617 1146 1 3 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.004 0.042 19617 1147 1 3 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.220 0.699 19617 1148 1 3 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.966 -2.442 19617 1149 1 3 . 1 1 62 62 HIS H H 62 8.030 8.030 8.002 0.028 19617 1150 1 3 . 1 1 63 63 GLY N N 63 113.297 113.297 108.973 4.324 19617 1151 1 3 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.683 -0.030 19617 1152 1 3 . 1 1 63 63 GLY H H 63 8.733 8.733 6.687 2.046 19617 1153 1 3 . 1 1 64 64 LEU N N 64 120.663 120.663 114.081 6.582 19617 1154 1 3 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.876 -0.490 19617 1155 1 3 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.408 0.485 19617 1156 1 3 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.868 -2.405 19617 1157 1 3 . 1 1 64 64 LEU H H 64 7.680 7.680 7.915 -0.235 19617 1158 1 3 . 1 1 65 65 ALA N N 65 108.347 108.347 125.458 -17.111 19617 1159 1 3 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.710 0.692 19617 1160 1 3 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.570 -1.303 19617 1161 1 3 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.700 0.855 19617 1162 1 3 . 1 1 65 65 ALA H H 65 9.874 9.874 8.767 1.107 19617 1163 1 3 . 1 1 66 66 SER N N 66 115.950 115.950 120.420 -4.470 19617 1164 1 3 . 1 1 66 66 SER HA H 66 4.906 4.906 5.380 -0.474 19617 1165 1 3 . 1 1 66 66 SER CA C 66 56.645 56.645 57.070 -0.425 19617 1166 1 3 . 1 1 66 66 SER CB C 66 63.823 63.823 65.614 -1.791 19617 1167 1 3 . 1 1 66 66 SER H H 66 8.938 8.938 8.571 0.367 19617 1168 1 3 . 1 1 67 67 THR N N 67 113.595 113.595 120.123 -6.528 19617 1169 1 3 . 1 1 67 67 THR HA H 67 4.649 4.649 4.756 -0.107 19617 1170 1 3 . 1 1 67 67 THR CA C 67 59.216 59.216 61.671 -2.455 19617 1171 1 3 . 1 1 67 67 THR CB C 67 69.006 69.006 70.645 -1.639 19617 1172 1 3 . 1 1 67 67 THR H H 67 8.257 8.257 8.305 -0.048 19617 1173 1 3 . 1 1 68 68 LEU N N 68 124.152 124.152 130.159 -6.007 19617 1174 1 3 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.758 -0.396 19617 1175 1 3 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.240 0.872 19617 1176 1 3 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.324 -0.409 19617 1177 1 3 . 1 1 68 68 LEU H H 68 8.616 8.616 8.495 0.121 19617 1178 1 3 . 1 1 69 69 ASN N N 69 115.820 115.820 118.309 -2.489 19617 1179 1 3 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.917 -0.257 19617 1180 1 3 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.252 0.204 19617 1181 1 3 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.221 1.085 19617 1182 1 3 . 1 1 69 69 ASN H H 69 7.965 7.965 7.709 0.256 19617 1183 1 3 . 1 1 70 70 GLN N N 70 114.562 114.562 119.285 -4.723 19617 1184 1 3 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.698 -0.772 19617 1185 1 3 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.474 -0.237 19617 1186 1 3 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.747 0.259 19617 1187 1 3 . 1 1 70 70 GLN H H 70 8.287 8.287 8.628 -0.341 19617 1188 1 3 . 1 1 71 71 GLY N N 71 108.005 108.005 111.667 -3.662 19617 1189 1 3 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.963 -2.277 19617 1190 1 3 . 1 1 71 71 GLY H H 71 8.520 8.520 8.074 0.446 19617 1191 1 3 . 1 1 72 72 ASN N N 72 117.787 117.787 120.803 -3.016 19617 1192 1 3 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.292 0.181 19617 1193 1 3 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.179 -0.488 19617 1194 1 3 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.268 -1.372 19617 1195 1 3 . 1 1 72 72 ASN H H 72 8.420 8.420 8.241 0.179 19617 1196 1 3 . 1 1 73 73 VAL N N 73 115.846 115.846 114.511 1.335 19617 1197 1 3 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.527 0.000 19617 1198 1 3 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.802 -0.827 19617 1199 1 3 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.306 0.873 19617 1200 1 3 . 1 1 73 73 VAL H H 73 8.990 8.990 9.018 -0.028 19617 1201 1 3 . 1 1 74 74 LYS N N 74 123.195 123.195 125.142 -1.947 19617 1202 1 3 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.969 0.185 19617 1203 1 3 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.038 -0.156 19617 1204 1 3 . 1 1 74 74 LYS CB C 74 33.597 33.597 35.211 -1.614 19617 1205 1 3 . 1 1 74 74 LYS H H 74 8.715 8.715 8.279 0.436 19617 1206 1 3 . 1 1 75 75 VAL N N 75 129.521 129.521 126.967 2.554 19617 1207 1 3 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.478 0.065 19617 1208 1 3 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.840 -0.024 19617 1209 1 3 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.871 0.612 19617 1210 1 3 . 1 1 75 75 VAL H H 75 8.975 8.975 8.945 0.030 19617 1211 1 3 . 1 1 76 76 THR N N 76 120.544 120.544 124.429 -3.885 19617 1212 1 3 . 1 1 76 76 THR HA H 76 5.067 5.067 4.862 0.205 19617 1213 1 3 . 1 1 76 76 THR CA C 76 59.783 59.783 61.420 -1.637 19617 1214 1 3 . 1 1 76 76 THR CB C 76 70.733 70.733 69.972 0.762 19617 1215 1 3 . 1 1 76 76 THR H H 76 8.650 8.650 8.534 0.116 19617 1216 1 3 . 1 1 77 77 ALA N N 77 126.453 126.453 129.190 -2.737 19617 1217 1 3 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.297 -0.917 19617 1218 1 3 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.020 -2.590 19617 1219 1 3 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.544 -2.001 19617 1220 1 3 . 1 1 77 77 ALA H H 77 8.674 8.674 8.641 0.033 19617 1221 1 3 . 1 1 78 78 SER N N 78 113.566 113.566 117.202 -3.636 19617 1222 1 3 . 1 1 78 78 SER HA H 78 5.377 5.377 4.869 0.508 19617 1223 1 3 . 1 1 78 78 SER CA C 78 56.077 56.077 57.974 -1.897 19617 1224 1 3 . 1 1 78 78 SER CB C 78 65.730 65.730 66.690 -0.960 19617 1225 1 3 . 1 1 78 78 SER H H 78 8.116 8.116 8.231 -0.115 19617 1226 1 3 . 1 1 79 79 ILE N N 79 121.070 121.070 123.739 -2.669 19617 1227 1 3 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.507 -0.359 19617 1228 1 3 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.831 1.293 19617 1229 1 3 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.965 -2.156 19617 1230 1 3 . 1 1 79 79 ILE H H 79 8.446 8.446 7.952 0.494 19617 1231 1 3 . 1 1 80 80 GLY N N 80 117.155 117.155 116.689 0.466 19617 1232 1 3 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.387 -0.381 19617 1233 1 3 . 1 1 80 80 GLY H H 80 8.899 8.899 8.793 0.106 19617 1234 1 3 . 1 1 81 81 GLY N N 81 110.715 110.715 111.041 -0.326 19617 1235 1 3 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.692 -0.314 19617 1236 1 3 . 1 1 81 81 GLY H H 81 8.742 8.742 8.615 0.127 19617 1237 1 3 . 1 1 82 82 ILE N N 82 124.113 124.113 118.811 5.302 19617 1238 1 3 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.396 -0.194 19617 1239 1 3 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.884 -1.851 19617 1240 1 3 . 1 1 82 82 ILE CB C 82 36.777 36.777 39.240 -2.463 19617 1241 1 3 . 1 1 82 82 ILE H H 82 8.188 8.188 7.463 0.725 19617 1242 1 3 . 1 1 83 83 GLN N N 83 122.453 122.453 121.475 0.978 19617 1243 1 3 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.799 0.597 19617 1244 1 3 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.605 -1.585 19617 1245 1 3 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.826 -0.311 19617 1246 1 3 . 1 1 83 83 GLN H H 83 8.423 8.423 8.193 0.230 19617 1247 1 3 . 1 1 84 84 GLY N N 84 111.436 111.436 108.939 2.497 19617 1248 1 3 . 1 1 84 84 GLY CA C 84 43.698 43.698 45.739 -2.041 19617 1249 1 3 . 1 1 84 84 GLY H H 84 8.931 8.931 8.721 0.210 19617 1250 1 3 . 1 1 85 85 SER N N 85 113.877 113.877 115.284 -1.407 19617 1251 1 3 . 1 1 85 85 SER HA H 85 5.843 5.843 5.427 0.416 19617 1252 1 3 . 1 1 85 85 SER CA C 85 56.264 56.264 57.353 -1.089 19617 1253 1 3 . 1 1 85 85 SER CB C 85 66.946 66.946 67.520 -0.574 19617 1254 1 3 . 1 1 85 85 SER H H 85 8.710 8.710 8.222 0.488 19617 1255 1 3 . 1 1 86 86 THR N N 86 115.389 115.389 113.344 2.045 19617 1256 1 3 . 1 1 86 86 THR HA H 86 4.772 4.772 4.629 0.143 19617 1257 1 3 . 1 1 86 86 THR CA C 86 60.313 60.313 60.227 0.085 19617 1258 1 3 . 1 1 86 86 THR CB C 86 69.852 69.852 71.933 -2.081 19617 1259 1 3 . 1 1 86 86 THR H H 86 8.854 8.854 8.741 0.113 19617 1260 1 3 . 1 1 87 87 ASP N N 87 124.622 124.622 122.753 1.869 19617 1261 1 3 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.858 0.580 19617 1262 1 3 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.536 0.260 19617 1263 1 3 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.792 -0.782 19617 1264 1 3 . 1 1 87 87 ASP H H 87 7.953 7.953 8.413 -0.460 19617 1265 1 3 . 1 1 88 88 PHE N N 88 123.577 123.577 124.974 -1.397 19617 1266 1 3 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.625 -0.692 19617 1267 1 3 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.653 1.315 19617 1268 1 3 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.464 -0.580 19617 1269 1 3 . 1 1 88 88 PHE H H 88 9.094 9.094 9.253 -0.159 19617 1270 1 3 . 1 1 89 89 LYS N N 89 126.966 126.966 123.631 3.335 19617 1271 1 3 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.918 0.119 19617 1272 1 3 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.382 -1.493 19617 1273 1 3 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.538 -0.869 19617 1274 1 3 . 1 1 89 89 LYS H H 89 7.269 7.269 8.478 -1.209 19617 1275 1 3 . 1 1 90 90 VAL N N 90 126.146 126.146 128.248 -2.102 19617 1276 1 3 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.131 -0.123 19617 1277 1 3 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.978 -1.431 19617 1278 1 3 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.825 -0.876 19617 1279 1 3 . 1 1 90 90 VAL H H 90 9.086 9.086 8.157 0.929 19617 1280 1 3 . 1 1 91 91 THR N N 91 120.506 120.506 120.513 -0.007 19617 1281 1 3 . 1 1 91 91 THR HA H 91 4.568 4.568 4.702 -0.134 19617 1282 1 3 . 1 1 91 91 THR CA C 91 59.348 59.348 59.809 -0.461 19617 1283 1 3 . 1 1 91 91 THR CB C 91 68.970 68.970 71.257 -2.287 19617 1284 1 3 . 1 1 91 91 THR H H 91 8.757 8.757 7.881 0.876 19617 1285 1 4 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.461 -0.190 19617 1286 1 4 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.074 -1.853 19617 1287 1 4 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.366 -0.950 19617 1288 1 4 . 1 1 3 3 ALA N N 3 123.801 123.801 124.282 -0.481 19617 1289 1 4 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.020 0.186 19617 1290 1 4 . 1 1 3 3 ALA CA C 3 51.395 51.395 54.015 -2.620 19617 1291 1 4 . 1 1 3 3 ALA CB C 3 18.840 18.840 17.678 1.162 19617 1292 1 4 . 1 1 3 3 ALA H H 3 8.647 8.647 8.417 0.230 19617 1293 1 4 . 1 1 4 4 ALA N N 4 124.058 124.058 124.680 -0.622 19617 1294 1 4 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.192 0.487 19617 1295 1 4 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.872 -0.850 19617 1296 1 4 . 1 1 4 4 ALA CB C 4 19.897 19.897 18.999 0.898 19617 1297 1 4 . 1 1 4 4 ALA H H 4 8.239 8.239 7.968 0.271 19617 1298 1 4 . 1 1 5 5 LEU N N 5 124.019 124.019 123.861 0.158 19617 1299 1 4 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.043 0.329 19617 1300 1 4 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.966 0.042 19617 1301 1 4 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.248 -0.006 19617 1302 1 4 . 1 1 5 5 LEU H H 5 8.560 8.560 7.202 1.358 19617 1303 1 4 . 1 1 6 6 VAL N N 6 123.358 123.358 122.047 1.311 19617 1304 1 4 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.232 -0.131 19617 1305 1 4 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.580 -0.240 19617 1306 1 4 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.632 -0.684 19617 1307 1 4 . 1 1 6 6 VAL H H 6 9.119 9.119 8.234 0.885 19617 1308 1 4 . 1 1 7 7 SER N N 7 112.139 112.139 112.808 -0.669 19617 1309 1 4 . 1 1 7 7 SER HA H 7 4.445 4.445 4.810 -0.365 19617 1310 1 4 . 1 1 7 7 SER CA C 7 56.349 56.349 58.262 -1.913 19617 1311 1 4 . 1 1 7 7 SER CB C 7 64.361 64.361 65.432 -1.071 19617 1312 1 4 . 1 1 7 7 SER H H 7 7.680 7.680 7.947 -0.267 19617 1313 1 4 . 1 1 8 8 ILE N N 8 118.677 118.677 119.904 -1.227 19617 1314 1 4 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.939 -0.258 19617 1315 1 4 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.212 -0.067 19617 1316 1 4 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.409 0.265 19617 1317 1 4 . 1 1 8 8 ILE H H 8 8.354 8.354 8.495 -0.141 19617 1318 1 4 . 1 1 9 9 SER N N 9 121.319 121.319 118.925 2.394 19617 1319 1 4 . 1 1 9 9 SER HA H 9 4.859 4.859 4.772 0.087 19617 1320 1 4 . 1 1 9 9 SER CA C 9 55.381 55.381 57.735 -2.354 19617 1321 1 4 . 1 1 9 9 SER CB C 9 64.243 64.243 63.942 0.301 19617 1322 1 4 . 1 1 9 9 SER H H 9 9.028 9.028 8.601 0.427 19617 1323 1 4 . 1 1 10 10 VAL N N 10 127.508 127.508 125.910 1.598 19617 1324 1 4 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.664 0.387 19617 1325 1 4 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.320 0.592 19617 1326 1 4 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.301 0.086 19617 1327 1 4 . 1 1 10 10 VAL H H 10 8.911 8.911 8.535 0.376 19617 1328 1 4 . 1 1 11 11 SER N N 11 121.861 121.861 124.354 -2.493 19617 1329 1 4 . 1 1 11 11 SER CB C 11 64.373 64.373 63.380 0.993 19617 1330 1 4 . 1 1 11 11 SER H H 11 9.205 9.205 8.443 0.762 19617 1331 1 4 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.139 0.571 19617 1332 1 4 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.396 -1.497 19617 1333 1 4 . 1 1 12 12 PRO CB C 12 34.089 34.089 31.956 2.132 19617 1334 1 4 . 1 1 13 13 THR N N 13 116.138 116.138 117.201 -1.063 19617 1335 1 4 . 1 1 13 13 THR HA H 13 4.766 4.766 4.394 0.372 19617 1336 1 4 . 1 1 13 13 THR CA C 13 60.153 60.153 61.395 -1.242 19617 1337 1 4 . 1 1 13 13 THR CB C 13 69.426 69.426 70.202 -0.776 19617 1338 1 4 . 1 1 13 13 THR H H 13 8.679 8.679 8.187 0.492 19617 1339 1 4 . 1 1 14 14 ASN N N 14 124.457 124.457 126.194 -1.737 19617 1340 1 4 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.734 -0.037 19617 1341 1 4 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.369 -0.241 19617 1342 1 4 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.269 -2.676 19617 1343 1 4 . 1 1 14 14 ASN H H 14 8.710 8.710 8.733 -0.023 19617 1344 1 4 . 1 1 15 15 SER N N 15 113.672 113.672 118.836 -5.164 19617 1345 1 4 . 1 1 15 15 SER HA H 15 4.651 4.651 4.742 -0.091 19617 1346 1 4 . 1 1 15 15 SER CA C 15 55.644 55.644 57.277 -1.633 19617 1347 1 4 . 1 1 15 15 SER CB C 15 63.953 63.953 65.027 -1.074 19617 1348 1 4 . 1 1 15 15 SER H H 15 9.127 9.127 8.392 0.735 19617 1349 1 4 . 1 1 16 16 THR N N 16 113.578 113.578 112.925 0.653 19617 1350 1 4 . 1 1 16 16 THR HA H 16 4.975 4.975 4.620 0.355 19617 1351 1 4 . 1 1 16 16 THR CA C 16 58.445 58.445 61.288 -2.843 19617 1352 1 4 . 1 1 16 16 THR CB C 16 70.534 70.534 70.168 0.366 19617 1353 1 4 . 1 1 16 16 THR H H 16 7.962 7.962 8.272 -0.310 19617 1354 1 4 . 1 1 17 17 VAL N N 17 121.480 121.480 122.467 -0.987 19617 1355 1 4 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.456 -0.134 19617 1356 1 4 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.801 0.136 19617 1357 1 4 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.025 -0.621 19617 1358 1 4 . 1 1 17 17 VAL H H 17 7.969 7.969 8.732 -0.763 19617 1359 1 4 . 1 1 18 18 ALA N N 18 126.013 126.013 128.483 -2.470 19617 1360 1 4 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.341 -0.166 19617 1361 1 4 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.916 -0.953 19617 1362 1 4 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.703 -0.780 19617 1363 1 4 . 1 1 18 18 ALA H H 18 7.756 7.756 8.397 -0.641 19617 1364 1 4 . 1 1 19 19 LYS N N 19 119.740 119.740 120.813 -1.073 19617 1365 1 4 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.931 -0.442 19617 1366 1 4 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.731 1.040 19617 1367 1 4 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.230 -0.628 19617 1368 1 4 . 1 1 19 19 LYS H H 19 7.892 7.892 8.398 -0.506 19617 1369 1 4 . 1 1 20 20 GLY N N 20 116.706 116.706 112.290 4.416 19617 1370 1 4 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.606 -1.843 19617 1371 1 4 . 1 1 20 20 GLY H H 20 8.615 8.615 8.665 -0.050 19617 1372 1 4 . 1 1 21 21 LEU N N 21 123.004 123.004 122.547 0.457 19617 1373 1 4 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.746 -0.156 19617 1374 1 4 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.426 -0.061 19617 1375 1 4 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.966 -6.004 19617 1376 1 4 . 1 1 21 21 LEU H H 21 8.013 8.013 7.681 0.332 19617 1377 1 4 . 1 1 22 22 GLN N N 22 117.502 117.502 119.775 -2.273 19617 1378 1 4 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.005 0.121 19617 1379 1 4 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.778 -0.109 19617 1380 1 4 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.500 -0.586 19617 1381 1 4 . 1 1 22 22 GLN H H 22 8.223 8.223 8.360 -0.137 19617 1382 1 4 . 1 1 23 23 GLU N N 23 118.123 118.123 123.281 -5.158 19617 1383 1 4 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.688 -0.126 19617 1384 1 4 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.225 -2.358 19617 1385 1 4 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.433 -0.559 19617 1386 1 4 . 1 1 23 23 GLU H H 23 8.188 8.188 8.621 -0.433 19617 1387 1 4 . 1 1 24 24 ASN N N 24 125.843 125.843 123.393 2.450 19617 1388 1 4 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.784 -0.007 19617 1389 1 4 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.301 0.210 19617 1390 1 4 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.554 0.192 19617 1391 1 4 . 1 1 24 24 ASN H H 24 9.391 9.391 8.579 0.812 19617 1392 1 4 . 1 1 25 25 PHE N N 25 122.822 122.822 121.364 1.458 19617 1393 1 4 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.719 -0.069 19617 1394 1 4 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.150 0.973 19617 1395 1 4 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.282 -2.223 19617 1396 1 4 . 1 1 25 25 PHE H H 25 8.059 8.059 8.022 0.037 19617 1397 1 4 . 1 1 26 26 LYS N N 26 119.114 119.114 118.965 0.149 19617 1398 1 4 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.677 0.567 19617 1399 1 4 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.765 -2.789 19617 1400 1 4 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.140 -1.479 19617 1401 1 4 . 1 1 26 26 LYS H H 26 9.255 9.255 8.429 0.826 19617 1402 1 4 . 1 1 27 27 ALA N N 27 125.586 125.586 126.930 -1.344 19617 1403 1 4 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.139 0.124 19617 1404 1 4 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.331 -2.514 19617 1405 1 4 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.821 -0.661 19617 1406 1 4 . 1 1 27 27 ALA H H 27 9.119 9.119 8.322 0.797 19617 1407 1 4 . 1 1 28 28 THR N N 28 120.628 120.628 119.975 0.653 19617 1408 1 4 . 1 1 28 28 THR HA H 28 4.843 4.843 4.588 0.255 19617 1409 1 4 . 1 1 28 28 THR CA C 28 60.566 60.566 61.247 -0.681 19617 1410 1 4 . 1 1 28 28 THR CB C 28 69.478 69.478 70.012 -0.534 19617 1411 1 4 . 1 1 28 28 THR H H 28 9.061 9.061 8.109 0.952 19617 1412 1 4 . 1 1 29 29 GLY N N 29 115.787 115.787 113.657 2.130 19617 1413 1 4 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.171 0.145 19617 1414 1 4 . 1 1 29 29 GLY H H 29 9.663 9.663 8.718 0.945 19617 1415 1 4 . 1 1 30 30 ILE N N 30 123.084 123.084 125.850 -2.766 19617 1416 1 4 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.190 0.591 19617 1417 1 4 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.474 -1.086 19617 1418 1 4 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.156 -2.273 19617 1419 1 4 . 1 1 30 30 ILE H H 30 7.914 7.914 8.025 -0.111 19617 1420 1 4 . 1 1 31 31 PHE N N 31 125.209 125.209 125.394 -0.185 19617 1421 1 4 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.836 0.534 19617 1422 1 4 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.442 1.045 19617 1423 1 4 . 1 1 31 31 PHE CB C 31 41.153 41.153 40.110 1.043 19617 1424 1 4 . 1 1 31 31 PHE H H 31 8.316 8.316 8.012 0.304 19617 1425 1 4 . 1 1 32 32 THR N N 32 113.843 113.843 115.632 -1.789 19617 1426 1 4 . 1 1 32 32 THR HA H 32 4.409 4.409 4.112 0.297 19617 1427 1 4 . 1 1 32 32 THR CA C 32 64.157 64.157 65.680 -1.523 19617 1428 1 4 . 1 1 32 32 THR CB C 32 68.540 68.540 68.527 0.013 19617 1429 1 4 . 1 1 32 32 THR H H 32 9.335 9.335 8.818 0.517 19617 1430 1 4 . 1 1 33 33 ASP N N 33 118.799 118.799 120.558 -1.759 19617 1431 1 4 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.640 -0.018 19617 1432 1 4 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.311 -1.348 19617 1433 1 4 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.982 -1.488 19617 1434 1 4 . 1 1 33 33 ASP H H 33 7.689 7.689 7.909 -0.220 19617 1435 1 4 . 1 1 34 34 ASN N N 34 112.999 112.999 115.084 -2.085 19617 1436 1 4 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.203 0.147 19617 1437 1 4 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.442 -0.096 19617 1438 1 4 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.451 0.039 19617 1439 1 4 . 1 1 34 34 ASN H H 34 8.370 8.370 7.752 0.618 19617 1440 1 4 . 1 1 35 35 SER N N 35 115.544 115.544 114.658 0.886 19617 1441 1 4 . 1 1 35 35 SER HA H 35 4.410 4.410 4.634 -0.224 19617 1442 1 4 . 1 1 35 35 SER CA C 35 57.882 57.882 56.758 1.124 19617 1443 1 4 . 1 1 35 35 SER CB C 35 63.770 63.770 64.882 -1.112 19617 1444 1 4 . 1 1 35 35 SER H H 35 7.990 7.990 7.908 0.082 19617 1445 1 4 . 1 1 36 36 ASN N N 36 116.055 116.055 125.211 -9.156 19617 1446 1 4 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.458 -1.784 19617 1447 1 4 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.736 2.063 19617 1448 1 4 . 1 1 36 36 ASN H H 36 8.518 8.518 8.472 0.046 19617 1449 1 4 . 1 1 37 37 SER N N 37 113.193 113.193 116.523 -3.330 19617 1450 1 4 . 1 1 37 37 SER HA H 37 4.719 4.719 4.639 0.080 19617 1451 1 4 . 1 1 37 37 SER CA C 37 56.801 56.801 57.138 -0.337 19617 1452 1 4 . 1 1 37 37 SER CB C 37 64.872 64.872 65.990 -1.118 19617 1453 1 4 . 1 1 37 37 SER H H 37 8.667 8.667 8.332 0.335 19617 1454 1 4 . 1 1 38 38 ASP N N 38 123.964 123.964 124.044 -0.080 19617 1455 1 4 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.737 0.245 19617 1456 1 4 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.471 0.730 19617 1457 1 4 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.484 -0.555 19617 1458 1 4 . 1 1 38 38 ASP H H 38 8.849 8.849 8.698 0.151 19617 1459 1 4 . 1 1 39 39 ILE N N 39 121.214 121.214 121.910 -0.696 19617 1460 1 4 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.775 1.101 19617 1461 1 4 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.766 -2.058 19617 1462 1 4 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.800 -0.714 19617 1463 1 4 . 1 1 39 39 ILE H H 39 8.816 8.816 8.650 0.166 19617 1464 1 4 . 1 1 40 40 THR N N 40 122.861 122.861 114.664 8.197 19617 1465 1 4 . 1 1 40 40 THR HA H 40 4.289 4.289 4.176 0.113 19617 1466 1 4 . 1 1 40 40 THR CB C 40 68.527 68.527 68.696 -0.169 19617 1467 1 4 . 1 1 40 40 THR H H 40 8.679 8.679 7.973 0.706 19617 1468 1 4 . 1 1 41 41 ASP N N 41 114.076 114.076 118.875 -4.799 19617 1469 1 4 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.654 -0.957 19617 1470 1 4 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.507 -1.029 19617 1471 1 4 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.963 -2.245 19617 1472 1 4 . 1 1 41 41 ASP H H 41 8.539 8.539 8.494 0.045 19617 1473 1 4 . 1 1 42 42 GLN N N 42 117.086 117.086 116.880 0.206 19617 1474 1 4 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.109 0.037 19617 1475 1 4 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.941 -0.405 19617 1476 1 4 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.852 3.364 19617 1477 1 4 . 1 1 42 42 GLN H H 42 7.718 7.718 7.208 0.510 19617 1478 1 4 . 1 1 43 43 VAL N N 43 109.916 109.916 120.585 -10.669 19617 1479 1 4 . 1 1 43 43 VAL HA H 43 4.091 4.091 4.156 -0.065 19617 1480 1 4 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.735 -3.895 19617 1481 1 4 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.038 -0.765 19617 1482 1 4 . 1 1 43 43 VAL H H 43 6.902 6.902 8.197 -1.295 19617 1483 1 4 . 1 1 44 44 THR N N 44 116.270 116.270 119.034 -2.764 19617 1484 1 4 . 1 1 44 44 THR HA H 44 4.311 4.311 4.048 0.263 19617 1485 1 4 . 1 1 44 44 THR CA C 44 61.651 61.651 61.882 -0.231 19617 1486 1 4 . 1 1 44 44 THR CB C 44 68.890 68.890 68.207 0.683 19617 1487 1 4 . 1 1 44 44 THR H H 44 8.787 8.787 8.015 0.772 19617 1488 1 4 . 1 1 45 45 TRP N N 45 132.099 132.099 125.503 6.596 19617 1489 1 4 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.289 -0.043 19617 1490 1 4 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.998 0.389 19617 1491 1 4 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.683 -0.606 19617 1492 1 4 . 1 1 45 45 TRP H H 45 10.351 10.351 7.680 2.671 19617 1493 1 4 . 1 1 46 46 ASP N N 46 121.897 121.897 123.687 -1.790 19617 1494 1 4 . 1 1 46 46 ASP HA H 46 4.859 4.859 4.976 -0.117 19617 1495 1 4 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.452 -0.655 19617 1496 1 4 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.657 0.418 19617 1497 1 4 . 1 1 46 46 ASP H H 46 9.471 9.471 8.268 1.203 19617 1498 1 4 . 1 1 47 47 SER N N 47 113.805 113.805 117.891 -4.086 19617 1499 1 4 . 1 1 47 47 SER HA H 47 5.044 5.044 4.843 0.201 19617 1500 1 4 . 1 1 47 47 SER CA C 47 53.059 53.059 56.705 -3.646 19617 1501 1 4 . 1 1 47 47 SER CB C 47 64.880 64.880 65.296 -0.416 19617 1502 1 4 . 1 1 47 47 SER H H 47 8.502 8.502 8.416 0.086 19617 1503 1 4 . 1 1 48 48 SER N N 48 119.614 119.614 119.683 -0.069 19617 1504 1 4 . 1 1 48 48 SER HA H 48 4.281 4.281 4.569 -0.288 19617 1505 1 4 . 1 1 48 48 SER CA C 48 59.404 59.404 58.465 0.939 19617 1506 1 4 . 1 1 48 48 SER CB C 48 62.026 62.026 64.631 -2.605 19617 1507 1 4 . 1 1 48 48 SER H H 48 8.518 8.518 8.518 -0.000 19617 1508 1 4 . 1 1 49 49 ASN N N 49 118.260 118.260 116.543 1.717 19617 1509 1 4 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.591 0.304 19617 1510 1 4 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.535 -1.694 19617 1511 1 4 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.506 -0.786 19617 1512 1 4 . 1 1 49 49 ASN H H 49 7.816 7.816 8.503 -0.687 19617 1513 1 4 . 1 1 50 50 THR N N 50 119.289 119.289 113.481 5.808 19617 1514 1 4 . 1 1 50 50 THR HA H 50 4.567 4.567 4.560 0.007 19617 1515 1 4 . 1 1 50 50 THR CA C 50 62.137 62.137 61.921 0.216 19617 1516 1 4 . 1 1 50 50 THR CB C 50 67.100 67.100 69.002 -1.902 19617 1517 1 4 . 1 1 50 50 THR H H 50 9.048 9.048 8.342 0.706 19617 1518 1 4 . 1 1 51 51 ASP N N 51 118.825 118.825 122.628 -3.803 19617 1519 1 4 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.734 -0.157 19617 1520 1 4 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.278 -0.588 19617 1521 1 4 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.286 -2.628 19617 1522 1 4 . 1 1 51 51 ASP H H 51 8.251 8.251 8.147 0.104 19617 1523 1 4 . 1 1 52 52 ILE N N 52 118.410 118.410 120.913 -2.503 19617 1524 1 4 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.365 -0.439 19617 1525 1 4 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.610 1.071 19617 1526 1 4 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.703 0.193 19617 1527 1 4 . 1 1 52 52 ILE H H 52 7.169 7.169 8.161 -0.992 19617 1528 1 4 . 1 1 53 53 LEU N N 53 120.129 120.129 122.921 -2.792 19617 1529 1 4 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.969 0.053 19617 1530 1 4 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.709 -0.428 19617 1531 1 4 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.184 2.221 19617 1532 1 4 . 1 1 53 53 LEU H H 53 7.876 7.876 7.847 0.029 19617 1533 1 4 . 1 1 54 54 SER N N 54 122.249 122.249 119.845 2.404 19617 1534 1 4 . 1 1 54 54 SER HA H 54 4.954 4.954 4.810 0.144 19617 1535 1 4 . 1 1 54 54 SER CA C 54 54.724 54.724 57.729 -3.005 19617 1536 1 4 . 1 1 54 54 SER CB C 54 64.417 64.417 65.227 -0.810 19617 1537 1 4 . 1 1 54 54 SER H H 54 8.650 8.650 8.705 -0.055 19617 1538 1 4 . 1 1 55 55 ILE N N 55 123.973 123.973 123.205 0.768 19617 1539 1 4 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.873 0.029 19617 1540 1 4 . 1 1 55 55 ILE CA C 55 58.868 58.868 58.784 0.084 19617 1541 1 4 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.408 2.010 19617 1542 1 4 . 1 1 55 55 ILE H H 55 9.081 9.081 8.477 0.604 19617 1543 1 4 . 1 1 56 56 SER N N 56 119.541 119.541 122.612 -3.071 19617 1544 1 4 . 1 1 56 56 SER HA H 56 4.384 4.384 4.325 0.059 19617 1545 1 4 . 1 1 56 56 SER CA C 56 56.626 56.626 57.596 -0.970 19617 1546 1 4 . 1 1 56 56 SER CB C 56 63.106 63.106 65.083 -1.977 19617 1547 1 4 . 1 1 56 56 SER H H 56 7.905 7.905 8.817 -0.912 19617 1548 1 4 . 1 1 57 57 ASN N N 57 124.208 124.208 123.561 0.647 19617 1549 1 4 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.778 0.238 19617 1550 1 4 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.523 -0.053 19617 1551 1 4 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.840 0.250 19617 1552 1 4 . 1 1 57 57 ASN H H 57 8.945 8.945 8.112 0.833 19617 1553 1 4 . 1 1 58 58 ALA N N 58 124.301 124.301 120.998 3.303 19617 1554 1 4 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.266 -0.132 19617 1555 1 4 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.967 -1.680 19617 1556 1 4 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.408 -1.054 19617 1557 1 4 . 1 1 58 58 ALA H H 58 8.150 8.150 7.310 0.840 19617 1558 1 4 . 1 1 59 59 SER N N 59 113.293 113.293 114.162 -0.869 19617 1559 1 4 . 1 1 59 59 SER HA H 59 4.706 4.706 4.134 0.572 19617 1560 1 4 . 1 1 59 59 SER CA C 59 60.003 60.003 60.591 -0.588 19617 1561 1 4 . 1 1 59 59 SER CB C 59 62.574 62.574 63.368 -0.794 19617 1562 1 4 . 1 1 59 59 SER H H 59 8.377 8.377 8.203 0.174 19617 1563 1 4 . 1 1 60 60 ASP N N 60 116.272 116.272 113.962 2.310 19617 1564 1 4 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.655 0.016 19617 1565 1 4 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.570 -0.811 19617 1566 1 4 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.684 -1.972 19617 1567 1 4 . 1 1 60 60 ASP H H 60 8.310 8.310 7.356 0.954 19617 1568 1 4 . 1 1 61 61 SER N N 61 112.651 112.651 116.049 -3.398 19617 1569 1 4 . 1 1 61 61 SER HA H 61 4.630 4.630 4.171 0.459 19617 1570 1 4 . 1 1 61 61 SER CA C 61 56.180 56.180 60.931 -4.750 19617 1571 1 4 . 1 1 61 61 SER CB C 61 61.843 61.843 63.713 -1.870 19617 1572 1 4 . 1 1 61 61 SER H H 61 7.588 7.588 8.486 -0.898 19617 1573 1 4 . 1 1 62 62 HIS N N 62 119.790 119.790 117.322 2.468 19617 1574 1 4 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.581 -0.535 19617 1575 1 4 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.483 1.437 19617 1576 1 4 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.624 -2.100 19617 1577 1 4 . 1 1 62 62 HIS H H 62 8.030 8.030 7.806 0.224 19617 1578 1 4 . 1 1 63 63 GLY N N 63 113.297 113.297 109.997 3.300 19617 1579 1 4 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.125 -0.472 19617 1580 1 4 . 1 1 63 63 GLY H H 63 8.733 8.733 8.639 0.094 19617 1581 1 4 . 1 1 64 64 LEU N N 64 120.663 120.663 127.375 -6.712 19617 1582 1 4 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.781 -0.395 19617 1583 1 4 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.975 0.918 19617 1584 1 4 . 1 1 64 64 LEU CB C 64 41.463 41.463 42.419 -0.956 19617 1585 1 4 . 1 1 64 64 LEU H H 64 7.680 7.680 8.345 -0.665 19617 1586 1 4 . 1 1 65 65 ALA N N 65 108.347 108.347 127.292 -18.945 19617 1587 1 4 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.756 0.646 19617 1588 1 4 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.403 -1.135 19617 1589 1 4 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.255 0.301 19617 1590 1 4 . 1 1 65 65 ALA H H 65 9.874 9.874 8.637 1.237 19617 1591 1 4 . 1 1 66 66 SER N N 66 115.950 115.950 119.622 -3.672 19617 1592 1 4 . 1 1 66 66 SER HA H 66 4.906 4.906 5.537 -0.631 19617 1593 1 4 . 1 1 66 66 SER CA C 66 56.645 56.645 56.644 0.001 19617 1594 1 4 . 1 1 66 66 SER CB C 66 63.823 63.823 66.407 -2.584 19617 1595 1 4 . 1 1 66 66 SER H H 66 8.938 8.938 8.736 0.202 19617 1596 1 4 . 1 1 67 67 THR N N 67 113.595 113.595 117.663 -4.068 19617 1597 1 4 . 1 1 67 67 THR HA H 67 4.649 4.649 4.987 -0.338 19617 1598 1 4 . 1 1 67 67 THR CA C 67 59.216 59.216 60.569 -1.353 19617 1599 1 4 . 1 1 67 67 THR CB C 67 69.006 69.006 71.403 -2.397 19617 1600 1 4 . 1 1 67 67 THR H H 67 8.257 8.257 8.104 0.153 19617 1601 1 4 . 1 1 68 68 LEU N N 68 124.152 124.152 124.950 -0.798 19617 1602 1 4 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.835 -0.473 19617 1603 1 4 . 1 1 68 68 LEU CA C 68 55.112 55.112 53.751 1.361 19617 1604 1 4 . 1 1 68 68 LEU CB C 68 42.915 42.915 44.137 -1.222 19617 1605 1 4 . 1 1 68 68 LEU H H 68 8.616 8.616 8.819 -0.202 19617 1606 1 4 . 1 1 69 69 ASN N N 69 115.820 115.820 118.353 -2.533 19617 1607 1 4 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.817 -0.157 19617 1608 1 4 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.357 -0.901 19617 1609 1 4 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.459 1.847 19617 1610 1 4 . 1 1 69 69 ASN H H 69 7.965 7.965 7.656 0.309 19617 1611 1 4 . 1 1 70 70 GLN N N 70 114.562 114.562 117.627 -3.065 19617 1612 1 4 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.501 -0.575 19617 1613 1 4 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.142 0.095 19617 1614 1 4 . 1 1 70 70 GLN CB C 70 29.006 29.006 30.352 -1.347 19617 1615 1 4 . 1 1 70 70 GLN H H 70 8.287 8.287 8.451 -0.164 19617 1616 1 4 . 1 1 71 71 GLY N N 71 108.005 108.005 114.332 -6.327 19617 1617 1 4 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.297 -1.611 19617 1618 1 4 . 1 1 71 71 GLY H H 71 8.520 8.520 8.587 -0.067 19617 1619 1 4 . 1 1 72 72 ASN N N 72 117.787 117.787 121.065 -3.278 19617 1620 1 4 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.093 0.380 19617 1621 1 4 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.579 -0.888 19617 1622 1 4 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.600 -1.704 19617 1623 1 4 . 1 1 72 72 ASN H H 72 8.420 8.420 8.338 0.082 19617 1624 1 4 . 1 1 73 73 VAL N N 73 115.846 115.846 123.362 -7.516 19617 1625 1 4 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.376 0.151 19617 1626 1 4 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.963 -1.988 19617 1627 1 4 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.065 -0.886 19617 1628 1 4 . 1 1 73 73 VAL H H 73 8.990 8.990 9.434 -0.444 19617 1629 1 4 . 1 1 74 74 LYS N N 74 123.195 123.195 124.770 -1.575 19617 1630 1 4 . 1 1 74 74 LYS HA H 74 5.154 5.154 5.107 0.047 19617 1631 1 4 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.738 -0.857 19617 1632 1 4 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.873 -1.276 19617 1633 1 4 . 1 1 74 74 LYS H H 74 8.715 8.715 8.440 0.275 19617 1634 1 4 . 1 1 75 75 VAL N N 75 129.521 129.521 126.739 2.782 19617 1635 1 4 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.662 -0.119 19617 1636 1 4 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.541 -0.724 19617 1637 1 4 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.116 -0.633 19617 1638 1 4 . 1 1 75 75 VAL H H 75 8.975 8.975 9.247 -0.272 19617 1639 1 4 . 1 1 76 76 THR N N 76 120.544 120.544 124.037 -3.493 19617 1640 1 4 . 1 1 76 76 THR HA H 76 5.067 5.067 4.627 0.440 19617 1641 1 4 . 1 1 76 76 THR CA C 76 59.783 59.783 61.564 -1.781 19617 1642 1 4 . 1 1 76 76 THR CB C 76 70.733 70.733 69.784 0.949 19617 1643 1 4 . 1 1 76 76 THR H H 76 8.650 8.650 8.395 0.255 19617 1644 1 4 . 1 1 77 77 ALA N N 77 126.453 126.453 129.081 -2.628 19617 1645 1 4 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.547 -1.167 19617 1646 1 4 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.822 -2.393 19617 1647 1 4 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.836 -2.292 19617 1648 1 4 . 1 1 77 77 ALA H H 77 8.674 8.674 8.351 0.323 19617 1649 1 4 . 1 1 78 78 SER N N 78 113.566 113.566 117.574 -4.008 19617 1650 1 4 . 1 1 78 78 SER HA H 78 5.377 5.377 4.771 0.606 19617 1651 1 4 . 1 1 78 78 SER CA C 78 56.077 56.077 57.840 -1.763 19617 1652 1 4 . 1 1 78 78 SER CB C 78 65.730 65.730 66.146 -0.416 19617 1653 1 4 . 1 1 78 78 SER H H 78 8.116 8.116 8.570 -0.454 19617 1654 1 4 . 1 1 79 79 ILE N N 79 121.070 121.070 122.629 -1.559 19617 1655 1 4 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.457 -0.309 19617 1656 1 4 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.347 0.777 19617 1657 1 4 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.910 -2.102 19617 1658 1 4 . 1 1 79 79 ILE H H 79 8.446 8.446 8.351 0.095 19617 1659 1 4 . 1 1 80 80 GLY N N 80 117.155 117.155 115.332 1.823 19617 1660 1 4 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.588 -0.582 19617 1661 1 4 . 1 1 80 80 GLY H H 80 8.899 8.899 8.755 0.144 19617 1662 1 4 . 1 1 81 81 GLY N N 81 110.715 110.715 111.320 -0.605 19617 1663 1 4 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.906 -0.528 19617 1664 1 4 . 1 1 81 81 GLY H H 81 8.742 8.742 8.398 0.344 19617 1665 1 4 . 1 1 82 82 ILE N N 82 124.113 124.113 121.447 2.666 19617 1666 1 4 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.269 -0.067 19617 1667 1 4 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.051 -1.018 19617 1668 1 4 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.459 -1.682 19617 1669 1 4 . 1 1 82 82 ILE H H 82 8.188 8.188 7.928 0.260 19617 1670 1 4 . 1 1 83 83 GLN N N 83 122.453 122.453 122.586 -0.133 19617 1671 1 4 . 1 1 83 83 GLN HA H 83 5.396 5.396 5.148 0.248 19617 1672 1 4 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.168 -1.148 19617 1673 1 4 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.176 -0.661 19617 1674 1 4 . 1 1 83 83 GLN H H 83 8.423 8.423 8.263 0.160 19617 1675 1 4 . 1 1 84 84 GLY N N 84 111.436 111.436 106.812 4.624 19617 1676 1 4 . 1 1 84 84 GLY CA C 84 43.698 43.698 45.371 -1.673 19617 1677 1 4 . 1 1 84 84 GLY H H 84 8.931 8.931 8.816 0.115 19617 1678 1 4 . 1 1 85 85 SER N N 85 113.877 113.877 114.811 -0.934 19617 1679 1 4 . 1 1 85 85 SER HA H 85 5.843 5.843 5.253 0.590 19617 1680 1 4 . 1 1 85 85 SER CA C 85 56.264 56.264 56.536 -0.272 19617 1681 1 4 . 1 1 85 85 SER CB C 85 66.946 66.946 67.060 -0.114 19617 1682 1 4 . 1 1 85 85 SER H H 85 8.710 8.710 8.105 0.605 19617 1683 1 4 . 1 1 86 86 THR N N 86 115.389 115.389 117.511 -2.122 19617 1684 1 4 . 1 1 86 86 THR HA H 86 4.772 4.772 4.313 0.459 19617 1685 1 4 . 1 1 86 86 THR CA C 86 60.313 60.313 61.724 -1.411 19617 1686 1 4 . 1 1 86 86 THR CB C 86 69.852 69.852 71.668 -1.816 19617 1687 1 4 . 1 1 86 86 THR H H 86 8.854 8.854 8.603 0.251 19617 1688 1 4 . 1 1 87 87 ASP N N 87 124.622 124.622 124.340 0.282 19617 1689 1 4 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.849 0.589 19617 1690 1 4 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.416 0.380 19617 1691 1 4 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.133 -0.123 19617 1692 1 4 . 1 1 87 87 ASP H H 87 7.953 7.953 8.581 -0.628 19617 1693 1 4 . 1 1 88 88 PHE N N 88 123.577 123.577 126.168 -2.591 19617 1694 1 4 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.041 -0.108 19617 1695 1 4 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.800 0.168 19617 1696 1 4 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.636 0.248 19617 1697 1 4 . 1 1 88 88 PHE H H 88 9.094 9.094 9.311 -0.217 19617 1698 1 4 . 1 1 89 89 LYS N N 89 126.966 126.966 125.670 1.296 19617 1699 1 4 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.810 0.227 19617 1700 1 4 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.275 -1.386 19617 1701 1 4 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.965 -0.296 19617 1702 1 4 . 1 1 89 89 LYS H H 89 7.269 7.269 8.353 -1.084 19617 1703 1 4 . 1 1 90 90 VAL N N 90 126.146 126.146 129.489 -3.343 19617 1704 1 4 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.930 0.078 19617 1705 1 4 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.490 -1.943 19617 1706 1 4 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.257 -1.309 19617 1707 1 4 . 1 1 90 90 VAL H H 90 9.086 9.086 8.131 0.955 19617 1708 1 4 . 1 1 91 91 THR N N 91 120.506 120.506 118.373 2.133 19617 1709 1 4 . 1 1 91 91 THR HA H 91 4.568 4.568 4.589 -0.021 19617 1710 1 4 . 1 1 91 91 THR CA C 91 59.348 59.348 60.502 -1.154 19617 1711 1 4 . 1 1 91 91 THR CB C 91 68.970 68.970 71.227 -2.257 19617 1712 1 4 . 1 1 91 91 THR H H 91 8.757 8.757 8.222 0.535 19617 1713 1 5 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.526 -0.255 19617 1714 1 5 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.743 -1.522 19617 1715 1 5 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.264 -0.848 19617 1716 1 5 . 1 1 3 3 ALA N N 3 123.801 123.801 122.935 0.866 19617 1717 1 5 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.449 -0.243 19617 1718 1 5 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.808 -0.413 19617 1719 1 5 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.329 -2.490 19617 1720 1 5 . 1 1 3 3 ALA H H 3 8.647 8.647 8.247 0.400 19617 1721 1 5 . 1 1 4 4 ALA N N 4 124.058 124.058 125.195 -1.137 19617 1722 1 5 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.448 0.231 19617 1723 1 5 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.528 -1.506 19617 1724 1 5 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.491 0.406 19617 1725 1 5 . 1 1 4 4 ALA H H 4 8.239 8.239 8.247 -0.008 19617 1726 1 5 . 1 1 5 5 LEU N N 5 124.019 124.019 121.214 2.805 19617 1727 1 5 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.580 -0.208 19617 1728 1 5 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.032 -0.024 19617 1729 1 5 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.229 -0.987 19617 1730 1 5 . 1 1 5 5 LEU H H 5 8.560 8.560 7.955 0.605 19617 1731 1 5 . 1 1 6 6 VAL N N 6 123.358 123.358 122.820 0.538 19617 1732 1 5 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.274 -0.173 19617 1733 1 5 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.087 -0.747 19617 1734 1 5 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.422 -0.474 19617 1735 1 5 . 1 1 6 6 VAL H H 6 9.119 9.119 8.361 0.758 19617 1736 1 5 . 1 1 7 7 SER N N 7 112.139 112.139 111.884 0.255 19617 1737 1 5 . 1 1 7 7 SER HA H 7 4.445 4.445 4.802 -0.357 19617 1738 1 5 . 1 1 7 7 SER CA C 7 56.349 56.349 58.107 -1.758 19617 1739 1 5 . 1 1 7 7 SER CB C 7 64.361 64.361 65.401 -1.040 19617 1740 1 5 . 1 1 7 7 SER H H 7 7.680 7.680 7.870 -0.190 19617 1741 1 5 . 1 1 8 8 ILE N N 8 118.677 118.677 119.931 -1.254 19617 1742 1 5 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.583 0.098 19617 1743 1 5 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.228 -0.083 19617 1744 1 5 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.245 -0.571 19617 1745 1 5 . 1 1 8 8 ILE H H 8 8.354 8.354 8.185 0.169 19617 1746 1 5 . 1 1 9 9 SER N N 9 121.319 121.319 121.882 -0.563 19617 1747 1 5 . 1 1 9 9 SER HA H 9 4.859 4.859 4.775 0.084 19617 1748 1 5 . 1 1 9 9 SER CA C 9 55.381 55.381 56.612 -1.232 19617 1749 1 5 . 1 1 9 9 SER CB C 9 64.243 64.243 63.410 0.833 19617 1750 1 5 . 1 1 9 9 SER H H 9 9.028 9.028 8.671 0.357 19617 1751 1 5 . 1 1 10 10 VAL N N 10 127.508 127.508 128.732 -1.224 19617 1752 1 5 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.638 0.413 19617 1753 1 5 . 1 1 10 10 VAL CA C 10 60.912 60.912 61.688 -0.776 19617 1754 1 5 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.768 -0.381 19617 1755 1 5 . 1 1 10 10 VAL H H 10 8.911 8.911 8.592 0.319 19617 1756 1 5 . 1 1 11 11 SER N N 11 121.861 121.861 123.516 -1.655 19617 1757 1 5 . 1 1 11 11 SER CB C 11 64.373 64.373 62.994 1.379 19617 1758 1 5 . 1 1 11 11 SER H H 11 9.205 9.205 8.308 0.897 19617 1759 1 5 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.591 0.119 19617 1760 1 5 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.511 -1.611 19617 1761 1 5 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.145 1.944 19617 1762 1 5 . 1 1 13 13 THR N N 13 116.138 116.138 116.429 -0.291 19617 1763 1 5 . 1 1 13 13 THR HA H 13 4.766 4.766 4.477 0.289 19617 1764 1 5 . 1 1 13 13 THR CA C 13 60.153 60.153 61.232 -1.079 19617 1765 1 5 . 1 1 13 13 THR CB C 13 69.426 69.426 70.135 -0.709 19617 1766 1 5 . 1 1 13 13 THR H H 13 8.679 8.679 8.338 0.341 19617 1767 1 5 . 1 1 14 14 ASN N N 14 124.457 124.457 124.676 -0.219 19617 1768 1 5 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.948 -0.251 19617 1769 1 5 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.555 0.573 19617 1770 1 5 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.320 -1.727 19617 1771 1 5 . 1 1 14 14 ASN H H 14 8.710 8.710 8.850 -0.140 19617 1772 1 5 . 1 1 15 15 SER N N 15 113.672 113.672 118.264 -4.592 19617 1773 1 5 . 1 1 15 15 SER HA H 15 4.651 4.651 4.772 -0.121 19617 1774 1 5 . 1 1 15 15 SER CA C 15 55.644 55.644 57.118 -1.474 19617 1775 1 5 . 1 1 15 15 SER CB C 15 63.953 63.953 64.976 -1.023 19617 1776 1 5 . 1 1 15 15 SER H H 15 9.127 9.127 8.667 0.460 19617 1777 1 5 . 1 1 16 16 THR N N 16 113.578 113.578 113.745 -0.167 19617 1778 1 5 . 1 1 16 16 THR HA H 16 4.975 4.975 4.849 0.126 19617 1779 1 5 . 1 1 16 16 THR CA C 16 58.445 58.445 60.517 -2.072 19617 1780 1 5 . 1 1 16 16 THR CB C 16 70.534 70.534 70.705 -0.171 19617 1781 1 5 . 1 1 16 16 THR H H 16 7.962 7.962 8.170 -0.208 19617 1782 1 5 . 1 1 17 17 VAL N N 17 121.480 121.480 121.076 0.404 19617 1783 1 5 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.440 -0.118 19617 1784 1 5 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.388 -0.451 19617 1785 1 5 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.685 -0.281 19617 1786 1 5 . 1 1 17 17 VAL H H 17 7.969 7.969 8.812 -0.843 19617 1787 1 5 . 1 1 18 18 ALA N N 18 126.013 126.013 127.400 -1.387 19617 1788 1 5 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.557 -0.382 19617 1789 1 5 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.092 -1.129 19617 1790 1 5 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.858 -0.936 19617 1791 1 5 . 1 1 18 18 ALA H H 18 7.756 7.756 8.313 -0.557 19617 1792 1 5 . 1 1 19 19 LYS N N 19 119.740 119.740 120.666 -0.926 19617 1793 1 5 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.941 -0.452 19617 1794 1 5 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.709 1.063 19617 1795 1 5 . 1 1 19 19 LYS CB C 19 31.602 31.602 31.982 -0.380 19617 1796 1 5 . 1 1 19 19 LYS H H 19 7.892 7.892 8.121 -0.229 19617 1797 1 5 . 1 1 20 20 GLY N N 20 116.706 116.706 112.232 4.474 19617 1798 1 5 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.184 -1.421 19617 1799 1 5 . 1 1 20 20 GLY H H 20 8.615 8.615 8.614 0.001 19617 1800 1 5 . 1 1 21 21 LEU N N 21 123.004 123.004 123.190 -0.186 19617 1801 1 5 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.477 0.113 19617 1802 1 5 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.164 -0.799 19617 1803 1 5 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.597 -5.635 19617 1804 1 5 . 1 1 21 21 LEU H H 21 8.013 8.013 7.788 0.225 19617 1805 1 5 . 1 1 22 22 GLN N N 22 117.502 117.502 117.886 -0.384 19617 1806 1 5 . 1 1 22 22 GLN HA H 22 5.126 5.126 4.887 0.239 19617 1807 1 5 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.724 -0.055 19617 1808 1 5 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.432 -0.518 19617 1809 1 5 . 1 1 22 22 GLN H H 22 8.223 8.223 8.228 -0.005 19617 1810 1 5 . 1 1 23 23 GLU N N 23 118.123 118.123 122.256 -4.133 19617 1811 1 5 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.479 0.083 19617 1812 1 5 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.611 -1.744 19617 1813 1 5 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.345 0.529 19617 1814 1 5 . 1 1 23 23 GLU H H 23 8.188 8.188 8.077 0.111 19617 1815 1 5 . 1 1 24 24 ASN N N 24 125.843 125.843 122.246 3.597 19617 1816 1 5 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.649 0.128 19617 1817 1 5 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.013 -0.502 19617 1818 1 5 . 1 1 24 24 ASN CB C 24 39.746 39.746 38.975 0.771 19617 1819 1 5 . 1 1 24 24 ASN H H 24 9.391 9.391 8.519 0.872 19617 1820 1 5 . 1 1 25 25 PHE N N 25 122.822 122.822 120.334 2.488 19617 1821 1 5 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.648 0.002 19617 1822 1 5 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.788 0.335 19617 1823 1 5 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.190 -2.131 19617 1824 1 5 . 1 1 25 25 PHE H H 25 8.059 8.059 8.462 -0.403 19617 1825 1 5 . 1 1 26 26 LYS N N 26 119.114 119.114 119.053 0.061 19617 1826 1 5 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.734 0.510 19617 1827 1 5 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.030 -3.054 19617 1828 1 5 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.744 -1.083 19617 1829 1 5 . 1 1 26 26 LYS H H 26 9.255 9.255 8.546 0.709 19617 1830 1 5 . 1 1 27 27 ALA N N 27 125.586 125.586 127.388 -1.802 19617 1831 1 5 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.271 -0.008 19617 1832 1 5 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.068 -2.251 19617 1833 1 5 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.155 -0.995 19617 1834 1 5 . 1 1 27 27 ALA H H 27 9.119 9.119 8.977 0.142 19617 1835 1 5 . 1 1 28 28 THR N N 28 120.628 120.628 118.589 2.039 19617 1836 1 5 . 1 1 28 28 THR HA H 28 4.843 4.843 4.524 0.319 19617 1837 1 5 . 1 1 28 28 THR CA C 28 60.566 60.566 61.030 -0.464 19617 1838 1 5 . 1 1 28 28 THR CB C 28 69.478 69.478 69.463 0.015 19617 1839 1 5 . 1 1 28 28 THR H H 28 9.061 9.061 8.648 0.413 19617 1840 1 5 . 1 1 29 29 GLY N N 29 115.787 115.787 113.342 2.445 19617 1841 1 5 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.229 0.087 19617 1842 1 5 . 1 1 29 29 GLY H H 29 9.663 9.663 8.453 1.210 19617 1843 1 5 . 1 1 30 30 ILE N N 30 123.084 123.084 126.308 -3.224 19617 1844 1 5 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.131 0.650 19617 1845 1 5 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.542 -1.154 19617 1846 1 5 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.647 -2.764 19617 1847 1 5 . 1 1 30 30 ILE H H 30 7.914 7.914 7.784 0.130 19617 1848 1 5 . 1 1 31 31 PHE N N 31 125.209 125.209 125.219 -0.010 19617 1849 1 5 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.948 0.422 19617 1850 1 5 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.876 0.611 19617 1851 1 5 . 1 1 31 31 PHE CB C 31 41.153 41.153 40.952 0.201 19617 1852 1 5 . 1 1 31 31 PHE H H 31 8.316 8.316 8.478 -0.162 19617 1853 1 5 . 1 1 32 32 THR N N 32 113.843 113.843 118.482 -4.639 19617 1854 1 5 . 1 1 32 32 THR HA H 32 4.409 4.409 4.177 0.232 19617 1855 1 5 . 1 1 32 32 THR CA C 32 64.157 64.157 65.008 -0.851 19617 1856 1 5 . 1 1 32 32 THR CB C 32 68.540 68.540 68.438 0.102 19617 1857 1 5 . 1 1 32 32 THR H H 32 9.335 9.335 9.015 0.320 19617 1858 1 5 . 1 1 33 33 ASP N N 33 118.799 118.799 120.112 -1.313 19617 1859 1 5 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.677 -0.055 19617 1860 1 5 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.516 -2.553 19617 1861 1 5 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.883 -2.389 19617 1862 1 5 . 1 1 33 33 ASP H H 33 7.689 7.689 7.824 -0.135 19617 1863 1 5 . 1 1 34 34 ASN N N 34 112.999 112.999 115.156 -2.157 19617 1864 1 5 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.411 -0.061 19617 1865 1 5 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.562 -0.216 19617 1866 1 5 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.941 -0.451 19617 1867 1 5 . 1 1 34 34 ASN H H 34 8.370 8.370 8.070 0.300 19617 1868 1 5 . 1 1 35 35 SER N N 35 115.544 115.544 114.077 1.467 19617 1869 1 5 . 1 1 35 35 SER HA H 35 4.410 4.410 4.710 -0.300 19617 1870 1 5 . 1 1 35 35 SER CA C 35 57.882 57.882 57.596 0.286 19617 1871 1 5 . 1 1 35 35 SER CB C 35 63.770 63.770 63.776 -0.006 19617 1872 1 5 . 1 1 35 35 SER H H 35 7.990 7.990 8.305 -0.315 19617 1873 1 5 . 1 1 36 36 ASN N N 36 116.055 116.055 120.524 -4.469 19617 1874 1 5 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.074 -2.400 19617 1875 1 5 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.715 2.084 19617 1876 1 5 . 1 1 36 36 ASN H H 36 8.518 8.518 8.389 0.129 19617 1877 1 5 . 1 1 37 37 SER N N 37 113.193 113.193 115.496 -2.303 19617 1878 1 5 . 1 1 37 37 SER HA H 37 4.719 4.719 4.702 0.017 19617 1879 1 5 . 1 1 37 37 SER CA C 37 56.801 56.801 57.369 -0.568 19617 1880 1 5 . 1 1 37 37 SER CB C 37 64.872 64.872 65.748 -0.876 19617 1881 1 5 . 1 1 37 37 SER H H 37 8.667 8.667 8.844 -0.177 19617 1882 1 5 . 1 1 38 38 ASP N N 38 123.964 123.964 121.432 2.532 19617 1883 1 5 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.647 0.335 19617 1884 1 5 . 1 1 38 38 ASP CA C 38 54.201 54.201 54.390 -0.189 19617 1885 1 5 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.080 -0.151 19617 1886 1 5 . 1 1 38 38 ASP H H 38 8.849 8.849 8.546 0.303 19617 1887 1 5 . 1 1 39 39 ILE N N 39 121.214 121.214 116.382 4.832 19617 1888 1 5 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.862 1.014 19617 1889 1 5 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.768 -2.061 19617 1890 1 5 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.673 1.413 19617 1891 1 5 . 1 1 39 39 ILE H H 39 8.816 8.816 8.497 0.319 19617 1892 1 5 . 1 1 40 40 THR N N 40 122.861 122.861 116.144 6.717 19617 1893 1 5 . 1 1 40 40 THR HA H 40 4.289 4.289 4.154 0.135 19617 1894 1 5 . 1 1 40 40 THR CB C 40 68.527 68.527 68.701 -0.174 19617 1895 1 5 . 1 1 40 40 THR H H 40 8.679 8.679 8.254 0.425 19617 1896 1 5 . 1 1 41 41 ASP N N 41 114.076 114.076 119.629 -5.553 19617 1897 1 5 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.740 -1.043 19617 1898 1 5 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.729 -0.251 19617 1899 1 5 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.812 -2.094 19617 1900 1 5 . 1 1 41 41 ASP H H 41 8.539 8.539 8.211 0.328 19617 1901 1 5 . 1 1 42 42 GLN N N 42 117.086 117.086 117.424 -0.338 19617 1902 1 5 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.020 0.126 19617 1903 1 5 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.273 -0.737 19617 1904 1 5 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.922 2.294 19617 1905 1 5 . 1 1 42 42 GLN H H 42 7.718 7.718 7.922 -0.204 19617 1906 1 5 . 1 1 43 43 VAL N N 43 109.916 109.916 123.827 -13.911 19617 1907 1 5 . 1 1 43 43 VAL HA H 43 4.091 4.091 4.295 -0.204 19617 1908 1 5 . 1 1 43 43 VAL CA C 43 58.840 58.840 61.456 -2.616 19617 1909 1 5 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.058 -1.785 19617 1910 1 5 . 1 1 43 43 VAL H H 43 6.902 6.902 8.412 -1.510 19617 1911 1 5 . 1 1 44 44 THR N N 44 116.270 116.270 124.543 -8.273 19617 1912 1 5 . 1 1 44 44 THR HA H 44 4.311 4.311 4.376 -0.065 19617 1913 1 5 . 1 1 44 44 THR CA C 44 61.651 61.651 62.111 -0.459 19617 1914 1 5 . 1 1 44 44 THR CB C 44 68.890 68.890 68.927 -0.037 19617 1915 1 5 . 1 1 44 44 THR H H 44 8.787 8.787 7.974 0.813 19617 1916 1 5 . 1 1 45 45 TRP N N 45 132.099 132.099 124.417 7.682 19617 1917 1 5 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.592 -0.346 19617 1918 1 5 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.732 0.655 19617 1919 1 5 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.620 -1.543 19617 1920 1 5 . 1 1 45 45 TRP H H 45 10.351 10.351 7.788 2.563 19617 1921 1 5 . 1 1 46 46 ASP N N 46 121.897 121.897 121.793 0.104 19617 1922 1 5 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.182 -0.323 19617 1923 1 5 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.915 -1.118 19617 1924 1 5 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.421 -0.346 19617 1925 1 5 . 1 1 46 46 ASP H H 46 9.471 9.471 8.424 1.047 19617 1926 1 5 . 1 1 47 47 SER N N 47 113.805 113.805 116.323 -2.518 19617 1927 1 5 . 1 1 47 47 SER HA H 47 5.044 5.044 4.841 0.203 19617 1928 1 5 . 1 1 47 47 SER CA C 47 53.059 53.059 56.629 -3.570 19617 1929 1 5 . 1 1 47 47 SER CB C 47 64.880 64.880 64.679 0.201 19617 1930 1 5 . 1 1 47 47 SER H H 47 8.502 8.502 8.380 0.122 19617 1931 1 5 . 1 1 48 48 SER N N 48 119.614 119.614 118.738 0.876 19617 1932 1 5 . 1 1 48 48 SER HA H 48 4.281 4.281 4.342 -0.061 19617 1933 1 5 . 1 1 48 48 SER CA C 48 59.404 59.404 58.832 0.572 19617 1934 1 5 . 1 1 48 48 SER CB C 48 62.026 62.026 63.829 -1.803 19617 1935 1 5 . 1 1 48 48 SER H H 48 8.518 8.518 8.637 -0.119 19617 1936 1 5 . 1 1 49 49 ASN N N 49 118.260 118.260 125.095 -6.835 19617 1937 1 5 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.694 0.201 19617 1938 1 5 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.075 -1.234 19617 1939 1 5 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.663 -0.943 19617 1940 1 5 . 1 1 49 49 ASN H H 49 7.816 7.816 8.828 -1.012 19617 1941 1 5 . 1 1 50 50 THR N N 50 119.289 119.289 118.345 0.944 19617 1942 1 5 . 1 1 50 50 THR HA H 50 4.567 4.567 4.543 0.024 19617 1943 1 5 . 1 1 50 50 THR CA C 50 62.137 62.137 62.832 -0.695 19617 1944 1 5 . 1 1 50 50 THR CB C 50 67.100 67.100 70.078 -2.978 19617 1945 1 5 . 1 1 50 50 THR H H 50 9.048 9.048 8.485 0.563 19617 1946 1 5 . 1 1 51 51 ASP N N 51 118.825 118.825 119.810 -0.985 19617 1947 1 5 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.689 -0.112 19617 1948 1 5 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.714 -0.024 19617 1949 1 5 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.918 -3.260 19617 1950 1 5 . 1 1 51 51 ASP H H 51 8.251 8.251 8.425 -0.174 19617 1951 1 5 . 1 1 52 52 ILE N N 52 118.410 118.410 122.834 -4.424 19617 1952 1 5 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.414 -0.488 19617 1953 1 5 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.778 0.903 19617 1954 1 5 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.683 0.213 19617 1955 1 5 . 1 1 52 52 ILE H H 52 7.169 7.169 8.033 -0.864 19617 1956 1 5 . 1 1 53 53 LEU N N 53 120.129 120.129 124.725 -4.596 19617 1957 1 5 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.977 0.045 19617 1958 1 5 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.165 -0.884 19617 1959 1 5 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.435 1.970 19617 1960 1 5 . 1 1 53 53 LEU H H 53 7.876 7.876 8.403 -0.527 19617 1961 1 5 . 1 1 54 54 SER N N 54 122.249 122.249 119.652 2.597 19617 1962 1 5 . 1 1 54 54 SER HA H 54 4.954 4.954 4.825 0.129 19617 1963 1 5 . 1 1 54 54 SER CA C 54 54.724 54.724 57.535 -2.811 19617 1964 1 5 . 1 1 54 54 SER CB C 54 64.417 64.417 65.072 -0.655 19617 1965 1 5 . 1 1 54 54 SER H H 54 8.650 8.650 8.781 -0.131 19617 1966 1 5 . 1 1 55 55 ILE N N 55 123.973 123.973 122.760 1.213 19617 1967 1 5 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.593 0.309 19617 1968 1 5 . 1 1 55 55 ILE CA C 55 58.868 58.868 58.710 0.158 19617 1969 1 5 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.172 2.247 19617 1970 1 5 . 1 1 55 55 ILE H H 55 9.081 9.081 8.328 0.753 19617 1971 1 5 . 1 1 56 56 SER N N 56 119.541 119.541 122.686 -3.145 19617 1972 1 5 . 1 1 56 56 SER HA H 56 4.384 4.384 4.175 0.209 19617 1973 1 5 . 1 1 56 56 SER CA C 56 56.626 56.626 57.350 -0.724 19617 1974 1 5 . 1 1 56 56 SER CB C 56 63.106 63.106 64.114 -1.008 19617 1975 1 5 . 1 1 56 56 SER H H 56 7.905 7.905 8.018 -0.113 19617 1976 1 5 . 1 1 57 57 ASN N N 57 124.208 124.208 123.119 1.089 19617 1977 1 5 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.791 0.225 19617 1978 1 5 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.111 -0.642 19617 1979 1 5 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.253 0.837 19617 1980 1 5 . 1 1 57 57 ASN H H 57 8.945 8.945 8.463 0.482 19617 1981 1 5 . 1 1 58 58 ALA N N 58 124.301 124.301 122.437 1.864 19617 1982 1 5 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.541 -0.407 19617 1983 1 5 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.445 -1.158 19617 1984 1 5 . 1 1 58 58 ALA CB C 58 18.354 18.354 20.233 -1.879 19617 1985 1 5 . 1 1 58 58 ALA H H 58 8.150 8.150 7.572 0.578 19617 1986 1 5 . 1 1 59 59 SER N N 59 113.293 113.293 113.967 -0.674 19617 1987 1 5 . 1 1 59 59 SER HA H 59 4.706 4.706 4.231 0.475 19617 1988 1 5 . 1 1 59 59 SER CA C 59 60.003 60.003 60.124 -0.121 19617 1989 1 5 . 1 1 59 59 SER CB C 59 62.574 62.574 63.382 -0.808 19617 1990 1 5 . 1 1 59 59 SER H H 59 8.377 8.377 8.225 0.152 19617 1991 1 5 . 1 1 60 60 ASP N N 60 116.272 116.272 116.239 0.033 19617 1992 1 5 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.755 -0.084 19617 1993 1 5 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.322 -0.563 19617 1994 1 5 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.185 -2.473 19617 1995 1 5 . 1 1 60 60 ASP H H 60 8.310 8.310 7.544 0.766 19617 1996 1 5 . 1 1 61 61 SER N N 61 112.651 112.651 115.568 -2.917 19617 1997 1 5 . 1 1 61 61 SER HA H 61 4.630 4.630 4.233 0.397 19617 1998 1 5 . 1 1 61 61 SER CA C 61 56.180 56.180 60.882 -4.702 19617 1999 1 5 . 1 1 61 61 SER CB C 61 61.843 61.843 63.742 -1.899 19617 2000 1 5 . 1 1 61 61 SER H H 61 7.588 7.588 8.549 -0.961 19617 2001 1 5 . 1 1 62 62 HIS N N 62 119.790 119.790 117.493 2.297 19617 2002 1 5 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.813 -0.767 19617 2003 1 5 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.129 1.790 19617 2004 1 5 . 1 1 62 62 HIS CB C 62 27.524 27.524 31.244 -3.720 19617 2005 1 5 . 1 1 62 62 HIS H H 62 8.030 8.030 7.945 0.085 19617 2006 1 5 . 1 1 63 63 GLY N N 63 113.297 113.297 107.929 5.368 19617 2007 1 5 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.309 -0.656 19617 2008 1 5 . 1 1 63 63 GLY H H 63 8.733 8.733 8.605 0.128 19617 2009 1 5 . 1 1 64 64 LEU N N 64 120.663 120.663 115.099 5.564 19617 2010 1 5 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.530 -0.144 19617 2011 1 5 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.962 -0.069 19617 2012 1 5 . 1 1 64 64 LEU CB C 64 41.463 41.463 42.601 -1.138 19617 2013 1 5 . 1 1 64 64 LEU H H 64 7.680 7.680 7.762 -0.082 19617 2014 1 5 . 1 1 65 65 ALA N N 65 108.347 108.347 126.708 -18.361 19617 2015 1 5 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.538 0.864 19617 2016 1 5 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.392 -2.125 19617 2017 1 5 . 1 1 65 65 ALA CB C 65 21.555 21.555 19.290 2.265 19617 2018 1 5 . 1 1 65 65 ALA H H 65 9.874 9.874 8.185 1.689 19617 2019 1 5 . 1 1 66 66 SER N N 66 115.950 115.950 121.120 -5.170 19617 2020 1 5 . 1 1 66 66 SER HA H 66 4.906 4.906 5.570 -0.664 19617 2021 1 5 . 1 1 66 66 SER CA C 66 56.645 56.645 56.617 0.028 19617 2022 1 5 . 1 1 66 66 SER CB C 66 63.823 63.823 65.853 -2.030 19617 2023 1 5 . 1 1 66 66 SER H H 66 8.938 8.938 8.661 0.277 19617 2024 1 5 . 1 1 67 67 THR N N 67 113.595 113.595 115.370 -1.775 19617 2025 1 5 . 1 1 67 67 THR HA H 67 4.649 4.649 4.791 -0.142 19617 2026 1 5 . 1 1 67 67 THR CA C 67 59.216 59.216 61.504 -2.288 19617 2027 1 5 . 1 1 67 67 THR CB C 67 69.006 69.006 71.861 -2.855 19617 2028 1 5 . 1 1 67 67 THR H H 67 8.257 8.257 8.323 -0.066 19617 2029 1 5 . 1 1 68 68 LEU N N 68 124.152 124.152 123.790 0.362 19617 2030 1 5 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.693 -0.331 19617 2031 1 5 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.765 0.347 19617 2032 1 5 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.160 -0.245 19617 2033 1 5 . 1 1 68 68 LEU H H 68 8.616 8.616 8.398 0.218 19617 2034 1 5 . 1 1 69 69 ASN N N 69 115.820 115.820 116.579 -0.759 19617 2035 1 5 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.858 -0.198 19617 2036 1 5 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.049 0.407 19617 2037 1 5 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.448 1.858 19617 2038 1 5 . 1 1 69 69 ASN H H 69 7.965 7.965 7.751 0.214 19617 2039 1 5 . 1 1 70 70 GLN N N 70 114.562 114.562 119.740 -5.178 19617 2040 1 5 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.470 -0.544 19617 2041 1 5 . 1 1 70 70 GLN CA C 70 55.237 55.237 56.059 -0.822 19617 2042 1 5 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.414 0.592 19617 2043 1 5 . 1 1 70 70 GLN H H 70 8.287 8.287 8.615 -0.328 19617 2044 1 5 . 1 1 71 71 GLY N N 71 108.005 108.005 111.377 -3.372 19617 2045 1 5 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.419 -1.732 19617 2046 1 5 . 1 1 71 71 GLY H H 71 8.520 8.520 8.107 0.413 19617 2047 1 5 . 1 1 72 72 ASN N N 72 117.787 117.787 118.964 -1.177 19617 2048 1 5 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.086 0.387 19617 2049 1 5 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.255 -0.564 19617 2050 1 5 . 1 1 72 72 ASN CB C 72 39.896 39.896 42.060 -2.164 19617 2051 1 5 . 1 1 72 72 ASN H H 72 8.420 8.420 8.123 0.297 19617 2052 1 5 . 1 1 73 73 VAL N N 73 115.846 115.846 116.770 -0.924 19617 2053 1 5 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.634 -0.107 19617 2054 1 5 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.554 -0.579 19617 2055 1 5 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.228 -0.049 19617 2056 1 5 . 1 1 73 73 VAL H H 73 8.990 8.990 9.189 -0.199 19617 2057 1 5 . 1 1 74 74 LYS N N 74 123.195 123.195 123.614 -0.419 19617 2058 1 5 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.714 0.440 19617 2059 1 5 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.997 -1.116 19617 2060 1 5 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.859 -0.262 19617 2061 1 5 . 1 1 74 74 LYS H H 74 8.715 8.715 8.356 0.359 19617 2062 1 5 . 1 1 75 75 VAL N N 75 129.521 129.521 128.920 0.601 19617 2063 1 5 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.921 -0.378 19617 2064 1 5 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.214 -0.398 19617 2065 1 5 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.013 -1.530 19617 2066 1 5 . 1 1 75 75 VAL H H 75 8.975 8.975 8.298 0.677 19617 2067 1 5 . 1 1 76 76 THR N N 76 120.544 120.544 117.256 3.288 19617 2068 1 5 . 1 1 76 76 THR HA H 76 5.067 5.067 5.016 0.051 19617 2069 1 5 . 1 1 76 76 THR CA C 76 59.783 59.783 60.004 -0.221 19617 2070 1 5 . 1 1 76 76 THR CB C 76 70.733 70.733 71.263 -0.530 19617 2071 1 5 . 1 1 76 76 THR H H 76 8.650 8.650 8.202 0.448 19617 2072 1 5 . 1 1 77 77 ALA N N 77 126.453 126.453 127.355 -0.902 19617 2073 1 5 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.578 -1.198 19617 2074 1 5 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.301 -2.871 19617 2075 1 5 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.327 -1.783 19617 2076 1 5 . 1 1 77 77 ALA H H 77 8.674 8.674 8.170 0.504 19617 2077 1 5 . 1 1 78 78 SER N N 78 113.566 113.566 117.754 -4.188 19617 2078 1 5 . 1 1 78 78 SER HA H 78 5.377 5.377 4.860 0.517 19617 2079 1 5 . 1 1 78 78 SER CA C 78 56.077 56.077 57.735 -1.658 19617 2080 1 5 . 1 1 78 78 SER CB C 78 65.730 65.730 66.329 -0.599 19617 2081 1 5 . 1 1 78 78 SER H H 78 8.116 8.116 8.441 -0.325 19617 2082 1 5 . 1 1 79 79 ILE N N 79 121.070 121.070 123.192 -2.122 19617 2083 1 5 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.467 -0.319 19617 2084 1 5 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.124 1.000 19617 2085 1 5 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.917 -2.108 19617 2086 1 5 . 1 1 79 79 ILE H H 79 8.446 8.446 7.939 0.507 19617 2087 1 5 . 1 1 80 80 GLY N N 80 117.155 117.155 116.568 0.587 19617 2088 1 5 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.204 -0.198 19617 2089 1 5 . 1 1 80 80 GLY H H 80 8.899 8.899 8.751 0.148 19617 2090 1 5 . 1 1 81 81 GLY N N 81 110.715 110.715 109.563 1.152 19617 2091 1 5 . 1 1 81 81 GLY CA C 81 44.378 44.378 43.625 0.753 19617 2092 1 5 . 1 1 81 81 GLY H H 81 8.742 8.742 8.096 0.646 19617 2093 1 5 . 1 1 82 82 ILE N N 82 124.113 124.113 118.410 5.703 19617 2094 1 5 . 1 1 82 82 ILE HA H 82 4.202 4.202 3.704 0.498 19617 2095 1 5 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.485 -2.452 19617 2096 1 5 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.338 -1.561 19617 2097 1 5 . 1 1 82 82 ILE H H 82 8.188 8.188 8.513 -0.325 19617 2098 1 5 . 1 1 83 83 GLN N N 83 122.453 122.453 120.598 1.855 19617 2099 1 5 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.644 0.752 19617 2100 1 5 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.258 -1.238 19617 2101 1 5 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.154 0.361 19617 2102 1 5 . 1 1 83 83 GLN H H 83 8.423 8.423 8.181 0.242 19617 2103 1 5 . 1 1 84 84 GLY N N 84 111.436 111.436 108.186 3.250 19617 2104 1 5 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.186 -0.488 19617 2105 1 5 . 1 1 84 84 GLY H H 84 8.931 8.931 8.774 0.157 19617 2106 1 5 . 1 1 85 85 SER N N 85 113.877 113.877 116.989 -3.112 19617 2107 1 5 . 1 1 85 85 SER HA H 85 5.843 5.843 4.954 0.889 19617 2108 1 5 . 1 1 85 85 SER CA C 85 56.264 56.264 56.495 -0.231 19617 2109 1 5 . 1 1 85 85 SER CB C 85 66.946 66.946 65.786 1.160 19617 2110 1 5 . 1 1 85 85 SER H H 85 8.710 8.710 8.255 0.455 19617 2111 1 5 . 1 1 86 86 THR N N 86 115.389 115.389 117.050 -1.661 19617 2112 1 5 . 1 1 86 86 THR HA H 86 4.772 4.772 4.466 0.306 19617 2113 1 5 . 1 1 86 86 THR CA C 86 60.313 60.313 61.018 -0.705 19617 2114 1 5 . 1 1 86 86 THR CB C 86 69.852 69.852 71.182 -1.330 19617 2115 1 5 . 1 1 86 86 THR H H 86 8.854 8.854 8.388 0.466 19617 2116 1 5 . 1 1 87 87 ASP N N 87 124.622 124.622 125.988 -1.366 19617 2117 1 5 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.771 0.667 19617 2118 1 5 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.849 0.947 19617 2119 1 5 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.374 -0.364 19617 2120 1 5 . 1 1 87 87 ASP H H 87 7.953 7.953 8.277 -0.324 19617 2121 1 5 . 1 1 88 88 PHE N N 88 123.577 123.577 124.910 -1.333 19617 2122 1 5 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.363 -0.430 19617 2123 1 5 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.602 1.366 19617 2124 1 5 . 1 1 88 88 PHE CB C 88 42.884 42.884 41.869 1.015 19617 2125 1 5 . 1 1 88 88 PHE H H 88 9.094 9.094 8.748 0.346 19617 2126 1 5 . 1 1 89 89 LYS N N 89 126.966 126.966 125.231 1.735 19617 2127 1 5 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.770 0.267 19617 2128 1 5 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.404 -1.515 19617 2129 1 5 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.056 -0.387 19617 2130 1 5 . 1 1 89 89 LYS H H 89 7.269 7.269 8.472 -1.203 19617 2131 1 5 . 1 1 90 90 VAL N N 90 126.146 126.146 128.681 -2.535 19617 2132 1 5 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.419 -0.411 19617 2133 1 5 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.034 0.513 19617 2134 1 5 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.278 -3.330 19617 2135 1 5 . 1 1 90 90 VAL H H 90 9.086 9.086 8.181 0.905 19617 2136 1 5 . 1 1 91 91 THR N N 91 120.506 120.506 120.266 0.240 19617 2137 1 5 . 1 1 91 91 THR HA H 91 4.568 4.568 4.800 -0.232 19617 2138 1 5 . 1 1 91 91 THR CA C 91 59.348 59.348 59.988 -0.640 19617 2139 1 5 . 1 1 91 91 THR CB C 91 68.970 68.970 71.934 -2.964 19617 2140 1 5 . 1 1 91 91 THR H H 91 8.757 8.757 7.885 0.872 19617 2141 1 6 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.869 -0.598 19617 2142 1 6 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.599 -1.377 19617 2143 1 6 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.615 -1.199 19617 2144 1 6 . 1 1 3 3 ALA N N 3 123.801 123.801 122.220 1.581 19617 2145 1 6 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.407 -0.201 19617 2146 1 6 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.687 -0.292 19617 2147 1 6 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.764 -1.924 19617 2148 1 6 . 1 1 3 3 ALA H H 3 8.647 8.647 8.129 0.518 19617 2149 1 6 . 1 1 4 4 ALA N N 4 124.058 124.058 120.868 3.190 19617 2150 1 6 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.701 -0.022 19617 2151 1 6 . 1 1 4 4 ALA CA C 4 50.022 50.022 52.086 -2.064 19617 2152 1 6 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.653 0.244 19617 2153 1 6 . 1 1 4 4 ALA H H 4 8.239 8.239 8.329 -0.090 19617 2154 1 6 . 1 1 5 5 LEU N N 5 124.019 124.019 125.056 -1.037 19617 2155 1 6 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.461 -1.089 19617 2156 1 6 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.227 -1.220 19617 2157 1 6 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.953 -1.711 19617 2158 1 6 . 1 1 5 5 LEU H H 5 8.560 8.560 8.659 -0.099 19617 2159 1 6 . 1 1 6 6 VAL N N 6 123.358 123.358 122.458 0.900 19617 2160 1 6 . 1 1 6 6 VAL HA H 6 4.101 4.101 3.856 0.245 19617 2161 1 6 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.996 -0.656 19617 2162 1 6 . 1 1 6 6 VAL CB C 6 32.948 32.948 31.434 1.514 19617 2163 1 6 . 1 1 6 6 VAL H H 6 9.119 9.119 8.107 1.012 19617 2164 1 6 . 1 1 7 7 SER N N 7 112.139 112.139 120.670 -8.531 19617 2165 1 6 . 1 1 7 7 SER HA H 7 4.445 4.445 4.692 -0.247 19617 2166 1 6 . 1 1 7 7 SER CA C 7 56.349 56.349 58.085 -1.736 19617 2167 1 6 . 1 1 7 7 SER CB C 7 64.361 64.361 64.362 -0.001 19617 2168 1 6 . 1 1 7 7 SER H H 7 7.680 7.680 8.159 -0.479 19617 2169 1 6 . 1 1 8 8 ILE N N 8 118.677 118.677 124.856 -6.179 19617 2170 1 6 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.738 -0.057 19617 2171 1 6 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.021 -0.875 19617 2172 1 6 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.045 -0.371 19617 2173 1 6 . 1 1 8 8 ILE H H 8 8.354 8.354 8.443 -0.089 19617 2174 1 6 . 1 1 9 9 SER N N 9 121.319 121.319 121.363 -0.044 19617 2175 1 6 . 1 1 9 9 SER HA H 9 4.859 4.859 4.732 0.127 19617 2176 1 6 . 1 1 9 9 SER CA C 9 55.381 55.381 57.401 -2.020 19617 2177 1 6 . 1 1 9 9 SER CB C 9 64.243 64.243 63.959 0.284 19617 2178 1 6 . 1 1 9 9 SER H H 9 9.028 9.028 8.302 0.726 19617 2179 1 6 . 1 1 10 10 VAL N N 10 127.508 127.508 126.363 1.145 19617 2180 1 6 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.850 0.201 19617 2181 1 6 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.763 0.149 19617 2182 1 6 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.821 -0.434 19617 2183 1 6 . 1 1 10 10 VAL H H 10 8.911 8.911 8.501 0.410 19617 2184 1 6 . 1 1 11 11 SER N N 11 121.861 121.861 124.552 -2.691 19617 2185 1 6 . 1 1 11 11 SER CB C 11 64.373 64.373 62.977 1.396 19617 2186 1 6 . 1 1 11 11 SER H H 11 9.205 9.205 8.479 0.726 19617 2187 1 6 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.410 0.300 19617 2188 1 6 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.425 -1.526 19617 2189 1 6 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.090 1.999 19617 2190 1 6 . 1 1 13 13 THR N N 13 116.138 116.138 116.368 -0.230 19617 2191 1 6 . 1 1 13 13 THR HA H 13 4.766 4.766 4.486 0.280 19617 2192 1 6 . 1 1 13 13 THR CA C 13 60.153 60.153 61.024 -0.871 19617 2193 1 6 . 1 1 13 13 THR CB C 13 69.426 69.426 70.217 -0.791 19617 2194 1 6 . 1 1 13 13 THR H H 13 8.679 8.679 8.315 0.364 19617 2195 1 6 . 1 1 14 14 ASN N N 14 124.457 124.457 125.144 -0.687 19617 2196 1 6 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.045 -0.348 19617 2197 1 6 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.331 0.797 19617 2198 1 6 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.458 -1.865 19617 2199 1 6 . 1 1 14 14 ASN H H 14 8.710 8.710 8.820 -0.110 19617 2200 1 6 . 1 1 15 15 SER N N 15 113.672 113.672 117.763 -4.091 19617 2201 1 6 . 1 1 15 15 SER HA H 15 4.651 4.651 4.730 -0.079 19617 2202 1 6 . 1 1 15 15 SER CA C 15 55.644 55.644 58.019 -2.375 19617 2203 1 6 . 1 1 15 15 SER CB C 15 63.953 63.953 64.352 -0.399 19617 2204 1 6 . 1 1 15 15 SER H H 15 9.127 9.127 8.099 1.028 19617 2205 1 6 . 1 1 16 16 THR N N 16 113.578 113.578 114.783 -1.205 19617 2206 1 6 . 1 1 16 16 THR HA H 16 4.975 4.975 5.025 -0.050 19617 2207 1 6 . 1 1 16 16 THR CA C 16 58.445 58.445 60.780 -2.335 19617 2208 1 6 . 1 1 16 16 THR CB C 16 70.534 70.534 70.319 0.215 19617 2209 1 6 . 1 1 16 16 THR H H 16 7.962 7.962 8.197 -0.235 19617 2210 1 6 . 1 1 17 17 VAL N N 17 121.480 121.480 121.491 -0.011 19617 2211 1 6 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.394 -0.072 19617 2212 1 6 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.407 0.530 19617 2213 1 6 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.441 -0.037 19617 2214 1 6 . 1 1 17 17 VAL H H 17 7.969 7.969 8.940 -0.971 19617 2215 1 6 . 1 1 18 18 ALA N N 18 126.013 126.013 128.612 -2.599 19617 2216 1 6 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.295 -0.120 19617 2217 1 6 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.054 -1.091 19617 2218 1 6 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.722 -0.800 19617 2219 1 6 . 1 1 18 18 ALA H H 18 7.756 7.756 8.440 -0.684 19617 2220 1 6 . 1 1 19 19 LYS N N 19 119.740 119.740 123.144 -3.404 19617 2221 1 6 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.075 -0.586 19617 2222 1 6 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.742 1.030 19617 2223 1 6 . 1 1 19 19 LYS CB C 19 31.602 31.602 31.968 -0.366 19617 2224 1 6 . 1 1 19 19 LYS H H 19 7.892 7.892 8.387 -0.495 19617 2225 1 6 . 1 1 20 20 GLY N N 20 116.706 116.706 111.079 5.627 19617 2226 1 6 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.655 -1.892 19617 2227 1 6 . 1 1 20 20 GLY H H 20 8.615 8.615 8.481 0.134 19617 2228 1 6 . 1 1 21 21 LEU N N 21 123.004 123.004 123.223 -0.219 19617 2229 1 6 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.702 -0.112 19617 2230 1 6 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.047 -0.682 19617 2231 1 6 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.329 -5.367 19617 2232 1 6 . 1 1 21 21 LEU H H 21 8.013 8.013 7.834 0.179 19617 2233 1 6 . 1 1 22 22 GLN N N 22 117.502 117.502 119.538 -2.036 19617 2234 1 6 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.291 -0.165 19617 2235 1 6 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.103 -0.434 19617 2236 1 6 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.685 -0.771 19617 2237 1 6 . 1 1 22 22 GLN H H 22 8.223 8.223 8.304 -0.081 19617 2238 1 6 . 1 1 23 23 GLU N N 23 118.123 118.123 124.795 -6.672 19617 2239 1 6 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.547 0.015 19617 2240 1 6 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.720 -1.853 19617 2241 1 6 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.101 -0.227 19617 2242 1 6 . 1 1 23 23 GLU H H 23 8.188 8.188 8.762 -0.574 19617 2243 1 6 . 1 1 24 24 ASN N N 24 125.843 125.843 121.251 4.592 19617 2244 1 6 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.269 -0.492 19617 2245 1 6 . 1 1 24 24 ASN CA C 24 52.511 52.511 51.687 0.824 19617 2246 1 6 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.033 -0.287 19617 2247 1 6 . 1 1 24 24 ASN H H 24 9.391 9.391 8.283 1.108 19617 2248 1 6 . 1 1 25 25 PHE N N 25 122.822 122.822 119.521 3.301 19617 2249 1 6 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.964 -0.314 19617 2250 1 6 . 1 1 25 25 PHE CA C 25 57.123 57.123 55.785 1.338 19617 2251 1 6 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.209 -3.150 19617 2252 1 6 . 1 1 25 25 PHE H H 25 8.059 8.059 8.258 -0.199 19617 2253 1 6 . 1 1 26 26 LYS N N 26 119.114 119.114 119.558 -0.444 19617 2254 1 6 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.745 0.499 19617 2255 1 6 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.342 -3.366 19617 2256 1 6 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.741 -1.080 19617 2257 1 6 . 1 1 26 26 LYS H H 26 9.255 9.255 8.705 0.550 19617 2258 1 6 . 1 1 27 27 ALA N N 27 125.586 125.586 129.163 -3.577 19617 2259 1 6 . 1 1 27 27 ALA HA H 27 5.263 5.263 4.958 0.305 19617 2260 1 6 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.141 -2.324 19617 2261 1 6 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.107 -0.947 19617 2262 1 6 . 1 1 27 27 ALA H H 27 9.119 9.119 8.373 0.746 19617 2263 1 6 . 1 1 28 28 THR N N 28 120.628 120.628 115.735 4.893 19617 2264 1 6 . 1 1 28 28 THR HA H 28 4.843 4.843 4.646 0.197 19617 2265 1 6 . 1 1 28 28 THR CA C 28 60.566 60.566 60.787 -0.221 19617 2266 1 6 . 1 1 28 28 THR CB C 28 69.478 69.478 70.323 -0.845 19617 2267 1 6 . 1 1 28 28 THR H H 28 9.061 9.061 7.711 1.350 19617 2268 1 6 . 1 1 29 29 GLY N N 29 115.787 115.787 112.925 2.862 19617 2269 1 6 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.048 0.268 19617 2270 1 6 . 1 1 29 29 GLY H H 29 9.663 9.663 8.604 1.059 19617 2271 1 6 . 1 1 30 30 ILE N N 30 123.084 123.084 124.373 -1.289 19617 2272 1 6 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.151 0.630 19617 2273 1 6 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.096 -0.708 19617 2274 1 6 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.377 -3.494 19617 2275 1 6 . 1 1 30 30 ILE H H 30 7.914 7.914 7.433 0.481 19617 2276 1 6 . 1 1 31 31 PHE N N 31 125.209 125.209 124.133 1.076 19617 2277 1 6 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.974 0.396 19617 2278 1 6 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.523 -0.036 19617 2279 1 6 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.437 -0.284 19617 2280 1 6 . 1 1 31 31 PHE H H 31 8.316 8.316 8.444 -0.128 19617 2281 1 6 . 1 1 32 32 THR N N 32 113.843 113.843 117.937 -4.094 19617 2282 1 6 . 1 1 32 32 THR HA H 32 4.409 4.409 4.145 0.264 19617 2283 1 6 . 1 1 32 32 THR CA C 32 64.157 64.157 66.042 -1.885 19617 2284 1 6 . 1 1 32 32 THR CB C 32 68.540 68.540 68.909 -0.369 19617 2285 1 6 . 1 1 32 32 THR H H 32 9.335 9.335 9.015 0.320 19617 2286 1 6 . 1 1 33 33 ASP N N 33 118.799 118.799 118.385 0.414 19617 2287 1 6 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.746 -0.124 19617 2288 1 6 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.654 -1.691 19617 2289 1 6 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.870 -1.376 19617 2290 1 6 . 1 1 33 33 ASP H H 33 7.689 7.689 8.624 -0.935 19617 2291 1 6 . 1 1 34 34 ASN N N 34 112.999 112.999 118.625 -5.626 19617 2292 1 6 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.748 -0.398 19617 2293 1 6 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.076 0.270 19617 2294 1 6 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.296 -3.806 19617 2295 1 6 . 1 1 34 34 ASN H H 34 8.370 8.370 7.756 0.614 19617 2296 1 6 . 1 1 35 35 SER N N 35 115.544 115.544 113.835 1.709 19617 2297 1 6 . 1 1 35 35 SER HA H 35 4.410 4.410 4.313 0.097 19617 2298 1 6 . 1 1 35 35 SER CA C 35 57.882 57.882 59.152 -1.270 19617 2299 1 6 . 1 1 35 35 SER CB C 35 63.770 63.770 62.327 1.443 19617 2300 1 6 . 1 1 35 35 SER H H 35 7.990 7.990 8.729 -0.739 19617 2301 1 6 . 1 1 36 36 ASN N N 36 116.055 116.055 119.306 -3.251 19617 2302 1 6 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.140 -1.466 19617 2303 1 6 . 1 1 36 36 ASN CB C 36 41.799 41.799 41.072 0.727 19617 2304 1 6 . 1 1 36 36 ASN H H 36 8.518 8.518 8.275 0.243 19617 2305 1 6 . 1 1 37 37 SER N N 37 113.193 113.193 114.761 -1.568 19617 2306 1 6 . 1 1 37 37 SER HA H 37 4.719 4.719 4.549 0.170 19617 2307 1 6 . 1 1 37 37 SER CA C 37 56.801 56.801 58.601 -1.800 19617 2308 1 6 . 1 1 37 37 SER CB C 37 64.872 64.872 64.602 0.270 19617 2309 1 6 . 1 1 37 37 SER H H 37 8.667 8.667 8.500 0.167 19617 2310 1 6 . 1 1 38 38 ASP N N 38 123.964 123.964 122.158 1.806 19617 2311 1 6 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.676 0.306 19617 2312 1 6 . 1 1 38 38 ASP CA C 38 54.201 54.201 56.119 -1.918 19617 2313 1 6 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.377 -0.448 19617 2314 1 6 . 1 1 38 38 ASP H H 38 8.849 8.849 8.814 0.035 19617 2315 1 6 . 1 1 39 39 ILE N N 39 121.214 121.214 122.268 -1.054 19617 2316 1 6 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.199 0.677 19617 2317 1 6 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.575 -2.869 19617 2318 1 6 . 1 1 39 39 ILE CB C 39 37.086 37.086 38.725 -1.639 19617 2319 1 6 . 1 1 39 39 ILE H H 39 8.816 8.816 8.083 0.733 19617 2320 1 6 . 1 1 40 40 THR N N 40 122.861 122.861 117.857 5.004 19617 2321 1 6 . 1 1 40 40 THR HA H 40 4.289 4.289 4.091 0.198 19617 2322 1 6 . 1 1 40 40 THR CB C 40 68.527 68.527 68.907 -0.380 19617 2323 1 6 . 1 1 40 40 THR H H 40 8.679 8.679 8.008 0.671 19617 2324 1 6 . 1 1 41 41 ASP N N 41 114.076 114.076 118.843 -4.767 19617 2325 1 6 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.646 -0.949 19617 2326 1 6 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.266 -0.788 19617 2327 1 6 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.514 -2.796 19617 2328 1 6 . 1 1 41 41 ASP H H 41 8.539 8.539 8.048 0.491 19617 2329 1 6 . 1 1 42 42 GLN N N 42 117.086 117.086 117.815 -0.729 19617 2330 1 6 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.982 0.164 19617 2331 1 6 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.344 -0.808 19617 2332 1 6 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.922 2.295 19617 2333 1 6 . 1 1 42 42 GLN H H 42 7.718 7.718 8.087 -0.369 19617 2334 1 6 . 1 1 43 43 VAL N N 43 109.916 109.916 122.656 -12.740 19617 2335 1 6 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.894 0.197 19617 2336 1 6 . 1 1 43 43 VAL CA C 43 58.840 58.840 64.172 -5.332 19617 2337 1 6 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.137 -0.864 19617 2338 1 6 . 1 1 43 43 VAL H H 43 6.902 6.902 8.146 -1.244 19617 2339 1 6 . 1 1 44 44 THR N N 44 116.270 116.270 119.923 -3.653 19617 2340 1 6 . 1 1 44 44 THR HA H 44 4.311 4.311 4.594 -0.283 19617 2341 1 6 . 1 1 44 44 THR CA C 44 61.651 61.651 61.930 -0.279 19617 2342 1 6 . 1 1 44 44 THR CB C 44 68.890 68.890 69.015 -0.125 19617 2343 1 6 . 1 1 44 44 THR H H 44 8.787 8.787 8.032 0.755 19617 2344 1 6 . 1 1 45 45 TRP N N 45 132.099 132.099 127.195 4.904 19617 2345 1 6 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.164 0.082 19617 2346 1 6 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.561 -1.174 19617 2347 1 6 . 1 1 45 45 TRP CB C 45 30.077 30.077 32.370 -2.293 19617 2348 1 6 . 1 1 45 45 TRP H H 45 10.351 10.351 8.700 1.651 19617 2349 1 6 . 1 1 46 46 ASP N N 46 121.897 121.897 122.889 -0.992 19617 2350 1 6 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.098 -0.239 19617 2351 1 6 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.465 -0.668 19617 2352 1 6 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.611 -0.536 19617 2353 1 6 . 1 1 46 46 ASP H H 46 9.471 9.471 9.301 0.170 19617 2354 1 6 . 1 1 47 47 SER N N 47 113.805 113.805 116.366 -2.561 19617 2355 1 6 . 1 1 47 47 SER HA H 47 5.044 5.044 4.987 0.057 19617 2356 1 6 . 1 1 47 47 SER CA C 47 53.059 53.059 56.818 -3.759 19617 2357 1 6 . 1 1 47 47 SER CB C 47 64.880 64.880 65.562 -0.682 19617 2358 1 6 . 1 1 47 47 SER H H 47 8.502 8.502 8.588 -0.086 19617 2359 1 6 . 1 1 48 48 SER N N 48 119.614 119.614 118.106 1.508 19617 2360 1 6 . 1 1 48 48 SER HA H 48 4.281 4.281 4.287 -0.006 19617 2361 1 6 . 1 1 48 48 SER CA C 48 59.404 59.404 60.567 -1.163 19617 2362 1 6 . 1 1 48 48 SER CB C 48 62.026 62.026 63.611 -1.585 19617 2363 1 6 . 1 1 48 48 SER H H 48 8.518 8.518 8.673 -0.155 19617 2364 1 6 . 1 1 49 49 ASN N N 49 118.260 118.260 116.420 1.840 19617 2365 1 6 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.455 0.440 19617 2366 1 6 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.607 -0.766 19617 2367 1 6 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.031 -0.311 19617 2368 1 6 . 1 1 49 49 ASN H H 49 7.816 7.816 8.294 -0.478 19617 2369 1 6 . 1 1 50 50 THR N N 50 119.289 119.289 111.470 7.819 19617 2370 1 6 . 1 1 50 50 THR HA H 50 4.567 4.567 4.163 0.404 19617 2371 1 6 . 1 1 50 50 THR CA C 50 62.137 62.137 64.478 -2.341 19617 2372 1 6 . 1 1 50 50 THR CB C 50 67.100 67.100 69.184 -2.084 19617 2373 1 6 . 1 1 50 50 THR H H 50 9.048 9.048 8.094 0.954 19617 2374 1 6 . 1 1 51 51 ASP N N 51 118.825 118.825 116.466 2.359 19617 2375 1 6 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.624 -0.047 19617 2376 1 6 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.236 -0.546 19617 2377 1 6 . 1 1 51 51 ASP CB C 51 39.658 39.658 41.980 -2.322 19617 2378 1 6 . 1 1 51 51 ASP H H 51 8.251 8.251 7.901 0.350 19617 2379 1 6 . 1 1 52 52 ILE N N 52 118.410 118.410 120.888 -2.478 19617 2380 1 6 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.351 -0.425 19617 2381 1 6 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.283 0.398 19617 2382 1 6 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.858 0.038 19617 2383 1 6 . 1 1 52 52 ILE H H 52 7.169 7.169 8.249 -1.080 19617 2384 1 6 . 1 1 53 53 LEU N N 53 120.129 120.129 125.137 -5.008 19617 2385 1 6 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.877 0.145 19617 2386 1 6 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.640 -0.359 19617 2387 1 6 . 1 1 53 53 LEU CB C 53 46.405 46.405 43.782 2.623 19617 2388 1 6 . 1 1 53 53 LEU H H 53 7.876 7.876 8.052 -0.176 19617 2389 1 6 . 1 1 54 54 SER N N 54 122.249 122.249 119.820 2.429 19617 2390 1 6 . 1 1 54 54 SER HA H 54 4.954 4.954 4.747 0.207 19617 2391 1 6 . 1 1 54 54 SER CA C 54 54.724 54.724 57.343 -2.619 19617 2392 1 6 . 1 1 54 54 SER CB C 54 64.417 64.417 66.082 -1.665 19617 2393 1 6 . 1 1 54 54 SER H H 54 8.650 8.650 8.871 -0.221 19617 2394 1 6 . 1 1 55 55 ILE N N 55 123.973 123.973 123.687 0.286 19617 2395 1 6 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.143 0.759 19617 2396 1 6 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.719 -1.851 19617 2397 1 6 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.476 1.942 19617 2398 1 6 . 1 1 55 55 ILE H H 55 9.081 9.081 8.465 0.616 19617 2399 1 6 . 1 1 56 56 SER N N 56 119.541 119.541 123.527 -3.986 19617 2400 1 6 . 1 1 56 56 SER HA H 56 4.384 4.384 4.742 -0.358 19617 2401 1 6 . 1 1 56 56 SER CA C 56 56.626 56.626 57.348 -0.722 19617 2402 1 6 . 1 1 56 56 SER CB C 56 63.106 63.106 64.218 -1.112 19617 2403 1 6 . 1 1 56 56 SER H H 56 7.905 7.905 8.402 -0.497 19617 2404 1 6 . 1 1 57 57 ASN N N 57 124.208 124.208 123.861 0.347 19617 2405 1 6 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.876 0.140 19617 2406 1 6 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.758 0.711 19617 2407 1 6 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.536 0.554 19617 2408 1 6 . 1 1 57 57 ASN H H 57 8.945 8.945 8.792 0.153 19617 2409 1 6 . 1 1 58 58 ALA N N 58 124.301 124.301 126.607 -2.306 19617 2410 1 6 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.349 -0.215 19617 2411 1 6 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.420 -0.133 19617 2412 1 6 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.754 -1.400 19617 2413 1 6 . 1 1 58 58 ALA H H 58 8.150 8.150 8.113 0.037 19617 2414 1 6 . 1 1 59 59 SER N N 59 113.293 113.293 113.160 0.133 19617 2415 1 6 . 1 1 59 59 SER HA H 59 4.706 4.706 4.267 0.439 19617 2416 1 6 . 1 1 59 59 SER CA C 59 60.003 60.003 59.142 0.861 19617 2417 1 6 . 1 1 59 59 SER CB C 59 62.574 62.574 63.715 -1.141 19617 2418 1 6 . 1 1 59 59 SER H H 59 8.377 8.377 8.403 -0.026 19617 2419 1 6 . 1 1 60 60 ASP N N 60 116.272 116.272 122.063 -5.791 19617 2420 1 6 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.525 0.146 19617 2421 1 6 . 1 1 60 60 ASP CA C 60 52.759 52.759 56.628 -3.869 19617 2422 1 6 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.142 -1.430 19617 2423 1 6 . 1 1 60 60 ASP H H 60 8.310 8.310 8.302 0.008 19617 2424 1 6 . 1 1 61 61 SER N N 61 112.651 112.651 110.159 2.492 19617 2425 1 6 . 1 1 61 61 SER HA H 61 4.630 4.630 4.376 0.254 19617 2426 1 6 . 1 1 61 61 SER CA C 61 56.180 56.180 58.739 -2.559 19617 2427 1 6 . 1 1 61 61 SER CB C 61 61.843 61.843 63.642 -1.799 19617 2428 1 6 . 1 1 61 61 SER H H 61 7.588 7.588 7.781 -0.193 19617 2429 1 6 . 1 1 62 62 HIS N N 62 119.790 119.790 120.885 -1.095 19617 2430 1 6 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.780 -0.734 19617 2431 1 6 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.999 0.920 19617 2432 1 6 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.642 -2.119 19617 2433 1 6 . 1 1 62 62 HIS H H 62 8.030 8.030 8.164 -0.134 19617 2434 1 6 . 1 1 63 63 GLY N N 63 113.297 113.297 109.181 4.116 19617 2435 1 6 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.989 -0.336 19617 2436 1 6 . 1 1 63 63 GLY H H 63 8.733 8.733 8.647 0.086 19617 2437 1 6 . 1 1 64 64 LEU N N 64 120.663 120.663 119.951 0.712 19617 2438 1 6 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.334 -0.948 19617 2439 1 6 . 1 1 64 64 LEU CA C 64 54.893 54.893 52.933 1.960 19617 2440 1 6 . 1 1 64 64 LEU CB C 64 41.463 41.463 42.650 -1.187 19617 2441 1 6 . 1 1 64 64 LEU H H 64 7.680 7.680 8.739 -1.059 19617 2442 1 6 . 1 1 65 65 ALA N N 65 108.347 108.347 126.526 -18.179 19617 2443 1 6 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.543 0.859 19617 2444 1 6 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.568 -1.301 19617 2445 1 6 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.040 0.515 19617 2446 1 6 . 1 1 65 65 ALA H H 65 9.874 9.874 8.589 1.285 19617 2447 1 6 . 1 1 66 66 SER N N 66 115.950 115.950 118.718 -2.768 19617 2448 1 6 . 1 1 66 66 SER HA H 66 4.906 4.906 5.394 -0.488 19617 2449 1 6 . 1 1 66 66 SER CA C 66 56.645 56.645 56.466 0.179 19617 2450 1 6 . 1 1 66 66 SER CB C 66 63.823 63.823 65.543 -1.720 19617 2451 1 6 . 1 1 66 66 SER H H 66 8.938 8.938 8.630 0.308 19617 2452 1 6 . 1 1 67 67 THR N N 67 113.595 113.595 121.514 -7.919 19617 2453 1 6 . 1 1 67 67 THR HA H 67 4.649 4.649 4.929 -0.280 19617 2454 1 6 . 1 1 67 67 THR CA C 67 59.216 59.216 60.639 -1.423 19617 2455 1 6 . 1 1 67 67 THR CB C 67 69.006 69.006 71.115 -2.109 19617 2456 1 6 . 1 1 67 67 THR H H 67 8.257 8.257 8.188 0.069 19617 2457 1 6 . 1 1 68 68 LEU N N 68 124.152 124.152 127.240 -3.088 19617 2458 1 6 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.718 -0.356 19617 2459 1 6 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.517 -0.405 19617 2460 1 6 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.578 -0.663 19617 2461 1 6 . 1 1 68 68 LEU H H 68 8.616 8.616 8.695 -0.079 19617 2462 1 6 . 1 1 69 69 ASN N N 69 115.820 115.820 118.683 -2.863 19617 2463 1 6 . 1 1 69 69 ASN HA H 69 4.660 4.660 5.042 -0.382 19617 2464 1 6 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.729 -0.273 19617 2465 1 6 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.371 0.935 19617 2466 1 6 . 1 1 69 69 ASN H H 69 7.965 7.965 7.761 0.204 19617 2467 1 6 . 1 1 70 70 GLN N N 70 114.562 114.562 117.192 -2.630 19617 2468 1 6 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.531 -0.605 19617 2469 1 6 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.875 0.362 19617 2470 1 6 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.960 0.046 19617 2471 1 6 . 1 1 70 70 GLN H H 70 8.287 8.287 8.602 -0.315 19617 2472 1 6 . 1 1 71 71 GLY N N 71 108.005 108.005 114.541 -6.536 19617 2473 1 6 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.217 -1.531 19617 2474 1 6 . 1 1 71 71 GLY H H 71 8.520 8.520 8.100 0.420 19617 2475 1 6 . 1 1 72 72 ASN N N 72 117.787 117.787 120.853 -3.066 19617 2476 1 6 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.143 0.330 19617 2477 1 6 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.213 -0.522 19617 2478 1 6 . 1 1 72 72 ASN CB C 72 39.896 39.896 42.054 -2.158 19617 2479 1 6 . 1 1 72 72 ASN H H 72 8.420 8.420 8.288 0.132 19617 2480 1 6 . 1 1 73 73 VAL N N 73 115.846 115.846 114.129 1.717 19617 2481 1 6 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.561 -0.034 19617 2482 1 6 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.922 -0.947 19617 2483 1 6 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.945 0.234 19617 2484 1 6 . 1 1 73 73 VAL H H 73 8.990 8.990 9.311 -0.321 19617 2485 1 6 . 1 1 74 74 LYS N N 74 123.195 123.195 124.719 -1.524 19617 2486 1 6 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.723 0.431 19617 2487 1 6 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.068 -0.187 19617 2488 1 6 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.786 -0.189 19617 2489 1 6 . 1 1 74 74 LYS H H 74 8.715 8.715 8.089 0.626 19617 2490 1 6 . 1 1 75 75 VAL N N 75 129.521 129.521 125.831 3.690 19617 2491 1 6 . 1 1 75 75 VAL HA H 75 4.543 4.543 5.109 -0.566 19617 2492 1 6 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.320 0.496 19617 2493 1 6 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.624 -1.141 19617 2494 1 6 . 1 1 75 75 VAL H H 75 8.975 8.975 8.558 0.417 19617 2495 1 6 . 1 1 76 76 THR N N 76 120.544 120.544 115.968 4.576 19617 2496 1 6 . 1 1 76 76 THR HA H 76 5.067 5.067 4.772 0.295 19617 2497 1 6 . 1 1 76 76 THR CA C 76 59.783 59.783 59.875 -0.092 19617 2498 1 6 . 1 1 76 76 THR CB C 76 70.733 70.733 71.546 -0.813 19617 2499 1 6 . 1 1 76 76 THR H H 76 8.650 8.650 9.239 -0.589 19617 2500 1 6 . 1 1 77 77 ALA N N 77 126.453 126.453 124.090 2.363 19617 2501 1 6 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.080 -0.700 19617 2502 1 6 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.618 -2.188 19617 2503 1 6 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.539 -0.995 19617 2504 1 6 . 1 1 77 77 ALA H H 77 8.674 8.674 8.534 0.140 19617 2505 1 6 . 1 1 78 78 SER N N 78 113.566 113.566 115.980 -2.414 19617 2506 1 6 . 1 1 78 78 SER HA H 78 5.377 5.377 5.185 0.192 19617 2507 1 6 . 1 1 78 78 SER CA C 78 56.077 56.077 56.617 -0.540 19617 2508 1 6 . 1 1 78 78 SER CB C 78 65.730 65.730 66.211 -0.481 19617 2509 1 6 . 1 1 78 78 SER H H 78 8.116 8.116 8.346 -0.230 19617 2510 1 6 . 1 1 79 79 ILE N N 79 121.070 121.070 125.027 -3.957 19617 2511 1 6 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.385 -0.237 19617 2512 1 6 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.038 1.086 19617 2513 1 6 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.208 -1.399 19617 2514 1 6 . 1 1 79 79 ILE H H 79 8.446 8.446 7.537 0.909 19617 2515 1 6 . 1 1 80 80 GLY N N 80 117.155 117.155 116.196 0.959 19617 2516 1 6 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.138 -0.132 19617 2517 1 6 . 1 1 80 80 GLY H H 80 8.899 8.899 8.441 0.458 19617 2518 1 6 . 1 1 81 81 GLY N N 81 110.715 110.715 111.692 -0.977 19617 2519 1 6 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.228 -0.850 19617 2520 1 6 . 1 1 81 81 GLY H H 81 8.742 8.742 8.044 0.698 19617 2521 1 6 . 1 1 82 82 ILE N N 82 124.113 124.113 121.954 2.159 19617 2522 1 6 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.112 0.090 19617 2523 1 6 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.930 -2.897 19617 2524 1 6 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.888 -2.111 19617 2525 1 6 . 1 1 82 82 ILE H H 82 8.188 8.188 7.897 0.291 19617 2526 1 6 . 1 1 83 83 GLN N N 83 122.453 122.453 124.138 -1.685 19617 2527 1 6 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.935 0.461 19617 2528 1 6 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.221 -1.201 19617 2529 1 6 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.200 0.315 19617 2530 1 6 . 1 1 83 83 GLN H H 83 8.423 8.423 8.173 0.250 19617 2531 1 6 . 1 1 84 84 GLY N N 84 111.436 111.436 108.068 3.368 19617 2532 1 6 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.972 -0.274 19617 2533 1 6 . 1 1 84 84 GLY H H 84 8.931 8.931 8.266 0.665 19617 2534 1 6 . 1 1 85 85 SER N N 85 113.877 113.877 113.828 0.049 19617 2535 1 6 . 1 1 85 85 SER HA H 85 5.843 5.843 4.662 1.181 19617 2536 1 6 . 1 1 85 85 SER CA C 85 56.264 56.264 57.139 -0.875 19617 2537 1 6 . 1 1 85 85 SER CB C 85 66.946 66.946 66.175 0.771 19617 2538 1 6 . 1 1 85 85 SER H H 85 8.710 8.710 8.229 0.481 19617 2539 1 6 . 1 1 86 86 THR N N 86 115.389 115.389 115.454 -0.065 19617 2540 1 6 . 1 1 86 86 THR HA H 86 4.772 4.772 4.576 0.196 19617 2541 1 6 . 1 1 86 86 THR CA C 86 60.313 60.313 60.451 -0.138 19617 2542 1 6 . 1 1 86 86 THR CB C 86 69.852 69.852 71.800 -1.948 19617 2543 1 6 . 1 1 86 86 THR H H 86 8.854 8.854 9.161 -0.307 19617 2544 1 6 . 1 1 87 87 ASP N N 87 124.622 124.622 124.575 0.047 19617 2545 1 6 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.891 0.547 19617 2546 1 6 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.568 0.228 19617 2547 1 6 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.799 -0.789 19617 2548 1 6 . 1 1 87 87 ASP H H 87 7.953 7.953 8.472 -0.519 19617 2549 1 6 . 1 1 88 88 PHE N N 88 123.577 123.577 124.211 -0.634 19617 2550 1 6 . 1 1 88 88 PHE HA H 88 4.933 4.933 4.996 -0.063 19617 2551 1 6 . 1 1 88 88 PHE CA C 88 56.968 56.968 57.113 -0.145 19617 2552 1 6 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.814 0.070 19617 2553 1 6 . 1 1 88 88 PHE H H 88 9.094 9.094 8.749 0.345 19617 2554 1 6 . 1 1 89 89 LYS N N 89 126.966 126.966 126.169 0.797 19617 2555 1 6 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.805 0.232 19617 2556 1 6 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.270 -1.381 19617 2557 1 6 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.617 -0.948 19617 2558 1 6 . 1 1 89 89 LYS H H 89 7.269 7.269 8.413 -1.144 19617 2559 1 6 . 1 1 90 90 VAL N N 90 126.146 126.146 127.803 -1.657 19617 2560 1 6 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.283 -0.275 19617 2561 1 6 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.590 -0.042 19617 2562 1 6 . 1 1 90 90 VAL CB C 90 30.948 30.948 35.041 -4.093 19617 2563 1 6 . 1 1 90 90 VAL H H 90 9.086 9.086 8.283 0.803 19617 2564 1 6 . 1 1 91 91 THR N N 91 120.506 120.506 120.145 0.361 19617 2565 1 6 . 1 1 91 91 THR HA H 91 4.568 4.568 4.778 -0.210 19617 2566 1 6 . 1 1 91 91 THR CA C 91 59.348 59.348 60.289 -0.941 19617 2567 1 6 . 1 1 91 91 THR CB C 91 68.970 68.970 71.240 -2.270 19617 2568 1 6 . 1 1 91 91 THR H H 91 8.757 8.757 8.089 0.668 19617 2569 1 7 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.513 -0.242 19617 2570 1 7 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.408 -2.187 19617 2571 1 7 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.354 -0.938 19617 2572 1 7 . 1 1 3 3 ALA N N 3 123.801 123.801 119.756 4.045 19617 2573 1 7 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.014 0.192 19617 2574 1 7 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.700 -1.306 19617 2575 1 7 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.062 0.778 19617 2576 1 7 . 1 1 3 3 ALA H H 3 8.647 8.647 8.489 0.158 19617 2577 1 7 . 1 1 4 4 ALA N N 4 124.058 124.058 120.899 3.159 19617 2578 1 7 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.259 0.420 19617 2579 1 7 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.758 -1.736 19617 2580 1 7 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.325 0.572 19617 2581 1 7 . 1 1 4 4 ALA H H 4 8.239 8.239 7.798 0.441 19617 2582 1 7 . 1 1 5 5 LEU N N 5 124.019 124.019 124.807 -0.788 19617 2583 1 7 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.345 -0.973 19617 2584 1 7 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.731 -1.723 19617 2585 1 7 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.887 -1.645 19617 2586 1 7 . 1 1 5 5 LEU H H 5 8.560 8.560 8.671 -0.111 19617 2587 1 7 . 1 1 6 6 VAL N N 6 123.358 123.358 119.703 3.655 19617 2588 1 7 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.499 -0.398 19617 2589 1 7 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.568 -0.228 19617 2590 1 7 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.416 -0.468 19617 2591 1 7 . 1 1 6 6 VAL H H 6 9.119 9.119 8.792 0.327 19617 2592 1 7 . 1 1 7 7 SER N N 7 112.139 112.139 111.128 1.011 19617 2593 1 7 . 1 1 7 7 SER HA H 7 4.445 4.445 4.692 -0.247 19617 2594 1 7 . 1 1 7 7 SER CA C 7 56.349 56.349 58.152 -1.803 19617 2595 1 7 . 1 1 7 7 SER CB C 7 64.361 64.361 64.747 -0.386 19617 2596 1 7 . 1 1 7 7 SER H H 7 7.680 7.680 7.485 0.195 19617 2597 1 7 . 1 1 8 8 ILE N N 8 118.677 118.677 119.060 -0.383 19617 2598 1 7 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.336 0.345 19617 2599 1 7 . 1 1 8 8 ILE CA C 8 59.146 59.146 58.719 0.427 19617 2600 1 7 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.100 0.574 19617 2601 1 7 . 1 1 8 8 ILE H H 8 8.354 8.354 8.638 -0.284 19617 2602 1 7 . 1 1 9 9 SER N N 9 121.319 121.319 119.416 1.903 19617 2603 1 7 . 1 1 9 9 SER HA H 9 4.859 4.859 4.679 0.180 19617 2604 1 7 . 1 1 9 9 SER CA C 9 55.381 55.381 56.766 -1.385 19617 2605 1 7 . 1 1 9 9 SER CB C 9 64.243 64.243 63.597 0.646 19617 2606 1 7 . 1 1 9 9 SER H H 9 9.028 9.028 8.608 0.420 19617 2607 1 7 . 1 1 10 10 VAL N N 10 127.508 127.508 126.081 1.427 19617 2608 1 7 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.722 0.329 19617 2609 1 7 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.782 1.129 19617 2610 1 7 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.511 -1.124 19617 2611 1 7 . 1 1 10 10 VAL H H 10 8.911 8.911 8.359 0.552 19617 2612 1 7 . 1 1 11 11 SER N N 11 121.861 121.861 124.765 -2.904 19617 2613 1 7 . 1 1 11 11 SER CB C 11 64.373 64.373 62.931 1.442 19617 2614 1 7 . 1 1 11 11 SER H H 11 9.205 9.205 8.259 0.946 19617 2615 1 7 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.339 0.371 19617 2616 1 7 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.331 -1.432 19617 2617 1 7 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.493 1.596 19617 2618 1 7 . 1 1 13 13 THR N N 13 116.138 116.138 114.279 1.859 19617 2619 1 7 . 1 1 13 13 THR HA H 13 4.766 4.766 4.652 0.114 19617 2620 1 7 . 1 1 13 13 THR CA C 13 60.153 60.153 60.866 -0.713 19617 2621 1 7 . 1 1 13 13 THR CB C 13 69.426 69.426 70.388 -0.962 19617 2622 1 7 . 1 1 13 13 THR H H 13 8.679 8.679 8.345 0.334 19617 2623 1 7 . 1 1 14 14 ASN N N 14 124.457 124.457 123.165 1.292 19617 2624 1 7 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.986 -0.289 19617 2625 1 7 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.409 0.719 19617 2626 1 7 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.161 -2.568 19617 2627 1 7 . 1 1 14 14 ASN H H 14 8.710 8.710 8.807 -0.097 19617 2628 1 7 . 1 1 15 15 SER N N 15 113.672 113.672 117.650 -3.978 19617 2629 1 7 . 1 1 15 15 SER HA H 15 4.651 4.651 4.626 0.025 19617 2630 1 7 . 1 1 15 15 SER CA C 15 55.644 55.644 58.134 -2.490 19617 2631 1 7 . 1 1 15 15 SER CB C 15 63.953 63.953 64.525 -0.572 19617 2632 1 7 . 1 1 15 15 SER H H 15 9.127 9.127 8.370 0.757 19617 2633 1 7 . 1 1 16 16 THR N N 16 113.578 113.578 115.801 -2.223 19617 2634 1 7 . 1 1 16 16 THR HA H 16 4.975 4.975 4.691 0.284 19617 2635 1 7 . 1 1 16 16 THR CA C 16 58.445 58.445 60.882 -2.437 19617 2636 1 7 . 1 1 16 16 THR CB C 16 70.534 70.534 69.634 0.900 19617 2637 1 7 . 1 1 16 16 THR H H 16 7.962 7.962 8.369 -0.407 19617 2638 1 7 . 1 1 17 17 VAL N N 17 121.480 121.480 125.922 -4.442 19617 2639 1 7 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.533 -0.211 19617 2640 1 7 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.453 -0.516 19617 2641 1 7 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.537 -1.133 19617 2642 1 7 . 1 1 17 17 VAL H H 17 7.969 7.969 8.390 -0.421 19617 2643 1 7 . 1 1 18 18 ALA N N 18 126.013 126.013 125.183 0.830 19617 2644 1 7 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.469 -0.294 19617 2645 1 7 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.911 -0.948 19617 2646 1 7 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.737 -0.815 19617 2647 1 7 . 1 1 18 18 ALA H H 18 7.756 7.756 8.344 -0.588 19617 2648 1 7 . 1 1 19 19 LYS N N 19 119.740 119.740 122.265 -2.525 19617 2649 1 7 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.139 -0.650 19617 2650 1 7 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.933 0.839 19617 2651 1 7 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.110 -0.508 19617 2652 1 7 . 1 1 19 19 LYS H H 19 7.892 7.892 8.326 -0.434 19617 2653 1 7 . 1 1 20 20 GLY N N 20 116.706 116.706 110.758 5.948 19617 2654 1 7 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.193 -1.430 19617 2655 1 7 . 1 1 20 20 GLY H H 20 8.615 8.615 8.658 -0.043 19617 2656 1 7 . 1 1 21 21 LEU N N 21 123.004 123.004 122.866 0.138 19617 2657 1 7 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.468 0.122 19617 2658 1 7 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.396 -1.031 19617 2659 1 7 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.341 -5.379 19617 2660 1 7 . 1 1 21 21 LEU H H 21 8.013 8.013 7.802 0.211 19617 2661 1 7 . 1 1 22 22 GLN N N 22 117.502 117.502 117.400 0.102 19617 2662 1 7 . 1 1 22 22 GLN HA H 22 5.126 5.126 4.987 0.139 19617 2663 1 7 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.781 -0.112 19617 2664 1 7 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.518 -0.604 19617 2665 1 7 . 1 1 22 22 GLN H H 22 8.223 8.223 8.259 -0.036 19617 2666 1 7 . 1 1 23 23 GLU N N 23 118.123 118.123 122.293 -4.170 19617 2667 1 7 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.589 -0.027 19617 2668 1 7 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.870 -2.003 19617 2669 1 7 . 1 1 23 23 GLU CB C 23 32.874 32.874 31.879 0.995 19617 2670 1 7 . 1 1 23 23 GLU H H 23 8.188 8.188 8.323 -0.135 19617 2671 1 7 . 1 1 24 24 ASN N N 24 125.843 125.843 121.798 4.045 19617 2672 1 7 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.051 -0.274 19617 2673 1 7 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.066 0.445 19617 2674 1 7 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.726 -0.980 19617 2675 1 7 . 1 1 24 24 ASN H H 24 9.391 9.391 8.457 0.934 19617 2676 1 7 . 1 1 25 25 PHE N N 25 122.822 122.822 119.443 3.379 19617 2677 1 7 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.710 -0.060 19617 2678 1 7 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.894 0.229 19617 2679 1 7 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.022 -3.963 19617 2680 1 7 . 1 1 25 25 PHE H H 25 8.059 8.059 8.438 -0.379 19617 2681 1 7 . 1 1 26 26 LYS N N 26 119.114 119.114 119.448 -0.334 19617 2682 1 7 . 1 1 26 26 LYS HA H 26 5.244 5.244 5.147 0.097 19617 2683 1 7 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.223 -2.247 19617 2684 1 7 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.730 -2.069 19617 2685 1 7 . 1 1 26 26 LYS H H 26 9.255 9.255 8.808 0.447 19617 2686 1 7 . 1 1 27 27 ALA N N 27 125.586 125.586 124.245 1.341 19617 2687 1 7 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.532 -0.269 19617 2688 1 7 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.866 -2.049 19617 2689 1 7 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.296 -0.136 19617 2690 1 7 . 1 1 27 27 ALA H H 27 9.119 9.119 8.285 0.834 19617 2691 1 7 . 1 1 28 28 THR N N 28 120.628 120.628 120.636 -0.008 19617 2692 1 7 . 1 1 28 28 THR HA H 28 4.843 4.843 4.513 0.330 19617 2693 1 7 . 1 1 28 28 THR CA C 28 60.566 60.566 61.111 -0.545 19617 2694 1 7 . 1 1 28 28 THR CB C 28 69.478 69.478 68.781 0.697 19617 2695 1 7 . 1 1 28 28 THR H H 28 9.061 9.061 8.799 0.262 19617 2696 1 7 . 1 1 29 29 GLY N N 29 115.787 115.787 113.318 2.469 19617 2697 1 7 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.059 0.257 19617 2698 1 7 . 1 1 29 29 GLY H H 29 9.663 9.663 8.398 1.265 19617 2699 1 7 . 1 1 30 30 ILE N N 30 123.084 123.084 120.800 2.284 19617 2700 1 7 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.380 0.401 19617 2701 1 7 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.979 -0.591 19617 2702 1 7 . 1 1 30 30 ILE CB C 30 36.883 36.883 38.975 -2.092 19617 2703 1 7 . 1 1 30 30 ILE H H 30 7.914 7.914 7.470 0.444 19617 2704 1 7 . 1 1 31 31 PHE N N 31 125.209 125.209 124.335 0.874 19617 2705 1 7 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.970 0.400 19617 2706 1 7 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.099 0.388 19617 2707 1 7 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.873 -0.720 19617 2708 1 7 . 1 1 31 31 PHE H H 31 8.316 8.316 8.349 -0.033 19617 2709 1 7 . 1 1 32 32 THR N N 32 113.843 113.843 117.090 -3.247 19617 2710 1 7 . 1 1 32 32 THR HA H 32 4.409 4.409 4.174 0.235 19617 2711 1 7 . 1 1 32 32 THR CA C 32 64.157 64.157 66.121 -1.964 19617 2712 1 7 . 1 1 32 32 THR CB C 32 68.540 68.540 68.733 -0.193 19617 2713 1 7 . 1 1 32 32 THR H H 32 9.335 9.335 8.575 0.760 19617 2714 1 7 . 1 1 33 33 ASP N N 33 118.799 118.799 117.486 1.313 19617 2715 1 7 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.651 -0.029 19617 2716 1 7 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.991 -2.028 19617 2717 1 7 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.252 -1.758 19617 2718 1 7 . 1 1 33 33 ASP H H 33 7.689 7.689 8.442 -0.753 19617 2719 1 7 . 1 1 34 34 ASN N N 34 112.999 112.999 113.948 -0.949 19617 2720 1 7 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.305 0.045 19617 2721 1 7 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.518 -0.172 19617 2722 1 7 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.126 -0.636 19617 2723 1 7 . 1 1 34 34 ASN H H 34 8.370 8.370 8.042 0.328 19617 2724 1 7 . 1 1 35 35 SER N N 35 115.544 115.544 114.720 0.824 19617 2725 1 7 . 1 1 35 35 SER HA H 35 4.410 4.410 4.668 -0.258 19617 2726 1 7 . 1 1 35 35 SER CA C 35 57.882 57.882 57.406 0.476 19617 2727 1 7 . 1 1 35 35 SER CB C 35 63.770 63.770 64.073 -0.303 19617 2728 1 7 . 1 1 35 35 SER H H 35 7.990 7.990 8.330 -0.340 19617 2729 1 7 . 1 1 36 36 ASN N N 36 116.055 116.055 123.620 -7.565 19617 2730 1 7 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.697 -2.023 19617 2731 1 7 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.639 2.160 19617 2732 1 7 . 1 1 36 36 ASN H H 36 8.518 8.518 8.518 -0.000 19617 2733 1 7 . 1 1 37 37 SER N N 37 113.193 113.193 117.375 -4.182 19617 2734 1 7 . 1 1 37 37 SER HA H 37 4.719 4.719 4.724 -0.005 19617 2735 1 7 . 1 1 37 37 SER CA C 37 56.801 56.801 57.240 -0.440 19617 2736 1 7 . 1 1 37 37 SER CB C 37 64.872 64.872 66.308 -1.437 19617 2737 1 7 . 1 1 37 37 SER H H 37 8.667 8.667 8.537 0.130 19617 2738 1 7 . 1 1 38 38 ASP N N 38 123.964 123.964 121.095 2.869 19617 2739 1 7 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.517 0.465 19617 2740 1 7 . 1 1 38 38 ASP CA C 38 54.201 54.201 54.365 -0.164 19617 2741 1 7 . 1 1 38 38 ASP CB C 38 39.929 39.929 39.846 0.083 19617 2742 1 7 . 1 1 38 38 ASP H H 38 8.849 8.849 8.514 0.335 19617 2743 1 7 . 1 1 39 39 ILE N N 39 121.214 121.214 115.862 5.352 19617 2744 1 7 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.809 1.067 19617 2745 1 7 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.846 -2.139 19617 2746 1 7 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.327 1.759 19617 2747 1 7 . 1 1 39 39 ILE H H 39 8.816 8.816 8.425 0.391 19617 2748 1 7 . 1 1 40 40 THR N N 40 122.861 122.861 115.791 7.070 19617 2749 1 7 . 1 1 40 40 THR HA H 40 4.289 4.289 4.035 0.254 19617 2750 1 7 . 1 1 40 40 THR CB C 40 68.527 68.527 68.750 -0.223 19617 2751 1 7 . 1 1 40 40 THR H H 40 8.679 8.679 7.920 0.759 19617 2752 1 7 . 1 1 41 41 ASP N N 41 114.076 114.076 119.620 -5.544 19617 2753 1 7 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.730 -1.033 19617 2754 1 7 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.059 -0.581 19617 2755 1 7 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.871 -2.153 19617 2756 1 7 . 1 1 41 41 ASP H H 41 8.539 8.539 8.240 0.299 19617 2757 1 7 . 1 1 42 42 GLN N N 42 117.086 117.086 117.027 0.059 19617 2758 1 7 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.981 0.165 19617 2759 1 7 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.237 -0.701 19617 2760 1 7 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.869 2.347 19617 2761 1 7 . 1 1 42 42 GLN H H 42 7.718 7.718 7.892 -0.174 19617 2762 1 7 . 1 1 43 43 VAL N N 43 109.916 109.916 124.696 -14.780 19617 2763 1 7 . 1 1 43 43 VAL HA H 43 4.091 4.091 4.374 -0.283 19617 2764 1 7 . 1 1 43 43 VAL CA C 43 58.840 58.840 60.245 -1.405 19617 2765 1 7 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.651 -2.377 19617 2766 1 7 . 1 1 43 43 VAL H H 43 6.902 6.902 8.306 -1.404 19617 2767 1 7 . 1 1 44 44 THR N N 44 116.270 116.270 125.783 -9.513 19617 2768 1 7 . 1 1 44 44 THR HA H 44 4.311 4.311 4.606 -0.295 19617 2769 1 7 . 1 1 44 44 THR CA C 44 61.651 61.651 62.301 -0.650 19617 2770 1 7 . 1 1 44 44 THR CB C 44 68.890 68.890 69.304 -0.414 19617 2771 1 7 . 1 1 44 44 THR H H 44 8.787 8.787 8.062 0.725 19617 2772 1 7 . 1 1 45 45 TRP N N 45 132.099 132.099 128.807 3.292 19617 2773 1 7 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.290 -0.044 19617 2774 1 7 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.185 -0.798 19617 2775 1 7 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.266 -1.189 19617 2776 1 7 . 1 1 45 45 TRP H H 45 10.351 10.351 8.785 1.566 19617 2777 1 7 . 1 1 46 46 ASP N N 46 121.897 121.897 125.323 -3.426 19617 2778 1 7 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.161 -0.302 19617 2779 1 7 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.477 -0.680 19617 2780 1 7 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.675 -0.600 19617 2781 1 7 . 1 1 46 46 ASP H H 46 9.471 9.471 8.304 1.167 19617 2782 1 7 . 1 1 47 47 SER N N 47 113.805 113.805 116.254 -2.449 19617 2783 1 7 . 1 1 47 47 SER HA H 47 5.044 5.044 4.768 0.276 19617 2784 1 7 . 1 1 47 47 SER CA C 47 53.059 53.059 56.408 -3.349 19617 2785 1 7 . 1 1 47 47 SER CB C 47 64.880 64.880 64.628 0.252 19617 2786 1 7 . 1 1 47 47 SER H H 47 8.502 8.502 8.473 0.029 19617 2787 1 7 . 1 1 48 48 SER N N 48 119.614 119.614 117.799 1.815 19617 2788 1 7 . 1 1 48 48 SER HA H 48 4.281 4.281 4.302 -0.021 19617 2789 1 7 . 1 1 48 48 SER CA C 48 59.404 59.404 59.532 -0.129 19617 2790 1 7 . 1 1 48 48 SER CB C 48 62.026 62.026 63.718 -1.692 19617 2791 1 7 . 1 1 48 48 SER H H 48 8.518 8.518 8.667 -0.149 19617 2792 1 7 . 1 1 49 49 ASN N N 49 118.260 118.260 122.658 -4.398 19617 2793 1 7 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.929 -0.034 19617 2794 1 7 . 1 1 49 49 ASN CA C 49 52.841 52.841 52.477 0.364 19617 2795 1 7 . 1 1 49 49 ASN CB C 49 37.720 37.720 37.432 0.288 19617 2796 1 7 . 1 1 49 49 ASN H H 49 7.816 7.816 8.823 -1.008 19617 2797 1 7 . 1 1 50 50 THR N N 50 119.289 119.289 115.401 3.888 19617 2798 1 7 . 1 1 50 50 THR HA H 50 4.567 4.567 4.404 0.163 19617 2799 1 7 . 1 1 50 50 THR CA C 50 62.137 62.137 63.290 -1.153 19617 2800 1 7 . 1 1 50 50 THR CB C 50 67.100 67.100 69.387 -2.287 19617 2801 1 7 . 1 1 50 50 THR H H 50 9.048 9.048 8.381 0.667 19617 2802 1 7 . 1 1 51 51 ASP N N 51 118.825 118.825 118.304 0.521 19617 2803 1 7 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.705 -0.128 19617 2804 1 7 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.829 -0.139 19617 2805 1 7 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.580 -2.922 19617 2806 1 7 . 1 1 51 51 ASP H H 51 8.251 8.251 8.516 -0.265 19617 2807 1 7 . 1 1 52 52 ILE N N 52 118.410 118.410 120.578 -2.168 19617 2808 1 7 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.314 -0.388 19617 2809 1 7 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.194 0.487 19617 2810 1 7 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.731 -0.835 19617 2811 1 7 . 1 1 52 52 ILE H H 52 7.169 7.169 7.550 -0.381 19617 2812 1 7 . 1 1 53 53 LEU N N 53 120.129 120.129 126.285 -6.156 19617 2813 1 7 . 1 1 53 53 LEU HA H 53 5.022 5.022 5.169 -0.147 19617 2814 1 7 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.843 -0.562 19617 2815 1 7 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.045 1.360 19617 2816 1 7 . 1 1 53 53 LEU H H 53 7.876 7.876 8.217 -0.341 19617 2817 1 7 . 1 1 54 54 SER N N 54 122.249 122.249 120.796 1.453 19617 2818 1 7 . 1 1 54 54 SER HA H 54 4.954 4.954 4.841 0.113 19617 2819 1 7 . 1 1 54 54 SER CA C 54 54.724 54.724 57.906 -3.182 19617 2820 1 7 . 1 1 54 54 SER CB C 54 64.417 64.417 65.415 -0.998 19617 2821 1 7 . 1 1 54 54 SER H H 54 8.650 8.650 8.858 -0.208 19617 2822 1 7 . 1 1 55 55 ILE N N 55 123.973 123.973 125.808 -1.835 19617 2823 1 7 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.751 0.151 19617 2824 1 7 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.430 -0.562 19617 2825 1 7 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.677 1.741 19617 2826 1 7 . 1 1 55 55 ILE H H 55 9.081 9.081 8.605 0.476 19617 2827 1 7 . 1 1 56 56 SER N N 56 119.541 119.541 123.118 -3.577 19617 2828 1 7 . 1 1 56 56 SER HA H 56 4.384 4.384 4.728 -0.344 19617 2829 1 7 . 1 1 56 56 SER CA C 56 56.626 56.626 57.650 -1.024 19617 2830 1 7 . 1 1 56 56 SER CB C 56 63.106 63.106 64.629 -1.523 19617 2831 1 7 . 1 1 56 56 SER H H 56 7.905 7.905 8.248 -0.343 19617 2832 1 7 . 1 1 57 57 ASN N N 57 124.208 124.208 124.367 -0.159 19617 2833 1 7 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.907 0.109 19617 2834 1 7 . 1 1 57 57 ASN CA C 57 52.469 52.469 54.081 -1.612 19617 2835 1 7 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.222 -0.133 19617 2836 1 7 . 1 1 57 57 ASN H H 57 8.945 8.945 8.761 0.184 19617 2837 1 7 . 1 1 58 58 ALA N N 58 124.301 124.301 128.113 -3.812 19617 2838 1 7 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.552 -0.418 19617 2839 1 7 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.479 -1.192 19617 2840 1 7 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.006 -0.652 19617 2841 1 7 . 1 1 58 58 ALA H H 58 8.150 8.150 8.326 -0.176 19617 2842 1 7 . 1 1 59 59 SER N N 59 113.293 113.293 115.896 -2.603 19617 2843 1 7 . 1 1 59 59 SER HA H 59 4.706 4.706 4.299 0.407 19617 2844 1 7 . 1 1 59 59 SER CA C 59 60.003 60.003 60.029 -0.027 19617 2845 1 7 . 1 1 59 59 SER CB C 59 62.574 62.574 63.488 -0.914 19617 2846 1 7 . 1 1 59 59 SER H H 59 8.377 8.377 8.438 -0.061 19617 2847 1 7 . 1 1 60 60 ASP N N 60 116.272 116.272 116.324 -0.052 19617 2848 1 7 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.780 -0.109 19617 2849 1 7 . 1 1 60 60 ASP CA C 60 52.759 52.759 52.933 -0.174 19617 2850 1 7 . 1 1 60 60 ASP CB C 60 39.712 39.712 43.594 -3.882 19617 2851 1 7 . 1 1 60 60 ASP H H 60 8.310 8.310 7.573 0.737 19617 2852 1 7 . 1 1 61 61 SER N N 61 112.651 112.651 112.552 0.099 19617 2853 1 7 . 1 1 61 61 SER HA H 61 4.630 4.630 4.447 0.183 19617 2854 1 7 . 1 1 61 61 SER CA C 61 56.180 56.180 58.730 -2.550 19617 2855 1 7 . 1 1 61 61 SER CB C 61 61.843 61.843 64.929 -3.086 19617 2856 1 7 . 1 1 61 61 SER H H 61 7.588 7.588 7.999 -0.411 19617 2857 1 7 . 1 1 62 62 HIS N N 62 119.790 119.790 121.832 -2.042 19617 2858 1 7 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.932 -0.886 19617 2859 1 7 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.136 0.782 19617 2860 1 7 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.553 -2.029 19617 2861 1 7 . 1 1 62 62 HIS H H 62 8.030 8.030 7.441 0.589 19617 2862 1 7 . 1 1 63 63 GLY N N 63 113.297 113.297 110.666 2.631 19617 2863 1 7 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.858 -0.205 19617 2864 1 7 . 1 1 63 63 GLY H H 63 8.733 8.733 8.528 0.205 19617 2865 1 7 . 1 1 64 64 LEU N N 64 120.663 120.663 122.819 -2.156 19617 2866 1 7 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.877 -0.491 19617 2867 1 7 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.629 1.264 19617 2868 1 7 . 1 1 64 64 LEU CB C 64 41.463 41.463 40.743 0.720 19617 2869 1 7 . 1 1 64 64 LEU H H 64 7.680 7.680 7.333 0.347 19617 2870 1 7 . 1 1 65 65 ALA N N 65 108.347 108.347 127.660 -19.313 19617 2871 1 7 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.770 0.632 19617 2872 1 7 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.238 -0.971 19617 2873 1 7 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.106 1.449 19617 2874 1 7 . 1 1 65 65 ALA H H 65 9.874 9.874 8.481 1.393 19617 2875 1 7 . 1 1 66 66 SER N N 66 115.950 115.950 120.786 -4.836 19617 2876 1 7 . 1 1 66 66 SER HA H 66 4.906 4.906 5.424 -0.518 19617 2877 1 7 . 1 1 66 66 SER CA C 66 56.645 56.645 56.459 0.186 19617 2878 1 7 . 1 1 66 66 SER CB C 66 63.823 63.823 65.537 -1.714 19617 2879 1 7 . 1 1 66 66 SER H H 66 8.938 8.938 8.810 0.128 19617 2880 1 7 . 1 1 67 67 THR N N 67 113.595 113.595 113.961 -0.366 19617 2881 1 7 . 1 1 67 67 THR HA H 67 4.649 4.649 5.107 -0.458 19617 2882 1 7 . 1 1 67 67 THR CA C 67 59.216 59.216 61.232 -2.016 19617 2883 1 7 . 1 1 67 67 THR CB C 67 69.006 69.006 72.660 -3.654 19617 2884 1 7 . 1 1 67 67 THR H H 67 8.257 8.257 8.451 -0.194 19617 2885 1 7 . 1 1 68 68 LEU N N 68 124.152 124.152 121.343 2.809 19617 2886 1 7 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.642 -0.280 19617 2887 1 7 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.597 -0.485 19617 2888 1 7 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.219 -0.304 19617 2889 1 7 . 1 1 68 68 LEU H H 68 8.616 8.616 8.270 0.346 19617 2890 1 7 . 1 1 69 69 ASN N N 69 115.820 115.820 116.656 -0.836 19617 2891 1 7 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.889 -0.229 19617 2892 1 7 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.123 0.333 19617 2893 1 7 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.483 1.823 19617 2894 1 7 . 1 1 69 69 ASN H H 69 7.965 7.965 8.041 -0.076 19617 2895 1 7 . 1 1 70 70 GLN N N 70 114.562 114.562 117.767 -3.205 19617 2896 1 7 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.380 -0.454 19617 2897 1 7 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.051 0.186 19617 2898 1 7 . 1 1 70 70 GLN CB C 70 29.006 29.006 30.059 -1.053 19617 2899 1 7 . 1 1 70 70 GLN H H 70 8.287 8.287 8.325 -0.038 19617 2900 1 7 . 1 1 71 71 GLY N N 71 108.005 108.005 114.211 -6.206 19617 2901 1 7 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.782 -1.096 19617 2902 1 7 . 1 1 71 71 GLY H H 71 8.520 8.520 8.184 0.336 19617 2903 1 7 . 1 1 72 72 ASN N N 72 117.787 117.787 121.426 -3.639 19617 2904 1 7 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.728 0.745 19617 2905 1 7 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.097 -0.406 19617 2906 1 7 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.609 -1.714 19617 2907 1 7 . 1 1 72 72 ASN H H 72 8.420 8.420 8.253 0.167 19617 2908 1 7 . 1 1 73 73 VAL N N 73 115.846 115.846 118.916 -3.070 19617 2909 1 7 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.387 0.140 19617 2910 1 7 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.153 -2.178 19617 2911 1 7 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.151 -0.972 19617 2912 1 7 . 1 1 73 73 VAL H H 73 8.990 8.990 8.725 0.265 19617 2913 1 7 . 1 1 74 74 LYS N N 74 123.195 123.195 126.720 -3.525 19617 2914 1 7 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.655 0.499 19617 2915 1 7 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.818 -0.937 19617 2916 1 7 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.098 -0.501 19617 2917 1 7 . 1 1 74 74 LYS H H 74 8.715 8.715 8.588 0.127 19617 2918 1 7 . 1 1 75 75 VAL N N 75 129.521 129.521 126.960 2.561 19617 2919 1 7 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.792 -0.249 19617 2920 1 7 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.326 -0.510 19617 2921 1 7 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.226 -0.743 19617 2922 1 7 . 1 1 75 75 VAL H H 75 8.975 8.975 8.577 0.398 19617 2923 1 7 . 1 1 76 76 THR N N 76 120.544 120.544 121.237 -0.693 19617 2924 1 7 . 1 1 76 76 THR HA H 76 5.067 5.067 4.613 0.454 19617 2925 1 7 . 1 1 76 76 THR CA C 76 59.783 59.783 61.109 -1.326 19617 2926 1 7 . 1 1 76 76 THR CB C 76 70.733 70.733 70.939 -0.205 19617 2927 1 7 . 1 1 76 76 THR H H 76 8.650 8.650 8.212 0.438 19617 2928 1 7 . 1 1 77 77 ALA N N 77 126.453 126.453 128.276 -1.823 19617 2929 1 7 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.217 -0.837 19617 2930 1 7 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.544 -2.114 19617 2931 1 7 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.238 -0.694 19617 2932 1 7 . 1 1 77 77 ALA H H 77 8.674 8.674 8.032 0.642 19617 2933 1 7 . 1 1 78 78 SER N N 78 113.566 113.566 116.490 -2.924 19617 2934 1 7 . 1 1 78 78 SER HA H 78 5.377 5.377 4.664 0.713 19617 2935 1 7 . 1 1 78 78 SER CA C 78 56.077 56.077 57.154 -1.077 19617 2936 1 7 . 1 1 78 78 SER CB C 78 65.730 65.730 65.894 -0.164 19617 2937 1 7 . 1 1 78 78 SER H H 78 8.116 8.116 8.325 -0.209 19617 2938 1 7 . 1 1 79 79 ILE N N 79 121.070 121.070 123.672 -2.602 19617 2939 1 7 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.406 -0.258 19617 2940 1 7 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.599 0.525 19617 2941 1 7 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.693 -1.884 19617 2942 1 7 . 1 1 79 79 ILE H H 79 8.446 8.446 7.630 0.816 19617 2943 1 7 . 1 1 80 80 GLY N N 80 117.155 117.155 115.321 1.834 19617 2944 1 7 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.497 -0.491 19617 2945 1 7 . 1 1 80 80 GLY H H 80 8.899 8.899 8.674 0.225 19617 2946 1 7 . 1 1 81 81 GLY N N 81 110.715 110.715 111.759 -1.044 19617 2947 1 7 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.244 -0.866 19617 2948 1 7 . 1 1 81 81 GLY H H 81 8.742 8.742 8.172 0.570 19617 2949 1 7 . 1 1 82 82 ILE N N 82 124.113 124.113 122.316 1.797 19617 2950 1 7 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.119 0.083 19617 2951 1 7 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.397 -1.364 19617 2952 1 7 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.486 -1.708 19617 2953 1 7 . 1 1 82 82 ILE H H 82 8.188 8.188 7.953 0.235 19617 2954 1 7 . 1 1 83 83 GLN N N 83 122.453 122.453 123.261 -0.808 19617 2955 1 7 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.977 0.419 19617 2956 1 7 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.979 -0.959 19617 2957 1 7 . 1 1 83 83 GLN CB C 83 32.515 32.515 31.950 0.565 19617 2958 1 7 . 1 1 83 83 GLN H H 83 8.423 8.423 8.344 0.079 19617 2959 1 7 . 1 1 84 84 GLY N N 84 111.436 111.436 107.935 3.501 19617 2960 1 7 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.306 -0.608 19617 2961 1 7 . 1 1 84 84 GLY H H 84 8.931 8.931 8.538 0.393 19617 2962 1 7 . 1 1 85 85 SER N N 85 113.877 113.877 116.956 -3.079 19617 2963 1 7 . 1 1 85 85 SER HA H 85 5.843 5.843 4.814 1.029 19617 2964 1 7 . 1 1 85 85 SER CA C 85 56.264 56.264 56.764 -0.500 19617 2965 1 7 . 1 1 85 85 SER CB C 85 66.946 66.946 66.028 0.918 19617 2966 1 7 . 1 1 85 85 SER H H 85 8.710 8.710 8.276 0.434 19617 2967 1 7 . 1 1 86 86 THR N N 86 115.389 115.389 113.535 1.854 19617 2968 1 7 . 1 1 86 86 THR HA H 86 4.772 4.772 4.845 -0.073 19617 2969 1 7 . 1 1 86 86 THR CA C 86 60.313 60.313 61.094 -0.781 19617 2970 1 7 . 1 1 86 86 THR CB C 86 69.852 69.852 71.177 -1.325 19617 2971 1 7 . 1 1 86 86 THR H H 86 8.854 8.854 8.439 0.415 19617 2972 1 7 . 1 1 87 87 ASP N N 87 124.622 124.622 125.046 -0.424 19617 2973 1 7 . 1 1 87 87 ASP HA H 87 5.438 5.438 5.018 0.420 19617 2974 1 7 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.523 0.273 19617 2975 1 7 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.449 -1.439 19617 2976 1 7 . 1 1 87 87 ASP H H 87 7.953 7.953 8.511 -0.558 19617 2977 1 7 . 1 1 88 88 PHE N N 88 123.577 123.577 128.226 -4.649 19617 2978 1 7 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.073 -0.140 19617 2979 1 7 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.910 1.058 19617 2980 1 7 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.115 0.769 19617 2981 1 7 . 1 1 88 88 PHE H H 88 9.094 9.094 8.558 0.536 19617 2982 1 7 . 1 1 89 89 LYS N N 89 126.966 126.966 129.240 -2.274 19617 2983 1 7 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.341 0.696 19617 2984 1 7 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.756 -0.867 19617 2985 1 7 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.222 -0.553 19617 2986 1 7 . 1 1 89 89 LYS H H 89 7.269 7.269 8.338 -1.069 19617 2987 1 7 . 1 1 90 90 VAL N N 90 126.146 126.146 127.228 -1.082 19617 2988 1 7 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.907 0.101 19617 2989 1 7 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.980 -0.433 19617 2990 1 7 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.965 -2.018 19617 2991 1 7 . 1 1 90 90 VAL H H 90 9.086 9.086 7.554 1.532 19617 2992 1 7 . 1 1 91 91 THR N N 91 120.506 120.506 118.929 1.577 19617 2993 1 7 . 1 1 91 91 THR HA H 91 4.568 4.568 4.617 -0.049 19617 2994 1 7 . 1 1 91 91 THR CA C 91 59.348 59.348 60.628 -1.280 19617 2995 1 7 . 1 1 91 91 THR CB C 91 68.970 68.970 71.196 -2.226 19617 2996 1 7 . 1 1 91 91 THR H H 91 8.757 8.757 8.255 0.502 19617 2997 1 8 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.519 -0.248 19617 2998 1 8 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.262 -2.041 19617 2999 1 8 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.376 -0.959 19617 3000 1 8 . 1 1 3 3 ALA N N 3 123.801 123.801 122.488 1.313 19617 3001 1 8 . 1 1 3 3 ALA HA H 3 4.206 4.206 3.973 0.233 19617 3002 1 8 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.677 -1.282 19617 3003 1 8 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.233 0.607 19617 3004 1 8 . 1 1 3 3 ALA H H 3 8.647 8.647 8.518 0.129 19617 3005 1 8 . 1 1 4 4 ALA N N 4 124.058 124.058 126.641 -2.583 19617 3006 1 8 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.744 -0.065 19617 3007 1 8 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.871 -0.849 19617 3008 1 8 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.216 -1.319 19617 3009 1 8 . 1 1 4 4 ALA H H 4 8.239 8.239 8.298 -0.059 19617 3010 1 8 . 1 1 5 5 LEU N N 5 124.019 124.019 123.172 0.847 19617 3011 1 8 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.175 -0.803 19617 3012 1 8 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.812 -0.804 19617 3013 1 8 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.284 -0.042 19617 3014 1 8 . 1 1 5 5 LEU H H 5 8.560 8.560 8.596 -0.036 19617 3015 1 8 . 1 1 6 6 VAL N N 6 123.358 123.358 124.762 -1.404 19617 3016 1 8 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.353 -0.252 19617 3017 1 8 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.112 -0.772 19617 3018 1 8 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.443 -0.494 19617 3019 1 8 . 1 1 6 6 VAL H H 6 9.119 9.119 8.783 0.336 19617 3020 1 8 . 1 1 7 7 SER N N 7 112.139 112.139 110.348 1.791 19617 3021 1 8 . 1 1 7 7 SER HA H 7 4.445 4.445 4.781 -0.336 19617 3022 1 8 . 1 1 7 7 SER CA C 7 56.349 56.349 58.716 -2.367 19617 3023 1 8 . 1 1 7 7 SER CB C 7 64.361 64.361 65.485 -1.124 19617 3024 1 8 . 1 1 7 7 SER H H 7 7.680 7.680 7.707 -0.027 19617 3025 1 8 . 1 1 8 8 ILE N N 8 118.677 118.677 119.738 -1.061 19617 3026 1 8 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.463 0.218 19617 3027 1 8 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.391 -1.244 19617 3028 1 8 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.139 -0.466 19617 3029 1 8 . 1 1 8 8 ILE H H 8 8.354 8.354 8.512 -0.158 19617 3030 1 8 . 1 1 9 9 SER N N 9 121.319 121.319 123.250 -1.931 19617 3031 1 8 . 1 1 9 9 SER HA H 9 4.859 4.859 4.879 -0.020 19617 3032 1 8 . 1 1 9 9 SER CA C 9 55.381 55.381 57.505 -2.124 19617 3033 1 8 . 1 1 9 9 SER CB C 9 64.243 64.243 64.162 0.081 19617 3034 1 8 . 1 1 9 9 SER H H 9 9.028 9.028 8.446 0.582 19617 3035 1 8 . 1 1 10 10 VAL N N 10 127.508 127.508 122.011 5.497 19617 3036 1 8 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.569 0.482 19617 3037 1 8 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.734 0.178 19617 3038 1 8 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.146 -0.759 19617 3039 1 8 . 1 1 10 10 VAL H H 10 8.911 8.911 8.465 0.446 19617 3040 1 8 . 1 1 11 11 SER N N 11 121.861 121.861 122.465 -0.604 19617 3041 1 8 . 1 1 11 11 SER CB C 11 64.373 64.373 63.193 1.180 19617 3042 1 8 . 1 1 11 11 SER H H 11 9.205 9.205 8.429 0.776 19617 3043 1 8 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.142 0.568 19617 3044 1 8 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.335 -1.436 19617 3045 1 8 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.174 1.915 19617 3046 1 8 . 1 1 13 13 THR N N 13 116.138 116.138 117.326 -1.188 19617 3047 1 8 . 1 1 13 13 THR HA H 13 4.766 4.766 4.378 0.388 19617 3048 1 8 . 1 1 13 13 THR CA C 13 60.153 60.153 61.292 -1.139 19617 3049 1 8 . 1 1 13 13 THR CB C 13 69.426 69.426 69.958 -0.532 19617 3050 1 8 . 1 1 13 13 THR H H 13 8.679 8.679 8.001 0.678 19617 3051 1 8 . 1 1 14 14 ASN N N 14 124.457 124.457 125.501 -1.044 19617 3052 1 8 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.294 -0.597 19617 3053 1 8 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.287 0.841 19617 3054 1 8 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.092 -2.499 19617 3055 1 8 . 1 1 14 14 ASN H H 14 8.710 8.710 8.814 -0.104 19617 3056 1 8 . 1 1 15 15 SER N N 15 113.672 113.672 117.170 -3.498 19617 3057 1 8 . 1 1 15 15 SER HA H 15 4.651 4.651 4.578 0.073 19617 3058 1 8 . 1 1 15 15 SER CA C 15 55.644 55.644 57.245 -1.601 19617 3059 1 8 . 1 1 15 15 SER CB C 15 63.953 63.953 65.068 -1.115 19617 3060 1 8 . 1 1 15 15 SER H H 15 9.127 9.127 8.306 0.821 19617 3061 1 8 . 1 1 16 16 THR N N 16 113.578 113.578 116.058 -2.480 19617 3062 1 8 . 1 1 16 16 THR HA H 16 4.975 4.975 4.663 0.312 19617 3063 1 8 . 1 1 16 16 THR CA C 16 58.445 58.445 60.063 -1.618 19617 3064 1 8 . 1 1 16 16 THR CB C 16 70.534 70.534 69.646 0.888 19617 3065 1 8 . 1 1 16 16 THR H H 16 7.962 7.962 8.114 -0.152 19617 3066 1 8 . 1 1 17 17 VAL N N 17 121.480 121.480 121.223 0.257 19617 3067 1 8 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.668 -0.346 19617 3068 1 8 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.237 0.700 19617 3069 1 8 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.615 -0.211 19617 3070 1 8 . 1 1 17 17 VAL H H 17 7.969 7.969 8.804 -0.835 19617 3071 1 8 . 1 1 18 18 ALA N N 18 126.013 126.013 126.244 -0.231 19617 3072 1 8 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.254 -0.079 19617 3073 1 8 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.854 -0.891 19617 3074 1 8 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.562 -0.640 19617 3075 1 8 . 1 1 18 18 ALA H H 18 7.756 7.756 8.422 -0.666 19617 3076 1 8 . 1 1 19 19 LYS N N 19 119.740 119.740 121.404 -1.664 19617 3077 1 8 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.994 -0.505 19617 3078 1 8 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.926 0.846 19617 3079 1 8 . 1 1 19 19 LYS CB C 19 31.602 31.602 31.919 -0.317 19617 3080 1 8 . 1 1 19 19 LYS H H 19 7.892 7.892 8.411 -0.519 19617 3081 1 8 . 1 1 20 20 GLY N N 20 116.706 116.706 112.123 4.583 19617 3082 1 8 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.883 -2.120 19617 3083 1 8 . 1 1 20 20 GLY H H 20 8.615 8.615 8.366 0.249 19617 3084 1 8 . 1 1 21 21 LEU N N 21 123.004 123.004 123.389 -0.385 19617 3085 1 8 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.720 -0.130 19617 3086 1 8 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.198 0.167 19617 3087 1 8 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.935 -4.973 19617 3088 1 8 . 1 1 21 21 LEU H H 21 8.013 8.013 7.619 0.394 19617 3089 1 8 . 1 1 22 22 GLN N N 22 117.502 117.502 117.070 0.432 19617 3090 1 8 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.157 -0.031 19617 3091 1 8 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.862 -1.193 19617 3092 1 8 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.787 -0.873 19617 3093 1 8 . 1 1 22 22 GLN H H 22 8.223 8.223 8.267 -0.044 19617 3094 1 8 . 1 1 23 23 GLU N N 23 118.123 118.123 123.538 -5.415 19617 3095 1 8 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.802 -0.240 19617 3096 1 8 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.812 -1.945 19617 3097 1 8 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.777 -0.903 19617 3098 1 8 . 1 1 23 23 GLU H H 23 8.188 8.188 8.948 -0.760 19617 3099 1 8 . 1 1 24 24 ASN N N 24 125.843 125.843 120.829 5.014 19617 3100 1 8 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.465 -0.688 19617 3101 1 8 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.270 0.241 19617 3102 1 8 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.222 -0.476 19617 3103 1 8 . 1 1 24 24 ASN H H 24 9.391 9.391 8.657 0.734 19617 3104 1 8 . 1 1 25 25 PHE N N 25 122.822 122.822 120.340 2.482 19617 3105 1 8 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.730 -0.080 19617 3106 1 8 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.114 0.009 19617 3107 1 8 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.274 -3.215 19617 3108 1 8 . 1 1 25 25 PHE H H 25 8.059 8.059 8.218 -0.159 19617 3109 1 8 . 1 1 26 26 LYS N N 26 119.114 119.114 120.763 -1.649 19617 3110 1 8 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.775 0.469 19617 3111 1 8 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.638 -2.662 19617 3112 1 8 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.951 -0.290 19617 3113 1 8 . 1 1 26 26 LYS H H 26 9.255 9.255 8.784 0.471 19617 3114 1 8 . 1 1 27 27 ALA N N 27 125.586 125.586 127.718 -2.132 19617 3115 1 8 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.365 -0.102 19617 3116 1 8 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.264 -2.447 19617 3117 1 8 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.390 -1.230 19617 3118 1 8 . 1 1 27 27 ALA H H 27 9.119 9.119 8.817 0.302 19617 3119 1 8 . 1 1 28 28 THR N N 28 120.628 120.628 116.801 3.827 19617 3120 1 8 . 1 1 28 28 THR HA H 28 4.843 4.843 4.623 0.220 19617 3121 1 8 . 1 1 28 28 THR CA C 28 60.566 60.566 61.128 -0.562 19617 3122 1 8 . 1 1 28 28 THR CB C 28 69.478 69.478 69.498 -0.020 19617 3123 1 8 . 1 1 28 28 THR H H 28 9.061 9.061 8.487 0.574 19617 3124 1 8 . 1 1 29 29 GLY N N 29 115.787 115.787 112.300 3.487 19617 3125 1 8 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.502 0.814 19617 3126 1 8 . 1 1 29 29 GLY H H 29 9.663 9.663 8.579 1.084 19617 3127 1 8 . 1 1 30 30 ILE N N 30 123.084 123.084 124.168 -1.084 19617 3128 1 8 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.234 0.547 19617 3129 1 8 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.082 -0.694 19617 3130 1 8 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.739 -2.856 19617 3131 1 8 . 1 1 30 30 ILE H H 30 7.914 7.914 8.121 -0.207 19617 3132 1 8 . 1 1 31 31 PHE N N 31 125.209 125.209 124.904 0.305 19617 3133 1 8 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.055 0.315 19617 3134 1 8 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.327 1.160 19617 3135 1 8 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.268 -1.115 19617 3136 1 8 . 1 1 31 31 PHE H H 31 8.316 8.316 8.406 -0.090 19617 3137 1 8 . 1 1 32 32 THR N N 32 113.843 113.843 116.569 -2.726 19617 3138 1 8 . 1 1 32 32 THR HA H 32 4.409 4.409 4.165 0.244 19617 3139 1 8 . 1 1 32 32 THR CA C 32 64.157 64.157 64.612 -0.455 19617 3140 1 8 . 1 1 32 32 THR CB C 32 68.540 68.540 68.406 0.133 19617 3141 1 8 . 1 1 32 32 THR H H 32 9.335 9.335 8.812 0.523 19617 3142 1 8 . 1 1 33 33 ASP N N 33 118.799 118.799 119.347 -0.548 19617 3143 1 8 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.546 0.076 19617 3144 1 8 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.059 -2.096 19617 3145 1 8 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.904 -1.410 19617 3146 1 8 . 1 1 33 33 ASP H H 33 7.689 7.689 8.343 -0.654 19617 3147 1 8 . 1 1 34 34 ASN N N 34 112.999 112.999 114.559 -1.560 19617 3148 1 8 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.318 0.032 19617 3149 1 8 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.629 -0.283 19617 3150 1 8 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.214 -0.724 19617 3151 1 8 . 1 1 34 34 ASN H H 34 8.370 8.370 8.101 0.269 19617 3152 1 8 . 1 1 35 35 SER N N 35 115.544 115.544 112.888 2.656 19617 3153 1 8 . 1 1 35 35 SER HA H 35 4.410 4.410 4.671 -0.261 19617 3154 1 8 . 1 1 35 35 SER CA C 35 57.882 57.882 57.322 0.560 19617 3155 1 8 . 1 1 35 35 SER CB C 35 63.770 63.770 63.974 -0.204 19617 3156 1 8 . 1 1 35 35 SER H H 35 7.990 7.990 8.620 -0.630 19617 3157 1 8 . 1 1 36 36 ASN N N 36 116.055 116.055 118.730 -2.675 19617 3158 1 8 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.819 -2.145 19617 3159 1 8 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.578 2.221 19617 3160 1 8 . 1 1 36 36 ASN H H 36 8.518 8.518 8.149 0.369 19617 3161 1 8 . 1 1 37 37 SER N N 37 113.193 113.193 115.900 -2.707 19617 3162 1 8 . 1 1 37 37 SER HA H 37 4.719 4.719 4.673 0.046 19617 3163 1 8 . 1 1 37 37 SER CA C 37 56.801 56.801 57.522 -0.721 19617 3164 1 8 . 1 1 37 37 SER CB C 37 64.872 64.872 65.744 -0.872 19617 3165 1 8 . 1 1 37 37 SER H H 37 8.667 8.667 8.566 0.102 19617 3166 1 8 . 1 1 38 38 ASP N N 38 123.964 123.964 122.746 1.218 19617 3167 1 8 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.889 0.093 19617 3168 1 8 . 1 1 38 38 ASP CA C 38 54.201 54.201 54.093 0.109 19617 3169 1 8 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.096 -1.167 19617 3170 1 8 . 1 1 38 38 ASP H H 38 8.849 8.849 8.855 -0.006 19617 3171 1 8 . 1 1 39 39 ILE N N 39 121.214 121.214 119.757 1.457 19617 3172 1 8 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.766 1.110 19617 3173 1 8 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.323 -2.616 19617 3174 1 8 . 1 1 39 39 ILE CB C 39 37.086 37.086 36.236 0.850 19617 3175 1 8 . 1 1 39 39 ILE H H 39 8.816 8.816 8.987 -0.171 19617 3176 1 8 . 1 1 40 40 THR N N 40 122.861 122.861 115.868 6.993 19617 3177 1 8 . 1 1 40 40 THR HA H 40 4.289 4.289 4.137 0.152 19617 3178 1 8 . 1 1 40 40 THR CB C 40 68.527 68.527 68.834 -0.307 19617 3179 1 8 . 1 1 40 40 THR H H 40 8.679 8.679 8.085 0.594 19617 3180 1 8 . 1 1 41 41 ASP N N 41 114.076 114.076 118.898 -4.822 19617 3181 1 8 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.789 -1.092 19617 3182 1 8 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.939 -0.461 19617 3183 1 8 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.060 -2.342 19617 3184 1 8 . 1 1 41 41 ASP H H 41 8.539 8.539 8.235 0.304 19617 3185 1 8 . 1 1 42 42 GLN N N 42 117.086 117.086 118.029 -0.943 19617 3186 1 8 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.958 0.188 19617 3187 1 8 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.711 -0.174 19617 3188 1 8 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.495 2.721 19617 3189 1 8 . 1 1 42 42 GLN H H 42 7.718 7.718 7.484 0.234 19617 3190 1 8 . 1 1 43 43 VAL N N 43 109.916 109.916 120.416 -10.500 19617 3191 1 8 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.899 0.192 19617 3192 1 8 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.901 -5.061 19617 3193 1 8 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.033 -0.760 19617 3194 1 8 . 1 1 43 43 VAL H H 43 6.902 6.902 8.077 -1.175 19617 3195 1 8 . 1 1 44 44 THR N N 44 116.270 116.270 122.537 -6.267 19617 3196 1 8 . 1 1 44 44 THR HA H 44 4.311 4.311 4.238 0.073 19617 3197 1 8 . 1 1 44 44 THR CA C 44 61.651 61.651 62.554 -0.903 19617 3198 1 8 . 1 1 44 44 THR CB C 44 68.890 68.890 68.495 0.395 19617 3199 1 8 . 1 1 44 44 THR H H 44 8.787 8.787 8.065 0.722 19617 3200 1 8 . 1 1 45 45 TRP N N 45 132.099 132.099 125.406 6.693 19617 3201 1 8 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.720 -0.474 19617 3202 1 8 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.373 1.014 19617 3203 1 8 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.309 -1.232 19617 3204 1 8 . 1 1 45 45 TRP H H 45 10.351 10.351 7.739 2.612 19617 3205 1 8 . 1 1 46 46 ASP N N 46 121.897 121.897 120.448 1.449 19617 3206 1 8 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.139 -0.280 19617 3207 1 8 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.426 -1.629 19617 3208 1 8 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.726 -0.651 19617 3209 1 8 . 1 1 46 46 ASP H H 46 9.471 9.471 8.368 1.103 19617 3210 1 8 . 1 1 47 47 SER N N 47 113.805 113.805 116.613 -2.808 19617 3211 1 8 . 1 1 47 47 SER HA H 47 5.044 5.044 5.079 -0.035 19617 3212 1 8 . 1 1 47 47 SER CA C 47 53.059 53.059 56.467 -3.408 19617 3213 1 8 . 1 1 47 47 SER CB C 47 64.880 64.880 65.310 -0.430 19617 3214 1 8 . 1 1 47 47 SER H H 47 8.502 8.502 8.543 -0.041 19617 3215 1 8 . 1 1 48 48 SER N N 48 119.614 119.614 117.767 1.847 19617 3216 1 8 . 1 1 48 48 SER HA H 48 4.281 4.281 4.447 -0.166 19617 3217 1 8 . 1 1 48 48 SER CA C 48 59.404 59.404 59.715 -0.311 19617 3218 1 8 . 1 1 48 48 SER CB C 48 62.026 62.026 63.829 -1.803 19617 3219 1 8 . 1 1 48 48 SER H H 48 8.518 8.518 8.501 0.017 19617 3220 1 8 . 1 1 49 49 ASN N N 49 118.260 118.260 118.210 0.050 19617 3221 1 8 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.955 -0.060 19617 3222 1 8 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.013 -0.172 19617 3223 1 8 . 1 1 49 49 ASN CB C 49 37.720 37.720 39.214 -1.494 19617 3224 1 8 . 1 1 49 49 ASN H H 49 7.816 7.816 8.589 -0.773 19617 3225 1 8 . 1 1 50 50 THR N N 50 119.289 119.289 114.995 4.294 19617 3226 1 8 . 1 1 50 50 THR HA H 50 4.567 4.567 4.261 0.306 19617 3227 1 8 . 1 1 50 50 THR CA C 50 62.137 62.137 64.605 -2.468 19617 3228 1 8 . 1 1 50 50 THR CB C 50 67.100 67.100 69.103 -2.003 19617 3229 1 8 . 1 1 50 50 THR H H 50 9.048 9.048 8.091 0.957 19617 3230 1 8 . 1 1 51 51 ASP N N 51 118.825 118.825 119.130 -0.305 19617 3231 1 8 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.733 -0.156 19617 3232 1 8 . 1 1 51 51 ASP CA C 51 54.690 54.690 53.932 0.758 19617 3233 1 8 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.415 -2.757 19617 3234 1 8 . 1 1 51 51 ASP H H 51 8.251 8.251 8.110 0.141 19617 3235 1 8 . 1 1 52 52 ILE N N 52 118.410 118.410 120.781 -2.371 19617 3236 1 8 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.309 -0.383 19617 3237 1 8 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.973 0.708 19617 3238 1 8 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.388 0.508 19617 3239 1 8 . 1 1 52 52 ILE H H 52 7.169 7.169 7.693 -0.524 19617 3240 1 8 . 1 1 53 53 LEU N N 53 120.129 120.129 128.790 -8.661 19617 3241 1 8 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.765 0.257 19617 3242 1 8 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.811 -0.530 19617 3243 1 8 . 1 1 53 53 LEU CB C 53 46.405 46.405 43.785 2.620 19617 3244 1 8 . 1 1 53 53 LEU H H 53 7.876 7.876 8.425 -0.549 19617 3245 1 8 . 1 1 54 54 SER N N 54 122.249 122.249 120.103 2.146 19617 3246 1 8 . 1 1 54 54 SER HA H 54 4.954 4.954 4.741 0.213 19617 3247 1 8 . 1 1 54 54 SER CA C 54 54.724 54.724 57.767 -3.043 19617 3248 1 8 . 1 1 54 54 SER CB C 54 64.417 64.417 64.966 -0.549 19617 3249 1 8 . 1 1 54 54 SER H H 54 8.650 8.650 8.627 0.023 19617 3250 1 8 . 1 1 55 55 ILE N N 55 123.973 123.973 122.337 1.636 19617 3251 1 8 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.126 0.776 19617 3252 1 8 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.083 -0.215 19617 3253 1 8 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.588 1.830 19617 3254 1 8 . 1 1 55 55 ILE H H 55 9.081 9.081 8.123 0.958 19617 3255 1 8 . 1 1 56 56 SER N N 56 119.541 119.541 121.335 -1.794 19617 3256 1 8 . 1 1 56 56 SER HA H 56 4.384 4.384 3.929 0.455 19617 3257 1 8 . 1 1 56 56 SER CA C 56 56.626 56.626 56.532 0.094 19617 3258 1 8 . 1 1 56 56 SER CB C 56 63.106 63.106 66.327 -3.221 19617 3259 1 8 . 1 1 56 56 SER H H 56 7.905 7.905 8.172 -0.267 19617 3260 1 8 . 1 1 57 57 ASN N N 57 124.208 124.208 123.768 0.440 19617 3261 1 8 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.646 0.370 19617 3262 1 8 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.398 1.071 19617 3263 1 8 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.248 1.842 19617 3264 1 8 . 1 1 57 57 ASN H H 57 8.945 8.945 8.423 0.522 19617 3265 1 8 . 1 1 58 58 ALA N N 58 124.301 124.301 125.175 -0.874 19617 3266 1 8 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.168 -0.034 19617 3267 1 8 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.559 -1.272 19617 3268 1 8 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.408 -1.054 19617 3269 1 8 . 1 1 58 58 ALA H H 58 8.150 8.150 7.957 0.193 19617 3270 1 8 . 1 1 59 59 SER N N 59 113.293 113.293 115.523 -2.230 19617 3271 1 8 . 1 1 59 59 SER HA H 59 4.706 4.706 4.262 0.444 19617 3272 1 8 . 1 1 59 59 SER CA C 59 60.003 60.003 58.967 1.036 19617 3273 1 8 . 1 1 59 59 SER CB C 59 62.574 62.574 63.880 -1.306 19617 3274 1 8 . 1 1 59 59 SER H H 59 8.377 8.377 8.514 -0.137 19617 3275 1 8 . 1 1 60 60 ASP N N 60 116.272 116.272 121.169 -4.897 19617 3276 1 8 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.486 0.185 19617 3277 1 8 . 1 1 60 60 ASP CA C 60 52.759 52.759 56.723 -3.964 19617 3278 1 8 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.046 -1.334 19617 3279 1 8 . 1 1 60 60 ASP H H 60 8.310 8.310 8.684 -0.374 19617 3280 1 8 . 1 1 61 61 SER N N 61 112.651 112.651 109.182 3.469 19617 3281 1 8 . 1 1 61 61 SER HA H 61 4.630 4.630 4.616 0.014 19617 3282 1 8 . 1 1 61 61 SER CA C 61 56.180 56.180 58.287 -2.107 19617 3283 1 8 . 1 1 61 61 SER CB C 61 61.843 61.843 63.667 -1.824 19617 3284 1 8 . 1 1 61 61 SER H H 61 7.588 7.588 7.753 -0.165 19617 3285 1 8 . 1 1 62 62 HIS N N 62 119.790 119.790 122.309 -2.519 19617 3286 1 8 . 1 1 62 62 HIS HA H 62 4.046 4.046 5.126 -1.080 19617 3287 1 8 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.594 1.325 19617 3288 1 8 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.887 -3.363 19617 3289 1 8 . 1 1 62 62 HIS H H 62 8.030 8.030 8.241 -0.211 19617 3290 1 8 . 1 1 63 63 GLY N N 63 113.297 113.297 106.631 6.666 19617 3291 1 8 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.814 -0.161 19617 3292 1 8 . 1 1 63 63 GLY H H 63 8.733 8.733 8.230 0.503 19617 3293 1 8 . 1 1 64 64 LEU N N 64 120.663 120.663 113.994 6.669 19617 3294 1 8 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.394 -1.008 19617 3295 1 8 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.157 0.736 19617 3296 1 8 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.594 -2.131 19617 3297 1 8 . 1 1 64 64 LEU H H 64 7.680 7.680 8.440 -0.760 19617 3298 1 8 . 1 1 65 65 ALA N N 65 108.347 108.347 125.870 -17.523 19617 3299 1 8 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.490 0.912 19617 3300 1 8 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.354 -1.087 19617 3301 1 8 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.942 0.613 19617 3302 1 8 . 1 1 65 65 ALA H H 65 9.874 9.874 8.844 1.030 19617 3303 1 8 . 1 1 66 66 SER N N 66 115.950 115.950 118.214 -2.264 19617 3304 1 8 . 1 1 66 66 SER HA H 66 4.906 4.906 5.248 -0.343 19617 3305 1 8 . 1 1 66 66 SER CA C 66 56.645 56.645 56.500 0.145 19617 3306 1 8 . 1 1 66 66 SER CB C 66 63.823 63.823 64.670 -0.847 19617 3307 1 8 . 1 1 66 66 SER H H 66 8.938 8.938 8.543 0.395 19617 3308 1 8 . 1 1 67 67 THR N N 67 113.595 113.595 117.320 -3.725 19617 3309 1 8 . 1 1 67 67 THR HA H 67 4.649 4.649 4.673 -0.024 19617 3310 1 8 . 1 1 67 67 THR CA C 67 59.216 59.216 60.894 -1.678 19617 3311 1 8 . 1 1 67 67 THR CB C 67 69.006 69.006 71.861 -2.855 19617 3312 1 8 . 1 1 67 67 THR H H 67 8.257 8.257 8.206 0.051 19617 3313 1 8 . 1 1 68 68 LEU N N 68 124.152 124.152 124.848 -0.696 19617 3314 1 8 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.824 -0.462 19617 3315 1 8 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.393 -0.281 19617 3316 1 8 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.639 -0.724 19617 3317 1 8 . 1 1 68 68 LEU H H 68 8.616 8.616 8.166 0.450 19617 3318 1 8 . 1 1 69 69 ASN N N 69 115.820 115.820 119.332 -3.512 19617 3319 1 8 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.923 -0.263 19617 3320 1 8 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.485 -0.029 19617 3321 1 8 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.252 1.054 19617 3322 1 8 . 1 1 69 69 ASN H H 69 7.965 7.965 7.810 0.155 19617 3323 1 8 . 1 1 70 70 GLN N N 70 114.562 114.562 121.030 -6.468 19617 3324 1 8 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.571 -0.645 19617 3325 1 8 . 1 1 70 70 GLN CA C 70 55.237 55.237 56.485 -1.248 19617 3326 1 8 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.010 0.996 19617 3327 1 8 . 1 1 70 70 GLN H H 70 8.287 8.287 8.907 -0.620 19617 3328 1 8 . 1 1 71 71 GLY N N 71 108.005 108.005 110.042 -2.037 19617 3329 1 8 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.900 -2.213 19617 3330 1 8 . 1 1 71 71 GLY H H 71 8.520 8.520 8.185 0.335 19617 3331 1 8 . 1 1 72 72 ASN N N 72 117.787 117.787 119.883 -2.096 19617 3332 1 8 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.967 0.506 19617 3333 1 8 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.279 -0.588 19617 3334 1 8 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.959 -2.063 19617 3335 1 8 . 1 1 72 72 ASN H H 72 8.420 8.420 8.331 0.089 19617 3336 1 8 . 1 1 73 73 VAL N N 73 115.846 115.846 118.383 -2.537 19617 3337 1 8 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.374 0.153 19617 3338 1 8 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.794 -1.819 19617 3339 1 8 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.046 -0.867 19617 3340 1 8 . 1 1 73 73 VAL H H 73 8.990 8.990 8.760 0.230 19617 3341 1 8 . 1 1 74 74 LYS N N 74 123.195 123.195 126.931 -3.736 19617 3342 1 8 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.672 0.482 19617 3343 1 8 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.221 -1.340 19617 3344 1 8 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.220 0.377 19617 3345 1 8 . 1 1 74 74 LYS H H 74 8.715 8.715 8.661 0.054 19617 3346 1 8 . 1 1 75 75 VAL N N 75 129.521 129.521 128.464 1.057 19617 3347 1 8 . 1 1 75 75 VAL HA H 75 4.543 4.543 5.377 -0.834 19617 3348 1 8 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.261 0.555 19617 3349 1 8 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.066 -1.583 19617 3350 1 8 . 1 1 75 75 VAL H H 75 8.975 8.975 8.469 0.506 19617 3351 1 8 . 1 1 76 76 THR N N 76 120.544 120.544 116.040 4.504 19617 3352 1 8 . 1 1 76 76 THR HA H 76 5.067 5.067 4.897 0.170 19617 3353 1 8 . 1 1 76 76 THR CA C 76 59.783 59.783 60.184 -0.401 19617 3354 1 8 . 1 1 76 76 THR CB C 76 70.733 70.733 71.309 -0.576 19617 3355 1 8 . 1 1 76 76 THR H H 76 8.650 8.650 8.376 0.274 19617 3356 1 8 . 1 1 77 77 ALA N N 77 126.453 126.453 127.017 -0.564 19617 3357 1 8 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.753 -1.373 19617 3358 1 8 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.135 -2.705 19617 3359 1 8 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.711 -2.167 19617 3360 1 8 . 1 1 77 77 ALA H H 77 8.674 8.674 8.118 0.556 19617 3361 1 8 . 1 1 78 78 SER N N 78 113.566 113.566 117.019 -3.453 19617 3362 1 8 . 1 1 78 78 SER HA H 78 5.377 5.377 4.877 0.500 19617 3363 1 8 . 1 1 78 78 SER CA C 78 56.077 56.077 57.775 -1.698 19617 3364 1 8 . 1 1 78 78 SER CB C 78 65.730 65.730 66.101 -0.371 19617 3365 1 8 . 1 1 78 78 SER H H 78 8.116 8.116 8.357 -0.241 19617 3366 1 8 . 1 1 79 79 ILE N N 79 121.070 121.070 122.938 -1.868 19617 3367 1 8 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.488 -0.340 19617 3368 1 8 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.780 0.344 19617 3369 1 8 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.283 -2.474 19617 3370 1 8 . 1 1 79 79 ILE H H 79 8.446 8.446 7.901 0.545 19617 3371 1 8 . 1 1 80 80 GLY N N 80 117.155 117.155 114.974 2.181 19617 3372 1 8 . 1 1 80 80 GLY CA C 80 46.006 46.006 45.832 0.174 19617 3373 1 8 . 1 1 80 80 GLY H H 80 8.899 8.899 8.628 0.271 19617 3374 1 8 . 1 1 81 81 GLY N N 81 110.715 110.715 109.916 0.799 19617 3375 1 8 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.582 -0.204 19617 3376 1 8 . 1 1 81 81 GLY H H 81 8.742 8.742 8.546 0.196 19617 3377 1 8 . 1 1 82 82 ILE N N 82 124.113 124.113 120.259 3.854 19617 3378 1 8 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.268 -0.066 19617 3379 1 8 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.002 -1.968 19617 3380 1 8 . 1 1 82 82 ILE CB C 82 36.777 36.777 42.313 -5.536 19617 3381 1 8 . 1 1 82 82 ILE H H 82 8.188 8.188 7.292 0.896 19617 3382 1 8 . 1 1 83 83 GLN N N 83 122.453 122.453 122.707 -0.254 19617 3383 1 8 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.706 0.690 19617 3384 1 8 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.357 -1.337 19617 3385 1 8 . 1 1 83 83 GLN CB C 83 32.515 32.515 31.628 0.887 19617 3386 1 8 . 1 1 83 83 GLN H H 83 8.423 8.423 8.409 0.014 19617 3387 1 8 . 1 1 84 84 GLY N N 84 111.436 111.436 110.613 0.823 19617 3388 1 8 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.218 -0.520 19617 3389 1 8 . 1 1 84 84 GLY H H 84 8.931 8.931 8.567 0.364 19617 3390 1 8 . 1 1 85 85 SER N N 85 113.877 113.877 115.681 -1.804 19617 3391 1 8 . 1 1 85 85 SER HA H 85 5.843 5.843 4.880 0.963 19617 3392 1 8 . 1 1 85 85 SER CA C 85 56.264 56.264 57.112 -0.848 19617 3393 1 8 . 1 1 85 85 SER CB C 85 66.946 66.946 66.070 0.875 19617 3394 1 8 . 1 1 85 85 SER H H 85 8.710 8.710 8.414 0.296 19617 3395 1 8 . 1 1 86 86 THR N N 86 115.389 115.389 117.064 -1.675 19617 3396 1 8 . 1 1 86 86 THR HA H 86 4.772 4.772 4.659 0.113 19617 3397 1 8 . 1 1 86 86 THR CA C 86 60.313 60.313 61.459 -1.146 19617 3398 1 8 . 1 1 86 86 THR CB C 86 69.852 69.852 72.055 -2.204 19617 3399 1 8 . 1 1 86 86 THR H H 86 8.854 8.854 8.784 0.070 19617 3400 1 8 . 1 1 87 87 ASP N N 87 124.622 124.622 127.945 -3.323 19617 3401 1 8 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.991 0.447 19617 3402 1 8 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.965 0.831 19617 3403 1 8 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.821 -0.811 19617 3404 1 8 . 1 1 87 87 ASP H H 87 7.953 7.953 8.492 -0.539 19617 3405 1 8 . 1 1 88 88 PHE N N 88 123.577 123.577 124.722 -1.145 19617 3406 1 8 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.258 -0.325 19617 3407 1 8 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.830 0.138 19617 3408 1 8 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.478 0.406 19617 3409 1 8 . 1 1 88 88 PHE H H 88 9.094 9.094 8.712 0.382 19617 3410 1 8 . 1 1 89 89 LYS N N 89 126.966 126.966 125.497 1.469 19617 3411 1 8 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.742 0.295 19617 3412 1 8 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.421 -0.532 19617 3413 1 8 . 1 1 89 89 LYS CB C 89 34.669 34.669 33.577 1.092 19617 3414 1 8 . 1 1 89 89 LYS H H 89 7.269 7.269 8.454 -1.185 19617 3415 1 8 . 1 1 90 90 VAL N N 90 126.146 126.146 128.173 -2.027 19617 3416 1 8 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.110 -0.102 19617 3417 1 8 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.111 -1.564 19617 3418 1 8 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.526 -1.578 19617 3419 1 8 . 1 1 90 90 VAL H H 90 9.086 9.086 8.804 0.282 19617 3420 1 8 . 1 1 91 91 THR N N 91 120.506 120.506 119.885 0.621 19617 3421 1 8 . 1 1 91 91 THR HA H 91 4.568 4.568 4.642 -0.074 19617 3422 1 8 . 1 1 91 91 THR CA C 91 59.348 59.348 60.097 -0.750 19617 3423 1 8 . 1 1 91 91 THR CB C 91 68.970 68.970 70.957 -1.987 19617 3424 1 8 . 1 1 91 91 THR H H 91 8.757 8.757 7.965 0.792 19617 3425 1 9 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.408 -0.137 19617 3426 1 9 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.941 -1.720 19617 3427 1 9 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.189 -0.773 19617 3428 1 9 . 1 1 3 3 ALA N N 3 123.801 123.801 121.652 2.149 19617 3429 1 9 . 1 1 3 3 ALA HA H 3 4.206 4.206 3.723 0.483 19617 3430 1 9 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.107 -0.712 19617 3431 1 9 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.526 0.314 19617 3432 1 9 . 1 1 3 3 ALA H H 3 8.647 8.647 8.021 0.626 19617 3433 1 9 . 1 1 4 4 ALA N N 4 124.058 124.058 126.278 -2.220 19617 3434 1 9 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.481 0.198 19617 3435 1 9 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.099 -1.077 19617 3436 1 9 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.806 0.091 19617 3437 1 9 . 1 1 4 4 ALA H H 4 8.239 8.239 8.572 -0.333 19617 3438 1 9 . 1 1 5 5 LEU N N 5 124.019 124.019 122.623 1.396 19617 3439 1 9 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.024 -0.652 19617 3440 1 9 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.993 0.015 19617 3441 1 9 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.801 -0.559 19617 3442 1 9 . 1 1 5 5 LEU H H 5 8.560 8.560 8.923 -0.363 19617 3443 1 9 . 1 1 6 6 VAL N N 6 123.358 123.358 119.312 4.046 19617 3444 1 9 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.029 0.072 19617 3445 1 9 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.757 -1.417 19617 3446 1 9 . 1 1 6 6 VAL CB C 6 32.948 32.948 32.337 0.612 19617 3447 1 9 . 1 1 6 6 VAL H H 6 9.119 9.119 7.797 1.322 19617 3448 1 9 . 1 1 7 7 SER N N 7 112.139 112.139 125.330 -13.191 19617 3449 1 9 . 1 1 7 7 SER HA H 7 4.445 4.445 4.721 -0.276 19617 3450 1 9 . 1 1 7 7 SER CA C 7 56.349 56.349 56.979 -0.630 19617 3451 1 9 . 1 1 7 7 SER CB C 7 64.361 64.361 64.247 0.114 19617 3452 1 9 . 1 1 7 7 SER H H 7 7.680 7.680 8.484 -0.804 19617 3453 1 9 . 1 1 8 8 ILE N N 8 118.677 118.677 123.668 -4.991 19617 3454 1 9 . 1 1 8 8 ILE HA H 8 4.681 4.681 5.237 -0.556 19617 3455 1 9 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.339 -0.193 19617 3456 1 9 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.355 0.319 19617 3457 1 9 . 1 1 8 8 ILE H H 8 8.354 8.354 8.371 -0.017 19617 3458 1 9 . 1 1 9 9 SER N N 9 121.319 121.319 121.978 -0.659 19617 3459 1 9 . 1 1 9 9 SER HA H 9 4.859 4.859 4.773 0.086 19617 3460 1 9 . 1 1 9 9 SER CA C 9 55.381 55.381 57.466 -2.085 19617 3461 1 9 . 1 1 9 9 SER CB C 9 64.243 64.243 64.403 -0.160 19617 3462 1 9 . 1 1 9 9 SER H H 9 9.028 9.028 8.179 0.849 19617 3463 1 9 . 1 1 10 10 VAL N N 10 127.508 127.508 126.079 1.429 19617 3464 1 9 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.733 0.318 19617 3465 1 9 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.421 0.491 19617 3466 1 9 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.275 0.112 19617 3467 1 9 . 1 1 10 10 VAL H H 10 8.911 8.911 8.692 0.219 19617 3468 1 9 . 1 1 11 11 SER N N 11 121.861 121.861 123.916 -2.055 19617 3469 1 9 . 1 1 11 11 SER CB C 11 64.373 64.373 63.365 1.008 19617 3470 1 9 . 1 1 11 11 SER H H 11 9.205 9.205 8.700 0.505 19617 3471 1 9 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.547 0.163 19617 3472 1 9 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.442 -1.543 19617 3473 1 9 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.580 1.509 19617 3474 1 9 . 1 1 13 13 THR N N 13 116.138 116.138 116.391 -0.253 19617 3475 1 9 . 1 1 13 13 THR HA H 13 4.766 4.766 4.541 0.225 19617 3476 1 9 . 1 1 13 13 THR CA C 13 60.153 60.153 60.909 -0.756 19617 3477 1 9 . 1 1 13 13 THR CB C 13 69.426 69.426 70.521 -1.095 19617 3478 1 9 . 1 1 13 13 THR H H 13 8.679 8.679 8.291 0.388 19617 3479 1 9 . 1 1 14 14 ASN N N 14 124.457 124.457 126.937 -2.480 19617 3480 1 9 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.963 -0.266 19617 3481 1 9 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.847 -0.719 19617 3482 1 9 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.835 -2.242 19617 3483 1 9 . 1 1 14 14 ASN H H 14 8.710 8.710 8.920 -0.210 19617 3484 1 9 . 1 1 15 15 SER N N 15 113.672 113.672 117.657 -3.985 19617 3485 1 9 . 1 1 15 15 SER HA H 15 4.651 4.651 4.670 -0.018 19617 3486 1 9 . 1 1 15 15 SER CA C 15 55.644 55.644 56.616 -0.972 19617 3487 1 9 . 1 1 15 15 SER CB C 15 63.953 63.953 64.388 -0.435 19617 3488 1 9 . 1 1 15 15 SER H H 15 9.127 9.127 8.285 0.842 19617 3489 1 9 . 1 1 16 16 THR N N 16 113.578 113.578 112.824 0.754 19617 3490 1 9 . 1 1 16 16 THR HA H 16 4.975 4.975 4.652 0.323 19617 3491 1 9 . 1 1 16 16 THR CA C 16 58.445 58.445 60.867 -2.422 19617 3492 1 9 . 1 1 16 16 THR CB C 16 70.534 70.534 70.544 -0.010 19617 3493 1 9 . 1 1 16 16 THR H H 16 7.962 7.962 8.159 -0.197 19617 3494 1 9 . 1 1 17 17 VAL N N 17 121.480 121.480 115.998 5.482 19617 3495 1 9 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.614 -0.292 19617 3496 1 9 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.690 0.247 19617 3497 1 9 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.658 -0.255 19617 3498 1 9 . 1 1 17 17 VAL H H 17 7.969 7.969 8.762 -0.793 19617 3499 1 9 . 1 1 18 18 ALA N N 18 126.013 126.013 124.911 1.102 19617 3500 1 9 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.332 -0.157 19617 3501 1 9 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.487 -0.524 19617 3502 1 9 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.618 -0.696 19617 3503 1 9 . 1 1 18 18 ALA H H 18 7.756 7.756 8.314 -0.558 19617 3504 1 9 . 1 1 19 19 LYS N N 19 119.740 119.740 121.557 -1.817 19617 3505 1 9 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.035 -0.546 19617 3506 1 9 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.075 0.697 19617 3507 1 9 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.799 -1.197 19617 3508 1 9 . 1 1 19 19 LYS H H 19 7.892 7.892 8.444 -0.552 19617 3509 1 9 . 1 1 20 20 GLY N N 20 116.706 116.706 114.061 2.645 19617 3510 1 9 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.246 -1.483 19617 3511 1 9 . 1 1 20 20 GLY H H 20 8.615 8.615 8.690 -0.075 19617 3512 1 9 . 1 1 21 21 LEU N N 21 123.004 123.004 122.983 0.021 19617 3513 1 9 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.537 0.053 19617 3514 1 9 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.216 -0.851 19617 3515 1 9 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.878 -4.916 19617 3516 1 9 . 1 1 21 21 LEU H H 21 8.013 8.013 7.913 0.100 19617 3517 1 9 . 1 1 22 22 GLN N N 22 117.502 117.502 118.005 -0.503 19617 3518 1 9 . 1 1 22 22 GLN HA H 22 5.126 5.126 4.985 0.141 19617 3519 1 9 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.956 -0.287 19617 3520 1 9 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.540 -0.626 19617 3521 1 9 . 1 1 22 22 GLN H H 22 8.223 8.223 8.290 -0.067 19617 3522 1 9 . 1 1 23 23 GLU N N 23 118.123 118.123 121.934 -3.811 19617 3523 1 9 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.500 0.062 19617 3524 1 9 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.076 -2.209 19617 3525 1 9 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.929 -0.056 19617 3526 1 9 . 1 1 23 23 GLU H H 23 8.188 8.188 8.287 -0.099 19617 3527 1 9 . 1 1 24 24 ASN N N 24 125.843 125.843 122.041 3.802 19617 3528 1 9 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.544 0.233 19617 3529 1 9 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.479 0.032 19617 3530 1 9 . 1 1 24 24 ASN CB C 24 39.746 39.746 38.875 0.871 19617 3531 1 9 . 1 1 24 24 ASN H H 24 9.391 9.391 8.430 0.961 19617 3532 1 9 . 1 1 25 25 PHE N N 25 122.822 122.822 120.576 2.246 19617 3533 1 9 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.687 -0.037 19617 3534 1 9 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.124 0.999 19617 3535 1 9 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.360 -2.301 19617 3536 1 9 . 1 1 25 25 PHE H H 25 8.059 8.059 7.852 0.207 19617 3537 1 9 . 1 1 26 26 LYS N N 26 119.114 119.114 119.811 -0.697 19617 3538 1 9 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.803 0.441 19617 3539 1 9 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.462 -3.486 19617 3540 1 9 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.451 -0.790 19617 3541 1 9 . 1 1 26 26 LYS H H 26 9.255 9.255 8.692 0.563 19617 3542 1 9 . 1 1 27 27 ALA N N 27 125.586 125.586 128.143 -2.557 19617 3543 1 9 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.452 -0.189 19617 3544 1 9 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.169 -2.352 19617 3545 1 9 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.148 -0.988 19617 3546 1 9 . 1 1 27 27 ALA H H 27 9.119 9.119 8.946 0.173 19617 3547 1 9 . 1 1 28 28 THR N N 28 120.628 120.628 116.330 4.298 19617 3548 1 9 . 1 1 28 28 THR HA H 28 4.843 4.843 4.620 0.223 19617 3549 1 9 . 1 1 28 28 THR CA C 28 60.566 60.566 60.711 -0.144 19617 3550 1 9 . 1 1 28 28 THR CB C 28 69.478 69.478 69.689 -0.212 19617 3551 1 9 . 1 1 28 28 THR H H 28 9.061 9.061 8.064 0.997 19617 3552 1 9 . 1 1 29 29 GLY N N 29 115.787 115.787 113.363 2.424 19617 3553 1 9 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.145 0.171 19617 3554 1 9 . 1 1 29 29 GLY H H 29 9.663 9.663 8.667 0.996 19617 3555 1 9 . 1 1 30 30 ILE N N 30 123.084 123.084 121.279 1.805 19617 3556 1 9 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.796 -0.015 19617 3557 1 9 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.891 0.497 19617 3558 1 9 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.133 -4.250 19617 3559 1 9 . 1 1 30 30 ILE H H 30 7.914 7.914 8.073 -0.159 19617 3560 1 9 . 1 1 31 31 PHE N N 31 125.209 125.209 120.136 5.073 19617 3561 1 9 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.182 0.188 19617 3562 1 9 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.272 1.215 19617 3563 1 9 . 1 1 31 31 PHE CB C 31 41.153 41.153 40.904 0.249 19617 3564 1 9 . 1 1 31 31 PHE H H 31 8.316 8.316 7.084 1.232 19617 3565 1 9 . 1 1 32 32 THR N N 32 113.843 113.843 113.560 0.283 19617 3566 1 9 . 1 1 32 32 THR HA H 32 4.409 4.409 4.072 0.337 19617 3567 1 9 . 1 1 32 32 THR CA C 32 64.157 64.157 65.002 -0.845 19617 3568 1 9 . 1 1 32 32 THR CB C 32 68.540 68.540 68.760 -0.219 19617 3569 1 9 . 1 1 32 32 THR H H 32 9.335 9.335 9.003 0.332 19617 3570 1 9 . 1 1 33 33 ASP N N 33 118.799 118.799 120.667 -1.868 19617 3571 1 9 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.638 -0.016 19617 3572 1 9 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.821 -2.858 19617 3573 1 9 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.174 -2.680 19617 3574 1 9 . 1 1 33 33 ASP H H 33 7.689 7.689 8.582 -0.893 19617 3575 1 9 . 1 1 34 34 ASN N N 34 112.999 112.999 117.320 -4.321 19617 3576 1 9 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.830 -0.480 19617 3577 1 9 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.560 0.786 19617 3578 1 9 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.996 -4.506 19617 3579 1 9 . 1 1 34 34 ASN H H 34 8.370 8.370 7.872 0.498 19617 3580 1 9 . 1 1 35 35 SER N N 35 115.544 115.544 117.444 -1.900 19617 3581 1 9 . 1 1 35 35 SER HA H 35 4.410 4.410 4.141 0.269 19617 3582 1 9 . 1 1 35 35 SER CA C 35 57.882 57.882 59.116 -1.234 19617 3583 1 9 . 1 1 35 35 SER CB C 35 63.770 63.770 62.927 0.843 19617 3584 1 9 . 1 1 35 35 SER H H 35 7.990 7.990 8.488 -0.498 19617 3585 1 9 . 1 1 36 36 ASN N N 36 116.055 116.055 122.254 -6.199 19617 3586 1 9 . 1 1 36 36 ASN CA C 36 50.674 50.674 51.910 -1.236 19617 3587 1 9 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.385 -0.586 19617 3588 1 9 . 1 1 36 36 ASN H H 36 8.518 8.518 7.381 1.137 19617 3589 1 9 . 1 1 37 37 SER N N 37 113.193 113.193 115.316 -2.123 19617 3590 1 9 . 1 1 37 37 SER HA H 37 4.719 4.719 4.416 0.303 19617 3591 1 9 . 1 1 37 37 SER CA C 37 56.801 56.801 58.490 -1.689 19617 3592 1 9 . 1 1 37 37 SER CB C 37 64.872 64.872 64.516 0.356 19617 3593 1 9 . 1 1 37 37 SER H H 37 8.667 8.667 8.424 0.243 19617 3594 1 9 . 1 1 38 38 ASP N N 38 123.964 123.964 122.794 1.170 19617 3595 1 9 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.553 0.429 19617 3596 1 9 . 1 1 38 38 ASP CA C 38 54.201 54.201 56.273 -2.072 19617 3597 1 9 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.583 -0.654 19617 3598 1 9 . 1 1 38 38 ASP H H 38 8.849 8.849 8.734 0.115 19617 3599 1 9 . 1 1 39 39 ILE N N 39 121.214 121.214 122.529 -1.315 19617 3600 1 9 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.249 0.627 19617 3601 1 9 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.989 -2.281 19617 3602 1 9 . 1 1 39 39 ILE CB C 39 37.086 37.086 38.600 -1.514 19617 3603 1 9 . 1 1 39 39 ILE H H 39 8.816 8.816 8.286 0.530 19617 3604 1 9 . 1 1 40 40 THR N N 40 122.861 122.861 116.911 5.950 19617 3605 1 9 . 1 1 40 40 THR HA H 40 4.289 4.289 4.188 0.101 19617 3606 1 9 . 1 1 40 40 THR CB C 40 68.527 68.527 69.406 -0.879 19617 3607 1 9 . 1 1 40 40 THR H H 40 8.679 8.679 8.121 0.558 19617 3608 1 9 . 1 1 41 41 ASP N N 41 114.076 114.076 118.416 -4.340 19617 3609 1 9 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.684 -0.987 19617 3610 1 9 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.126 -0.648 19617 3611 1 9 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.165 -2.447 19617 3612 1 9 . 1 1 41 41 ASP H H 41 8.539 8.539 8.321 0.218 19617 3613 1 9 . 1 1 42 42 GLN N N 42 117.086 117.086 118.550 -1.464 19617 3614 1 9 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.943 0.203 19617 3615 1 9 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.525 -0.989 19617 3616 1 9 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.730 2.486 19617 3617 1 9 . 1 1 42 42 GLN H H 42 7.718 7.718 7.967 -0.249 19617 3618 1 9 . 1 1 43 43 VAL N N 43 109.916 109.916 125.203 -15.287 19617 3619 1 9 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.950 0.141 19617 3620 1 9 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.785 -3.945 19617 3621 1 9 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.009 -1.736 19617 3622 1 9 . 1 1 43 43 VAL H H 43 6.902 6.902 8.498 -1.596 19617 3623 1 9 . 1 1 44 44 THR N N 44 116.270 116.270 124.410 -8.140 19617 3624 1 9 . 1 1 44 44 THR HA H 44 4.311 4.311 4.528 -0.217 19617 3625 1 9 . 1 1 44 44 THR CA C 44 61.651 61.651 62.368 -0.717 19617 3626 1 9 . 1 1 44 44 THR CB C 44 68.890 68.890 68.806 0.084 19617 3627 1 9 . 1 1 44 44 THR H H 44 8.787 8.787 8.169 0.618 19617 3628 1 9 . 1 1 45 45 TRP N N 45 132.099 132.099 127.540 4.559 19617 3629 1 9 . 1 1 45 45 TRP HA H 45 5.246 5.246 4.896 0.350 19617 3630 1 9 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.914 -0.527 19617 3631 1 9 . 1 1 45 45 TRP CB C 45 30.077 30.077 32.238 -2.161 19617 3632 1 9 . 1 1 45 45 TRP H H 45 10.351 10.351 8.649 1.702 19617 3633 1 9 . 1 1 46 46 ASP N N 46 121.897 121.897 124.573 -2.676 19617 3634 1 9 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.003 -0.144 19617 3635 1 9 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.386 -0.589 19617 3636 1 9 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.717 0.359 19617 3637 1 9 . 1 1 46 46 ASP H H 46 9.471 9.471 8.269 1.202 19617 3638 1 9 . 1 1 47 47 SER N N 47 113.805 113.805 119.006 -5.201 19617 3639 1 9 . 1 1 47 47 SER HA H 47 5.044 5.044 4.652 0.392 19617 3640 1 9 . 1 1 47 47 SER CA C 47 53.059 53.059 56.859 -3.800 19617 3641 1 9 . 1 1 47 47 SER CB C 47 64.880 64.880 64.229 0.651 19617 3642 1 9 . 1 1 47 47 SER H H 47 8.502 8.502 8.440 0.062 19617 3643 1 9 . 1 1 48 48 SER N N 48 119.614 119.614 121.383 -1.769 19617 3644 1 9 . 1 1 48 48 SER HA H 48 4.281 4.281 4.222 0.059 19617 3645 1 9 . 1 1 48 48 SER CA C 48 59.404 59.404 59.741 -0.337 19617 3646 1 9 . 1 1 48 48 SER CB C 48 62.026 62.026 63.337 -1.311 19617 3647 1 9 . 1 1 48 48 SER H H 48 8.518 8.518 8.527 -0.009 19617 3648 1 9 . 1 1 49 49 ASN N N 49 118.260 118.260 117.360 0.900 19617 3649 1 9 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.868 0.027 19617 3650 1 9 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.998 -1.157 19617 3651 1 9 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.374 -0.654 19617 3652 1 9 . 1 1 49 49 ASN H H 49 7.816 7.816 8.701 -0.885 19617 3653 1 9 . 1 1 50 50 THR N N 50 119.289 119.289 111.203 8.086 19617 3654 1 9 . 1 1 50 50 THR HA H 50 4.567 4.567 4.432 0.135 19617 3655 1 9 . 1 1 50 50 THR CA C 50 62.137 62.137 62.865 -0.728 19617 3656 1 9 . 1 1 50 50 THR CB C 50 67.100 67.100 69.698 -2.598 19617 3657 1 9 . 1 1 50 50 THR H H 50 9.048 9.048 8.153 0.895 19617 3658 1 9 . 1 1 51 51 ASP N N 51 118.825 118.825 121.064 -2.239 19617 3659 1 9 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.766 -0.189 19617 3660 1 9 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.185 0.505 19617 3661 1 9 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.655 -2.997 19617 3662 1 9 . 1 1 51 51 ASP H H 51 8.251 8.251 8.400 -0.149 19617 3663 1 9 . 1 1 52 52 ILE N N 52 118.410 118.410 122.067 -3.657 19617 3664 1 9 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.289 -0.363 19617 3665 1 9 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.436 0.245 19617 3666 1 9 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.318 0.578 19617 3667 1 9 . 1 1 52 52 ILE H H 52 7.169 7.169 8.252 -1.083 19617 3668 1 9 . 1 1 53 53 LEU N N 53 120.129 120.129 124.315 -4.186 19617 3669 1 9 . 1 1 53 53 LEU HA H 53 5.022 5.022 5.084 -0.062 19617 3670 1 9 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.638 -1.357 19617 3671 1 9 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.991 1.414 19617 3672 1 9 . 1 1 53 53 LEU H H 53 7.876 7.876 8.287 -0.411 19617 3673 1 9 . 1 1 54 54 SER N N 54 122.249 122.249 118.160 4.089 19617 3674 1 9 . 1 1 54 54 SER HA H 54 4.954 4.954 4.879 0.075 19617 3675 1 9 . 1 1 54 54 SER CA C 54 54.724 54.724 57.197 -2.473 19617 3676 1 9 . 1 1 54 54 SER CB C 54 64.417 64.417 65.732 -1.315 19617 3677 1 9 . 1 1 54 54 SER H H 54 8.650 8.650 8.714 -0.064 19617 3678 1 9 . 1 1 55 55 ILE N N 55 123.973 123.973 121.329 2.644 19617 3679 1 9 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.656 0.246 19617 3680 1 9 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.550 -0.682 19617 3681 1 9 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.199 0.219 19617 3682 1 9 . 1 1 55 55 ILE H H 55 9.081 9.081 8.376 0.705 19617 3683 1 9 . 1 1 56 56 SER N N 56 119.541 119.541 121.622 -2.081 19617 3684 1 9 . 1 1 56 56 SER HA H 56 4.384 4.384 4.773 -0.389 19617 3685 1 9 . 1 1 56 56 SER CA C 56 56.626 56.626 58.122 -1.496 19617 3686 1 9 . 1 1 56 56 SER CB C 56 63.106 63.106 64.569 -1.463 19617 3687 1 9 . 1 1 56 56 SER H H 56 7.905 7.905 8.450 -0.545 19617 3688 1 9 . 1 1 57 57 ASN N N 57 124.208 124.208 123.037 1.171 19617 3689 1 9 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.934 0.082 19617 3690 1 9 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.559 -1.090 19617 3691 1 9 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.609 0.481 19617 3692 1 9 . 1 1 57 57 ASN H H 57 8.945 8.945 8.789 0.156 19617 3693 1 9 . 1 1 58 58 ALA N N 58 124.301 124.301 123.653 0.648 19617 3694 1 9 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.418 -0.284 19617 3695 1 9 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.124 -0.837 19617 3696 1 9 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.823 -1.469 19617 3697 1 9 . 1 1 58 58 ALA H H 58 8.150 8.150 8.315 -0.165 19617 3698 1 9 . 1 1 59 59 SER N N 59 113.293 113.293 115.149 -1.856 19617 3699 1 9 . 1 1 59 59 SER HA H 59 4.706 4.706 4.131 0.575 19617 3700 1 9 . 1 1 59 59 SER CA C 59 60.003 60.003 60.490 -0.487 19617 3701 1 9 . 1 1 59 59 SER CB C 59 62.574 62.574 63.317 -0.743 19617 3702 1 9 . 1 1 59 59 SER H H 59 8.377 8.377 8.697 -0.320 19617 3703 1 9 . 1 1 60 60 ASP N N 60 116.272 116.272 114.260 2.012 19617 3704 1 9 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.626 0.045 19617 3705 1 9 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.340 -1.581 19617 3706 1 9 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.886 -1.174 19617 3707 1 9 . 1 1 60 60 ASP H H 60 8.310 8.310 7.904 0.406 19617 3708 1 9 . 1 1 61 61 SER N N 61 112.651 112.651 113.611 -0.960 19617 3709 1 9 . 1 1 61 61 SER HA H 61 4.630 4.630 4.681 -0.051 19617 3710 1 9 . 1 1 61 61 SER CA C 61 56.180 56.180 58.446 -2.266 19617 3711 1 9 . 1 1 61 61 SER CB C 61 61.843 61.843 65.013 -3.170 19617 3712 1 9 . 1 1 61 61 SER H H 61 7.588 7.588 7.785 -0.197 19617 3713 1 9 . 1 1 62 62 HIS N N 62 119.790 119.790 120.641 -0.851 19617 3714 1 9 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.586 -0.540 19617 3715 1 9 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.518 0.401 19617 3716 1 9 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.463 -1.939 19617 3717 1 9 . 1 1 62 62 HIS H H 62 8.030 8.030 8.198 -0.168 19617 3718 1 9 . 1 1 63 63 GLY N N 63 113.297 113.297 110.632 2.665 19617 3719 1 9 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.784 -1.131 19617 3720 1 9 . 1 1 63 63 GLY H H 63 8.733 8.733 8.389 0.344 19617 3721 1 9 . 1 1 64 64 LEU N N 64 120.663 120.663 115.469 5.194 19617 3722 1 9 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.459 -0.073 19617 3723 1 9 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.066 -0.173 19617 3724 1 9 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.699 -2.236 19617 3725 1 9 . 1 1 64 64 LEU H H 64 7.680 7.680 7.645 0.035 19617 3726 1 9 . 1 1 65 65 ALA N N 65 108.347 108.347 125.454 -17.107 19617 3727 1 9 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.849 0.553 19617 3728 1 9 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.665 -1.398 19617 3729 1 9 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.396 1.159 19617 3730 1 9 . 1 1 65 65 ALA H H 65 9.874 9.874 8.365 1.509 19617 3731 1 9 . 1 1 66 66 SER N N 66 115.950 115.950 119.527 -3.577 19617 3732 1 9 . 1 1 66 66 SER HA H 66 4.906 4.906 5.622 -0.716 19617 3733 1 9 . 1 1 66 66 SER CA C 66 56.645 56.645 56.645 -0.000 19617 3734 1 9 . 1 1 66 66 SER CB C 66 63.823 63.823 66.197 -2.374 19617 3735 1 9 . 1 1 66 66 SER H H 66 8.938 8.938 8.601 0.337 19617 3736 1 9 . 1 1 67 67 THR N N 67 113.595 113.595 118.070 -4.475 19617 3737 1 9 . 1 1 67 67 THR HA H 67 4.649 4.649 4.597 0.052 19617 3738 1 9 . 1 1 67 67 THR CA C 67 59.216 59.216 62.364 -3.148 19617 3739 1 9 . 1 1 67 67 THR CB C 67 69.006 69.006 70.700 -1.694 19617 3740 1 9 . 1 1 67 67 THR H H 67 8.257 8.257 8.257 -0.000 19617 3741 1 9 . 1 1 68 68 LEU N N 68 124.152 124.152 129.116 -4.964 19617 3742 1 9 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.760 -0.398 19617 3743 1 9 . 1 1 68 68 LEU CA C 68 55.112 55.112 53.765 1.347 19617 3744 1 9 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.864 0.051 19617 3745 1 9 . 1 1 68 68 LEU H H 68 8.616 8.616 8.183 0.433 19617 3746 1 9 . 1 1 69 69 ASN N N 69 115.820 115.820 119.356 -3.536 19617 3747 1 9 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.976 -0.316 19617 3748 1 9 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.895 -0.439 19617 3749 1 9 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.153 1.153 19617 3750 1 9 . 1 1 69 69 ASN H H 69 7.965 7.965 7.670 0.295 19617 3751 1 9 . 1 1 70 70 GLN N N 70 114.562 114.562 119.428 -4.866 19617 3752 1 9 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.514 -0.588 19617 3753 1 9 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.638 -0.401 19617 3754 1 9 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.716 0.290 19617 3755 1 9 . 1 1 70 70 GLN H H 70 8.287 8.287 8.610 -0.323 19617 3756 1 9 . 1 1 71 71 GLY N N 71 108.005 108.005 110.844 -2.839 19617 3757 1 9 . 1 1 71 71 GLY CA C 71 43.686 43.686 46.090 -2.404 19617 3758 1 9 . 1 1 71 71 GLY H H 71 8.520 8.520 7.996 0.524 19617 3759 1 9 . 1 1 72 72 ASN N N 72 117.787 117.787 119.978 -2.191 19617 3760 1 9 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.968 0.505 19617 3761 1 9 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.315 -0.624 19617 3762 1 9 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.712 -1.816 19617 3763 1 9 . 1 1 72 72 ASN H H 72 8.420 8.420 8.296 0.124 19617 3764 1 9 . 1 1 73 73 VAL N N 73 115.846 115.846 120.285 -4.439 19617 3765 1 9 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.359 0.168 19617 3766 1 9 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.358 -2.383 19617 3767 1 9 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.505 -0.327 19617 3768 1 9 . 1 1 73 73 VAL H H 73 8.990 8.990 9.103 -0.113 19617 3769 1 9 . 1 1 74 74 LYS N N 74 123.195 123.195 125.412 -2.217 19617 3770 1 9 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.759 0.395 19617 3771 1 9 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.903 -1.022 19617 3772 1 9 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.355 -0.757 19617 3773 1 9 . 1 1 74 74 LYS H H 74 8.715 8.715 8.504 0.211 19617 3774 1 9 . 1 1 75 75 VAL N N 75 129.521 129.521 126.779 2.742 19617 3775 1 9 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.667 -0.124 19617 3776 1 9 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.441 0.375 19617 3777 1 9 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.450 0.034 19617 3778 1 9 . 1 1 75 75 VAL H H 75 8.975 8.975 8.594 0.381 19617 3779 1 9 . 1 1 76 76 THR N N 76 120.544 120.544 118.691 1.853 19617 3780 1 9 . 1 1 76 76 THR HA H 76 5.067 5.067 4.896 0.171 19617 3781 1 9 . 1 1 76 76 THR CA C 76 59.783 59.783 60.137 -0.354 19617 3782 1 9 . 1 1 76 76 THR CB C 76 70.733 70.733 70.440 0.293 19617 3783 1 9 . 1 1 76 76 THR H H 76 8.650 8.650 8.194 0.456 19617 3784 1 9 . 1 1 77 77 ALA N N 77 126.453 126.453 127.779 -1.326 19617 3785 1 9 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.113 -0.733 19617 3786 1 9 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.827 -2.397 19617 3787 1 9 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.914 -1.370 19617 3788 1 9 . 1 1 77 77 ALA H H 77 8.674 8.674 8.235 0.439 19617 3789 1 9 . 1 1 78 78 SER N N 78 113.566 113.566 117.434 -3.868 19617 3790 1 9 . 1 1 78 78 SER HA H 78 5.377 5.377 4.751 0.626 19617 3791 1 9 . 1 1 78 78 SER CA C 78 56.077 56.077 57.739 -1.663 19617 3792 1 9 . 1 1 78 78 SER CB C 78 65.730 65.730 66.008 -0.278 19617 3793 1 9 . 1 1 78 78 SER H H 78 8.116 8.116 8.338 -0.223 19617 3794 1 9 . 1 1 79 79 ILE N N 79 121.070 121.070 125.471 -4.401 19617 3795 1 9 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.429 -0.281 19617 3796 1 9 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.920 1.204 19617 3797 1 9 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.201 -1.392 19617 3798 1 9 . 1 1 79 79 ILE H H 79 8.446 8.446 8.521 -0.075 19617 3799 1 9 . 1 1 80 80 GLY N N 80 117.155 117.155 116.562 0.593 19617 3800 1 9 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.675 -0.669 19617 3801 1 9 . 1 1 80 80 GLY H H 80 8.899 8.899 8.908 -0.009 19617 3802 1 9 . 1 1 81 81 GLY N N 81 110.715 110.715 110.944 -0.229 19617 3803 1 9 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.764 -0.386 19617 3804 1 9 . 1 1 81 81 GLY H H 81 8.742 8.742 8.212 0.530 19617 3805 1 9 . 1 1 82 82 ILE N N 82 124.113 124.113 121.110 3.003 19617 3806 1 9 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.285 -0.083 19617 3807 1 9 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.632 -0.599 19617 3808 1 9 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.718 -1.942 19617 3809 1 9 . 1 1 82 82 ILE H H 82 8.188 8.188 7.713 0.475 19617 3810 1 9 . 1 1 83 83 GLN N N 83 122.453 122.453 121.565 0.888 19617 3811 1 9 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.926 0.470 19617 3812 1 9 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.998 -0.978 19617 3813 1 9 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.079 -0.564 19617 3814 1 9 . 1 1 83 83 GLN H H 83 8.423 8.423 8.188 0.235 19617 3815 1 9 . 1 1 84 84 GLY N N 84 111.436 111.436 107.804 3.632 19617 3816 1 9 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.838 -1.140 19617 3817 1 9 . 1 1 84 84 GLY H H 84 8.931 8.931 8.672 0.259 19617 3818 1 9 . 1 1 85 85 SER N N 85 113.877 113.877 115.923 -2.046 19617 3819 1 9 . 1 1 85 85 SER HA H 85 5.843 5.843 4.852 0.991 19617 3820 1 9 . 1 1 85 85 SER CA C 85 56.264 56.264 57.580 -1.316 19617 3821 1 9 . 1 1 85 85 SER CB C 85 66.946 66.946 66.886 0.060 19617 3822 1 9 . 1 1 85 85 SER H H 85 8.710 8.710 8.339 0.371 19617 3823 1 9 . 1 1 86 86 THR N N 86 115.389 115.389 115.693 -0.304 19617 3824 1 9 . 1 1 86 86 THR HA H 86 4.772 4.772 4.756 0.016 19617 3825 1 9 . 1 1 86 86 THR CA C 86 60.313 60.313 60.022 0.291 19617 3826 1 9 . 1 1 86 86 THR CB C 86 69.852 69.852 70.711 -0.859 19617 3827 1 9 . 1 1 86 86 THR H H 86 8.854 8.854 8.486 0.368 19617 3828 1 9 . 1 1 87 87 ASP N N 87 124.622 124.622 125.579 -0.957 19617 3829 1 9 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.938 0.500 19617 3830 1 9 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.593 0.203 19617 3831 1 9 . 1 1 87 87 ASP CB C 87 42.010 42.010 41.925 0.085 19617 3832 1 9 . 1 1 87 87 ASP H H 87 7.953 7.953 8.450 -0.497 19617 3833 1 9 . 1 1 88 88 PHE N N 88 123.577 123.577 125.225 -1.648 19617 3834 1 9 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.113 -0.180 19617 3835 1 9 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.734 0.233 19617 3836 1 9 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.499 0.385 19617 3837 1 9 . 1 1 88 88 PHE H H 88 9.094 9.094 8.815 0.279 19617 3838 1 9 . 1 1 89 89 LYS N N 89 126.966 126.966 125.498 1.468 19617 3839 1 9 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.705 0.332 19617 3840 1 9 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.171 -1.282 19617 3841 1 9 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.383 0.286 19617 3842 1 9 . 1 1 89 89 LYS H H 89 7.269 7.269 8.166 -0.897 19617 3843 1 9 . 1 1 90 90 VAL N N 90 126.146 126.146 128.418 -2.272 19617 3844 1 9 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.081 -0.073 19617 3845 1 9 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.076 -1.529 19617 3846 1 9 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.935 -0.987 19617 3847 1 9 . 1 1 90 90 VAL H H 90 9.086 9.086 8.867 0.219 19617 3848 1 9 . 1 1 91 91 THR N N 91 120.506 120.506 119.640 0.866 19617 3849 1 9 . 1 1 91 91 THR HA H 91 4.568 4.568 4.775 -0.207 19617 3850 1 9 . 1 1 91 91 THR CA C 91 59.348 59.348 59.399 -0.051 19617 3851 1 9 . 1 1 91 91 THR CB C 91 68.970 68.970 70.912 -1.942 19617 3852 1 9 . 1 1 91 91 THR H H 91 8.757 8.757 7.792 0.965 19617 3853 1 10 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.758 -0.487 19617 3854 1 10 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.898 -1.677 19617 3855 1 10 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.888 -1.472 19617 3856 1 10 . 1 1 3 3 ALA N N 3 123.801 123.801 122.212 1.589 19617 3857 1 10 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.467 -0.261 19617 3858 1 10 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.574 -0.179 19617 3859 1 10 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.758 -1.918 19617 3860 1 10 . 1 1 3 3 ALA H H 3 8.647 8.647 8.112 0.535 19617 3861 1 10 . 1 1 4 4 ALA N N 4 124.058 124.058 120.823 3.235 19617 3862 1 10 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.683 -0.004 19617 3863 1 10 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.797 -0.775 19617 3864 1 10 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.802 -0.905 19617 3865 1 10 . 1 1 4 4 ALA H H 4 8.239 8.239 8.226 0.013 19617 3866 1 10 . 1 1 5 5 LEU N N 5 124.019 124.019 121.701 2.318 19617 3867 1 10 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.538 -0.166 19617 3868 1 10 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.037 -0.029 19617 3869 1 10 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.290 -0.048 19617 3870 1 10 . 1 1 5 5 LEU H H 5 8.560 8.560 7.465 1.095 19617 3871 1 10 . 1 1 6 6 VAL N N 6 123.358 123.358 124.156 -0.798 19617 3872 1 10 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.113 -0.012 19617 3873 1 10 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.669 -0.329 19617 3874 1 10 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.559 -0.611 19617 3875 1 10 . 1 1 6 6 VAL H H 6 9.119 9.119 8.243 0.876 19617 3876 1 10 . 1 1 7 7 SER N N 7 112.139 112.139 112.286 -0.147 19617 3877 1 10 . 1 1 7 7 SER HA H 7 4.445 4.445 4.827 -0.382 19617 3878 1 10 . 1 1 7 7 SER CA C 7 56.349 56.349 57.454 -1.105 19617 3879 1 10 . 1 1 7 7 SER CB C 7 64.361 64.361 65.815 -1.454 19617 3880 1 10 . 1 1 7 7 SER H H 7 7.680 7.680 8.086 -0.406 19617 3881 1 10 . 1 1 8 8 ILE N N 8 118.677 118.677 116.594 2.083 19617 3882 1 10 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.674 0.007 19617 3883 1 10 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.239 -1.093 19617 3884 1 10 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.493 -0.819 19617 3885 1 10 . 1 1 8 8 ILE H H 8 8.354 8.354 8.252 0.102 19617 3886 1 10 . 1 1 9 9 SER N N 9 121.319 121.319 118.237 3.082 19617 3887 1 10 . 1 1 9 9 SER HA H 9 4.859 4.859 4.849 0.010 19617 3888 1 10 . 1 1 9 9 SER CA C 9 55.381 55.381 56.886 -1.505 19617 3889 1 10 . 1 1 9 9 SER CB C 9 64.243 64.243 65.052 -0.809 19617 3890 1 10 . 1 1 9 9 SER H H 9 9.028 9.028 8.509 0.519 19617 3891 1 10 . 1 1 10 10 VAL N N 10 127.508 127.508 125.672 1.836 19617 3892 1 10 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.366 0.685 19617 3893 1 10 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.057 0.855 19617 3894 1 10 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.638 -1.251 19617 3895 1 10 . 1 1 10 10 VAL H H 10 8.911 8.911 8.502 0.409 19617 3896 1 10 . 1 1 11 11 SER N N 11 121.861 121.861 124.972 -3.111 19617 3897 1 10 . 1 1 11 11 SER CB C 11 64.373 64.373 62.615 1.758 19617 3898 1 10 . 1 1 11 11 SER H H 11 9.205 9.205 8.449 0.756 19617 3899 1 10 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.071 0.639 19617 3900 1 10 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.350 -1.451 19617 3901 1 10 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.099 1.990 19617 3902 1 10 . 1 1 13 13 THR N N 13 116.138 116.138 117.927 -1.789 19617 3903 1 10 . 1 1 13 13 THR HA H 13 4.766 4.766 4.395 0.371 19617 3904 1 10 . 1 1 13 13 THR CA C 13 60.153 60.153 61.270 -1.117 19617 3905 1 10 . 1 1 13 13 THR CB C 13 69.426 69.426 70.681 -1.255 19617 3906 1 10 . 1 1 13 13 THR H H 13 8.679 8.679 7.703 0.976 19617 3907 1 10 . 1 1 14 14 ASN N N 14 124.457 124.457 127.400 -2.943 19617 3908 1 10 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.134 -0.437 19617 3909 1 10 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.706 -0.578 19617 3910 1 10 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.993 -2.400 19617 3911 1 10 . 1 1 14 14 ASN H H 14 8.710 8.710 8.916 -0.206 19617 3912 1 10 . 1 1 15 15 SER N N 15 113.672 113.672 118.088 -4.416 19617 3913 1 10 . 1 1 15 15 SER HA H 15 4.651 4.651 4.644 0.007 19617 3914 1 10 . 1 1 15 15 SER CA C 15 55.644 55.644 57.510 -1.866 19617 3915 1 10 . 1 1 15 15 SER CB C 15 63.953 63.953 65.153 -1.200 19617 3916 1 10 . 1 1 15 15 SER H H 15 9.127 9.127 8.684 0.443 19617 3917 1 10 . 1 1 16 16 THR N N 16 113.578 113.578 115.440 -1.862 19617 3918 1 10 . 1 1 16 16 THR HA H 16 4.975 4.975 4.413 0.562 19617 3919 1 10 . 1 1 16 16 THR CA C 16 58.445 58.445 60.625 -2.180 19617 3920 1 10 . 1 1 16 16 THR CB C 16 70.534 70.534 69.802 0.732 19617 3921 1 10 . 1 1 16 16 THR H H 16 7.962 7.962 8.185 -0.223 19617 3922 1 10 . 1 1 17 17 VAL N N 17 121.480 121.480 120.778 0.702 19617 3923 1 10 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.411 -0.089 19617 3924 1 10 . 1 1 17 17 VAL CA C 17 59.937 59.937 58.575 1.362 19617 3925 1 10 . 1 1 17 17 VAL CB C 17 35.404 35.404 34.841 0.563 19617 3926 1 10 . 1 1 17 17 VAL H H 17 7.969 7.969 8.639 -0.670 19617 3927 1 10 . 1 1 18 18 ALA N N 18 126.013 126.013 124.648 1.365 19617 3928 1 10 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.252 -0.077 19617 3929 1 10 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.360 -0.397 19617 3930 1 10 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.512 -0.590 19617 3931 1 10 . 1 1 18 18 ALA H H 18 7.756 7.756 8.174 -0.418 19617 3932 1 10 . 1 1 19 19 LYS N N 19 119.740 119.740 122.767 -3.027 19617 3933 1 10 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.053 -0.564 19617 3934 1 10 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.002 0.770 19617 3935 1 10 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.842 -1.240 19617 3936 1 10 . 1 1 19 19 LYS H H 19 7.892 7.892 8.511 -0.619 19617 3937 1 10 . 1 1 20 20 GLY N N 20 116.706 116.706 113.839 2.867 19617 3938 1 10 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.425 -1.662 19617 3939 1 10 . 1 1 20 20 GLY H H 20 8.615 8.615 8.730 -0.115 19617 3940 1 10 . 1 1 21 21 LEU N N 21 123.004 123.004 123.489 -0.485 19617 3941 1 10 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.554 0.036 19617 3942 1 10 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.854 -1.489 19617 3943 1 10 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.654 -4.692 19617 3944 1 10 . 1 1 21 21 LEU H H 21 8.013 8.013 7.960 0.053 19617 3945 1 10 . 1 1 22 22 GLN N N 22 117.502 117.502 119.096 -1.594 19617 3946 1 10 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.316 -0.190 19617 3947 1 10 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.327 -0.658 19617 3948 1 10 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.377 -0.463 19617 3949 1 10 . 1 1 22 22 GLN H H 22 8.223 8.223 8.289 -0.066 19617 3950 1 10 . 1 1 23 23 GLU N N 23 118.123 118.123 122.991 -4.868 19617 3951 1 10 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.643 -0.081 19617 3952 1 10 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.492 -1.625 19617 3953 1 10 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.519 -0.645 19617 3954 1 10 . 1 1 23 23 GLU H H 23 8.188 8.188 8.739 -0.551 19617 3955 1 10 . 1 1 24 24 ASN N N 24 125.843 125.843 119.428 6.415 19617 3956 1 10 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.472 0.305 19617 3957 1 10 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.008 0.503 19617 3958 1 10 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.385 -0.639 19617 3959 1 10 . 1 1 24 24 ASN H H 24 9.391 9.391 8.393 0.998 19617 3960 1 10 . 1 1 25 25 PHE N N 25 122.822 122.822 119.252 3.570 19617 3961 1 10 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.787 -0.137 19617 3962 1 10 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.368 0.755 19617 3963 1 10 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.452 -2.393 19617 3964 1 10 . 1 1 25 25 PHE H H 25 8.059 8.059 7.528 0.531 19617 3965 1 10 . 1 1 26 26 LYS N N 26 119.114 119.114 119.927 -0.813 19617 3966 1 10 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.717 0.527 19617 3967 1 10 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.470 -2.494 19617 3968 1 10 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.593 0.068 19617 3969 1 10 . 1 1 26 26 LYS H H 26 9.255 9.255 8.812 0.443 19617 3970 1 10 . 1 1 27 27 ALA N N 27 125.586 125.586 127.461 -1.875 19617 3971 1 10 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.231 0.032 19617 3972 1 10 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.192 -2.375 19617 3973 1 10 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.907 -0.747 19617 3974 1 10 . 1 1 27 27 ALA H H 27 9.119 9.119 8.552 0.567 19617 3975 1 10 . 1 1 28 28 THR N N 28 120.628 120.628 120.853 -0.225 19617 3976 1 10 . 1 1 28 28 THR HA H 28 4.843 4.843 4.560 0.283 19617 3977 1 10 . 1 1 28 28 THR CA C 28 60.566 60.566 61.536 -0.970 19617 3978 1 10 . 1 1 28 28 THR CB C 28 69.478 69.478 69.793 -0.316 19617 3979 1 10 . 1 1 28 28 THR H H 28 9.061 9.061 8.302 0.759 19617 3980 1 10 . 1 1 29 29 GLY N N 29 115.787 115.787 114.344 1.443 19617 3981 1 10 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.300 0.016 19617 3982 1 10 . 1 1 29 29 GLY H H 29 9.663 9.663 8.706 0.957 19617 3983 1 10 . 1 1 30 30 ILE N N 30 123.084 123.084 125.742 -2.658 19617 3984 1 10 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.450 0.331 19617 3985 1 10 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.828 -1.440 19617 3986 1 10 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.543 -2.660 19617 3987 1 10 . 1 1 30 30 ILE H H 30 7.914 7.914 8.682 -0.768 19617 3988 1 10 . 1 1 31 31 PHE N N 31 125.209 125.209 125.737 -0.528 19617 3989 1 10 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.819 0.551 19617 3990 1 10 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.313 0.174 19617 3991 1 10 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.221 -0.068 19617 3992 1 10 . 1 1 31 31 PHE H H 31 8.316 8.316 8.840 -0.524 19617 3993 1 10 . 1 1 32 32 THR N N 32 113.843 113.843 115.473 -1.630 19617 3994 1 10 . 1 1 32 32 THR HA H 32 4.409 4.409 4.131 0.278 19617 3995 1 10 . 1 1 32 32 THR CA C 32 64.157 64.157 65.384 -1.227 19617 3996 1 10 . 1 1 32 32 THR CB C 32 68.540 68.540 68.575 -0.035 19617 3997 1 10 . 1 1 32 32 THR H H 32 9.335 9.335 8.792 0.543 19617 3998 1 10 . 1 1 33 33 ASP N N 33 118.799 118.799 121.232 -2.433 19617 3999 1 10 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.584 0.038 19617 4000 1 10 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.259 -1.296 19617 4001 1 10 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.348 -1.854 19617 4002 1 10 . 1 1 33 33 ASP H H 33 7.689 7.689 8.399 -0.710 19617 4003 1 10 . 1 1 34 34 ASN N N 34 112.999 112.999 116.908 -3.909 19617 4004 1 10 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.294 0.056 19617 4005 1 10 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.600 -0.254 19617 4006 1 10 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.455 0.035 19617 4007 1 10 . 1 1 34 34 ASN H H 34 8.370 8.370 8.110 0.260 19617 4008 1 10 . 1 1 35 35 SER N N 35 115.544 115.544 113.807 1.737 19617 4009 1 10 . 1 1 35 35 SER HA H 35 4.410 4.410 4.447 -0.037 19617 4010 1 10 . 1 1 35 35 SER CA C 35 57.882 57.882 58.249 -0.367 19617 4011 1 10 . 1 1 35 35 SER CB C 35 63.770 63.770 64.278 -0.508 19617 4012 1 10 . 1 1 35 35 SER H H 35 7.990 7.990 8.456 -0.466 19617 4013 1 10 . 1 1 36 36 ASN N N 36 116.055 116.055 117.888 -1.833 19617 4014 1 10 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.377 -1.703 19617 4015 1 10 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.868 0.931 19617 4016 1 10 . 1 1 36 36 ASN H H 36 8.518 8.518 7.754 0.764 19617 4017 1 10 . 1 1 37 37 SER N N 37 113.193 113.193 116.081 -2.888 19617 4018 1 10 . 1 1 37 37 SER HA H 37 4.719 4.719 4.451 0.268 19617 4019 1 10 . 1 1 37 37 SER CA C 37 56.801 56.801 56.953 -0.152 19617 4020 1 10 . 1 1 37 37 SER CB C 37 64.872 64.872 65.265 -0.393 19617 4021 1 10 . 1 1 37 37 SER H H 37 8.667 8.667 8.221 0.446 19617 4022 1 10 . 1 1 38 38 ASP N N 38 123.964 123.964 120.761 3.203 19617 4023 1 10 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.697 0.285 19617 4024 1 10 . 1 1 38 38 ASP CA C 38 54.201 54.201 54.674 -0.473 19617 4025 1 10 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.087 -1.159 19617 4026 1 10 . 1 1 38 38 ASP H H 38 8.849 8.849 8.210 0.639 19617 4027 1 10 . 1 1 39 39 ILE N N 39 121.214 121.214 125.446 -4.232 19617 4028 1 10 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.259 0.617 19617 4029 1 10 . 1 1 39 39 ILE CA C 39 59.707 59.707 63.022 -3.315 19617 4030 1 10 . 1 1 39 39 ILE CB C 39 37.086 37.086 38.091 -1.005 19617 4031 1 10 . 1 1 39 39 ILE H H 39 8.816 8.816 7.901 0.915 19617 4032 1 10 . 1 1 40 40 THR N N 40 122.861 122.861 119.199 3.662 19617 4033 1 10 . 1 1 40 40 THR HA H 40 4.289 4.289 4.099 0.190 19617 4034 1 10 . 1 1 40 40 THR CB C 40 68.527 68.527 68.821 -0.294 19617 4035 1 10 . 1 1 40 40 THR H H 40 8.679 8.679 8.123 0.556 19617 4036 1 10 . 1 1 41 41 ASP N N 41 114.076 114.076 119.524 -5.448 19617 4037 1 10 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.694 -0.997 19617 4038 1 10 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.982 -1.504 19617 4039 1 10 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.116 -2.398 19617 4040 1 10 . 1 1 41 41 ASP H H 41 8.539 8.539 8.488 0.051 19617 4041 1 10 . 1 1 42 42 GLN N N 42 117.086 117.086 115.831 1.255 19617 4042 1 10 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.920 0.226 19617 4043 1 10 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.907 -0.371 19617 4044 1 10 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.166 4.050 19617 4045 1 10 . 1 1 42 42 GLN H H 42 7.718 7.718 7.655 0.063 19617 4046 1 10 . 1 1 43 43 VAL N N 43 109.916 109.916 113.999 -4.083 19617 4047 1 10 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.877 0.214 19617 4048 1 10 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.738 -3.898 19617 4049 1 10 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.429 -1.156 19617 4050 1 10 . 1 1 43 43 VAL H H 43 6.902 6.902 7.706 -0.804 19617 4051 1 10 . 1 1 44 44 THR N N 44 116.270 116.270 119.353 -3.083 19617 4052 1 10 . 1 1 44 44 THR HA H 44 4.311 4.311 4.211 0.100 19617 4053 1 10 . 1 1 44 44 THR CA C 44 61.651 61.651 60.835 0.816 19617 4054 1 10 . 1 1 44 44 THR CB C 44 68.890 68.890 68.992 -0.102 19617 4055 1 10 . 1 1 44 44 THR H H 44 8.787 8.787 7.891 0.896 19617 4056 1 10 . 1 1 45 45 TRP N N 45 132.099 132.099 124.724 7.375 19617 4057 1 10 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.639 -0.393 19617 4058 1 10 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.735 0.652 19617 4059 1 10 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.578 -1.501 19617 4060 1 10 . 1 1 45 45 TRP H H 45 10.351 10.351 7.532 2.819 19617 4061 1 10 . 1 1 46 46 ASP N N 46 121.897 121.897 121.622 0.275 19617 4062 1 10 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.148 -0.289 19617 4063 1 10 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.773 -0.976 19617 4064 1 10 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.587 -0.512 19617 4065 1 10 . 1 1 46 46 ASP H H 46 9.471 9.471 8.966 0.505 19617 4066 1 10 . 1 1 47 47 SER N N 47 113.805 113.805 116.967 -3.162 19617 4067 1 10 . 1 1 47 47 SER HA H 47 5.044 5.044 5.063 -0.019 19617 4068 1 10 . 1 1 47 47 SER CA C 47 53.059 53.059 56.788 -3.729 19617 4069 1 10 . 1 1 47 47 SER CB C 47 64.880 64.880 65.279 -0.400 19617 4070 1 10 . 1 1 47 47 SER H H 47 8.502 8.502 8.445 0.057 19617 4071 1 10 . 1 1 48 48 SER N N 48 119.614 119.614 117.896 1.718 19617 4072 1 10 . 1 1 48 48 SER HA H 48 4.281 4.281 4.649 -0.368 19617 4073 1 10 . 1 1 48 48 SER CA C 48 59.404 59.404 57.988 1.416 19617 4074 1 10 . 1 1 48 48 SER CB C 48 62.026 62.026 63.904 -1.878 19617 4075 1 10 . 1 1 48 48 SER H H 48 8.518 8.518 8.361 0.157 19617 4076 1 10 . 1 1 49 49 ASN N N 49 118.260 118.260 116.548 1.712 19617 4077 1 10 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.537 0.358 19617 4078 1 10 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.751 -1.909 19617 4079 1 10 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.454 -0.734 19617 4080 1 10 . 1 1 49 49 ASN H H 49 7.816 7.816 8.649 -0.833 19617 4081 1 10 . 1 1 50 50 THR N N 50 119.289 119.289 113.135 6.154 19617 4082 1 10 . 1 1 50 50 THR HA H 50 4.567 4.567 4.603 -0.036 19617 4083 1 10 . 1 1 50 50 THR CA C 50 62.137 62.137 62.842 -0.705 19617 4084 1 10 . 1 1 50 50 THR CB C 50 67.100 67.100 69.115 -2.015 19617 4085 1 10 . 1 1 50 50 THR H H 50 9.048 9.048 8.414 0.634 19617 4086 1 10 . 1 1 51 51 ASP N N 51 118.825 118.825 122.641 -3.816 19617 4087 1 10 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.752 -0.175 19617 4088 1 10 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.066 -0.376 19617 4089 1 10 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.063 -2.405 19617 4090 1 10 . 1 1 51 51 ASP H H 51 8.251 8.251 8.822 -0.571 19617 4091 1 10 . 1 1 52 52 ILE N N 52 118.410 118.410 117.168 1.242 19617 4092 1 10 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.417 -0.491 19617 4093 1 10 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.772 0.909 19617 4094 1 10 . 1 1 52 52 ILE CB C 52 38.896 38.896 37.935 0.961 19617 4095 1 10 . 1 1 52 52 ILE H H 52 7.169 7.169 7.953 -0.784 19617 4096 1 10 . 1 1 53 53 LEU N N 53 120.129 120.129 124.675 -4.546 19617 4097 1 10 . 1 1 53 53 LEU HA H 53 5.022 5.022 5.216 -0.194 19617 4098 1 10 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.449 -0.168 19617 4099 1 10 . 1 1 53 53 LEU CB C 53 46.405 46.405 42.732 3.673 19617 4100 1 10 . 1 1 53 53 LEU H H 53 7.876 7.876 7.952 -0.076 19617 4101 1 10 . 1 1 54 54 SER N N 54 122.249 122.249 119.457 2.792 19617 4102 1 10 . 1 1 54 54 SER HA H 54 4.954 4.954 4.829 0.125 19617 4103 1 10 . 1 1 54 54 SER CA C 54 54.724 54.724 57.167 -2.443 19617 4104 1 10 . 1 1 54 54 SER CB C 54 64.417 64.417 65.874 -1.458 19617 4105 1 10 . 1 1 54 54 SER H H 54 8.650 8.650 9.029 -0.379 19617 4106 1 10 . 1 1 55 55 ILE N N 55 123.973 123.973 125.623 -1.650 19617 4107 1 10 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.466 0.436 19617 4108 1 10 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.370 -1.502 19617 4109 1 10 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.442 -0.024 19617 4110 1 10 . 1 1 55 55 ILE H H 55 9.081 9.081 8.471 0.610 19617 4111 1 10 . 1 1 56 56 SER N N 56 119.541 119.541 120.921 -1.380 19617 4112 1 10 . 1 1 56 56 SER HA H 56 4.384 4.384 3.644 0.740 19617 4113 1 10 . 1 1 56 56 SER CA C 56 56.626 56.626 56.395 0.231 19617 4114 1 10 . 1 1 56 56 SER CB C 56 63.106 63.106 65.266 -2.160 19617 4115 1 10 . 1 1 56 56 SER H H 56 7.905 7.905 8.508 -0.602 19617 4116 1 10 . 1 1 57 57 ASN N N 57 124.208 124.208 122.002 2.206 19617 4117 1 10 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.810 0.206 19617 4118 1 10 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.013 -0.544 19617 4119 1 10 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.163 -0.072 19617 4120 1 10 . 1 1 57 57 ASN H H 57 8.945 8.945 7.735 1.210 19617 4121 1 10 . 1 1 58 58 ALA N N 58 124.301 124.301 120.967 3.334 19617 4122 1 10 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.788 -0.654 19617 4123 1 10 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.657 -0.370 19617 4124 1 10 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.171 -0.817 19617 4125 1 10 . 1 1 58 58 ALA H H 58 8.150 8.150 7.471 0.679 19617 4126 1 10 . 1 1 59 59 SER N N 59 113.293 113.293 115.120 -1.827 19617 4127 1 10 . 1 1 59 59 SER HA H 59 4.706 4.706 4.234 0.472 19617 4128 1 10 . 1 1 59 59 SER CA C 59 60.003 60.003 60.496 -0.493 19617 4129 1 10 . 1 1 59 59 SER CB C 59 62.574 62.574 63.629 -1.055 19617 4130 1 10 . 1 1 59 59 SER H H 59 8.377 8.377 8.077 0.300 19617 4131 1 10 . 1 1 60 60 ASP N N 60 116.272 116.272 114.979 1.293 19617 4132 1 10 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.562 0.109 19617 4133 1 10 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.937 -2.178 19617 4134 1 10 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.803 -1.091 19617 4135 1 10 . 1 1 60 60 ASP H H 60 8.310 8.310 8.099 0.211 19617 4136 1 10 . 1 1 61 61 SER N N 61 112.651 112.651 110.761 1.890 19617 4137 1 10 . 1 1 61 61 SER HA H 61 4.630 4.630 4.576 0.054 19617 4138 1 10 . 1 1 61 61 SER CA C 61 56.180 56.180 58.406 -2.226 19617 4139 1 10 . 1 1 61 61 SER CB C 61 61.843 61.843 64.196 -2.353 19617 4140 1 10 . 1 1 61 61 SER H H 61 7.588 7.588 7.426 0.162 19617 4141 1 10 . 1 1 62 62 HIS N N 62 119.790 119.790 120.361 -0.571 19617 4142 1 10 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.616 -0.570 19617 4143 1 10 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.741 1.178 19617 4144 1 10 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.898 -2.373 19617 4145 1 10 . 1 1 62 62 HIS H H 62 8.030 8.030 7.820 0.210 19617 4146 1 10 . 1 1 63 63 GLY N N 63 113.297 113.297 109.618 3.679 19617 4147 1 10 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.396 -0.743 19617 4148 1 10 . 1 1 63 63 GLY H H 63 8.733 8.733 8.618 0.115 19617 4149 1 10 . 1 1 64 64 LEU N N 64 120.663 120.663 122.830 -2.167 19617 4150 1 10 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.908 -0.522 19617 4151 1 10 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.861 1.032 19617 4152 1 10 . 1 1 64 64 LEU CB C 64 41.463 41.463 41.833 -0.370 19617 4153 1 10 . 1 1 64 64 LEU H H 64 7.680 7.680 7.995 -0.315 19617 4154 1 10 . 1 1 65 65 ALA N N 65 108.347 108.347 126.663 -18.316 19617 4155 1 10 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.734 0.668 19617 4156 1 10 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.200 -0.933 19617 4157 1 10 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.286 0.269 19617 4158 1 10 . 1 1 65 65 ALA H H 65 9.874 9.874 8.581 1.293 19617 4159 1 10 . 1 1 66 66 SER N N 66 115.950 115.950 120.275 -4.325 19617 4160 1 10 . 1 1 66 66 SER HA H 66 4.906 4.906 5.409 -0.503 19617 4161 1 10 . 1 1 66 66 SER CA C 66 56.645 56.645 56.734 -0.089 19617 4162 1 10 . 1 1 66 66 SER CB C 66 63.823 63.823 65.286 -1.463 19617 4163 1 10 . 1 1 66 66 SER H H 66 8.938 8.938 8.928 0.010 19617 4164 1 10 . 1 1 67 67 THR N N 67 113.595 113.595 117.583 -3.988 19617 4165 1 10 . 1 1 67 67 THR HA H 67 4.649 4.649 5.071 -0.422 19617 4166 1 10 . 1 1 67 67 THR CA C 67 59.216 59.216 61.253 -2.037 19617 4167 1 10 . 1 1 67 67 THR CB C 67 69.006 69.006 72.131 -3.125 19617 4168 1 10 . 1 1 67 67 THR H H 67 8.257 8.257 8.331 -0.074 19617 4169 1 10 . 1 1 68 68 LEU N N 68 124.152 124.152 123.265 0.887 19617 4170 1 10 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.668 -0.306 19617 4171 1 10 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.001 0.112 19617 4172 1 10 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.291 -0.376 19617 4173 1 10 . 1 1 68 68 LEU H H 68 8.616 8.616 8.301 0.315 19617 4174 1 10 . 1 1 69 69 ASN N N 69 115.820 115.820 117.561 -1.741 19617 4175 1 10 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.791 -0.131 19617 4176 1 10 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.258 0.198 19617 4177 1 10 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.233 2.073 19617 4178 1 10 . 1 1 69 69 ASN H H 69 7.965 7.965 7.812 0.153 19617 4179 1 10 . 1 1 70 70 GLN N N 70 114.562 114.562 119.267 -4.705 19617 4180 1 10 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.402 -0.476 19617 4181 1 10 . 1 1 70 70 GLN CA C 70 55.237 55.237 56.000 -0.763 19617 4182 1 10 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.253 -0.247 19617 4183 1 10 . 1 1 70 70 GLN H H 70 8.287 8.287 8.546 -0.259 19617 4184 1 10 . 1 1 71 71 GLY N N 71 108.005 108.005 112.570 -4.565 19617 4185 1 10 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.781 -2.095 19617 4186 1 10 . 1 1 71 71 GLY H H 71 8.520 8.520 8.175 0.345 19617 4187 1 10 . 1 1 72 72 ASN N N 72 117.787 117.787 119.301 -1.514 19617 4188 1 10 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.926 0.547 19617 4189 1 10 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.348 -0.657 19617 4190 1 10 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.533 -1.637 19617 4191 1 10 . 1 1 72 72 ASN H H 72 8.420 8.420 8.295 0.125 19617 4192 1 10 . 1 1 73 73 VAL N N 73 115.846 115.846 119.044 -3.198 19617 4193 1 10 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.393 0.134 19617 4194 1 10 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.474 -2.498 19617 4195 1 10 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.390 -1.211 19617 4196 1 10 . 1 1 73 73 VAL H H 73 8.990 8.990 9.185 -0.195 19617 4197 1 10 . 1 1 74 74 LYS N N 74 123.195 123.195 125.935 -2.740 19617 4198 1 10 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.662 0.492 19617 4199 1 10 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.655 -1.774 19617 4200 1 10 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.392 -0.795 19617 4201 1 10 . 1 1 74 74 LYS H H 74 8.715 8.715 8.592 0.123 19617 4202 1 10 . 1 1 75 75 VAL N N 75 129.521 129.521 128.663 0.858 19617 4203 1 10 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.826 -0.283 19617 4204 1 10 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.754 -0.938 19617 4205 1 10 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.832 -0.349 19617 4206 1 10 . 1 1 75 75 VAL H H 75 8.975 8.975 8.075 0.900 19617 4207 1 10 . 1 1 76 76 THR N N 76 120.544 120.544 123.505 -2.961 19617 4208 1 10 . 1 1 76 76 THR HA H 76 5.067 5.067 4.840 0.227 19617 4209 1 10 . 1 1 76 76 THR CA C 76 59.783 59.783 60.264 -0.480 19617 4210 1 10 . 1 1 76 76 THR CB C 76 70.733 70.733 71.478 -0.745 19617 4211 1 10 . 1 1 76 76 THR H H 76 8.650 8.650 8.747 -0.097 19617 4212 1 10 . 1 1 77 77 ALA N N 77 126.453 126.453 130.030 -3.577 19617 4213 1 10 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.675 -1.295 19617 4214 1 10 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.710 -2.280 19617 4215 1 10 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.467 -1.923 19617 4216 1 10 . 1 1 77 77 ALA H H 77 8.674 8.674 8.747 -0.073 19617 4217 1 10 . 1 1 78 78 SER N N 78 113.566 113.566 117.110 -3.544 19617 4218 1 10 . 1 1 78 78 SER HA H 78 5.377 5.377 4.870 0.507 19617 4219 1 10 . 1 1 78 78 SER CA C 78 56.077 56.077 57.099 -1.022 19617 4220 1 10 . 1 1 78 78 SER CB C 78 65.730 65.730 66.308 -0.578 19617 4221 1 10 . 1 1 78 78 SER H H 78 8.116 8.116 8.650 -0.534 19617 4222 1 10 . 1 1 79 79 ILE N N 79 121.070 121.070 124.353 -3.283 19617 4223 1 10 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.524 -0.376 19617 4224 1 10 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.887 1.237 19617 4225 1 10 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.921 -2.112 19617 4226 1 10 . 1 1 79 79 ILE H H 79 8.446 8.446 7.846 0.600 19617 4227 1 10 . 1 1 80 80 GLY N N 80 117.155 117.155 116.828 0.327 19617 4228 1 10 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.672 -0.666 19617 4229 1 10 . 1 1 80 80 GLY H H 80 8.899 8.899 8.794 0.105 19617 4230 1 10 . 1 1 81 81 GLY N N 81 110.715 110.715 110.279 0.436 19617 4231 1 10 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.931 -0.553 19617 4232 1 10 . 1 1 81 81 GLY H H 81 8.742 8.742 8.137 0.605 19617 4233 1 10 . 1 1 82 82 ILE N N 82 124.113 124.113 122.647 1.466 19617 4234 1 10 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.106 0.096 19617 4235 1 10 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.100 -2.067 19617 4236 1 10 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.781 -1.004 19617 4237 1 10 . 1 1 82 82 ILE H H 82 8.188 8.188 7.794 0.394 19617 4238 1 10 . 1 1 83 83 GLN N N 83 122.453 122.453 121.917 0.536 19617 4239 1 10 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.491 0.905 19617 4240 1 10 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.303 -1.283 19617 4241 1 10 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.830 -0.315 19617 4242 1 10 . 1 1 83 83 GLN H H 83 8.423 8.423 8.274 0.149 19617 4243 1 10 . 1 1 84 84 GLY N N 84 111.436 111.436 107.362 4.074 19617 4244 1 10 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.201 -0.503 19617 4245 1 10 . 1 1 84 84 GLY H H 84 8.931 8.931 9.107 -0.176 19617 4246 1 10 . 1 1 85 85 SER N N 85 113.877 113.877 116.166 -2.289 19617 4247 1 10 . 1 1 85 85 SER HA H 85 5.843 5.843 4.920 0.923 19617 4248 1 10 . 1 1 85 85 SER CA C 85 56.264 56.264 57.687 -1.423 19617 4249 1 10 . 1 1 85 85 SER CB C 85 66.946 66.946 66.427 0.519 19617 4250 1 10 . 1 1 85 85 SER H H 85 8.710 8.710 8.397 0.313 19617 4251 1 10 . 1 1 86 86 THR N N 86 115.389 115.389 117.275 -1.886 19617 4252 1 10 . 1 1 86 86 THR HA H 86 4.772 4.772 4.709 0.063 19617 4253 1 10 . 1 1 86 86 THR CA C 86 60.313 60.313 60.533 -0.220 19617 4254 1 10 . 1 1 86 86 THR CB C 86 69.852 69.852 70.737 -0.885 19617 4255 1 10 . 1 1 86 86 THR H H 86 8.854 8.854 8.827 0.027 19617 4256 1 10 . 1 1 87 87 ASP N N 87 124.622 124.622 123.775 0.847 19617 4257 1 10 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.902 0.536 19617 4258 1 10 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.406 0.390 19617 4259 1 10 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.107 -1.097 19617 4260 1 10 . 1 1 87 87 ASP H H 87 7.953 7.953 8.508 -0.555 19617 4261 1 10 . 1 1 88 88 PHE N N 88 123.577 123.577 123.894 -0.317 19617 4262 1 10 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.471 -0.538 19617 4263 1 10 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.969 0.999 19617 4264 1 10 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.623 -0.739 19617 4265 1 10 . 1 1 88 88 PHE H H 88 9.094 9.094 8.972 0.122 19617 4266 1 10 . 1 1 89 89 LYS N N 89 126.966 126.966 124.110 2.856 19617 4267 1 10 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.720 0.317 19617 4268 1 10 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.468 -1.579 19617 4269 1 10 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.343 -0.674 19617 4270 1 10 . 1 1 89 89 LYS H H 89 7.269 7.269 8.310 -1.041 19617 4271 1 10 . 1 1 90 90 VAL N N 90 126.146 126.146 128.211 -2.065 19617 4272 1 10 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.905 0.103 19617 4273 1 10 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.616 -2.069 19617 4274 1 10 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.396 -1.448 19617 4275 1 10 . 1 1 90 90 VAL H H 90 9.086 9.086 8.339 0.747 19617 4276 1 10 . 1 1 91 91 THR N N 91 120.506 120.506 118.368 2.138 19617 4277 1 10 . 1 1 91 91 THR HA H 91 4.568 4.568 4.796 -0.228 19617 4278 1 10 . 1 1 91 91 THR CA C 91 59.348 59.348 59.884 -0.536 19617 4279 1 10 . 1 1 91 91 THR CB C 91 68.970 68.970 71.436 -2.466 19617 4280 1 10 . 1 1 91 91 THR H H 91 8.757 8.757 7.813 0.944 19617 4281 1 11 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.522 -0.251 19617 4282 1 11 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.022 -1.801 19617 4283 1 11 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.275 -0.859 19617 4284 1 11 . 1 1 3 3 ALA N N 3 123.801 123.801 123.575 0.226 19617 4285 1 11 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.476 -0.270 19617 4286 1 11 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.244 0.151 19617 4287 1 11 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.182 -1.342 19617 4288 1 11 . 1 1 3 3 ALA H H 3 8.647 8.647 8.263 0.384 19617 4289 1 11 . 1 1 4 4 ALA N N 4 124.058 124.058 120.606 3.452 19617 4290 1 11 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.608 0.071 19617 4291 1 11 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.155 -1.133 19617 4292 1 11 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.260 -0.363 19617 4293 1 11 . 1 1 4 4 ALA H H 4 8.239 8.239 8.168 0.071 19617 4294 1 11 . 1 1 5 5 LEU N N 5 124.019 124.019 121.638 2.381 19617 4295 1 11 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.101 -0.729 19617 4296 1 11 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.740 -1.732 19617 4297 1 11 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.175 -0.933 19617 4298 1 11 . 1 1 5 5 LEU H H 5 8.560 8.560 8.545 0.015 19617 4299 1 11 . 1 1 6 6 VAL N N 6 123.358 123.358 116.548 6.810 19617 4300 1 11 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.511 -0.410 19617 4301 1 11 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.478 -0.139 19617 4302 1 11 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.817 -0.869 19617 4303 1 11 . 1 1 6 6 VAL H H 6 9.119 9.119 8.724 0.395 19617 4304 1 11 . 1 1 7 7 SER N N 7 112.139 112.139 112.098 0.041 19617 4305 1 11 . 1 1 7 7 SER HA H 7 4.445 4.445 4.866 -0.421 19617 4306 1 11 . 1 1 7 7 SER CA C 7 56.349 56.349 58.303 -1.954 19617 4307 1 11 . 1 1 7 7 SER CB C 7 64.361 64.361 64.540 -0.178 19617 4308 1 11 . 1 1 7 7 SER H H 7 7.680 7.680 8.052 -0.372 19617 4309 1 11 . 1 1 8 8 ILE N N 8 118.677 118.677 116.867 1.810 19617 4310 1 11 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.653 0.028 19617 4311 1 11 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.905 -0.759 19617 4312 1 11 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.298 -0.624 19617 4313 1 11 . 1 1 8 8 ILE H H 8 8.354 8.354 8.348 0.006 19617 4314 1 11 . 1 1 9 9 SER N N 9 121.319 121.319 118.525 2.794 19617 4315 1 11 . 1 1 9 9 SER HA H 9 4.859 4.859 4.824 0.035 19617 4316 1 11 . 1 1 9 9 SER CA C 9 55.381 55.381 57.362 -1.981 19617 4317 1 11 . 1 1 9 9 SER CB C 9 64.243 64.243 64.345 -0.102 19617 4318 1 11 . 1 1 9 9 SER H H 9 9.028 9.028 8.350 0.678 19617 4319 1 11 . 1 1 10 10 VAL N N 10 127.508 127.508 127.135 0.373 19617 4320 1 11 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.425 0.626 19617 4321 1 11 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.865 0.047 19617 4322 1 11 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.205 0.182 19617 4323 1 11 . 1 1 10 10 VAL H H 10 8.911 8.911 8.729 0.182 19617 4324 1 11 . 1 1 11 11 SER N N 11 121.861 121.861 125.144 -3.283 19617 4325 1 11 . 1 1 11 11 SER CB C 11 64.373 64.373 62.848 1.525 19617 4326 1 11 . 1 1 11 11 SER H H 11 9.205 9.205 8.569 0.636 19617 4327 1 11 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.932 -0.222 19617 4328 1 11 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.780 -1.881 19617 4329 1 11 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.238 1.851 19617 4330 1 11 . 1 1 13 13 THR N N 13 116.138 116.138 111.986 4.152 19617 4331 1 11 . 1 1 13 13 THR HA H 13 4.766 4.766 4.482 0.284 19617 4332 1 11 . 1 1 13 13 THR CA C 13 60.153 60.153 60.501 -0.348 19617 4333 1 11 . 1 1 13 13 THR CB C 13 69.426 69.426 70.160 -0.734 19617 4334 1 11 . 1 1 13 13 THR H H 13 8.679 8.679 8.289 0.390 19617 4335 1 11 . 1 1 14 14 ASN N N 14 124.457 124.457 125.026 -0.569 19617 4336 1 11 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.078 -0.381 19617 4337 1 11 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.640 0.488 19617 4338 1 11 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.211 -2.618 19617 4339 1 11 . 1 1 14 14 ASN H H 14 8.710 8.710 8.856 -0.146 19617 4340 1 11 . 1 1 15 15 SER N N 15 113.672 113.672 117.480 -3.808 19617 4341 1 11 . 1 1 15 15 SER HA H 15 4.651 4.651 4.713 -0.062 19617 4342 1 11 . 1 1 15 15 SER CA C 15 55.644 55.644 57.675 -2.031 19617 4343 1 11 . 1 1 15 15 SER CB C 15 63.953 63.953 65.223 -1.270 19617 4344 1 11 . 1 1 15 15 SER H H 15 9.127 9.127 8.772 0.355 19617 4345 1 11 . 1 1 16 16 THR N N 16 113.578 113.578 112.983 0.595 19617 4346 1 11 . 1 1 16 16 THR HA H 16 4.975 4.975 4.796 0.179 19617 4347 1 11 . 1 1 16 16 THR CA C 16 58.445 58.445 61.159 -2.714 19617 4348 1 11 . 1 1 16 16 THR CB C 16 70.534 70.534 70.323 0.211 19617 4349 1 11 . 1 1 16 16 THR H H 16 7.962 7.962 8.267 -0.305 19617 4350 1 11 . 1 1 17 17 VAL N N 17 121.480 121.480 122.403 -0.923 19617 4351 1 11 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.398 -0.076 19617 4352 1 11 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.781 0.156 19617 4353 1 11 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.097 -0.693 19617 4354 1 11 . 1 1 17 17 VAL H H 17 7.969 7.969 8.293 -0.324 19617 4355 1 11 . 1 1 18 18 ALA N N 18 126.013 126.013 128.455 -2.442 19617 4356 1 11 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.387 -0.212 19617 4357 1 11 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.822 -0.858 19617 4358 1 11 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.568 -0.646 19617 4359 1 11 . 1 1 18 18 ALA H H 18 7.756 7.756 8.331 -0.575 19617 4360 1 11 . 1 1 19 19 LYS N N 19 119.740 119.740 121.954 -2.214 19617 4361 1 11 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.989 -0.500 19617 4362 1 11 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.786 0.986 19617 4363 1 11 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.231 -0.629 19617 4364 1 11 . 1 1 19 19 LYS H H 19 7.892 7.892 8.480 -0.588 19617 4365 1 11 . 1 1 20 20 GLY N N 20 116.706 116.706 111.492 5.214 19617 4366 1 11 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.503 -1.740 19617 4367 1 11 . 1 1 20 20 GLY H H 20 8.615 8.615 8.575 0.040 19617 4368 1 11 . 1 1 21 21 LEU N N 21 123.004 123.004 123.416 -0.412 19617 4369 1 11 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.633 -0.043 19617 4370 1 11 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.208 -0.843 19617 4371 1 11 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.242 -5.280 19617 4372 1 11 . 1 1 21 21 LEU H H 21 8.013 8.013 7.694 0.319 19617 4373 1 11 . 1 1 22 22 GLN N N 22 117.502 117.502 117.792 -0.290 19617 4374 1 11 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.190 -0.064 19617 4375 1 11 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.576 -0.907 19617 4376 1 11 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.229 -0.315 19617 4377 1 11 . 1 1 22 22 GLN H H 22 8.223 8.223 8.329 -0.106 19617 4378 1 11 . 1 1 23 23 GLU N N 23 118.123 118.123 124.269 -6.146 19617 4379 1 11 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.610 -0.048 19617 4380 1 11 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.191 -2.324 19617 4381 1 11 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.611 0.264 19617 4382 1 11 . 1 1 23 23 GLU H H 23 8.188 8.188 8.720 -0.532 19617 4383 1 11 . 1 1 24 24 ASN N N 24 125.843 125.843 122.582 3.261 19617 4384 1 11 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.478 -0.701 19617 4385 1 11 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.839 -0.328 19617 4386 1 11 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.392 0.354 19617 4387 1 11 . 1 1 24 24 ASN H H 24 9.391 9.391 8.619 0.772 19617 4388 1 11 . 1 1 25 25 PHE N N 25 122.822 122.822 121.031 1.791 19617 4389 1 11 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.862 -0.212 19617 4390 1 11 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.834 0.289 19617 4391 1 11 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.927 -4.868 19617 4392 1 11 . 1 1 25 25 PHE H H 25 8.059 8.059 8.600 -0.541 19617 4393 1 11 . 1 1 26 26 LYS N N 26 119.114 119.114 119.665 -0.551 19617 4394 1 11 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.755 0.489 19617 4395 1 11 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.287 -3.311 19617 4396 1 11 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.291 -1.629 19617 4397 1 11 . 1 1 26 26 LYS H H 26 9.255 9.255 8.900 0.355 19617 4398 1 11 . 1 1 27 27 ALA N N 27 125.586 125.586 128.574 -2.988 19617 4399 1 11 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.224 0.039 19617 4400 1 11 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.223 -2.406 19617 4401 1 11 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.348 -1.188 19617 4402 1 11 . 1 1 27 27 ALA H H 27 9.119 9.119 8.416 0.703 19617 4403 1 11 . 1 1 28 28 THR N N 28 120.628 120.628 116.787 3.841 19617 4404 1 11 . 1 1 28 28 THR HA H 28 4.843 4.843 4.645 0.198 19617 4405 1 11 . 1 1 28 28 THR CA C 28 60.566 60.566 60.782 -0.216 19617 4406 1 11 . 1 1 28 28 THR CB C 28 69.478 69.478 69.384 0.094 19617 4407 1 11 . 1 1 28 28 THR H H 28 9.061 9.061 8.181 0.880 19617 4408 1 11 . 1 1 29 29 GLY N N 29 115.787 115.787 113.126 2.661 19617 4409 1 11 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.904 0.412 19617 4410 1 11 . 1 1 29 29 GLY H H 29 9.663 9.663 8.475 1.188 19617 4411 1 11 . 1 1 30 30 ILE N N 30 123.084 123.084 123.985 -0.901 19617 4412 1 11 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.164 0.617 19617 4413 1 11 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.462 -1.074 19617 4414 1 11 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.607 -2.724 19617 4415 1 11 . 1 1 30 30 ILE H H 30 7.914 7.914 8.092 -0.178 19617 4416 1 11 . 1 1 31 31 PHE N N 31 125.209 125.209 125.383 -0.174 19617 4417 1 11 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.995 0.375 19617 4418 1 11 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.501 0.986 19617 4419 1 11 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.336 -0.183 19617 4420 1 11 . 1 1 31 31 PHE H H 31 8.316 8.316 7.999 0.317 19617 4421 1 11 . 1 1 32 32 THR N N 32 113.843 113.843 119.080 -5.237 19617 4422 1 11 . 1 1 32 32 THR HA H 32 4.409 4.409 4.136 0.273 19617 4423 1 11 . 1 1 32 32 THR CA C 32 64.157 64.157 66.047 -1.891 19617 4424 1 11 . 1 1 32 32 THR CB C 32 68.540 68.540 68.764 -0.224 19617 4425 1 11 . 1 1 32 32 THR H H 32 9.335 9.335 8.998 0.337 19617 4426 1 11 . 1 1 33 33 ASP N N 33 118.799 118.799 116.839 1.960 19617 4427 1 11 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.640 -0.018 19617 4428 1 11 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.941 -1.978 19617 4429 1 11 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.842 -2.348 19617 4430 1 11 . 1 1 33 33 ASP H H 33 7.689 7.689 8.400 -0.711 19617 4431 1 11 . 1 1 34 34 ASN N N 34 112.999 112.999 118.134 -5.135 19617 4432 1 11 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.887 -0.537 19617 4433 1 11 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.818 0.528 19617 4434 1 11 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.856 -4.366 19617 4435 1 11 . 1 1 34 34 ASN H H 34 8.370 8.370 7.832 0.538 19617 4436 1 11 . 1 1 35 35 SER N N 35 115.544 115.544 116.768 -1.224 19617 4437 1 11 . 1 1 35 35 SER HA H 35 4.410 4.410 4.410 -0.000 19617 4438 1 11 . 1 1 35 35 SER CA C 35 57.882 57.882 58.455 -0.573 19617 4439 1 11 . 1 1 35 35 SER CB C 35 63.770 63.770 62.459 1.311 19617 4440 1 11 . 1 1 35 35 SER H H 35 7.990 7.990 8.522 -0.532 19617 4441 1 11 . 1 1 36 36 ASN N N 36 116.055 116.055 121.618 -5.563 19617 4442 1 11 . 1 1 36 36 ASN CA C 36 50.674 50.674 51.470 -0.796 19617 4443 1 11 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.016 -0.217 19617 4444 1 11 . 1 1 36 36 ASN H H 36 8.518 8.518 8.040 0.478 19617 4445 1 11 . 1 1 37 37 SER N N 37 113.193 113.193 114.827 -1.634 19617 4446 1 11 . 1 1 37 37 SER HA H 37 4.719 4.719 4.496 0.223 19617 4447 1 11 . 1 1 37 37 SER CA C 37 56.801 56.801 58.138 -1.337 19617 4448 1 11 . 1 1 37 37 SER CB C 37 64.872 64.872 64.836 0.036 19617 4449 1 11 . 1 1 37 37 SER H H 37 8.667 8.667 8.388 0.279 19617 4450 1 11 . 1 1 38 38 ASP N N 38 123.964 123.964 122.003 1.961 19617 4451 1 11 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.702 0.280 19617 4452 1 11 . 1 1 38 38 ASP CA C 38 54.201 54.201 56.094 -1.893 19617 4453 1 11 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.255 -0.326 19617 4454 1 11 . 1 1 38 38 ASP H H 38 8.849 8.849 8.329 0.520 19617 4455 1 11 . 1 1 39 39 ILE N N 39 121.214 121.214 124.000 -2.786 19617 4456 1 11 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.285 0.591 19617 4457 1 11 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.697 -2.990 19617 4458 1 11 . 1 1 39 39 ILE CB C 39 37.086 37.086 39.800 -2.714 19617 4459 1 11 . 1 1 39 39 ILE H H 39 8.816 8.816 8.172 0.644 19617 4460 1 11 . 1 1 40 40 THR N N 40 122.861 122.861 119.307 3.554 19617 4461 1 11 . 1 1 40 40 THR HA H 40 4.289 4.289 4.183 0.106 19617 4462 1 11 . 1 1 40 40 THR CB C 40 68.527 68.527 68.768 -0.241 19617 4463 1 11 . 1 1 40 40 THR H H 40 8.679 8.679 8.096 0.583 19617 4464 1 11 . 1 1 41 41 ASP N N 41 114.076 114.076 119.512 -5.436 19617 4465 1 11 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.845 -1.148 19617 4466 1 11 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.553 -1.075 19617 4467 1 11 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.868 -2.151 19617 4468 1 11 . 1 1 41 41 ASP H H 41 8.539 8.539 8.317 0.222 19617 4469 1 11 . 1 1 42 42 GLN N N 42 117.086 117.086 116.562 0.524 19617 4470 1 11 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.896 0.250 19617 4471 1 11 . 1 1 42 42 GLN CA C 42 55.536 55.536 58.170 -2.634 19617 4472 1 11 . 1 1 42 42 GLN CB C 42 30.216 30.216 28.599 1.617 19617 4473 1 11 . 1 1 42 42 GLN H H 42 7.718 7.718 7.748 -0.030 19617 4474 1 11 . 1 1 43 43 VAL N N 43 109.916 109.916 117.901 -7.985 19617 4475 1 11 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.770 0.321 19617 4476 1 11 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.315 -4.475 19617 4477 1 11 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.404 -0.131 19617 4478 1 11 . 1 1 43 43 VAL H H 43 6.902 6.902 8.087 -1.185 19617 4479 1 11 . 1 1 44 44 THR N N 44 116.270 116.270 120.896 -4.626 19617 4480 1 11 . 1 1 44 44 THR HA H 44 4.311 4.311 4.616 -0.305 19617 4481 1 11 . 1 1 44 44 THR CA C 44 61.651 61.651 62.391 -0.740 19617 4482 1 11 . 1 1 44 44 THR CB C 44 68.890 68.890 69.448 -0.558 19617 4483 1 11 . 1 1 44 44 THR H H 44 8.787 8.787 8.233 0.554 19617 4484 1 11 . 1 1 45 45 TRP N N 45 132.099 132.099 125.866 6.233 19617 4485 1 11 . 1 1 45 45 TRP HA H 45 5.246 5.246 4.765 0.481 19617 4486 1 11 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.769 -1.382 19617 4487 1 11 . 1 1 45 45 TRP CB C 45 30.077 30.077 32.147 -2.070 19617 4488 1 11 . 1 1 45 45 TRP H H 45 10.351 10.351 8.747 1.604 19617 4489 1 11 . 1 1 46 46 ASP N N 46 121.897 121.897 123.341 -1.444 19617 4490 1 11 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.007 -0.148 19617 4491 1 11 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.400 -0.603 19617 4492 1 11 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.078 -0.003 19617 4493 1 11 . 1 1 46 46 ASP H H 46 9.471 9.471 8.457 1.014 19617 4494 1 11 . 1 1 47 47 SER N N 47 113.805 113.805 116.530 -2.725 19617 4495 1 11 . 1 1 47 47 SER HA H 47 5.044 5.044 4.751 0.293 19617 4496 1 11 . 1 1 47 47 SER CA C 47 53.059 53.059 56.809 -3.750 19617 4497 1 11 . 1 1 47 47 SER CB C 47 64.880 64.880 65.200 -0.320 19617 4498 1 11 . 1 1 47 47 SER H H 47 8.502 8.502 8.477 0.025 19617 4499 1 11 . 1 1 48 48 SER N N 48 119.614 119.614 117.834 1.780 19617 4500 1 11 . 1 1 48 48 SER HA H 48 4.281 4.281 4.374 -0.093 19617 4501 1 11 . 1 1 48 48 SER CA C 48 59.404 59.404 59.550 -0.146 19617 4502 1 11 . 1 1 48 48 SER CB C 48 62.026 62.026 63.971 -1.945 19617 4503 1 11 . 1 1 48 48 SER H H 48 8.518 8.518 8.569 -0.051 19617 4504 1 11 . 1 1 49 49 ASN N N 49 118.260 118.260 125.052 -6.792 19617 4505 1 11 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.669 0.226 19617 4506 1 11 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.658 -0.817 19617 4507 1 11 . 1 1 49 49 ASN CB C 49 37.720 37.720 37.627 0.093 19617 4508 1 11 . 1 1 49 49 ASN H H 49 7.816 7.816 8.773 -0.957 19617 4509 1 11 . 1 1 50 50 THR N N 50 119.289 119.289 115.146 4.143 19617 4510 1 11 . 1 1 50 50 THR HA H 50 4.567 4.567 4.517 0.050 19617 4511 1 11 . 1 1 50 50 THR CA C 50 62.137 62.137 60.756 1.381 19617 4512 1 11 . 1 1 50 50 THR CB C 50 67.100 67.100 69.949 -2.849 19617 4513 1 11 . 1 1 50 50 THR H H 50 9.048 9.048 8.028 1.020 19617 4514 1 11 . 1 1 51 51 ASP N N 51 118.825 118.825 121.298 -2.473 19617 4515 1 11 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.417 0.160 19617 4516 1 11 . 1 1 51 51 ASP CA C 51 54.690 54.690 56.721 -2.031 19617 4517 1 11 . 1 1 51 51 ASP CB C 51 39.658 39.658 40.789 -1.131 19617 4518 1 11 . 1 1 51 51 ASP H H 51 8.251 8.251 8.683 -0.432 19617 4519 1 11 . 1 1 52 52 ILE N N 52 118.410 118.410 118.606 -0.196 19617 4520 1 11 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.315 -0.389 19617 4521 1 11 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.830 0.851 19617 4522 1 11 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.060 -0.164 19617 4523 1 11 . 1 1 52 52 ILE H H 52 7.169 7.169 7.967 -0.798 19617 4524 1 11 . 1 1 53 53 LEU N N 53 120.129 120.129 129.480 -9.351 19617 4525 1 11 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.935 0.087 19617 4526 1 11 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.850 -0.569 19617 4527 1 11 . 1 1 53 53 LEU CB C 53 46.405 46.405 43.999 2.406 19617 4528 1 11 . 1 1 53 53 LEU H H 53 7.876 7.876 8.325 -0.449 19617 4529 1 11 . 1 1 54 54 SER N N 54 122.249 122.249 118.984 3.265 19617 4530 1 11 . 1 1 54 54 SER HA H 54 4.954 4.954 4.819 0.135 19617 4531 1 11 . 1 1 54 54 SER CA C 54 54.724 54.724 56.840 -2.116 19617 4532 1 11 . 1 1 54 54 SER CB C 54 64.417 64.417 65.662 -1.245 19617 4533 1 11 . 1 1 54 54 SER H H 54 8.650 8.650 8.950 -0.300 19617 4534 1 11 . 1 1 55 55 ILE N N 55 123.973 123.973 121.350 2.623 19617 4535 1 11 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.515 0.387 19617 4536 1 11 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.265 -0.397 19617 4537 1 11 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.274 2.144 19617 4538 1 11 . 1 1 55 55 ILE H H 55 9.081 9.081 8.391 0.690 19617 4539 1 11 . 1 1 56 56 SER N N 56 119.541 119.541 121.883 -2.342 19617 4540 1 11 . 1 1 56 56 SER HA H 56 4.384 4.384 4.667 -0.283 19617 4541 1 11 . 1 1 56 56 SER CA C 56 56.626 56.626 57.457 -0.831 19617 4542 1 11 . 1 1 56 56 SER CB C 56 63.106 63.106 65.310 -2.204 19617 4543 1 11 . 1 1 56 56 SER H H 56 7.905 7.905 8.067 -0.162 19617 4544 1 11 . 1 1 57 57 ASN N N 57 124.208 124.208 122.039 2.169 19617 4545 1 11 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.535 0.481 19617 4546 1 11 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.186 -0.717 19617 4547 1 11 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.167 0.923 19617 4548 1 11 . 1 1 57 57 ASN H H 57 8.945 8.945 8.734 0.211 19617 4549 1 11 . 1 1 58 58 ALA N N 58 124.301 124.301 121.870 2.431 19617 4550 1 11 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.518 -0.384 19617 4551 1 11 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.029 -0.742 19617 4552 1 11 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.616 -1.262 19617 4553 1 11 . 1 1 58 58 ALA H H 58 8.150 8.150 7.625 0.525 19617 4554 1 11 . 1 1 59 59 SER N N 59 113.293 113.293 114.262 -0.969 19617 4555 1 11 . 1 1 59 59 SER HA H 59 4.706 4.706 4.242 0.464 19617 4556 1 11 . 1 1 59 59 SER CA C 59 60.003 60.003 60.358 -0.354 19617 4557 1 11 . 1 1 59 59 SER CB C 59 62.574 62.574 63.345 -0.771 19617 4558 1 11 . 1 1 59 59 SER H H 59 8.377 8.377 8.105 0.272 19617 4559 1 11 . 1 1 60 60 ASP N N 60 116.272 116.272 115.302 0.970 19617 4560 1 11 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.702 -0.031 19617 4561 1 11 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.278 -0.519 19617 4562 1 11 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.413 -1.701 19617 4563 1 11 . 1 1 60 60 ASP H H 60 8.310 8.310 7.576 0.734 19617 4564 1 11 . 1 1 61 61 SER N N 61 112.651 112.651 116.388 -3.737 19617 4565 1 11 . 1 1 61 61 SER HA H 61 4.630 4.630 4.342 0.288 19617 4566 1 11 . 1 1 61 61 SER CA C 61 56.180 56.180 60.570 -4.390 19617 4567 1 11 . 1 1 61 61 SER CB C 61 61.843 61.843 63.740 -1.897 19617 4568 1 11 . 1 1 61 61 SER H H 61 7.588 7.588 8.474 -0.886 19617 4569 1 11 . 1 1 62 62 HIS N N 62 119.790 119.790 118.114 1.676 19617 4570 1 11 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.632 -0.586 19617 4571 1 11 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.931 0.988 19617 4572 1 11 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.207 -2.683 19617 4573 1 11 . 1 1 62 62 HIS H H 62 8.030 8.030 7.993 0.037 19617 4574 1 11 . 1 1 63 63 GLY N N 63 113.297 113.297 107.737 5.560 19617 4575 1 11 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.481 0.172 19617 4576 1 11 . 1 1 63 63 GLY H H 63 8.733 8.733 8.453 0.280 19617 4577 1 11 . 1 1 64 64 LEU N N 64 120.663 120.663 121.403 -0.740 19617 4578 1 11 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.212 -0.826 19617 4579 1 11 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.367 1.526 19617 4580 1 11 . 1 1 64 64 LEU CB C 64 41.463 41.463 41.522 -0.059 19617 4581 1 11 . 1 1 64 64 LEU H H 64 7.680 7.680 8.260 -0.580 19617 4582 1 11 . 1 1 65 65 ALA N N 65 108.347 108.347 127.068 -18.721 19617 4583 1 11 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.569 0.833 19617 4584 1 11 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.251 -1.984 19617 4585 1 11 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.280 1.275 19617 4586 1 11 . 1 1 65 65 ALA H H 65 9.874 9.874 8.994 0.880 19617 4587 1 11 . 1 1 66 66 SER N N 66 115.950 115.950 120.716 -4.766 19617 4588 1 11 . 1 1 66 66 SER HA H 66 4.906 4.906 5.276 -0.370 19617 4589 1 11 . 1 1 66 66 SER CA C 66 56.645 56.645 56.980 -0.334 19617 4590 1 11 . 1 1 66 66 SER CB C 66 63.823 63.823 64.460 -0.637 19617 4591 1 11 . 1 1 66 66 SER H H 66 8.938 8.938 8.676 0.262 19617 4592 1 11 . 1 1 67 67 THR N N 67 113.595 113.595 122.796 -9.201 19617 4593 1 11 . 1 1 67 67 THR HA H 67 4.649 4.649 4.684 -0.035 19617 4594 1 11 . 1 1 67 67 THR CA C 67 59.216 59.216 61.130 -1.914 19617 4595 1 11 . 1 1 67 67 THR CB C 67 69.006 69.006 70.808 -1.802 19617 4596 1 11 . 1 1 67 67 THR H H 67 8.257 8.257 8.116 0.141 19617 4597 1 11 . 1 1 68 68 LEU N N 68 124.152 124.152 129.535 -5.383 19617 4598 1 11 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.838 -0.476 19617 4599 1 11 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.722 0.390 19617 4600 1 11 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.202 -0.286 19617 4601 1 11 . 1 1 68 68 LEU H H 68 8.616 8.616 8.162 0.454 19617 4602 1 11 . 1 1 69 69 ASN N N 69 115.820 115.820 118.219 -2.399 19617 4603 1 11 . 1 1 69 69 ASN HA H 69 4.660 4.660 5.045 -0.385 19617 4604 1 11 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.650 -0.194 19617 4605 1 11 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.493 0.813 19617 4606 1 11 . 1 1 69 69 ASN H H 69 7.965 7.965 7.810 0.155 19617 4607 1 11 . 1 1 70 70 GLN N N 70 114.562 114.562 119.544 -4.982 19617 4608 1 11 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.416 -0.490 19617 4609 1 11 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.722 -0.485 19617 4610 1 11 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.923 0.083 19617 4611 1 11 . 1 1 70 70 GLN H H 70 8.287 8.287 8.653 -0.366 19617 4612 1 11 . 1 1 71 71 GLY N N 71 108.005 108.005 110.543 -2.538 19617 4613 1 11 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.815 -2.129 19617 4614 1 11 . 1 1 71 71 GLY H H 71 8.520 8.520 8.200 0.320 19617 4615 1 11 . 1 1 72 72 ASN N N 72 117.787 117.787 120.885 -3.098 19617 4616 1 11 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.027 0.446 19617 4617 1 11 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.436 -0.745 19617 4618 1 11 . 1 1 72 72 ASN CB C 72 39.896 39.896 42.118 -2.222 19617 4619 1 11 . 1 1 72 72 ASN H H 72 8.420 8.420 8.408 0.012 19617 4620 1 11 . 1 1 73 73 VAL N N 73 115.846 115.846 112.565 3.281 19617 4621 1 11 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.571 -0.044 19617 4622 1 11 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.955 -0.980 19617 4623 1 11 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.510 -0.331 19617 4624 1 11 . 1 1 73 73 VAL H H 73 8.990 8.990 9.227 -0.237 19617 4625 1 11 . 1 1 74 74 LYS N N 74 123.195 123.195 125.669 -2.474 19617 4626 1 11 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.666 0.488 19617 4627 1 11 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.309 -0.428 19617 4628 1 11 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.317 -0.720 19617 4629 1 11 . 1 1 74 74 LYS H H 74 8.715 8.715 7.985 0.730 19617 4630 1 11 . 1 1 75 75 VAL N N 75 129.521 129.521 127.631 1.890 19617 4631 1 11 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.504 0.039 19617 4632 1 11 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.861 -1.045 19617 4633 1 11 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.537 -0.054 19617 4634 1 11 . 1 1 75 75 VAL H H 75 8.975 8.975 8.142 0.833 19617 4635 1 11 . 1 1 76 76 THR N N 76 120.544 120.544 119.428 1.116 19617 4636 1 11 . 1 1 76 76 THR HA H 76 5.067 5.067 4.629 0.438 19617 4637 1 11 . 1 1 76 76 THR CA C 76 59.783 59.783 59.663 0.120 19617 4638 1 11 . 1 1 76 76 THR CB C 76 70.733 70.733 70.883 -0.150 19617 4639 1 11 . 1 1 76 76 THR H H 76 8.650 8.650 8.292 0.358 19617 4640 1 11 . 1 1 77 77 ALA N N 77 126.453 126.453 127.097 -0.644 19617 4641 1 11 . 1 1 77 77 ALA HA H 77 4.380 4.380 4.727 -0.347 19617 4642 1 11 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.385 -1.955 19617 4643 1 11 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.940 -1.396 19617 4644 1 11 . 1 1 77 77 ALA H H 77 8.674 8.674 8.355 0.319 19617 4645 1 11 . 1 1 78 78 SER N N 78 113.566 113.566 114.368 -0.802 19617 4646 1 11 . 1 1 78 78 SER HA H 78 5.377 5.377 4.819 0.558 19617 4647 1 11 . 1 1 78 78 SER CA C 78 56.077 56.077 57.500 -1.423 19617 4648 1 11 . 1 1 78 78 SER CB C 78 65.730 65.730 66.523 -0.793 19617 4649 1 11 . 1 1 78 78 SER H H 78 8.116 8.116 8.032 0.084 19617 4650 1 11 . 1 1 79 79 ILE N N 79 121.070 121.070 125.694 -4.624 19617 4651 1 11 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.473 -0.325 19617 4652 1 11 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.594 1.530 19617 4653 1 11 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.188 -1.379 19617 4654 1 11 . 1 1 79 79 ILE H H 79 8.446 8.446 7.681 0.765 19617 4655 1 11 . 1 1 80 80 GLY N N 80 117.155 117.155 115.734 1.421 19617 4656 1 11 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.122 -0.116 19617 4657 1 11 . 1 1 80 80 GLY H H 80 8.899 8.899 8.563 0.336 19617 4658 1 11 . 1 1 81 81 GLY N N 81 110.715 110.715 111.108 -0.393 19617 4659 1 11 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.765 -0.387 19617 4660 1 11 . 1 1 81 81 GLY H H 81 8.742 8.742 8.371 0.371 19617 4661 1 11 . 1 1 82 82 ILE N N 82 124.113 124.113 120.823 3.290 19617 4662 1 11 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.003 0.199 19617 4663 1 11 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.769 -1.736 19617 4664 1 11 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.831 -1.054 19617 4665 1 11 . 1 1 82 82 ILE H H 82 8.188 8.188 8.045 0.143 19617 4666 1 11 . 1 1 83 83 GLN N N 83 122.453 122.453 123.100 -0.647 19617 4667 1 11 . 1 1 83 83 GLN HA H 83 5.396 5.396 5.030 0.366 19617 4668 1 11 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.924 -0.904 19617 4669 1 11 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.250 0.265 19617 4670 1 11 . 1 1 83 83 GLN H H 83 8.423 8.423 8.251 0.172 19617 4671 1 11 . 1 1 84 84 GLY N N 84 111.436 111.436 107.830 3.606 19617 4672 1 11 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.014 -0.316 19617 4673 1 11 . 1 1 84 84 GLY H H 84 8.931 8.931 8.676 0.255 19617 4674 1 11 . 1 1 85 85 SER N N 85 113.877 113.877 116.536 -2.659 19617 4675 1 11 . 1 1 85 85 SER HA H 85 5.843 5.843 4.844 0.999 19617 4676 1 11 . 1 1 85 85 SER CA C 85 56.264 56.264 57.089 -0.825 19617 4677 1 11 . 1 1 85 85 SER CB C 85 66.946 66.946 66.130 0.816 19617 4678 1 11 . 1 1 85 85 SER H H 85 8.710 8.710 8.277 0.433 19617 4679 1 11 . 1 1 86 86 THR N N 86 115.389 115.389 117.272 -1.883 19617 4680 1 11 . 1 1 86 86 THR HA H 86 4.772 4.772 4.552 0.220 19617 4681 1 11 . 1 1 86 86 THR CA C 86 60.313 60.313 60.068 0.245 19617 4682 1 11 . 1 1 86 86 THR CB C 86 69.852 69.852 70.403 -0.552 19617 4683 1 11 . 1 1 86 86 THR H H 86 8.854 8.854 8.528 0.326 19617 4684 1 11 . 1 1 87 87 ASP N N 87 124.622 124.622 124.439 0.183 19617 4685 1 11 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.730 0.708 19617 4686 1 11 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.310 0.486 19617 4687 1 11 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.863 -0.853 19617 4688 1 11 . 1 1 87 87 ASP H H 87 7.953 7.953 8.084 -0.131 19617 4689 1 11 . 1 1 88 88 PHE N N 88 123.577 123.577 124.561 -0.984 19617 4690 1 11 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.489 -0.556 19617 4691 1 11 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.659 1.309 19617 4692 1 11 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.154 0.730 19617 4693 1 11 . 1 1 88 88 PHE H H 88 9.094 9.094 8.848 0.246 19617 4694 1 11 . 1 1 89 89 LYS N N 89 126.966 126.966 125.469 1.497 19617 4695 1 11 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.742 0.295 19617 4696 1 11 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.365 -1.476 19617 4697 1 11 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.437 0.232 19617 4698 1 11 . 1 1 89 89 LYS H H 89 7.269 7.269 8.421 -1.152 19617 4699 1 11 . 1 1 90 90 VAL N N 90 126.146 126.146 128.529 -2.383 19617 4700 1 11 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.913 0.095 19617 4701 1 11 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.345 -1.798 19617 4702 1 11 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.979 -1.031 19617 4703 1 11 . 1 1 90 90 VAL H H 90 9.086 9.086 8.182 0.904 19617 4704 1 11 . 1 1 91 91 THR N N 91 120.506 120.506 119.791 0.715 19617 4705 1 11 . 1 1 91 91 THR HA H 91 4.568 4.568 4.773 -0.205 19617 4706 1 11 . 1 1 91 91 THR CA C 91 59.348 59.348 59.669 -0.320 19617 4707 1 11 . 1 1 91 91 THR CB C 91 68.970 68.970 71.441 -2.471 19617 4708 1 11 . 1 1 91 91 THR H H 91 8.757 8.757 8.087 0.670 19617 4709 1 12 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.451 -0.180 19617 4710 1 12 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.188 -1.967 19617 4711 1 12 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.106 -0.690 19617 4712 1 12 . 1 1 3 3 ALA N N 3 123.801 123.801 120.570 3.231 19617 4713 1 12 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.100 0.106 19617 4714 1 12 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.619 -1.224 19617 4715 1 12 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.120 0.720 19617 4716 1 12 . 1 1 3 3 ALA H H 3 8.647 8.647 8.526 0.121 19617 4717 1 12 . 1 1 4 4 ALA N N 4 124.058 124.058 121.039 3.019 19617 4718 1 12 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.221 0.458 19617 4719 1 12 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.589 -1.567 19617 4720 1 12 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.063 0.834 19617 4721 1 12 . 1 1 4 4 ALA H H 4 8.239 8.239 8.025 0.214 19617 4722 1 12 . 1 1 5 5 LEU N N 5 124.019 124.019 125.112 -1.093 19617 4723 1 12 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.956 -0.584 19617 4724 1 12 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.597 -1.589 19617 4725 1 12 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.943 -0.701 19617 4726 1 12 . 1 1 5 5 LEU H H 5 8.560 8.560 8.555 0.005 19617 4727 1 12 . 1 1 6 6 VAL N N 6 123.358 123.358 116.133 7.225 19617 4728 1 12 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.398 -0.297 19617 4729 1 12 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.457 -0.117 19617 4730 1 12 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.781 -0.833 19617 4731 1 12 . 1 1 6 6 VAL H H 6 9.119 9.119 8.819 0.300 19617 4732 1 12 . 1 1 7 7 SER N N 7 112.139 112.139 112.691 -0.552 19617 4733 1 12 . 1 1 7 7 SER HA H 7 4.445 4.445 4.777 -0.332 19617 4734 1 12 . 1 1 7 7 SER CA C 7 56.349 56.349 58.072 -1.723 19617 4735 1 12 . 1 1 7 7 SER CB C 7 64.361 64.361 65.213 -0.852 19617 4736 1 12 . 1 1 7 7 SER H H 7 7.680 7.680 7.931 -0.251 19617 4737 1 12 . 1 1 8 8 ILE N N 8 118.677 118.677 119.743 -1.066 19617 4738 1 12 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.541 0.140 19617 4739 1 12 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.827 -1.681 19617 4740 1 12 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.707 -1.033 19617 4741 1 12 . 1 1 8 8 ILE H H 8 8.354 8.354 8.437 -0.083 19617 4742 1 12 . 1 1 9 9 SER N N 9 121.319 121.319 120.227 1.092 19617 4743 1 12 . 1 1 9 9 SER HA H 9 4.859 4.859 4.783 0.076 19617 4744 1 12 . 1 1 9 9 SER CA C 9 55.381 55.381 57.627 -2.247 19617 4745 1 12 . 1 1 9 9 SER CB C 9 64.243 64.243 64.398 -0.155 19617 4746 1 12 . 1 1 9 9 SER H H 9 9.028 9.028 8.269 0.759 19617 4747 1 12 . 1 1 10 10 VAL N N 10 127.508 127.508 126.057 1.451 19617 4748 1 12 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.281 0.770 19617 4749 1 12 . 1 1 10 10 VAL CA C 10 60.912 60.912 61.478 -0.566 19617 4750 1 12 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.299 0.088 19617 4751 1 12 . 1 1 10 10 VAL H H 10 8.911 8.911 8.604 0.307 19617 4752 1 12 . 1 1 11 11 SER N N 11 121.861 121.861 124.837 -2.976 19617 4753 1 12 . 1 1 11 11 SER CB C 11 64.373 64.373 62.828 1.545 19617 4754 1 12 . 1 1 11 11 SER H H 11 9.205 9.205 8.540 0.665 19617 4755 1 12 . 1 1 12 12 PRO HA H 12 4.710 4.710 5.046 -0.336 19617 4756 1 12 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.750 -1.851 19617 4757 1 12 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.463 1.626 19617 4758 1 12 . 1 1 13 13 THR N N 13 116.138 116.138 114.428 1.710 19617 4759 1 12 . 1 1 13 13 THR HA H 13 4.766 4.766 4.557 0.209 19617 4760 1 12 . 1 1 13 13 THR CA C 13 60.153 60.153 59.981 0.172 19617 4761 1 12 . 1 1 13 13 THR CB C 13 69.426 69.426 69.515 -0.089 19617 4762 1 12 . 1 1 13 13 THR H H 13 8.679 8.679 8.522 0.157 19617 4763 1 12 . 1 1 14 14 ASN N N 14 124.457 124.457 125.543 -1.086 19617 4764 1 12 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.312 -0.615 19617 4765 1 12 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.840 0.288 19617 4766 1 12 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.650 -2.057 19617 4767 1 12 . 1 1 14 14 ASN H H 14 8.710 8.710 8.989 -0.279 19617 4768 1 12 . 1 1 15 15 SER N N 15 113.672 113.672 117.013 -3.341 19617 4769 1 12 . 1 1 15 15 SER HA H 15 4.651 4.651 4.810 -0.159 19617 4770 1 12 . 1 1 15 15 SER CA C 15 55.644 55.644 57.145 -1.502 19617 4771 1 12 . 1 1 15 15 SER CB C 15 63.953 63.953 64.500 -0.547 19617 4772 1 12 . 1 1 15 15 SER H H 15 9.127 9.127 8.378 0.749 19617 4773 1 12 . 1 1 16 16 THR N N 16 113.578 113.578 113.522 0.056 19617 4774 1 12 . 1 1 16 16 THR HA H 16 4.975 4.975 4.755 0.220 19617 4775 1 12 . 1 1 16 16 THR CA C 16 58.445 58.445 60.361 -1.915 19617 4776 1 12 . 1 1 16 16 THR CB C 16 70.534 70.534 70.836 -0.302 19617 4777 1 12 . 1 1 16 16 THR H H 16 7.962 7.962 8.158 -0.196 19617 4778 1 12 . 1 1 17 17 VAL N N 17 121.480 121.480 115.382 6.098 19617 4779 1 12 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.471 -0.149 19617 4780 1 12 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.744 0.193 19617 4781 1 12 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.330 0.074 19617 4782 1 12 . 1 1 17 17 VAL H H 17 7.969 7.969 8.781 -0.812 19617 4783 1 12 . 1 1 18 18 ALA N N 18 126.013 126.013 125.029 0.984 19617 4784 1 12 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.288 -0.113 19617 4785 1 12 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.999 -1.036 19617 4786 1 12 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.517 -0.595 19617 4787 1 12 . 1 1 18 18 ALA H H 18 7.756 7.756 8.287 -0.531 19617 4788 1 12 . 1 1 19 19 LYS N N 19 119.740 119.740 122.859 -3.119 19617 4789 1 12 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.958 -0.469 19617 4790 1 12 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.086 0.686 19617 4791 1 12 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.390 -0.788 19617 4792 1 12 . 1 1 19 19 LYS H H 19 7.892 7.892 8.442 -0.550 19617 4793 1 12 . 1 1 20 20 GLY N N 20 116.706 116.706 113.911 2.795 19617 4794 1 12 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.876 -2.112 19617 4795 1 12 . 1 1 20 20 GLY H H 20 8.615 8.615 8.411 0.204 19617 4796 1 12 . 1 1 21 21 LEU N N 21 123.004 123.004 123.381 -0.377 19617 4797 1 12 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.651 -0.061 19617 4798 1 12 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.821 -0.456 19617 4799 1 12 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.022 -5.060 19617 4800 1 12 . 1 1 21 21 LEU H H 21 8.013 8.013 7.849 0.164 19617 4801 1 12 . 1 1 22 22 GLN N N 22 117.502 117.502 118.227 -0.725 19617 4802 1 12 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.053 0.073 19617 4803 1 12 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.657 -0.988 19617 4804 1 12 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.718 -0.804 19617 4805 1 12 . 1 1 22 22 GLN H H 22 8.223 8.223 8.216 0.007 19617 4806 1 12 . 1 1 23 23 GLU N N 23 118.123 118.123 124.352 -6.229 19617 4807 1 12 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.798 -0.236 19617 4808 1 12 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.726 -1.859 19617 4809 1 12 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.972 -1.098 19617 4810 1 12 . 1 1 23 23 GLU H H 23 8.188 8.188 8.877 -0.689 19617 4811 1 12 . 1 1 24 24 ASN N N 24 125.843 125.843 120.573 5.270 19617 4812 1 12 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.447 -0.670 19617 4813 1 12 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.492 0.019 19617 4814 1 12 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.867 -0.121 19617 4815 1 12 . 1 1 24 24 ASN H H 24 9.391 9.391 8.661 0.730 19617 4816 1 12 . 1 1 25 25 PHE N N 25 122.822 122.822 120.120 2.702 19617 4817 1 12 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.832 -0.182 19617 4818 1 12 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.601 0.522 19617 4819 1 12 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.564 -4.505 19617 4820 1 12 . 1 1 25 25 PHE H H 25 8.059 8.059 8.485 -0.426 19617 4821 1 12 . 1 1 26 26 LYS N N 26 119.114 119.114 120.501 -1.387 19617 4822 1 12 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.757 0.487 19617 4823 1 12 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.338 -3.362 19617 4824 1 12 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.767 -1.106 19617 4825 1 12 . 1 1 26 26 LYS H H 26 9.255 9.255 8.972 0.283 19617 4826 1 12 . 1 1 27 27 ALA N N 27 125.586 125.586 129.627 -4.041 19617 4827 1 12 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.329 -0.066 19617 4828 1 12 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.061 -2.244 19617 4829 1 12 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.322 -1.162 19617 4830 1 12 . 1 1 27 27 ALA H H 27 9.119 9.119 8.568 0.551 19617 4831 1 12 . 1 1 28 28 THR N N 28 120.628 120.628 116.729 3.899 19617 4832 1 12 . 1 1 28 28 THR HA H 28 4.843 4.843 4.630 0.213 19617 4833 1 12 . 1 1 28 28 THR CA C 28 60.566 60.566 60.219 0.347 19617 4834 1 12 . 1 1 28 28 THR CB C 28 69.478 69.478 69.036 0.442 19617 4835 1 12 . 1 1 28 28 THR H H 28 9.061 9.061 7.930 1.131 19617 4836 1 12 . 1 1 29 29 GLY N N 29 115.787 115.787 113.129 2.658 19617 4837 1 12 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.875 0.441 19617 4838 1 12 . 1 1 29 29 GLY H H 29 9.663 9.663 8.033 1.630 19617 4839 1 12 . 1 1 30 30 ILE N N 30 123.084 123.084 125.592 -2.508 19617 4840 1 12 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.091 0.690 19617 4841 1 12 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.027 0.361 19617 4842 1 12 . 1 1 30 30 ILE CB C 30 36.883 36.883 36.038 0.845 19617 4843 1 12 . 1 1 30 30 ILE H H 30 7.914 7.914 8.183 -0.269 19617 4844 1 12 . 1 1 31 31 PHE N N 31 125.209 125.209 125.171 0.038 19617 4845 1 12 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.941 0.429 19617 4846 1 12 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.113 1.374 19617 4847 1 12 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.468 -0.315 19617 4848 1 12 . 1 1 31 31 PHE H H 31 8.316 8.316 7.769 0.547 19617 4849 1 12 . 1 1 32 32 THR N N 32 113.843 113.843 116.789 -2.946 19617 4850 1 12 . 1 1 32 32 THR HA H 32 4.409 4.409 4.146 0.263 19617 4851 1 12 . 1 1 32 32 THR CA C 32 64.157 64.157 65.153 -0.996 19617 4852 1 12 . 1 1 32 32 THR CB C 32 68.540 68.540 68.744 -0.204 19617 4853 1 12 . 1 1 32 32 THR H H 32 9.335 9.335 8.440 0.895 19617 4854 1 12 . 1 1 33 33 ASP N N 33 118.799 118.799 120.295 -1.496 19617 4855 1 12 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.701 -0.079 19617 4856 1 12 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.573 -1.610 19617 4857 1 12 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.463 -1.969 19617 4858 1 12 . 1 1 33 33 ASP H H 33 7.689 7.689 8.118 -0.429 19617 4859 1 12 . 1 1 34 34 ASN N N 34 112.999 112.999 116.314 -3.315 19617 4860 1 12 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.403 -0.053 19617 4861 1 12 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.911 0.435 19617 4862 1 12 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.707 -0.217 19617 4863 1 12 . 1 1 34 34 ASN H H 34 8.370 8.370 7.697 0.673 19617 4864 1 12 . 1 1 35 35 SER N N 35 115.544 115.544 112.385 3.159 19617 4865 1 12 . 1 1 35 35 SER HA H 35 4.410 4.410 3.920 0.490 19617 4866 1 12 . 1 1 35 35 SER CA C 35 57.882 57.882 59.049 -1.167 19617 4867 1 12 . 1 1 35 35 SER CB C 35 63.770 63.770 63.037 0.733 19617 4868 1 12 . 1 1 35 35 SER H H 35 7.990 7.990 8.128 -0.138 19617 4869 1 12 . 1 1 36 36 ASN N N 36 116.055 116.055 122.491 -6.436 19617 4870 1 12 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.691 -2.017 19617 4871 1 12 . 1 1 36 36 ASN CB C 36 41.799 41.799 41.905 -0.106 19617 4872 1 12 . 1 1 36 36 ASN H H 36 8.518 8.518 7.736 0.782 19617 4873 1 12 . 1 1 37 37 SER N N 37 113.193 113.193 114.865 -1.672 19617 4874 1 12 . 1 1 37 37 SER HA H 37 4.719 4.719 4.487 0.232 19617 4875 1 12 . 1 1 37 37 SER CA C 37 56.801 56.801 58.246 -1.446 19617 4876 1 12 . 1 1 37 37 SER CB C 37 64.872 64.872 65.163 -0.291 19617 4877 1 12 . 1 1 37 37 SER H H 37 8.667 8.667 8.486 0.181 19617 4878 1 12 . 1 1 38 38 ASP N N 38 123.964 123.964 122.900 1.064 19617 4879 1 12 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.684 0.298 19617 4880 1 12 . 1 1 38 38 ASP CA C 38 54.201 54.201 56.050 -1.849 19617 4881 1 12 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.804 -0.875 19617 4882 1 12 . 1 1 38 38 ASP H H 38 8.849 8.849 8.518 0.331 19617 4883 1 12 . 1 1 39 39 ILE N N 39 121.214 121.214 125.501 -4.287 19617 4884 1 12 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.256 0.620 19617 4885 1 12 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.556 -2.849 19617 4886 1 12 . 1 1 39 39 ILE CB C 39 37.086 37.086 39.273 -2.187 19617 4887 1 12 . 1 1 39 39 ILE H H 39 8.816 8.816 8.122 0.694 19617 4888 1 12 . 1 1 40 40 THR N N 40 122.861 122.861 119.710 3.151 19617 4889 1 12 . 1 1 40 40 THR HA H 40 4.289 4.289 4.028 0.261 19617 4890 1 12 . 1 1 40 40 THR CB C 40 68.527 68.527 68.468 0.059 19617 4891 1 12 . 1 1 40 40 THR H H 40 8.679 8.679 8.027 0.652 19617 4892 1 12 . 1 1 41 41 ASP N N 41 114.076 114.076 118.653 -4.577 19617 4893 1 12 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.680 -0.983 19617 4894 1 12 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.585 -0.107 19617 4895 1 12 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.812 -2.094 19617 4896 1 12 . 1 1 41 41 ASP H H 41 8.539 8.539 7.957 0.582 19617 4897 1 12 . 1 1 42 42 GLN N N 42 117.086 117.086 116.352 0.734 19617 4898 1 12 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.982 0.164 19617 4899 1 12 . 1 1 42 42 GLN CA C 42 55.536 55.536 57.092 -1.556 19617 4900 1 12 . 1 1 42 42 GLN CB C 42 30.216 30.216 28.056 2.160 19617 4901 1 12 . 1 1 42 42 GLN H H 42 7.718 7.718 7.794 -0.076 19617 4902 1 12 . 1 1 43 43 VAL N N 43 109.916 109.916 114.842 -4.926 19617 4903 1 12 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.763 0.328 19617 4904 1 12 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.095 -4.255 19617 4905 1 12 . 1 1 43 43 VAL CB C 43 31.273 31.273 30.265 1.008 19617 4906 1 12 . 1 1 43 43 VAL H H 43 6.902 6.902 7.883 -0.981 19617 4907 1 12 . 1 1 44 44 THR N N 44 116.270 116.270 120.828 -4.558 19617 4908 1 12 . 1 1 44 44 THR HA H 44 4.311 4.311 4.297 0.014 19617 4909 1 12 . 1 1 44 44 THR CA C 44 61.651 61.651 62.682 -1.031 19617 4910 1 12 . 1 1 44 44 THR CB C 44 68.890 68.890 68.255 0.635 19617 4911 1 12 . 1 1 44 44 THR H H 44 8.787 8.787 8.047 0.740 19617 4912 1 12 . 1 1 45 45 TRP N N 45 132.099 132.099 127.368 4.731 19617 4913 1 12 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.077 0.169 19617 4914 1 12 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.192 -0.805 19617 4915 1 12 . 1 1 45 45 TRP CB C 45 30.077 30.077 33.807 -3.730 19617 4916 1 12 . 1 1 45 45 TRP H H 45 10.351 10.351 8.383 1.968 19617 4917 1 12 . 1 1 46 46 ASP N N 46 121.897 121.897 122.950 -1.053 19617 4918 1 12 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.059 -0.200 19617 4919 1 12 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.581 -0.784 19617 4920 1 12 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.393 -0.318 19617 4921 1 12 . 1 1 46 46 ASP H H 46 9.471 9.471 9.233 0.238 19617 4922 1 12 . 1 1 47 47 SER N N 47 113.805 113.805 116.399 -2.594 19617 4923 1 12 . 1 1 47 47 SER HA H 47 5.044 5.044 4.674 0.370 19617 4924 1 12 . 1 1 47 47 SER CA C 47 53.059 53.059 56.725 -3.666 19617 4925 1 12 . 1 1 47 47 SER CB C 47 64.880 64.880 64.545 0.335 19617 4926 1 12 . 1 1 47 47 SER H H 47 8.502 8.502 8.416 0.086 19617 4927 1 12 . 1 1 48 48 SER N N 48 119.614 119.614 118.427 1.187 19617 4928 1 12 . 1 1 48 48 SER HA H 48 4.281 4.281 4.378 -0.097 19617 4929 1 12 . 1 1 48 48 SER CA C 48 59.404 59.404 59.450 -0.046 19617 4930 1 12 . 1 1 48 48 SER CB C 48 62.026 62.026 63.626 -1.600 19617 4931 1 12 . 1 1 48 48 SER H H 48 8.518 8.518 8.492 0.026 19617 4932 1 12 . 1 1 49 49 ASN N N 49 118.260 118.260 118.690 -0.430 19617 4933 1 12 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.948 -0.053 19617 4934 1 12 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.241 -0.400 19617 4935 1 12 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.857 -1.137 19617 4936 1 12 . 1 1 49 49 ASN H H 49 7.816 7.816 8.564 -0.748 19617 4937 1 12 . 1 1 50 50 THR N N 50 119.289 119.289 114.451 4.838 19617 4938 1 12 . 1 1 50 50 THR HA H 50 4.567 4.567 4.307 0.260 19617 4939 1 12 . 1 1 50 50 THR CA C 50 62.137 62.137 64.029 -1.892 19617 4940 1 12 . 1 1 50 50 THR CB C 50 67.100 67.100 69.198 -2.098 19617 4941 1 12 . 1 1 50 50 THR H H 50 9.048 9.048 8.352 0.696 19617 4942 1 12 . 1 1 51 51 ASP N N 51 118.825 118.825 117.450 1.375 19617 4943 1 12 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.669 -0.092 19617 4944 1 12 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.657 0.033 19617 4945 1 12 . 1 1 51 51 ASP CB C 51 39.658 39.658 41.986 -2.328 19617 4946 1 12 . 1 1 51 51 ASP H H 51 8.251 8.251 8.424 -0.173 19617 4947 1 12 . 1 1 52 52 ILE N N 52 118.410 118.410 121.470 -3.060 19617 4948 1 12 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.364 -0.438 19617 4949 1 12 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.158 0.523 19617 4950 1 12 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.602 -0.706 19617 4951 1 12 . 1 1 52 52 ILE H H 52 7.169 7.169 8.268 -1.099 19617 4952 1 12 . 1 1 53 53 LEU N N 53 120.129 120.129 127.429 -7.300 19617 4953 1 12 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.742 0.280 19617 4954 1 12 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.873 -1.592 19617 4955 1 12 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.140 1.265 19617 4956 1 12 . 1 1 53 53 LEU H H 53 7.876 7.876 8.503 -0.627 19617 4957 1 12 . 1 1 54 54 SER N N 54 122.249 122.249 120.329 1.920 19617 4958 1 12 . 1 1 54 54 SER HA H 54 4.954 4.954 4.862 0.092 19617 4959 1 12 . 1 1 54 54 SER CA C 54 54.724 54.724 57.424 -2.700 19617 4960 1 12 . 1 1 54 54 SER CB C 54 64.417 64.417 64.994 -0.577 19617 4961 1 12 . 1 1 54 54 SER H H 54 8.650 8.650 8.889 -0.239 19617 4962 1 12 . 1 1 55 55 ILE N N 55 123.973 123.973 122.693 1.280 19617 4963 1 12 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.457 0.445 19617 4964 1 12 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.093 -0.225 19617 4965 1 12 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.915 2.503 19617 4966 1 12 . 1 1 55 55 ILE H H 55 9.081 9.081 8.479 0.602 19617 4967 1 12 . 1 1 56 56 SER N N 56 119.541 119.541 122.068 -2.527 19617 4968 1 12 . 1 1 56 56 SER HA H 56 4.384 4.384 4.663 -0.279 19617 4969 1 12 . 1 1 56 56 SER CA C 56 56.626 56.626 57.274 -0.648 19617 4970 1 12 . 1 1 56 56 SER CB C 56 63.106 63.106 64.164 -1.058 19617 4971 1 12 . 1 1 56 56 SER H H 56 7.905 7.905 8.467 -0.562 19617 4972 1 12 . 1 1 57 57 ASN N N 57 124.208 124.208 124.578 -0.370 19617 4973 1 12 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.895 0.121 19617 4974 1 12 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.056 -0.587 19617 4975 1 12 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.553 -0.463 19617 4976 1 12 . 1 1 57 57 ASN H H 57 8.945 8.945 8.961 -0.016 19617 4977 1 12 . 1 1 58 58 ALA N N 58 124.301 124.301 122.242 2.059 19617 4978 1 12 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.562 -0.428 19617 4979 1 12 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.670 -1.383 19617 4980 1 12 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.529 -1.175 19617 4981 1 12 . 1 1 58 58 ALA H H 58 8.150 8.150 7.841 0.309 19617 4982 1 12 . 1 1 59 59 SER N N 59 113.293 113.293 114.932 -1.639 19617 4983 1 12 . 1 1 59 59 SER HA H 59 4.706 4.706 4.302 0.404 19617 4984 1 12 . 1 1 59 59 SER CA C 59 60.003 60.003 60.842 -0.839 19617 4985 1 12 . 1 1 59 59 SER CB C 59 62.574 62.574 63.271 -0.697 19617 4986 1 12 . 1 1 59 59 SER H H 59 8.377 8.377 8.280 0.097 19617 4987 1 12 . 1 1 60 60 ASP N N 60 116.272 116.272 115.061 1.211 19617 4988 1 12 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.812 -0.141 19617 4989 1 12 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.464 -0.705 19617 4990 1 12 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.780 -2.068 19617 4991 1 12 . 1 1 60 60 ASP H H 60 8.310 8.310 7.924 0.386 19617 4992 1 12 . 1 1 61 61 SER N N 61 112.651 112.651 115.345 -2.694 19617 4993 1 12 . 1 1 61 61 SER HA H 61 4.630 4.630 4.459 0.171 19617 4994 1 12 . 1 1 61 61 SER CA C 61 56.180 56.180 60.668 -4.488 19617 4995 1 12 . 1 1 61 61 SER CB C 61 61.843 61.843 63.704 -1.861 19617 4996 1 12 . 1 1 61 61 SER H H 61 7.588 7.588 8.623 -1.035 19617 4997 1 12 . 1 1 62 62 HIS N N 62 119.790 119.790 118.513 1.277 19617 4998 1 12 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.741 -0.695 19617 4999 1 12 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.707 1.212 19617 5000 1 12 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.001 -2.477 19617 5001 1 12 . 1 1 62 62 HIS H H 62 8.030 8.030 8.157 -0.127 19617 5002 1 12 . 1 1 63 63 GLY N N 63 113.297 113.297 106.926 6.371 19617 5003 1 12 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.920 -0.267 19617 5004 1 12 . 1 1 63 63 GLY H H 63 8.733 8.733 8.063 0.670 19617 5005 1 12 . 1 1 64 64 LEU N N 64 120.663 120.663 122.608 -1.945 19617 5006 1 12 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.326 -0.940 19617 5007 1 12 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.325 1.568 19617 5008 1 12 . 1 1 64 64 LEU CB C 64 41.463 41.463 41.777 -0.314 19617 5009 1 12 . 1 1 64 64 LEU H H 64 7.680 7.680 8.482 -0.802 19617 5010 1 12 . 1 1 65 65 ALA N N 65 108.347 108.347 127.865 -19.518 19617 5011 1 12 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.683 0.719 19617 5012 1 12 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.273 -1.006 19617 5013 1 12 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.731 0.824 19617 5014 1 12 . 1 1 65 65 ALA H H 65 9.874 9.874 8.844 1.030 19617 5015 1 12 . 1 1 66 66 SER N N 66 115.950 115.950 119.849 -3.899 19617 5016 1 12 . 1 1 66 66 SER HA H 66 4.906 4.906 5.340 -0.434 19617 5017 1 12 . 1 1 66 66 SER CA C 66 56.645 56.645 57.374 -0.729 19617 5018 1 12 . 1 1 66 66 SER CB C 66 63.823 63.823 66.339 -2.516 19617 5019 1 12 . 1 1 66 66 SER H H 66 8.938 8.938 8.888 0.050 19617 5020 1 12 . 1 1 67 67 THR N N 67 113.595 113.595 118.857 -5.262 19617 5021 1 12 . 1 1 67 67 THR HA H 67 4.649 4.649 4.872 -0.223 19617 5022 1 12 . 1 1 67 67 THR CA C 67 59.216 59.216 60.855 -1.639 19617 5023 1 12 . 1 1 67 67 THR CB C 67 69.006 69.006 70.228 -1.222 19617 5024 1 12 . 1 1 67 67 THR H H 67 8.257 8.257 8.411 -0.154 19617 5025 1 12 . 1 1 68 68 LEU N N 68 124.152 124.152 128.549 -4.397 19617 5026 1 12 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.722 -0.360 19617 5027 1 12 . 1 1 68 68 LEU CA C 68 55.112 55.112 53.782 1.329 19617 5028 1 12 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.161 1.754 19617 5029 1 12 . 1 1 68 68 LEU H H 68 8.616 8.616 8.255 0.361 19617 5030 1 12 . 1 1 69 69 ASN N N 69 115.820 115.820 117.555 -1.735 19617 5031 1 12 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.813 -0.153 19617 5032 1 12 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.170 0.286 19617 5033 1 12 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.667 1.639 19617 5034 1 12 . 1 1 69 69 ASN H H 69 7.965 7.965 7.495 0.470 19617 5035 1 12 . 1 1 70 70 GLN N N 70 114.562 114.562 118.773 -4.211 19617 5036 1 12 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.430 -0.504 19617 5037 1 12 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.770 -0.534 19617 5038 1 12 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.628 0.378 19617 5039 1 12 . 1 1 70 70 GLN H H 70 8.287 8.287 8.562 -0.275 19617 5040 1 12 . 1 1 71 71 GLY N N 71 108.005 108.005 110.863 -2.858 19617 5041 1 12 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.573 -1.887 19617 5042 1 12 . 1 1 71 71 GLY H H 71 8.520 8.520 8.030 0.490 19617 5043 1 12 . 1 1 72 72 ASN N N 72 117.787 117.787 120.419 -2.632 19617 5044 1 12 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.110 0.363 19617 5045 1 12 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.325 -0.633 19617 5046 1 12 . 1 1 72 72 ASN CB C 72 39.896 39.896 42.124 -2.228 19617 5047 1 12 . 1 1 72 72 ASN H H 72 8.420 8.420 8.396 0.024 19617 5048 1 12 . 1 1 73 73 VAL N N 73 115.846 115.846 114.241 1.605 19617 5049 1 12 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.555 -0.028 19617 5050 1 12 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.970 -0.995 19617 5051 1 12 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.722 -0.543 19617 5052 1 12 . 1 1 73 73 VAL H H 73 8.990 8.990 9.192 -0.202 19617 5053 1 12 . 1 1 74 74 LYS N N 74 123.195 123.195 125.437 -2.242 19617 5054 1 12 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.558 0.596 19617 5055 1 12 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.152 -1.271 19617 5056 1 12 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.882 0.716 19617 5057 1 12 . 1 1 74 74 LYS H H 74 8.715 8.715 8.443 0.272 19617 5058 1 12 . 1 1 75 75 VAL N N 75 129.521 129.521 127.461 2.060 19617 5059 1 12 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.623 -0.080 19617 5060 1 12 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.171 -0.355 19617 5061 1 12 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.847 -1.364 19617 5062 1 12 . 1 1 75 75 VAL H H 75 8.975 8.975 8.310 0.665 19617 5063 1 12 . 1 1 76 76 THR N N 76 120.544 120.544 120.367 0.177 19617 5064 1 12 . 1 1 76 76 THR HA H 76 5.067 5.067 4.772 0.295 19617 5065 1 12 . 1 1 76 76 THR CA C 76 59.783 59.783 60.754 -0.971 19617 5066 1 12 . 1 1 76 76 THR CB C 76 70.733 70.733 71.896 -1.163 19617 5067 1 12 . 1 1 76 76 THR H H 76 8.650 8.650 8.637 0.013 19617 5068 1 12 . 1 1 77 77 ALA N N 77 126.453 126.453 125.111 1.342 19617 5069 1 12 . 1 1 77 77 ALA HA H 77 4.380 4.380 4.888 -0.508 19617 5070 1 12 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.159 -1.729 19617 5071 1 12 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.579 -1.036 19617 5072 1 12 . 1 1 77 77 ALA H H 77 8.674 8.674 8.228 0.446 19617 5073 1 12 . 1 1 78 78 SER N N 78 113.566 113.566 113.652 -0.086 19617 5074 1 12 . 1 1 78 78 SER HA H 78 5.377 5.377 4.675 0.702 19617 5075 1 12 . 1 1 78 78 SER CA C 78 56.077 56.077 58.286 -2.209 19617 5076 1 12 . 1 1 78 78 SER CB C 78 65.730 65.730 66.695 -0.965 19617 5077 1 12 . 1 1 78 78 SER H H 78 8.116 8.116 8.516 -0.400 19617 5078 1 12 . 1 1 79 79 ILE N N 79 121.070 121.070 124.351 -3.281 19617 5079 1 12 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.484 -0.336 19617 5080 1 12 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.246 1.878 19617 5081 1 12 . 1 1 79 79 ILE CB C 79 38.809 38.809 39.987 -1.179 19617 5082 1 12 . 1 1 79 79 ILE H H 79 8.446 8.446 7.682 0.764 19617 5083 1 12 . 1 1 80 80 GLY N N 80 117.155 117.155 115.995 1.160 19617 5084 1 12 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.477 -0.471 19617 5085 1 12 . 1 1 80 80 GLY H H 80 8.899 8.899 8.577 0.322 19617 5086 1 12 . 1 1 81 81 GLY N N 81 110.715 110.715 111.795 -1.080 19617 5087 1 12 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.095 -0.717 19617 5088 1 12 . 1 1 81 81 GLY H H 81 8.742 8.742 8.387 0.355 19617 5089 1 12 . 1 1 82 82 ILE N N 82 124.113 124.113 119.998 4.115 19617 5090 1 12 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.222 -0.020 19617 5091 1 12 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.971 -1.938 19617 5092 1 12 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.950 -2.173 19617 5093 1 12 . 1 1 82 82 ILE H H 82 8.188 8.188 7.921 0.267 19617 5094 1 12 . 1 1 83 83 GLN N N 83 122.453 122.453 120.478 1.975 19617 5095 1 12 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.479 0.917 19617 5096 1 12 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.436 -1.416 19617 5097 1 12 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.461 0.054 19617 5098 1 12 . 1 1 83 83 GLN H H 83 8.423 8.423 8.190 0.233 19617 5099 1 12 . 1 1 84 84 GLY N N 84 111.436 111.436 107.668 3.768 19617 5100 1 12 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.368 -0.670 19617 5101 1 12 . 1 1 84 84 GLY H H 84 8.931 8.931 8.238 0.693 19617 5102 1 12 . 1 1 85 85 SER N N 85 113.877 113.877 114.303 -0.426 19617 5103 1 12 . 1 1 85 85 SER HA H 85 5.843 5.843 4.888 0.955 19617 5104 1 12 . 1 1 85 85 SER CA C 85 56.264 56.264 57.390 -1.126 19617 5105 1 12 . 1 1 85 85 SER CB C 85 66.946 66.946 65.912 1.034 19617 5106 1 12 . 1 1 85 85 SER H H 85 8.710 8.710 8.216 0.494 19617 5107 1 12 . 1 1 86 86 THR N N 86 115.389 115.389 116.167 -0.778 19617 5108 1 12 . 1 1 86 86 THR HA H 86 4.772 4.772 4.826 -0.054 19617 5109 1 12 . 1 1 86 86 THR CA C 86 60.313 60.313 61.104 -0.791 19617 5110 1 12 . 1 1 86 86 THR CB C 86 69.852 69.852 71.087 -1.235 19617 5111 1 12 . 1 1 86 86 THR H H 86 8.854 8.854 8.909 -0.055 19617 5112 1 12 . 1 1 87 87 ASP N N 87 124.622 124.622 124.629 -0.007 19617 5113 1 12 . 1 1 87 87 ASP HA H 87 5.438 5.438 5.020 0.418 19617 5114 1 12 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.879 -0.083 19617 5115 1 12 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.248 -1.238 19617 5116 1 12 . 1 1 87 87 ASP H H 87 7.953 7.953 8.558 -0.605 19617 5117 1 12 . 1 1 88 88 PHE N N 88 123.577 123.577 125.107 -1.530 19617 5118 1 12 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.207 -0.274 19617 5119 1 12 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.087 0.881 19617 5120 1 12 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.201 0.683 19617 5121 1 12 . 1 1 88 88 PHE H H 88 9.094 9.094 8.555 0.539 19617 5122 1 12 . 1 1 89 89 LYS N N 89 126.966 126.966 126.110 0.856 19617 5123 1 12 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.777 0.260 19617 5124 1 12 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.350 -1.461 19617 5125 1 12 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.920 -1.251 19617 5126 1 12 . 1 1 89 89 LYS H H 89 7.269 7.269 8.260 -0.991 19617 5127 1 12 . 1 1 90 90 VAL N N 90 126.146 126.146 127.840 -1.694 19617 5128 1 12 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.277 -0.269 19617 5129 1 12 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.242 0.305 19617 5130 1 12 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.487 -3.539 19617 5131 1 12 . 1 1 90 90 VAL H H 90 9.086 9.086 8.695 0.391 19617 5132 1 12 . 1 1 91 91 THR N N 91 120.506 120.506 119.991 0.515 19617 5133 1 12 . 1 1 91 91 THR HA H 91 4.568 4.568 4.719 -0.151 19617 5134 1 12 . 1 1 91 91 THR CA C 91 59.348 59.348 60.252 -0.904 19617 5135 1 12 . 1 1 91 91 THR CB C 91 68.970 68.970 71.585 -2.615 19617 5136 1 12 . 1 1 91 91 THR H H 91 8.757 8.757 7.910 0.847 19617 5137 1 13 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.684 -0.413 19617 5138 1 13 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.717 -1.496 19617 5139 1 13 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.997 -1.581 19617 5140 1 13 . 1 1 3 3 ALA N N 3 123.801 123.801 121.969 1.832 19617 5141 1 13 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.279 -0.073 19617 5142 1 13 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.660 -0.265 19617 5143 1 13 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.441 -1.601 19617 5144 1 13 . 1 1 3 3 ALA H H 3 8.647 8.647 8.179 0.468 19617 5145 1 13 . 1 1 4 4 ALA N N 4 124.058 124.058 126.168 -2.110 19617 5146 1 13 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.492 0.187 19617 5147 1 13 . 1 1 4 4 ALA CA C 4 50.022 50.022 52.469 -2.447 19617 5148 1 13 . 1 1 4 4 ALA CB C 4 19.897 19.897 18.537 1.360 19617 5149 1 13 . 1 1 4 4 ALA H H 4 8.239 8.239 8.666 -0.427 19617 5150 1 13 . 1 1 5 5 LEU N N 5 124.019 124.019 126.418 -2.399 19617 5151 1 13 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.523 -1.151 19617 5152 1 13 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.711 0.297 19617 5153 1 13 . 1 1 5 5 LEU CB C 5 41.242 41.242 43.005 -1.763 19617 5154 1 13 . 1 1 5 5 LEU H H 5 8.560 8.560 8.754 -0.194 19617 5155 1 13 . 1 1 6 6 VAL N N 6 123.358 123.358 114.557 8.801 19617 5156 1 13 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.018 0.083 19617 5157 1 13 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.328 -0.988 19617 5158 1 13 . 1 1 6 6 VAL CB C 6 32.948 32.948 29.069 3.880 19617 5159 1 13 . 1 1 6 6 VAL H H 6 9.119 9.119 8.004 1.115 19617 5160 1 13 . 1 1 7 7 SER N N 7 112.139 112.139 117.331 -5.192 19617 5161 1 13 . 1 1 7 7 SER HA H 7 4.445 4.445 4.655 -0.210 19617 5162 1 13 . 1 1 7 7 SER CA C 7 56.349 56.349 58.960 -2.611 19617 5163 1 13 . 1 1 7 7 SER CB C 7 64.361 64.361 63.170 1.191 19617 5164 1 13 . 1 1 7 7 SER H H 7 7.680 7.680 7.796 -0.116 19617 5165 1 13 . 1 1 8 8 ILE N N 8 118.677 118.677 122.197 -3.520 19617 5166 1 13 . 1 1 8 8 ILE HA H 8 4.681 4.681 5.122 -0.441 19617 5167 1 13 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.162 -0.016 19617 5168 1 13 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.839 -0.165 19617 5169 1 13 . 1 1 8 8 ILE H H 8 8.354 8.354 7.716 0.638 19617 5170 1 13 . 1 1 9 9 SER N N 9 121.319 121.319 119.480 1.839 19617 5171 1 13 . 1 1 9 9 SER HA H 9 4.859 4.859 4.777 0.082 19617 5172 1 13 . 1 1 9 9 SER CA C 9 55.381 55.381 57.037 -1.656 19617 5173 1 13 . 1 1 9 9 SER CB C 9 64.243 64.243 64.187 0.056 19617 5174 1 13 . 1 1 9 9 SER H H 9 9.028 9.028 8.252 0.776 19617 5175 1 13 . 1 1 10 10 VAL N N 10 127.508 127.508 126.595 0.913 19617 5176 1 13 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.753 0.298 19617 5177 1 13 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.793 0.119 19617 5178 1 13 . 1 1 10 10 VAL CB C 10 33.387 33.387 32.929 0.458 19617 5179 1 13 . 1 1 10 10 VAL H H 10 8.911 8.911 8.496 0.415 19617 5180 1 13 . 1 1 11 11 SER N N 11 121.861 121.861 124.224 -2.363 19617 5181 1 13 . 1 1 11 11 SER CB C 11 64.373 64.373 62.810 1.562 19617 5182 1 13 . 1 1 11 11 SER H H 11 9.205 9.205 8.625 0.580 19617 5183 1 13 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.663 0.047 19617 5184 1 13 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.557 -1.658 19617 5185 1 13 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.485 1.604 19617 5186 1 13 . 1 1 13 13 THR N N 13 116.138 116.138 117.041 -0.903 19617 5187 1 13 . 1 1 13 13 THR HA H 13 4.766 4.766 4.444 0.322 19617 5188 1 13 . 1 1 13 13 THR CA C 13 60.153 60.153 61.686 -1.533 19617 5189 1 13 . 1 1 13 13 THR CB C 13 69.426 69.426 69.866 -0.440 19617 5190 1 13 . 1 1 13 13 THR H H 13 8.679 8.679 8.201 0.478 19617 5191 1 13 . 1 1 14 14 ASN N N 14 124.457 124.457 126.132 -1.675 19617 5192 1 13 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.929 -0.232 19617 5193 1 13 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.715 -0.587 19617 5194 1 13 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.295 -2.702 19617 5195 1 13 . 1 1 14 14 ASN H H 14 8.710 8.710 8.760 -0.050 19617 5196 1 13 . 1 1 15 15 SER N N 15 113.672 113.672 117.156 -3.484 19617 5197 1 13 . 1 1 15 15 SER HA H 15 4.651 4.651 4.529 0.122 19617 5198 1 13 . 1 1 15 15 SER CA C 15 55.644 55.644 57.528 -1.884 19617 5199 1 13 . 1 1 15 15 SER CB C 15 63.953 63.953 64.464 -0.511 19617 5200 1 13 . 1 1 15 15 SER H H 15 9.127 9.127 8.127 1.000 19617 5201 1 13 . 1 1 16 16 THR N N 16 113.578 113.578 114.032 -0.454 19617 5202 1 13 . 1 1 16 16 THR HA H 16 4.975 4.975 4.639 0.336 19617 5203 1 13 . 1 1 16 16 THR CA C 16 58.445 58.445 61.024 -2.579 19617 5204 1 13 . 1 1 16 16 THR CB C 16 70.534 70.534 70.316 0.218 19617 5205 1 13 . 1 1 16 16 THR H H 16 7.962 7.962 8.179 -0.217 19617 5206 1 13 . 1 1 17 17 VAL N N 17 121.480 121.480 121.215 0.265 19617 5207 1 13 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.390 -0.068 19617 5208 1 13 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.379 -0.442 19617 5209 1 13 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.146 0.258 19617 5210 1 13 . 1 1 17 17 VAL H H 17 7.969 7.969 8.769 -0.800 19617 5211 1 13 . 1 1 18 18 ALA N N 18 126.013 126.013 127.226 -1.213 19617 5212 1 13 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.422 -0.247 19617 5213 1 13 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.958 -0.995 19617 5214 1 13 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.610 -0.688 19617 5215 1 13 . 1 1 18 18 ALA H H 18 7.756 7.756 8.324 -0.568 19617 5216 1 13 . 1 1 19 19 LYS N N 19 119.740 119.740 122.898 -3.158 19617 5217 1 13 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.936 -0.447 19617 5218 1 13 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.245 0.527 19617 5219 1 13 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.801 -1.199 19617 5220 1 13 . 1 1 19 19 LYS H H 19 7.892 7.892 8.525 -0.633 19617 5221 1 13 . 1 1 20 20 GLY N N 20 116.706 116.706 113.973 2.733 19617 5222 1 13 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.214 -1.451 19617 5223 1 13 . 1 1 20 20 GLY H H 20 8.615 8.615 8.629 -0.014 19617 5224 1 13 . 1 1 21 21 LEU N N 21 123.004 123.004 123.472 -0.468 19617 5225 1 13 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.590 -0.000 19617 5226 1 13 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.032 -0.667 19617 5227 1 13 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.690 -5.728 19617 5228 1 13 . 1 1 21 21 LEU H H 21 8.013 8.013 7.850 0.163 19617 5229 1 13 . 1 1 22 22 GLN N N 22 117.502 117.502 119.055 -1.553 19617 5230 1 13 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.180 -0.054 19617 5231 1 13 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.450 -0.781 19617 5232 1 13 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.346 -0.432 19617 5233 1 13 . 1 1 22 22 GLN H H 22 8.223 8.223 8.504 -0.281 19617 5234 1 13 . 1 1 23 23 GLU N N 23 118.123 118.123 123.091 -4.968 19617 5235 1 13 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.633 -0.071 19617 5236 1 13 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.391 -2.524 19617 5237 1 13 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.876 -0.002 19617 5238 1 13 . 1 1 23 23 GLU H H 23 8.188 8.188 8.591 -0.404 19617 5239 1 13 . 1 1 24 24 ASN N N 24 125.843 125.843 124.273 1.570 19617 5240 1 13 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.604 0.173 19617 5241 1 13 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.005 -0.494 19617 5242 1 13 . 1 1 24 24 ASN CB C 24 39.746 39.746 38.906 0.840 19617 5243 1 13 . 1 1 24 24 ASN H H 24 9.391 9.391 8.493 0.898 19617 5244 1 13 . 1 1 25 25 PHE N N 25 122.822 122.822 117.897 4.925 19617 5245 1 13 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.433 0.217 19617 5246 1 13 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.326 0.797 19617 5247 1 13 . 1 1 25 25 PHE CB C 25 39.059 39.059 40.427 -1.368 19617 5248 1 13 . 1 1 25 25 PHE H H 25 8.059 8.059 7.800 0.259 19617 5249 1 13 . 1 1 26 26 LYS N N 26 119.114 119.114 120.618 -1.504 19617 5250 1 13 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.555 0.689 19617 5251 1 13 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.847 -2.871 19617 5252 1 13 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.519 -0.858 19617 5253 1 13 . 1 1 26 26 LYS H H 26 9.255 9.255 8.599 0.656 19617 5254 1 13 . 1 1 27 27 ALA N N 27 125.586 125.586 128.077 -2.491 19617 5255 1 13 . 1 1 27 27 ALA HA H 27 5.263 5.263 4.969 0.294 19617 5256 1 13 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.147 -2.330 19617 5257 1 13 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.314 -1.154 19617 5258 1 13 . 1 1 27 27 ALA H H 27 9.119 9.119 8.632 0.487 19617 5259 1 13 . 1 1 28 28 THR N N 28 120.628 120.628 116.135 4.493 19617 5260 1 13 . 1 1 28 28 THR HA H 28 4.843 4.843 4.653 0.190 19617 5261 1 13 . 1 1 28 28 THR CA C 28 60.566 60.566 61.009 -0.443 19617 5262 1 13 . 1 1 28 28 THR CB C 28 69.478 69.478 70.334 -0.856 19617 5263 1 13 . 1 1 28 28 THR H H 28 9.061 9.061 7.958 1.103 19617 5264 1 13 . 1 1 29 29 GLY N N 29 115.787 115.787 111.689 4.098 19617 5265 1 13 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.984 0.332 19617 5266 1 13 . 1 1 29 29 GLY H H 29 9.663 9.663 8.515 1.148 19617 5267 1 13 . 1 1 30 30 ILE N N 30 123.084 123.084 125.257 -2.173 19617 5268 1 13 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.078 0.703 19617 5269 1 13 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.197 -0.809 19617 5270 1 13 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.516 -2.633 19617 5271 1 13 . 1 1 30 30 ILE H H 30 7.914 7.914 7.471 0.443 19617 5272 1 13 . 1 1 31 31 PHE N N 31 125.209 125.209 124.438 0.771 19617 5273 1 13 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.995 0.375 19617 5274 1 13 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.192 1.295 19617 5275 1 13 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.113 0.040 19617 5276 1 13 . 1 1 31 31 PHE H H 31 8.316 8.316 8.369 -0.053 19617 5277 1 13 . 1 1 32 32 THR N N 32 113.843 113.843 118.414 -4.571 19617 5278 1 13 . 1 1 32 32 THR HA H 32 4.409 4.409 4.159 0.250 19617 5279 1 13 . 1 1 32 32 THR CA C 32 64.157 64.157 65.628 -1.471 19617 5280 1 13 . 1 1 32 32 THR CB C 32 68.540 68.540 68.735 -0.195 19617 5281 1 13 . 1 1 32 32 THR H H 32 9.335 9.335 8.750 0.585 19617 5282 1 13 . 1 1 33 33 ASP N N 33 118.799 118.799 120.178 -1.379 19617 5283 1 13 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.653 -0.031 19617 5284 1 13 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.621 -1.658 19617 5285 1 13 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.813 -2.319 19617 5286 1 13 . 1 1 33 33 ASP H H 33 7.689 7.689 8.461 -0.772 19617 5287 1 13 . 1 1 34 34 ASN N N 34 112.999 112.999 113.826 -0.827 19617 5288 1 13 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.353 -0.003 19617 5289 1 13 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.329 0.017 19617 5290 1 13 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.964 -0.473 19617 5291 1 13 . 1 1 34 34 ASN H H 34 8.370 8.370 7.985 0.385 19617 5292 1 13 . 1 1 35 35 SER N N 35 115.544 115.544 114.330 1.214 19617 5293 1 13 . 1 1 35 35 SER HA H 35 4.410 4.410 4.645 -0.235 19617 5294 1 13 . 1 1 35 35 SER CA C 35 57.882 57.882 57.296 0.586 19617 5295 1 13 . 1 1 35 35 SER CB C 35 63.770 63.770 63.128 0.642 19617 5296 1 13 . 1 1 35 35 SER H H 35 7.990 7.990 8.285 -0.295 19617 5297 1 13 . 1 1 36 36 ASN N N 36 116.055 116.055 120.318 -4.263 19617 5298 1 13 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.440 -1.766 19617 5299 1 13 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.424 1.375 19617 5300 1 13 . 1 1 36 36 ASN H H 36 8.518 8.518 8.113 0.405 19617 5301 1 13 . 1 1 37 37 SER N N 37 113.193 113.193 114.376 -1.183 19617 5302 1 13 . 1 1 37 37 SER HA H 37 4.719 4.719 4.551 0.168 19617 5303 1 13 . 1 1 37 37 SER CA C 37 56.801 56.801 57.511 -0.710 19617 5304 1 13 . 1 1 37 37 SER CB C 37 64.872 64.872 65.172 -0.300 19617 5305 1 13 . 1 1 37 37 SER H H 37 8.667 8.667 8.450 0.217 19617 5306 1 13 . 1 1 38 38 ASP N N 38 123.964 123.964 125.176 -1.212 19617 5307 1 13 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.592 0.390 19617 5308 1 13 . 1 1 38 38 ASP CA C 38 54.201 54.201 55.316 -1.115 19617 5309 1 13 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.119 -0.190 19617 5310 1 13 . 1 1 38 38 ASP H H 38 8.849 8.849 8.788 0.061 19617 5311 1 13 . 1 1 39 39 ILE N N 39 121.214 121.214 120.810 0.404 19617 5312 1 13 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.788 1.088 19617 5313 1 13 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.623 -1.915 19617 5314 1 13 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.845 2.241 19617 5315 1 13 . 1 1 39 39 ILE H H 39 8.816 8.816 8.696 0.120 19617 5316 1 13 . 1 1 40 40 THR N N 40 122.861 122.861 116.595 6.266 19617 5317 1 13 . 1 1 40 40 THR HA H 40 4.289 4.289 4.089 0.200 19617 5318 1 13 . 1 1 40 40 THR CB C 40 68.527 68.527 68.863 -0.336 19617 5319 1 13 . 1 1 40 40 THR H H 40 8.679 8.679 7.984 0.695 19617 5320 1 13 . 1 1 41 41 ASP N N 41 114.076 114.076 119.321 -5.245 19617 5321 1 13 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.717 -1.020 19617 5322 1 13 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.846 -0.368 19617 5323 1 13 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.899 -2.181 19617 5324 1 13 . 1 1 41 41 ASP H H 41 8.539 8.539 8.348 0.191 19617 5325 1 13 . 1 1 42 42 GLN N N 42 117.086 117.086 118.789 -1.703 19617 5326 1 13 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.995 0.151 19617 5327 1 13 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.234 -0.698 19617 5328 1 13 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.317 2.898 19617 5329 1 13 . 1 1 42 42 GLN H H 42 7.718 7.718 7.748 -0.030 19617 5330 1 13 . 1 1 43 43 VAL N N 43 109.916 109.916 122.585 -12.669 19617 5331 1 13 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.659 0.432 19617 5332 1 13 . 1 1 43 43 VAL CA C 43 58.840 58.840 64.002 -5.162 19617 5333 1 13 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.286 -0.013 19617 5334 1 13 . 1 1 43 43 VAL H H 43 6.902 6.902 8.335 -1.433 19617 5335 1 13 . 1 1 44 44 THR N N 44 116.270 116.270 123.478 -7.208 19617 5336 1 13 . 1 1 44 44 THR HA H 44 4.311 4.311 4.339 -0.028 19617 5337 1 13 . 1 1 44 44 THR CA C 44 61.651 61.651 61.981 -0.330 19617 5338 1 13 . 1 1 44 44 THR CB C 44 68.890 68.890 68.462 0.428 19617 5339 1 13 . 1 1 44 44 THR H H 44 8.787 8.787 8.065 0.722 19617 5340 1 13 . 1 1 45 45 TRP N N 45 132.099 132.099 126.549 5.550 19617 5341 1 13 . 1 1 45 45 TRP HA H 45 5.246 5.246 4.875 0.371 19617 5342 1 13 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.147 -0.760 19617 5343 1 13 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.830 -1.753 19617 5344 1 13 . 1 1 45 45 TRP H H 45 10.351 10.351 8.236 2.115 19617 5345 1 13 . 1 1 46 46 ASP N N 46 121.897 121.897 120.394 1.503 19617 5346 1 13 . 1 1 46 46 ASP HA H 46 4.859 4.859 4.958 -0.099 19617 5347 1 13 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.643 -0.846 19617 5348 1 13 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.920 0.155 19617 5349 1 13 . 1 1 46 46 ASP H H 46 9.471 9.471 8.410 1.061 19617 5350 1 13 . 1 1 47 47 SER N N 47 113.805 113.805 118.191 -4.386 19617 5351 1 13 . 1 1 47 47 SER HA H 47 5.044 5.044 4.719 0.325 19617 5352 1 13 . 1 1 47 47 SER CA C 47 53.059 53.059 56.692 -3.633 19617 5353 1 13 . 1 1 47 47 SER CB C 47 64.880 64.880 65.240 -0.360 19617 5354 1 13 . 1 1 47 47 SER H H 47 8.502 8.502 8.365 0.137 19617 5355 1 13 . 1 1 48 48 SER N N 48 119.614 119.614 116.733 2.881 19617 5356 1 13 . 1 1 48 48 SER HA H 48 4.281 4.281 4.351 -0.070 19617 5357 1 13 . 1 1 48 48 SER CA C 48 59.404 59.404 59.365 0.038 19617 5358 1 13 . 1 1 48 48 SER CB C 48 62.026 62.026 63.742 -1.716 19617 5359 1 13 . 1 1 48 48 SER H H 48 8.518 8.518 8.453 0.065 19617 5360 1 13 . 1 1 49 49 ASN N N 49 118.260 118.260 119.760 -1.500 19617 5361 1 13 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.827 0.068 19617 5362 1 13 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.110 -0.269 19617 5363 1 13 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.623 -0.903 19617 5364 1 13 . 1 1 49 49 ASN H H 49 7.816 7.816 8.517 -0.701 19617 5365 1 13 . 1 1 50 50 THR N N 50 119.289 119.289 118.641 0.648 19617 5366 1 13 . 1 1 50 50 THR HA H 50 4.567 4.567 4.577 -0.010 19617 5367 1 13 . 1 1 50 50 THR CA C 50 62.137 62.137 62.910 -0.773 19617 5368 1 13 . 1 1 50 50 THR CB C 50 67.100 67.100 69.338 -2.238 19617 5369 1 13 . 1 1 50 50 THR H H 50 9.048 9.048 7.959 1.089 19617 5370 1 13 . 1 1 51 51 ASP N N 51 118.825 118.825 119.580 -0.755 19617 5371 1 13 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.806 -0.229 19617 5372 1 13 . 1 1 51 51 ASP CA C 51 54.690 54.690 53.955 0.735 19617 5373 1 13 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.750 -3.092 19617 5374 1 13 . 1 1 51 51 ASP H H 51 8.251 8.251 8.242 0.009 19617 5375 1 13 . 1 1 52 52 ILE N N 52 118.410 118.410 118.881 -0.471 19617 5376 1 13 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.286 -0.360 19617 5377 1 13 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.770 -0.089 19617 5378 1 13 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.401 -0.505 19617 5379 1 13 . 1 1 52 52 ILE H H 52 7.169 7.169 7.650 -0.481 19617 5380 1 13 . 1 1 53 53 LEU N N 53 120.129 120.129 128.623 -8.494 19617 5381 1 13 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.800 0.222 19617 5382 1 13 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.570 -1.289 19617 5383 1 13 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.808 1.597 19617 5384 1 13 . 1 1 53 53 LEU H H 53 7.876 7.876 8.055 -0.179 19617 5385 1 13 . 1 1 54 54 SER N N 54 122.249 122.249 119.112 3.137 19617 5386 1 13 . 1 1 54 54 SER HA H 54 4.954 4.954 4.832 0.122 19617 5387 1 13 . 1 1 54 54 SER CA C 54 54.724 54.724 56.967 -2.243 19617 5388 1 13 . 1 1 54 54 SER CB C 54 64.417 64.417 66.068 -1.651 19617 5389 1 13 . 1 1 54 54 SER H H 54 8.650 8.650 8.881 -0.231 19617 5390 1 13 . 1 1 55 55 ILE N N 55 123.973 123.973 124.481 -0.508 19617 5391 1 13 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.271 0.631 19617 5392 1 13 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.629 -1.761 19617 5393 1 13 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.715 0.703 19617 5394 1 13 . 1 1 55 55 ILE H H 55 9.081 9.081 8.450 0.631 19617 5395 1 13 . 1 1 56 56 SER N N 56 119.541 119.541 124.036 -4.495 19617 5396 1 13 . 1 1 56 56 SER HA H 56 4.384 4.384 4.683 -0.299 19617 5397 1 13 . 1 1 56 56 SER CA C 56 56.626 56.626 58.015 -1.389 19617 5398 1 13 . 1 1 56 56 SER CB C 56 63.106 63.106 63.352 -0.246 19617 5399 1 13 . 1 1 56 56 SER H H 56 7.905 7.905 8.440 -0.535 19617 5400 1 13 . 1 1 57 57 ASN N N 57 124.208 124.208 121.385 2.823 19617 5401 1 13 . 1 1 57 57 ASN HA H 57 5.016 5.016 5.225 -0.209 19617 5402 1 13 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.219 -0.750 19617 5403 1 13 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.843 -0.753 19617 5404 1 13 . 1 1 57 57 ASN H H 57 8.945 8.945 8.653 0.292 19617 5405 1 13 . 1 1 58 58 ALA N N 58 124.301 124.301 124.487 -0.186 19617 5406 1 13 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.888 -0.754 19617 5407 1 13 . 1 1 58 58 ALA CA C 58 51.287 51.287 50.857 0.430 19617 5408 1 13 . 1 1 58 58 ALA CB C 58 18.354 18.354 21.009 -2.655 19617 5409 1 13 . 1 1 58 58 ALA H H 58 8.150 8.150 8.386 -0.236 19617 5410 1 13 . 1 1 59 59 SER N N 59 113.293 113.293 113.236 0.057 19617 5411 1 13 . 1 1 59 59 SER HA H 59 4.706 4.706 4.649 0.057 19617 5412 1 13 . 1 1 59 59 SER CA C 59 60.003 60.003 59.624 0.379 19617 5413 1 13 . 1 1 59 59 SER CB C 59 62.574 62.574 63.853 -1.279 19617 5414 1 13 . 1 1 59 59 SER H H 59 8.377 8.377 8.606 -0.229 19617 5415 1 13 . 1 1 60 60 ASP N N 60 116.272 116.272 118.402 -2.130 19617 5416 1 13 . 1 1 60 60 ASP HA H 60 4.671 4.671 5.054 -0.383 19617 5417 1 13 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.020 -1.261 19617 5418 1 13 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.975 -3.263 19617 5419 1 13 . 1 1 60 60 ASP H H 60 8.310 8.310 7.567 0.743 19617 5420 1 13 . 1 1 61 61 SER N N 61 112.651 112.651 116.998 -4.347 19617 5421 1 13 . 1 1 61 61 SER HA H 61 4.630 4.630 3.879 0.751 19617 5422 1 13 . 1 1 61 61 SER CA C 61 56.180 56.180 58.782 -2.602 19617 5423 1 13 . 1 1 61 61 SER CB C 61 61.843 61.843 62.783 -0.941 19617 5424 1 13 . 1 1 61 61 SER H H 61 7.588 7.588 8.604 -1.016 19617 5425 1 13 . 1 1 62 62 HIS N N 62 119.790 119.790 118.816 0.974 19617 5426 1 13 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.130 -0.084 19617 5427 1 13 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.230 1.688 19617 5428 1 13 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.378 -1.854 19617 5429 1 13 . 1 1 62 62 HIS H H 62 8.030 8.030 7.668 0.362 19617 5430 1 13 . 1 1 63 63 GLY N N 63 113.297 113.297 109.220 4.077 19617 5431 1 13 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.772 -1.119 19617 5432 1 13 . 1 1 63 63 GLY H H 63 8.733 8.733 8.681 0.052 19617 5433 1 13 . 1 1 64 64 LEU N N 64 120.663 120.663 114.540 6.123 19617 5434 1 13 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.658 -0.272 19617 5435 1 13 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.648 0.245 19617 5436 1 13 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.690 -2.227 19617 5437 1 13 . 1 1 64 64 LEU H H 64 7.680 7.680 7.661 0.019 19617 5438 1 13 . 1 1 65 65 ALA N N 65 108.347 108.347 125.754 -17.407 19617 5439 1 13 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.521 0.881 19617 5440 1 13 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.903 -2.636 19617 5441 1 13 . 1 1 65 65 ALA CB C 65 21.555 21.555 19.105 2.450 19617 5442 1 13 . 1 1 65 65 ALA H H 65 9.874 9.874 8.626 1.248 19617 5443 1 13 . 1 1 66 66 SER N N 66 115.950 115.950 120.534 -4.584 19617 5444 1 13 . 1 1 66 66 SER HA H 66 4.906 4.906 5.708 -0.802 19617 5445 1 13 . 1 1 66 66 SER CA C 66 56.645 56.645 56.293 0.352 19617 5446 1 13 . 1 1 66 66 SER CB C 66 63.823 63.823 65.035 -1.212 19617 5447 1 13 . 1 1 66 66 SER H H 66 8.938 8.938 8.720 0.218 19617 5448 1 13 . 1 1 67 67 THR N N 67 113.595 113.595 120.886 -7.291 19617 5449 1 13 . 1 1 67 67 THR HA H 67 4.649 4.649 4.698 -0.049 19617 5450 1 13 . 1 1 67 67 THR CA C 67 59.216 59.216 62.434 -3.218 19617 5451 1 13 . 1 1 67 67 THR CB C 67 69.006 69.006 71.796 -2.790 19617 5452 1 13 . 1 1 67 67 THR H H 67 8.257 8.257 8.362 -0.105 19617 5453 1 13 . 1 1 68 68 LEU N N 68 124.152 124.152 124.921 -0.769 19617 5454 1 13 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.718 -0.356 19617 5455 1 13 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.196 0.916 19617 5456 1 13 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.311 -0.396 19617 5457 1 13 . 1 1 68 68 LEU H H 68 8.616 8.616 8.357 0.259 19617 5458 1 13 . 1 1 69 69 ASN N N 69 115.820 115.820 117.340 -1.520 19617 5459 1 13 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.846 -0.186 19617 5460 1 13 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.320 0.136 19617 5461 1 13 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.221 2.084 19617 5462 1 13 . 1 1 69 69 ASN H H 69 7.965 7.965 7.957 0.008 19617 5463 1 13 . 1 1 70 70 GLN N N 70 114.562 114.562 119.009 -4.447 19617 5464 1 13 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.490 -0.564 19617 5465 1 13 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.391 -0.154 19617 5466 1 13 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.980 0.026 19617 5467 1 13 . 1 1 70 70 GLN H H 70 8.287 8.287 8.360 -0.073 19617 5468 1 13 . 1 1 71 71 GLY N N 71 108.005 108.005 114.951 -6.946 19617 5469 1 13 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.963 -1.277 19617 5470 1 13 . 1 1 71 71 GLY H H 71 8.520 8.520 8.322 0.198 19617 5471 1 13 . 1 1 72 72 ASN N N 72 117.787 117.787 121.518 -3.731 19617 5472 1 13 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.019 0.454 19617 5473 1 13 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.352 -0.661 19617 5474 1 13 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.234 -1.338 19617 5475 1 13 . 1 1 72 72 ASN H H 72 8.420 8.420 8.368 0.052 19617 5476 1 13 . 1 1 73 73 VAL N N 73 115.846 115.846 121.276 -5.430 19617 5477 1 13 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.316 0.211 19617 5478 1 13 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.241 -2.266 19617 5479 1 13 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.438 -0.259 19617 5480 1 13 . 1 1 73 73 VAL H H 73 8.990 8.990 9.216 -0.226 19617 5481 1 13 . 1 1 74 74 LYS N N 74 123.195 123.195 126.423 -3.228 19617 5482 1 13 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.634 0.520 19617 5483 1 13 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.590 -0.709 19617 5484 1 13 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.845 -0.248 19617 5485 1 13 . 1 1 74 74 LYS H H 74 8.715 8.715 8.511 0.204 19617 5486 1 13 . 1 1 75 75 VAL N N 75 129.521 129.521 127.780 1.741 19617 5487 1 13 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.795 -0.252 19617 5488 1 13 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.455 -0.639 19617 5489 1 13 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.839 -0.356 19617 5490 1 13 . 1 1 75 75 VAL H H 75 8.975 8.975 8.544 0.431 19617 5491 1 13 . 1 1 76 76 THR N N 76 120.544 120.544 123.442 -2.898 19617 5492 1 13 . 1 1 76 76 THR HA H 76 5.067 5.067 4.754 0.313 19617 5493 1 13 . 1 1 76 76 THR CA C 76 59.783 59.783 61.640 -1.857 19617 5494 1 13 . 1 1 76 76 THR CB C 76 70.733 70.733 71.631 -0.898 19617 5495 1 13 . 1 1 76 76 THR H H 76 8.650 8.650 8.495 0.155 19617 5496 1 13 . 1 1 77 77 ALA N N 77 126.453 126.453 126.888 -0.435 19617 5497 1 13 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.082 -0.702 19617 5498 1 13 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.783 -2.353 19617 5499 1 13 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.261 -1.717 19617 5500 1 13 . 1 1 77 77 ALA H H 77 8.674 8.674 8.777 -0.103 19617 5501 1 13 . 1 1 78 78 SER N N 78 113.566 113.566 115.553 -1.987 19617 5502 1 13 . 1 1 78 78 SER HA H 78 5.377 5.377 5.036 0.341 19617 5503 1 13 . 1 1 78 78 SER CA C 78 56.077 56.077 57.464 -1.387 19617 5504 1 13 . 1 1 78 78 SER CB C 78 65.730 65.730 65.963 -0.233 19617 5505 1 13 . 1 1 78 78 SER H H 78 8.116 8.116 7.945 0.171 19617 5506 1 13 . 1 1 79 79 ILE N N 79 121.070 121.070 123.867 -2.797 19617 5507 1 13 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.355 -0.207 19617 5508 1 13 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.659 1.465 19617 5509 1 13 . 1 1 79 79 ILE CB C 79 38.809 38.809 39.391 -0.582 19617 5510 1 13 . 1 1 79 79 ILE H H 79 8.446 8.446 7.832 0.614 19617 5511 1 13 . 1 1 80 80 GLY N N 80 117.155 117.155 117.420 -0.265 19617 5512 1 13 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.567 -0.561 19617 5513 1 13 . 1 1 80 80 GLY H H 80 8.899 8.899 8.698 0.201 19617 5514 1 13 . 1 1 81 81 GLY N N 81 110.715 110.715 111.541 -0.826 19617 5515 1 13 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.302 0.076 19617 5516 1 13 . 1 1 81 81 GLY H H 81 8.742 8.742 8.535 0.207 19617 5517 1 13 . 1 1 82 82 ILE N N 82 124.113 124.113 116.591 7.522 19617 5518 1 13 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.578 -0.376 19617 5519 1 13 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.846 -0.813 19617 5520 1 13 . 1 1 82 82 ILE CB C 82 36.777 36.777 41.158 -4.381 19617 5521 1 13 . 1 1 82 82 ILE H H 82 8.188 8.188 7.440 0.748 19617 5522 1 13 . 1 1 83 83 GLN N N 83 122.453 122.453 122.462 -0.009 19617 5523 1 13 . 1 1 83 83 GLN HA H 83 5.396 5.396 5.078 0.318 19617 5524 1 13 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.131 -1.111 19617 5525 1 13 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.346 0.169 19617 5526 1 13 . 1 1 83 83 GLN H H 83 8.423 8.423 8.405 0.018 19617 5527 1 13 . 1 1 84 84 GLY N N 84 111.436 111.436 108.956 2.480 19617 5528 1 13 . 1 1 84 84 GLY CA C 84 43.698 43.698 45.694 -1.996 19617 5529 1 13 . 1 1 84 84 GLY H H 84 8.931 8.931 8.228 0.703 19617 5530 1 13 . 1 1 85 85 SER N N 85 113.877 113.877 116.568 -2.691 19617 5531 1 13 . 1 1 85 85 SER HA H 85 5.843 5.843 4.923 0.920 19617 5532 1 13 . 1 1 85 85 SER CA C 85 56.264 56.264 56.763 -0.499 19617 5533 1 13 . 1 1 85 85 SER CB C 85 66.946 66.946 66.271 0.675 19617 5534 1 13 . 1 1 85 85 SER H H 85 8.710 8.710 8.285 0.425 19617 5535 1 13 . 1 1 86 86 THR N N 86 115.389 115.389 112.408 2.981 19617 5536 1 13 . 1 1 86 86 THR HA H 86 4.772 4.772 4.815 -0.043 19617 5537 1 13 . 1 1 86 86 THR CA C 86 60.313 60.313 61.036 -0.723 19617 5538 1 13 . 1 1 86 86 THR CB C 86 69.852 69.852 71.659 -1.807 19617 5539 1 13 . 1 1 86 86 THR H H 86 8.854 8.854 8.255 0.599 19617 5540 1 13 . 1 1 87 87 ASP N N 87 124.622 124.622 126.114 -1.492 19617 5541 1 13 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.854 0.584 19617 5542 1 13 . 1 1 87 87 ASP CA C 87 53.796 53.796 54.367 -0.571 19617 5543 1 13 . 1 1 87 87 ASP CB C 87 42.010 42.010 41.676 0.334 19617 5544 1 13 . 1 1 87 87 ASP H H 87 7.953 7.953 8.785 -0.832 19617 5545 1 13 . 1 1 88 88 PHE N N 88 123.577 123.577 126.554 -2.977 19617 5546 1 13 . 1 1 88 88 PHE HA H 88 4.933 4.933 4.863 0.070 19617 5547 1 13 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.869 0.099 19617 5548 1 13 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.312 0.572 19617 5549 1 13 . 1 1 88 88 PHE H H 88 9.094 9.094 8.591 0.503 19617 5550 1 13 . 1 1 89 89 LYS N N 89 126.966 126.966 125.486 1.480 19617 5551 1 13 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.745 0.292 19617 5552 1 13 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.297 -1.408 19617 5553 1 13 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.412 -0.743 19617 5554 1 13 . 1 1 89 89 LYS H H 89 7.269 7.269 8.246 -0.977 19617 5555 1 13 . 1 1 90 90 VAL N N 90 126.146 126.146 127.830 -1.684 19617 5556 1 13 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.157 -0.149 19617 5557 1 13 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.977 -1.430 19617 5558 1 13 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.297 -1.349 19617 5559 1 13 . 1 1 90 90 VAL H H 90 9.086 9.086 8.105 0.981 19617 5560 1 13 . 1 1 91 91 THR N N 91 120.506 120.506 120.198 0.308 19617 5561 1 13 . 1 1 91 91 THR HA H 91 4.568 4.568 4.850 -0.282 19617 5562 1 13 . 1 1 91 91 THR CA C 91 59.348 59.348 60.217 -0.869 19617 5563 1 13 . 1 1 91 91 THR CB C 91 68.970 68.970 70.706 -1.736 19617 5564 1 13 . 1 1 91 91 THR H H 91 8.757 8.757 8.078 0.679 19617 5565 1 14 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.615 -0.344 19617 5566 1 14 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.156 -1.935 19617 5567 1 14 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.559 -1.143 19617 5568 1 14 . 1 1 3 3 ALA N N 3 123.801 123.801 124.255 -0.454 19617 5569 1 14 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.536 -0.330 19617 5570 1 14 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.668 -0.273 19617 5571 1 14 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.986 -1.146 19617 5572 1 14 . 1 1 3 3 ALA H H 3 8.647 8.647 8.343 0.304 19617 5573 1 14 . 1 1 4 4 ALA N N 4 124.058 124.058 124.178 -0.120 19617 5574 1 14 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.306 0.373 19617 5575 1 14 . 1 1 4 4 ALA CA C 4 50.022 50.022 52.279 -2.257 19617 5576 1 14 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.345 0.552 19617 5577 1 14 . 1 1 4 4 ALA H H 4 8.239 8.239 8.160 0.079 19617 5578 1 14 . 1 1 5 5 LEU N N 5 124.019 124.019 120.634 3.385 19617 5579 1 14 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.596 -0.224 19617 5580 1 14 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.858 0.150 19617 5581 1 14 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.485 -0.243 19617 5582 1 14 . 1 1 5 5 LEU H H 5 8.560 8.560 8.177 0.383 19617 5583 1 14 . 1 1 6 6 VAL N N 6 123.358 123.358 120.970 2.388 19617 5584 1 14 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.305 -0.204 19617 5585 1 14 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.562 -0.222 19617 5586 1 14 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.480 -0.532 19617 5587 1 14 . 1 1 6 6 VAL H H 6 9.119 9.119 8.582 0.537 19617 5588 1 14 . 1 1 7 7 SER N N 7 112.139 112.139 112.274 -0.135 19617 5589 1 14 . 1 1 7 7 SER HA H 7 4.445 4.445 4.720 -0.275 19617 5590 1 14 . 1 1 7 7 SER CA C 7 56.349 56.349 58.621 -2.272 19617 5591 1 14 . 1 1 7 7 SER CB C 7 64.361 64.361 65.421 -1.060 19617 5592 1 14 . 1 1 7 7 SER H H 7 7.680 7.680 7.912 -0.232 19617 5593 1 14 . 1 1 8 8 ILE N N 8 118.677 118.677 120.387 -1.710 19617 5594 1 14 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.402 0.279 19617 5595 1 14 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.446 -1.300 19617 5596 1 14 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.072 -0.398 19617 5597 1 14 . 1 1 8 8 ILE H H 8 8.354 8.354 8.638 -0.284 19617 5598 1 14 . 1 1 9 9 SER N N 9 121.319 121.319 119.702 1.617 19617 5599 1 14 . 1 1 9 9 SER HA H 9 4.859 4.859 4.769 0.090 19617 5600 1 14 . 1 1 9 9 SER CA C 9 55.381 55.381 57.303 -1.921 19617 5601 1 14 . 1 1 9 9 SER CB C 9 64.243 64.243 64.042 0.201 19617 5602 1 14 . 1 1 9 9 SER H H 9 9.028 9.028 8.247 0.781 19617 5603 1 14 . 1 1 10 10 VAL N N 10 127.508 127.508 126.114 1.394 19617 5604 1 14 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.416 0.635 19617 5605 1 14 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.460 0.452 19617 5606 1 14 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.350 0.037 19617 5607 1 14 . 1 1 10 10 VAL H H 10 8.911 8.911 8.597 0.314 19617 5608 1 14 . 1 1 11 11 SER N N 11 121.861 121.861 124.310 -2.449 19617 5609 1 14 . 1 1 11 11 SER CB C 11 64.373 64.373 63.472 0.901 19617 5610 1 14 . 1 1 11 11 SER H H 11 9.205 9.205 8.201 1.004 19617 5611 1 14 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.515 0.195 19617 5612 1 14 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.401 -1.502 19617 5613 1 14 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.601 1.488 19617 5614 1 14 . 1 1 13 13 THR N N 13 116.138 116.138 114.822 1.316 19617 5615 1 14 . 1 1 13 13 THR HA H 13 4.766 4.766 4.493 0.273 19617 5616 1 14 . 1 1 13 13 THR CA C 13 60.153 60.153 60.735 -0.582 19617 5617 1 14 . 1 1 13 13 THR CB C 13 69.426 69.426 69.905 -0.479 19617 5618 1 14 . 1 1 13 13 THR H H 13 8.679 8.679 8.399 0.280 19617 5619 1 14 . 1 1 14 14 ASN N N 14 124.457 124.457 125.384 -0.927 19617 5620 1 14 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.993 -0.296 19617 5621 1 14 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.085 1.043 19617 5622 1 14 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.406 -1.813 19617 5623 1 14 . 1 1 14 14 ASN H H 14 8.710 8.710 8.892 -0.182 19617 5624 1 14 . 1 1 15 15 SER N N 15 113.672 113.672 117.028 -3.356 19617 5625 1 14 . 1 1 15 15 SER HA H 15 4.651 4.651 4.718 -0.067 19617 5626 1 14 . 1 1 15 15 SER CA C 15 55.644 55.644 57.384 -1.740 19617 5627 1 14 . 1 1 15 15 SER CB C 15 63.953 63.953 64.048 -0.095 19617 5628 1 14 . 1 1 15 15 SER H H 15 9.127 9.127 8.101 1.026 19617 5629 1 14 . 1 1 16 16 THR N N 16 113.578 113.578 113.553 0.025 19617 5630 1 14 . 1 1 16 16 THR HA H 16 4.975 4.975 4.613 0.362 19617 5631 1 14 . 1 1 16 16 THR CA C 16 58.445 58.445 61.122 -2.677 19617 5632 1 14 . 1 1 16 16 THR CB C 16 70.534 70.534 70.254 0.280 19617 5633 1 14 . 1 1 16 16 THR H H 16 7.962 7.962 8.160 -0.198 19617 5634 1 14 . 1 1 17 17 VAL N N 17 121.480 121.480 120.786 0.694 19617 5635 1 14 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.410 -0.088 19617 5636 1 14 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.409 -0.472 19617 5637 1 14 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.024 -0.620 19617 5638 1 14 . 1 1 17 17 VAL H H 17 7.969 7.969 8.965 -0.996 19617 5639 1 14 . 1 1 18 18 ALA N N 18 126.013 126.013 126.921 -0.908 19617 5640 1 14 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.329 -0.154 19617 5641 1 14 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.791 -0.828 19617 5642 1 14 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.768 -0.846 19617 5643 1 14 . 1 1 18 18 ALA H H 18 7.756 7.756 8.401 -0.645 19617 5644 1 14 . 1 1 19 19 LYS N N 19 119.740 119.740 122.153 -2.413 19617 5645 1 14 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.116 -0.627 19617 5646 1 14 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.990 0.782 19617 5647 1 14 . 1 1 19 19 LYS CB C 19 31.602 31.602 31.862 -0.260 19617 5648 1 14 . 1 1 19 19 LYS H H 19 7.892 7.892 8.408 -0.516 19617 5649 1 14 . 1 1 20 20 GLY N N 20 116.706 116.706 110.978 5.728 19617 5650 1 14 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.464 -1.700 19617 5651 1 14 . 1 1 20 20 GLY H H 20 8.615 8.615 8.432 0.183 19617 5652 1 14 . 1 1 21 21 LEU N N 21 123.004 123.004 124.091 -1.087 19617 5653 1 14 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.632 -0.042 19617 5654 1 14 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.353 -0.988 19617 5655 1 14 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.799 -5.837 19617 5656 1 14 . 1 1 21 21 LEU H H 21 8.013 8.013 7.766 0.247 19617 5657 1 14 . 1 1 22 22 GLN N N 22 117.502 117.502 117.940 -0.438 19617 5658 1 14 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.216 -0.090 19617 5659 1 14 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.594 -0.925 19617 5660 1 14 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.391 -0.477 19617 5661 1 14 . 1 1 22 22 GLN H H 22 8.223 8.223 8.409 -0.186 19617 5662 1 14 . 1 1 23 23 GLU N N 23 118.123 118.123 122.585 -4.462 19617 5663 1 14 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.836 -0.274 19617 5664 1 14 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.869 -2.002 19617 5665 1 14 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.968 -1.094 19617 5666 1 14 . 1 1 23 23 GLU H H 23 8.188 8.188 8.791 -0.603 19617 5667 1 14 . 1 1 24 24 ASN N N 24 125.843 125.843 120.168 5.675 19617 5668 1 14 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.289 -0.512 19617 5669 1 14 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.854 -0.343 19617 5670 1 14 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.099 -0.353 19617 5671 1 14 . 1 1 24 24 ASN H H 24 9.391 9.391 8.702 0.689 19617 5672 1 14 . 1 1 25 25 PHE N N 25 122.822 122.822 120.136 2.686 19617 5673 1 14 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.782 -0.132 19617 5674 1 14 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.704 0.419 19617 5675 1 14 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.063 -4.004 19617 5676 1 14 . 1 1 25 25 PHE H H 25 8.059 8.059 7.774 0.285 19617 5677 1 14 . 1 1 26 26 LYS N N 26 119.114 119.114 121.109 -1.995 19617 5678 1 14 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.639 0.605 19617 5679 1 14 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.098 -2.122 19617 5680 1 14 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.790 -0.129 19617 5681 1 14 . 1 1 26 26 LYS H H 26 9.255 9.255 8.091 1.164 19617 5682 1 14 . 1 1 27 27 ALA N N 27 125.586 125.586 127.889 -2.303 19617 5683 1 14 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.336 -0.073 19617 5684 1 14 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.471 -2.654 19617 5685 1 14 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.654 -0.494 19617 5686 1 14 . 1 1 27 27 ALA H H 27 9.119 9.119 8.665 0.454 19617 5687 1 14 . 1 1 28 28 THR N N 28 120.628 120.628 118.111 2.517 19617 5688 1 14 . 1 1 28 28 THR HA H 28 4.843 4.843 4.613 0.230 19617 5689 1 14 . 1 1 28 28 THR CA C 28 60.566 60.566 60.699 -0.133 19617 5690 1 14 . 1 1 28 28 THR CB C 28 69.478 69.478 69.947 -0.469 19617 5691 1 14 . 1 1 28 28 THR H H 28 9.061 9.061 7.978 1.083 19617 5692 1 14 . 1 1 29 29 GLY N N 29 115.787 115.787 112.709 3.078 19617 5693 1 14 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.678 0.638 19617 5694 1 14 . 1 1 29 29 GLY H H 29 9.663 9.663 8.630 1.033 19617 5695 1 14 . 1 1 30 30 ILE N N 30 123.084 123.084 119.648 3.436 19617 5696 1 14 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.643 0.138 19617 5697 1 14 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.573 -0.185 19617 5698 1 14 . 1 1 30 30 ILE CB C 30 36.883 36.883 38.293 -1.410 19617 5699 1 14 . 1 1 30 30 ILE H H 30 7.914 7.914 7.573 0.341 19617 5700 1 14 . 1 1 31 31 PHE N N 31 125.209 125.209 125.413 -0.204 19617 5701 1 14 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.053 0.317 19617 5702 1 14 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.387 1.100 19617 5703 1 14 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.234 -1.081 19617 5704 1 14 . 1 1 31 31 PHE H H 31 8.316 8.316 7.573 0.743 19617 5705 1 14 . 1 1 32 32 THR N N 32 113.843 113.843 114.577 -0.734 19617 5706 1 14 . 1 1 32 32 THR HA H 32 4.409 4.409 4.162 0.247 19617 5707 1 14 . 1 1 32 32 THR CA C 32 64.157 64.157 64.877 -0.720 19617 5708 1 14 . 1 1 32 32 THR CB C 32 68.540 68.540 68.863 -0.323 19617 5709 1 14 . 1 1 32 32 THR H H 32 9.335 9.335 8.579 0.756 19617 5710 1 14 . 1 1 33 33 ASP N N 33 118.799 118.799 120.925 -2.126 19617 5711 1 14 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.697 -0.075 19617 5712 1 14 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.528 -2.565 19617 5713 1 14 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.272 -2.778 19617 5714 1 14 . 1 1 33 33 ASP H H 33 7.689 7.689 8.552 -0.863 19617 5715 1 14 . 1 1 34 34 ASN N N 34 112.999 112.999 117.142 -4.143 19617 5716 1 14 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.861 -0.511 19617 5717 1 14 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.325 1.021 19617 5718 1 14 . 1 1 34 34 ASN CB C 34 36.490 36.490 39.891 -3.401 19617 5719 1 14 . 1 1 34 34 ASN H H 34 8.370 8.370 7.627 0.743 19617 5720 1 14 . 1 1 35 35 SER N N 35 115.544 115.544 118.378 -2.834 19617 5721 1 14 . 1 1 35 35 SER HA H 35 4.410 4.410 4.125 0.285 19617 5722 1 14 . 1 1 35 35 SER CA C 35 57.882 57.882 61.421 -3.539 19617 5723 1 14 . 1 1 35 35 SER CB C 35 63.770 63.770 63.542 0.228 19617 5724 1 14 . 1 1 35 35 SER H H 35 7.990 7.990 8.799 -0.809 19617 5725 1 14 . 1 1 36 36 ASN N N 36 116.055 116.055 115.705 0.350 19617 5726 1 14 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.098 -1.424 19617 5727 1 14 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.075 1.724 19617 5728 1 14 . 1 1 36 36 ASN H H 36 8.518 8.518 8.067 0.451 19617 5729 1 14 . 1 1 37 37 SER N N 37 113.193 113.193 117.330 -4.137 19617 5730 1 14 . 1 1 37 37 SER HA H 37 4.719 4.719 4.638 0.081 19617 5731 1 14 . 1 1 37 37 SER CA C 37 56.801 56.801 57.763 -0.962 19617 5732 1 14 . 1 1 37 37 SER CB C 37 64.872 64.872 65.681 -0.809 19617 5733 1 14 . 1 1 37 37 SER H H 37 8.667 8.667 8.442 0.225 19617 5734 1 14 . 1 1 38 38 ASP N N 38 123.964 123.964 128.890 -4.926 19617 5735 1 14 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.861 0.121 19617 5736 1 14 . 1 1 38 38 ASP CA C 38 54.201 54.201 54.014 0.187 19617 5737 1 14 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.721 -0.792 19617 5738 1 14 . 1 1 38 38 ASP H H 38 8.849 8.849 8.697 0.152 19617 5739 1 14 . 1 1 39 39 ILE N N 39 121.214 121.214 120.673 0.541 19617 5740 1 14 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.702 1.174 19617 5741 1 14 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.385 -2.678 19617 5742 1 14 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.962 1.124 19617 5743 1 14 . 1 1 39 39 ILE H H 39 8.816 8.816 8.762 0.054 19617 5744 1 14 . 1 1 40 40 THR N N 40 122.861 122.861 116.600 6.261 19617 5745 1 14 . 1 1 40 40 THR HA H 40 4.289 4.289 4.110 0.179 19617 5746 1 14 . 1 1 40 40 THR CB C 40 68.527 68.527 68.647 -0.120 19617 5747 1 14 . 1 1 40 40 THR H H 40 8.679 8.679 8.032 0.647 19617 5748 1 14 . 1 1 41 41 ASP N N 41 114.076 114.076 119.075 -4.999 19617 5749 1 14 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.803 -1.106 19617 5750 1 14 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.907 -0.429 19617 5751 1 14 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.804 -2.086 19617 5752 1 14 . 1 1 41 41 ASP H H 41 8.539 8.539 8.366 0.173 19617 5753 1 14 . 1 1 42 42 GLN N N 42 117.086 117.086 118.314 -1.228 19617 5754 1 14 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.953 0.193 19617 5755 1 14 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.015 -0.479 19617 5756 1 14 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.587 2.629 19617 5757 1 14 . 1 1 42 42 GLN H H 42 7.718 7.718 7.802 -0.084 19617 5758 1 14 . 1 1 43 43 VAL N N 43 109.916 109.916 120.608 -10.692 19617 5759 1 14 . 1 1 43 43 VAL HA H 43 4.091 4.091 4.255 -0.164 19617 5760 1 14 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.187 -4.347 19617 5761 1 14 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.429 -1.156 19617 5762 1 14 . 1 1 43 43 VAL H H 43 6.902 6.902 8.106 -1.204 19617 5763 1 14 . 1 1 44 44 THR N N 44 116.270 116.270 125.799 -9.529 19617 5764 1 14 . 1 1 44 44 THR HA H 44 4.311 4.311 4.502 -0.191 19617 5765 1 14 . 1 1 44 44 THR CA C 44 61.651 61.651 62.204 -0.553 19617 5766 1 14 . 1 1 44 44 THR CB C 44 68.890 68.890 68.948 -0.059 19617 5767 1 14 . 1 1 44 44 THR H H 44 8.787 8.787 8.387 0.400 19617 5768 1 14 . 1 1 45 45 TRP N N 45 132.099 132.099 125.695 6.404 19617 5769 1 14 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.589 -0.343 19617 5770 1 14 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.545 0.842 19617 5771 1 14 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.853 -0.776 19617 5772 1 14 . 1 1 45 45 TRP H H 45 10.351 10.351 7.983 2.368 19617 5773 1 14 . 1 1 46 46 ASP N N 46 121.897 121.897 121.163 0.734 19617 5774 1 14 . 1 1 46 46 ASP HA H 46 4.859 4.859 4.989 -0.130 19617 5775 1 14 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.602 -1.804 19617 5776 1 14 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.150 -0.075 19617 5777 1 14 . 1 1 46 46 ASP H H 46 9.471 9.471 8.710 0.761 19617 5778 1 14 . 1 1 47 47 SER N N 47 113.805 113.805 116.848 -3.043 19617 5779 1 14 . 1 1 47 47 SER HA H 47 5.044 5.044 4.786 0.258 19617 5780 1 14 . 1 1 47 47 SER CA C 47 53.059 53.059 57.157 -4.098 19617 5781 1 14 . 1 1 47 47 SER CB C 47 64.880 64.880 65.301 -0.421 19617 5782 1 14 . 1 1 47 47 SER H H 47 8.502 8.502 8.526 -0.024 19617 5783 1 14 . 1 1 48 48 SER N N 48 119.614 119.614 118.463 1.151 19617 5784 1 14 . 1 1 48 48 SER HA H 48 4.281 4.281 4.530 -0.249 19617 5785 1 14 . 1 1 48 48 SER CA C 48 59.404 59.404 58.348 1.056 19617 5786 1 14 . 1 1 48 48 SER CB C 48 62.026 62.026 64.394 -2.368 19617 5787 1 14 . 1 1 48 48 SER H H 48 8.518 8.518 8.386 0.131 19617 5788 1 14 . 1 1 49 49 ASN N N 49 118.260 118.260 116.526 1.734 19617 5789 1 14 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.548 0.347 19617 5790 1 14 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.811 -1.970 19617 5791 1 14 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.810 -1.090 19617 5792 1 14 . 1 1 49 49 ASN H H 49 7.816 7.816 8.527 -0.711 19617 5793 1 14 . 1 1 50 50 THR N N 50 119.289 119.289 111.562 7.727 19617 5794 1 14 . 1 1 50 50 THR HA H 50 4.567 4.567 4.599 -0.032 19617 5795 1 14 . 1 1 50 50 THR CA C 50 62.137 62.137 62.358 -0.221 19617 5796 1 14 . 1 1 50 50 THR CB C 50 67.100 67.100 69.385 -2.284 19617 5797 1 14 . 1 1 50 50 THR H H 50 9.048 9.048 8.325 0.723 19617 5798 1 14 . 1 1 51 51 ASP N N 51 118.825 118.825 122.705 -3.880 19617 5799 1 14 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.625 -0.048 19617 5800 1 14 . 1 1 51 51 ASP CA C 51 54.690 54.690 56.524 -1.834 19617 5801 1 14 . 1 1 51 51 ASP CB C 51 39.658 39.658 41.449 -1.791 19617 5802 1 14 . 1 1 51 51 ASP H H 51 8.251 8.251 8.485 -0.234 19617 5803 1 14 . 1 1 52 52 ILE N N 52 118.410 118.410 118.076 0.334 19617 5804 1 14 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.322 -0.396 19617 5805 1 14 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.934 0.746 19617 5806 1 14 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.683 0.213 19617 5807 1 14 . 1 1 52 52 ILE H H 52 7.169 7.169 7.904 -0.735 19617 5808 1 14 . 1 1 53 53 LEU N N 53 120.129 120.129 127.450 -7.321 19617 5809 1 14 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.909 0.113 19617 5810 1 14 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.186 0.095 19617 5811 1 14 . 1 1 53 53 LEU CB C 53 46.405 46.405 43.175 3.230 19617 5812 1 14 . 1 1 53 53 LEU H H 53 7.876 7.876 8.180 -0.304 19617 5813 1 14 . 1 1 54 54 SER N N 54 122.249 122.249 120.637 1.612 19617 5814 1 14 . 1 1 54 54 SER HA H 54 4.954 4.954 4.685 0.269 19617 5815 1 14 . 1 1 54 54 SER CA C 54 54.724 54.724 57.566 -2.842 19617 5816 1 14 . 1 1 54 54 SER CB C 54 64.417 64.417 65.208 -0.791 19617 5817 1 14 . 1 1 54 54 SER H H 54 8.650 8.650 8.854 -0.204 19617 5818 1 14 . 1 1 55 55 ILE N N 55 123.973 123.973 125.214 -1.241 19617 5819 1 14 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.109 0.793 19617 5820 1 14 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.832 -0.964 19617 5821 1 14 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.080 1.338 19617 5822 1 14 . 1 1 55 55 ILE H H 55 9.081 9.081 8.142 0.939 19617 5823 1 14 . 1 1 56 56 SER N N 56 119.541 119.541 122.079 -2.538 19617 5824 1 14 . 1 1 56 56 SER HA H 56 4.384 4.384 4.238 0.146 19617 5825 1 14 . 1 1 56 56 SER CA C 56 56.626 56.626 56.895 -0.269 19617 5826 1 14 . 1 1 56 56 SER CB C 56 63.106 63.106 65.216 -2.110 19617 5827 1 14 . 1 1 56 56 SER H H 56 7.905 7.905 8.599 -0.694 19617 5828 1 14 . 1 1 57 57 ASN N N 57 124.208 124.208 123.956 0.252 19617 5829 1 14 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.899 0.117 19617 5830 1 14 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.225 -0.756 19617 5831 1 14 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.819 0.271 19617 5832 1 14 . 1 1 57 57 ASN H H 57 8.945 8.945 8.717 0.228 19617 5833 1 14 . 1 1 58 58 ALA N N 58 124.301 124.301 121.989 2.312 19617 5834 1 14 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.649 -0.514 19617 5835 1 14 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.973 -0.686 19617 5836 1 14 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.438 -1.084 19617 5837 1 14 . 1 1 58 58 ALA H H 58 8.150 8.150 8.007 0.143 19617 5838 1 14 . 1 1 59 59 SER N N 59 113.293 113.293 115.579 -2.286 19617 5839 1 14 . 1 1 59 59 SER HA H 59 4.706 4.706 4.485 0.221 19617 5840 1 14 . 1 1 59 59 SER CA C 59 60.003 60.003 60.467 -0.464 19617 5841 1 14 . 1 1 59 59 SER CB C 59 62.574 62.574 64.269 -1.695 19617 5842 1 14 . 1 1 59 59 SER H H 59 8.377 8.377 8.640 -0.263 19617 5843 1 14 . 1 1 60 60 ASP N N 60 116.272 116.272 118.672 -2.400 19617 5844 1 14 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.804 -0.133 19617 5845 1 14 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.085 -2.326 19617 5846 1 14 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.757 -1.045 19617 5847 1 14 . 1 1 60 60 ASP H H 60 8.310 8.310 8.346 -0.036 19617 5848 1 14 . 1 1 61 61 SER N N 61 112.651 112.651 115.547 -2.896 19617 5849 1 14 . 1 1 61 61 SER HA H 61 4.630 4.630 4.044 0.586 19617 5850 1 14 . 1 1 61 61 SER CA C 61 56.180 56.180 60.367 -4.186 19617 5851 1 14 . 1 1 61 61 SER CB C 61 61.843 61.843 62.258 -0.415 19617 5852 1 14 . 1 1 61 61 SER H H 61 7.588 7.588 8.579 -0.991 19617 5853 1 14 . 1 1 62 62 HIS N N 62 119.790 119.790 125.151 -5.361 19617 5854 1 14 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.624 -0.578 19617 5855 1 14 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.905 0.014 19617 5856 1 14 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.399 -2.875 19617 5857 1 14 . 1 1 62 62 HIS H H 62 8.030 8.030 8.129 -0.099 19617 5858 1 14 . 1 1 63 63 GLY N N 63 113.297 113.297 111.506 1.791 19617 5859 1 14 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.714 -0.061 19617 5860 1 14 . 1 1 63 63 GLY H H 63 8.733 8.733 7.823 0.910 19617 5861 1 14 . 1 1 64 64 LEU N N 64 120.663 120.663 122.604 -1.941 19617 5862 1 14 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.062 -0.676 19617 5863 1 14 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.472 1.421 19617 5864 1 14 . 1 1 64 64 LEU CB C 64 41.463 41.463 41.324 0.139 19617 5865 1 14 . 1 1 64 64 LEU H H 64 7.680 7.680 7.938 -0.258 19617 5866 1 14 . 1 1 65 65 ALA N N 65 108.347 108.347 127.830 -19.483 19617 5867 1 14 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.634 0.768 19617 5868 1 14 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.135 -0.868 19617 5869 1 14 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.466 1.089 19617 5870 1 14 . 1 1 65 65 ALA H H 65 9.874 9.874 8.783 1.091 19617 5871 1 14 . 1 1 66 66 SER N N 66 115.950 115.950 120.410 -4.460 19617 5872 1 14 . 1 1 66 66 SER HA H 66 4.906 4.906 5.532 -0.626 19617 5873 1 14 . 1 1 66 66 SER CA C 66 56.645 56.645 56.580 0.065 19617 5874 1 14 . 1 1 66 66 SER CB C 66 63.823 63.823 65.385 -1.562 19617 5875 1 14 . 1 1 66 66 SER H H 66 8.938 8.938 8.698 0.240 19617 5876 1 14 . 1 1 67 67 THR N N 67 113.595 113.595 118.889 -5.294 19617 5877 1 14 . 1 1 67 67 THR HA H 67 4.649 4.649 5.061 -0.412 19617 5878 1 14 . 1 1 67 67 THR CA C 67 59.216 59.216 60.880 -1.664 19617 5879 1 14 . 1 1 67 67 THR CB C 67 69.006 69.006 71.836 -2.830 19617 5880 1 14 . 1 1 67 67 THR H H 67 8.257 8.257 8.199 0.058 19617 5881 1 14 . 1 1 68 68 LEU N N 68 124.152 124.152 125.861 -1.709 19617 5882 1 14 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.750 -0.388 19617 5883 1 14 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.230 -0.118 19617 5884 1 14 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.970 -1.055 19617 5885 1 14 . 1 1 68 68 LEU H H 68 8.616 8.616 8.180 0.436 19617 5886 1 14 . 1 1 69 69 ASN N N 69 115.820 115.820 120.228 -4.408 19617 5887 1 14 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.905 -0.245 19617 5888 1 14 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.285 0.171 19617 5889 1 14 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.746 1.560 19617 5890 1 14 . 1 1 69 69 ASN H H 69 7.965 7.965 8.253 -0.288 19617 5891 1 14 . 1 1 70 70 GLN N N 70 114.562 114.562 119.584 -5.022 19617 5892 1 14 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.459 -0.533 19617 5893 1 14 . 1 1 70 70 GLN CA C 70 55.237 55.237 56.134 -0.897 19617 5894 1 14 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.330 0.676 19617 5895 1 14 . 1 1 70 70 GLN H H 70 8.287 8.287 8.610 -0.323 19617 5896 1 14 . 1 1 71 71 GLY N N 71 108.005 108.005 110.130 -2.125 19617 5897 1 14 . 1 1 71 71 GLY CA C 71 43.686 43.686 46.067 -2.381 19617 5898 1 14 . 1 1 71 71 GLY H H 71 8.520 8.520 8.116 0.404 19617 5899 1 14 . 1 1 72 72 ASN N N 72 117.787 117.787 119.839 -2.052 19617 5900 1 14 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.980 0.493 19617 5901 1 14 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.627 -0.936 19617 5902 1 14 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.262 -1.366 19617 5903 1 14 . 1 1 72 72 ASN H H 72 8.420 8.420 8.339 0.081 19617 5904 1 14 . 1 1 73 73 VAL N N 73 115.846 115.846 122.152 -6.306 19617 5905 1 14 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.311 0.216 19617 5906 1 14 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.104 -2.129 19617 5907 1 14 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.565 -0.386 19617 5908 1 14 . 1 1 73 73 VAL H H 73 8.990 8.990 9.247 -0.257 19617 5909 1 14 . 1 1 74 74 LYS N N 74 123.195 123.195 126.205 -3.010 19617 5910 1 14 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.671 0.483 19617 5911 1 14 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.874 -0.993 19617 5912 1 14 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.169 -0.572 19617 5913 1 14 . 1 1 74 74 LYS H H 74 8.715 8.715 8.506 0.209 19617 5914 1 14 . 1 1 75 75 VAL N N 75 129.521 129.521 122.698 6.823 19617 5915 1 14 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.808 -0.265 19617 5916 1 14 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.332 0.484 19617 5917 1 14 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.232 -0.749 19617 5918 1 14 . 1 1 75 75 VAL H H 75 8.975 8.975 8.147 0.828 19617 5919 1 14 . 1 1 76 76 THR N N 76 120.544 120.544 120.350 0.194 19617 5920 1 14 . 1 1 76 76 THR HA H 76 5.067 5.067 4.727 0.340 19617 5921 1 14 . 1 1 76 76 THR CA C 76 59.783 59.783 60.928 -1.145 19617 5922 1 14 . 1 1 76 76 THR CB C 76 70.733 70.733 70.577 0.156 19617 5923 1 14 . 1 1 76 76 THR H H 76 8.650 8.650 8.710 -0.060 19617 5924 1 14 . 1 1 77 77 ALA N N 77 126.453 126.453 127.715 -1.262 19617 5925 1 14 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.423 -1.043 19617 5926 1 14 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.027 -2.597 19617 5927 1 14 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.599 -2.055 19617 5928 1 14 . 1 1 77 77 ALA H H 77 8.674 8.674 8.336 0.338 19617 5929 1 14 . 1 1 78 78 SER N N 78 113.566 113.566 116.660 -3.094 19617 5930 1 14 . 1 1 78 78 SER HA H 78 5.377 5.377 4.872 0.505 19617 5931 1 14 . 1 1 78 78 SER CA C 78 56.077 56.077 57.850 -1.773 19617 5932 1 14 . 1 1 78 78 SER CB C 78 65.730 65.730 65.676 0.054 19617 5933 1 14 . 1 1 78 78 SER H H 78 8.116 8.116 8.237 -0.121 19617 5934 1 14 . 1 1 79 79 ILE N N 79 121.070 121.070 125.009 -3.939 19617 5935 1 14 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.562 -0.414 19617 5936 1 14 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.641 1.483 19617 5937 1 14 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.636 -2.827 19617 5938 1 14 . 1 1 79 79 ILE H H 79 8.446 8.446 7.765 0.681 19617 5939 1 14 . 1 1 80 80 GLY N N 80 117.155 117.155 114.123 3.032 19617 5940 1 14 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.828 -0.822 19617 5941 1 14 . 1 1 80 80 GLY H H 80 8.899 8.899 8.763 0.136 19617 5942 1 14 . 1 1 81 81 GLY N N 81 110.715 110.715 110.799 -0.084 19617 5943 1 14 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.554 -0.176 19617 5944 1 14 . 1 1 81 81 GLY H H 81 8.742 8.742 8.542 0.200 19617 5945 1 14 . 1 1 82 82 ILE N N 82 124.113 124.113 122.139 1.974 19617 5946 1 14 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.205 -0.003 19617 5947 1 14 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.632 -1.599 19617 5948 1 14 . 1 1 82 82 ILE CB C 82 36.777 36.777 39.962 -3.185 19617 5949 1 14 . 1 1 82 82 ILE H H 82 8.188 8.188 7.457 0.731 19617 5950 1 14 . 1 1 83 83 GLN N N 83 122.453 122.453 124.870 -2.417 19617 5951 1 14 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.683 0.713 19617 5952 1 14 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.876 -0.856 19617 5953 1 14 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.131 0.384 19617 5954 1 14 . 1 1 83 83 GLN H H 83 8.423 8.423 8.287 0.136 19617 5955 1 14 . 1 1 84 84 GLY N N 84 111.436 111.436 109.768 1.668 19617 5956 1 14 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.428 -0.730 19617 5957 1 14 . 1 1 84 84 GLY H H 84 8.931 8.931 8.632 0.299 19617 5958 1 14 . 1 1 85 85 SER N N 85 113.877 113.877 116.655 -2.778 19617 5959 1 14 . 1 1 85 85 SER HA H 85 5.843 5.843 4.971 0.872 19617 5960 1 14 . 1 1 85 85 SER CA C 85 56.264 56.264 57.578 -1.314 19617 5961 1 14 . 1 1 85 85 SER CB C 85 66.946 66.946 66.285 0.661 19617 5962 1 14 . 1 1 85 85 SER H H 85 8.710 8.710 8.455 0.255 19617 5963 1 14 . 1 1 86 86 THR N N 86 115.389 115.389 117.109 -1.720 19617 5964 1 14 . 1 1 86 86 THR HA H 86 4.772 4.772 4.792 -0.020 19617 5965 1 14 . 1 1 86 86 THR CA C 86 60.313 60.313 60.505 -0.192 19617 5966 1 14 . 1 1 86 86 THR CB C 86 69.852 69.852 70.875 -1.023 19617 5967 1 14 . 1 1 86 86 THR H H 86 8.854 8.854 8.377 0.477 19617 5968 1 14 . 1 1 87 87 ASP N N 87 124.622 124.622 124.039 0.583 19617 5969 1 14 . 1 1 87 87 ASP HA H 87 5.438 5.438 5.013 0.425 19617 5970 1 14 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.406 0.390 19617 5971 1 14 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.519 -1.509 19617 5972 1 14 . 1 1 87 87 ASP H H 87 7.953 7.953 8.268 -0.315 19617 5973 1 14 . 1 1 88 88 PHE N N 88 123.577 123.577 124.397 -0.820 19617 5974 1 14 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.165 -0.232 19617 5975 1 14 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.585 0.383 19617 5976 1 14 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.430 0.454 19617 5977 1 14 . 1 1 88 88 PHE H H 88 9.094 9.094 9.157 -0.063 19617 5978 1 14 . 1 1 89 89 LYS N N 89 126.966 126.966 125.814 1.152 19617 5979 1 14 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.722 0.315 19617 5980 1 14 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.443 -1.554 19617 5981 1 14 . 1 1 89 89 LYS CB C 89 34.669 34.669 33.957 0.712 19617 5982 1 14 . 1 1 89 89 LYS H H 89 7.269 7.269 8.224 -0.955 19617 5983 1 14 . 1 1 90 90 VAL N N 90 126.146 126.146 128.001 -1.855 19617 5984 1 14 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.128 -0.120 19617 5985 1 14 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.689 -1.142 19617 5986 1 14 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.714 -0.766 19617 5987 1 14 . 1 1 90 90 VAL H H 90 9.086 9.086 8.132 0.954 19617 5988 1 14 . 1 1 91 91 THR N N 91 120.506 120.506 119.857 0.649 19617 5989 1 14 . 1 1 91 91 THR HA H 91 4.568 4.568 4.585 -0.017 19617 5990 1 14 . 1 1 91 91 THR CA C 91 59.348 59.348 60.711 -1.363 19617 5991 1 14 . 1 1 91 91 THR CB C 91 68.970 68.970 70.501 -1.531 19617 5992 1 14 . 1 1 91 91 THR H H 91 8.757 8.757 7.889 0.868 19617 5993 1 15 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.618 -0.347 19617 5994 1 15 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.582 -1.361 19617 5995 1 15 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.500 -1.084 19617 5996 1 15 . 1 1 3 3 ALA N N 3 123.801 123.801 123.475 0.326 19617 5997 1 15 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.175 0.031 19617 5998 1 15 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.015 -0.620 19617 5999 1 15 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.416 -0.576 19617 6000 1 15 . 1 1 3 3 ALA H H 3 8.647 8.647 8.161 0.486 19617 6001 1 15 . 1 1 4 4 ALA N N 4 124.058 124.058 120.646 3.412 19617 6002 1 15 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.346 0.333 19617 6003 1 15 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.667 -1.645 19617 6004 1 15 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.603 0.294 19617 6005 1 15 . 1 1 4 4 ALA H H 4 8.239 8.239 8.188 0.051 19617 6006 1 15 . 1 1 5 5 LEU N N 5 124.019 124.019 121.479 2.540 19617 6007 1 15 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.136 -0.764 19617 6008 1 15 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.464 -0.456 19617 6009 1 15 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.554 -1.312 19617 6010 1 15 . 1 1 5 5 LEU H H 5 8.560 8.560 8.442 0.118 19617 6011 1 15 . 1 1 6 6 VAL N N 6 123.358 123.358 117.666 5.692 19617 6012 1 15 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.429 -0.328 19617 6013 1 15 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.473 -0.133 19617 6014 1 15 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.971 -1.023 19617 6015 1 15 . 1 1 6 6 VAL H H 6 9.119 9.119 8.356 0.763 19617 6016 1 15 . 1 1 7 7 SER N N 7 112.139 112.139 111.348 0.791 19617 6017 1 15 . 1 1 7 7 SER HA H 7 4.445 4.445 4.858 -0.413 19617 6018 1 15 . 1 1 7 7 SER CA C 7 56.349 56.349 58.438 -2.090 19617 6019 1 15 . 1 1 7 7 SER CB C 7 64.361 64.361 65.418 -1.057 19617 6020 1 15 . 1 1 7 7 SER H H 7 7.680 7.680 7.943 -0.263 19617 6021 1 15 . 1 1 8 8 ILE N N 8 118.677 118.677 120.771 -2.094 19617 6022 1 15 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.464 0.217 19617 6023 1 15 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.585 -0.439 19617 6024 1 15 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.974 -0.300 19617 6025 1 15 . 1 1 8 8 ILE H H 8 8.354 8.354 8.663 -0.309 19617 6026 1 15 . 1 1 9 9 SER N N 9 121.319 121.319 124.606 -3.287 19617 6027 1 15 . 1 1 9 9 SER HA H 9 4.859 4.859 4.728 0.131 19617 6028 1 15 . 1 1 9 9 SER CA C 9 55.381 55.381 57.507 -2.126 19617 6029 1 15 . 1 1 9 9 SER CB C 9 64.243 64.243 63.593 0.650 19617 6030 1 15 . 1 1 9 9 SER H H 9 9.028 9.028 8.236 0.792 19617 6031 1 15 . 1 1 10 10 VAL N N 10 127.508 127.508 125.901 1.607 19617 6032 1 15 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.293 0.758 19617 6033 1 15 . 1 1 10 10 VAL CA C 10 60.912 60.912 61.061 -0.149 19617 6034 1 15 . 1 1 10 10 VAL CB C 10 33.387 33.387 32.922 0.466 19617 6035 1 15 . 1 1 10 10 VAL H H 10 8.911 8.911 8.495 0.416 19617 6036 1 15 . 1 1 11 11 SER N N 11 121.861 121.861 124.500 -2.639 19617 6037 1 15 . 1 1 11 11 SER CB C 11 64.373 64.373 62.952 1.421 19617 6038 1 15 . 1 1 11 11 SER H H 11 9.205 9.205 8.314 0.891 19617 6039 1 15 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.155 0.555 19617 6040 1 15 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.259 -1.360 19617 6041 1 15 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.121 1.968 19617 6042 1 15 . 1 1 13 13 THR N N 13 116.138 116.138 116.769 -0.631 19617 6043 1 15 . 1 1 13 13 THR HA H 13 4.766 4.766 4.312 0.454 19617 6044 1 15 . 1 1 13 13 THR CA C 13 60.153 60.153 61.003 -0.850 19617 6045 1 15 . 1 1 13 13 THR CB C 13 69.426 69.426 70.184 -0.758 19617 6046 1 15 . 1 1 13 13 THR H H 13 8.679 8.679 7.931 0.748 19617 6047 1 15 . 1 1 14 14 ASN N N 14 124.457 124.457 124.499 -0.042 19617 6048 1 15 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.063 -0.366 19617 6049 1 15 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.211 0.917 19617 6050 1 15 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.657 -2.064 19617 6051 1 15 . 1 1 14 14 ASN H H 14 8.710 8.710 8.688 0.022 19617 6052 1 15 . 1 1 15 15 SER N N 15 113.672 113.672 118.114 -4.442 19617 6053 1 15 . 1 1 15 15 SER HA H 15 4.651 4.651 4.761 -0.110 19617 6054 1 15 . 1 1 15 15 SER CA C 15 55.644 55.644 56.898 -1.254 19617 6055 1 15 . 1 1 15 15 SER CB C 15 63.953 63.953 65.369 -1.416 19617 6056 1 15 . 1 1 15 15 SER H H 15 9.127 9.127 8.485 0.642 19617 6057 1 15 . 1 1 16 16 THR N N 16 113.578 113.578 113.927 -0.349 19617 6058 1 15 . 1 1 16 16 THR HA H 16 4.975 4.975 4.824 0.151 19617 6059 1 15 . 1 1 16 16 THR CA C 16 58.445 58.445 60.632 -2.187 19617 6060 1 15 . 1 1 16 16 THR CB C 16 70.534 70.534 70.639 -0.105 19617 6061 1 15 . 1 1 16 16 THR H H 16 7.962 7.962 8.206 -0.244 19617 6062 1 15 . 1 1 17 17 VAL N N 17 121.480 121.480 120.848 0.632 19617 6063 1 15 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.610 -0.288 19617 6064 1 15 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.905 0.032 19617 6065 1 15 . 1 1 17 17 VAL CB C 17 35.404 35.404 34.949 0.455 19617 6066 1 15 . 1 1 17 17 VAL H H 17 7.969 7.969 8.882 -0.913 19617 6067 1 15 . 1 1 18 18 ALA N N 18 126.013 126.013 126.874 -0.861 19617 6068 1 15 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.497 -0.322 19617 6069 1 15 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.853 -0.890 19617 6070 1 15 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.748 -0.826 19617 6071 1 15 . 1 1 18 18 ALA H H 18 7.756 7.756 8.357 -0.601 19617 6072 1 15 . 1 1 19 19 LYS N N 19 119.740 119.740 122.714 -2.974 19617 6073 1 15 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.152 -0.663 19617 6074 1 15 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.216 0.556 19617 6075 1 15 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.587 -0.985 19617 6076 1 15 . 1 1 19 19 LYS H H 19 7.892 7.892 8.464 -0.572 19617 6077 1 15 . 1 1 20 20 GLY N N 20 116.706 116.706 112.988 3.718 19617 6078 1 15 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.662 -1.899 19617 6079 1 15 . 1 1 20 20 GLY H H 20 8.615 8.615 8.558 0.057 19617 6080 1 15 . 1 1 21 21 LEU N N 21 123.004 123.004 124.399 -1.395 19617 6081 1 15 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.631 -0.041 19617 6082 1 15 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.875 -0.510 19617 6083 1 15 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.361 -5.399 19617 6084 1 15 . 1 1 21 21 LEU H H 21 8.013 8.013 7.726 0.287 19617 6085 1 15 . 1 1 22 22 GLN N N 22 117.502 117.502 117.205 0.297 19617 6086 1 15 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.183 -0.057 19617 6087 1 15 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.863 -1.194 19617 6088 1 15 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.777 -0.863 19617 6089 1 15 . 1 1 22 22 GLN H H 22 8.223 8.223 8.299 -0.076 19617 6090 1 15 . 1 1 23 23 GLU N N 23 118.123 118.123 123.454 -5.331 19617 6091 1 15 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.763 -0.201 19617 6092 1 15 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.953 -2.086 19617 6093 1 15 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.581 -0.707 19617 6094 1 15 . 1 1 23 23 GLU H H 23 8.188 8.188 8.873 -0.685 19617 6095 1 15 . 1 1 24 24 ASN N N 24 125.843 125.843 120.389 5.454 19617 6096 1 15 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.866 -1.089 19617 6097 1 15 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.317 0.194 19617 6098 1 15 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.901 -0.155 19617 6099 1 15 . 1 1 24 24 ASN H H 24 9.391 9.391 8.639 0.752 19617 6100 1 15 . 1 1 25 25 PHE N N 25 122.822 122.822 120.862 1.960 19617 6101 1 15 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.832 -0.182 19617 6102 1 15 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.405 0.718 19617 6103 1 15 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.450 -4.391 19617 6104 1 15 . 1 1 25 25 PHE H H 25 8.059 8.059 9.025 -0.966 19617 6105 1 15 . 1 1 26 26 LYS N N 26 119.114 119.114 118.981 0.133 19617 6106 1 15 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.638 0.606 19617 6107 1 15 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.111 -3.135 19617 6108 1 15 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.005 -1.344 19617 6109 1 15 . 1 1 26 26 LYS H H 26 9.255 9.255 8.734 0.521 19617 6110 1 15 . 1 1 27 27 ALA N N 27 125.586 125.586 128.553 -2.967 19617 6111 1 15 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.140 0.123 19617 6112 1 15 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.264 -2.447 19617 6113 1 15 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.957 -0.797 19617 6114 1 15 . 1 1 27 27 ALA H H 27 9.119 9.119 8.682 0.437 19617 6115 1 15 . 1 1 28 28 THR N N 28 120.628 120.628 119.661 0.967 19617 6116 1 15 . 1 1 28 28 THR HA H 28 4.843 4.843 4.702 0.141 19617 6117 1 15 . 1 1 28 28 THR CA C 28 60.566 60.566 60.170 0.396 19617 6118 1 15 . 1 1 28 28 THR CB C 28 69.478 69.478 69.930 -0.452 19617 6119 1 15 . 1 1 28 28 THR H H 28 9.061 9.061 7.941 1.120 19617 6120 1 15 . 1 1 29 29 GLY N N 29 115.787 115.787 115.574 0.213 19617 6121 1 15 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.652 0.664 19617 6122 1 15 . 1 1 29 29 GLY H H 29 9.663 9.663 8.122 1.541 19617 6123 1 15 . 1 1 30 30 ILE N N 30 123.084 123.084 120.235 2.849 19617 6124 1 15 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.215 0.566 19617 6125 1 15 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.973 -0.585 19617 6126 1 15 . 1 1 30 30 ILE CB C 30 36.883 36.883 38.307 -1.424 19617 6127 1 15 . 1 1 30 30 ILE H H 30 7.914 7.914 7.543 0.371 19617 6128 1 15 . 1 1 31 31 PHE N N 31 125.209 125.209 123.676 1.533 19617 6129 1 15 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.933 0.437 19617 6130 1 15 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.170 0.317 19617 6131 1 15 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.210 -0.057 19617 6132 1 15 . 1 1 31 31 PHE H H 31 8.316 8.316 7.843 0.473 19617 6133 1 15 . 1 1 32 32 THR N N 32 113.843 113.843 116.120 -2.277 19617 6134 1 15 . 1 1 32 32 THR HA H 32 4.409 4.409 4.209 0.200 19617 6135 1 15 . 1 1 32 32 THR CA C 32 64.157 64.157 65.111 -0.953 19617 6136 1 15 . 1 1 32 32 THR CB C 32 68.540 68.540 68.472 0.068 19617 6137 1 15 . 1 1 32 32 THR H H 32 9.335 9.335 8.638 0.697 19617 6138 1 15 . 1 1 33 33 ASP N N 33 118.799 118.799 119.195 -0.396 19617 6139 1 15 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.678 -0.056 19617 6140 1 15 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.465 -1.502 19617 6141 1 15 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.437 -1.942 19617 6142 1 15 . 1 1 33 33 ASP H H 33 7.689 7.689 8.243 -0.554 19617 6143 1 15 . 1 1 34 34 ASN N N 34 112.999 112.999 116.786 -3.787 19617 6144 1 15 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.404 -0.054 19617 6145 1 15 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.068 0.278 19617 6146 1 15 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.887 -0.397 19617 6147 1 15 . 1 1 34 34 ASN H H 34 8.370 8.370 7.780 0.590 19617 6148 1 15 . 1 1 35 35 SER N N 35 115.544 115.544 115.840 -0.296 19617 6149 1 15 . 1 1 35 35 SER HA H 35 4.410 4.410 4.028 0.382 19617 6150 1 15 . 1 1 35 35 SER CA C 35 57.882 57.882 58.952 -1.070 19617 6151 1 15 . 1 1 35 35 SER CB C 35 63.770 63.770 63.373 0.397 19617 6152 1 15 . 1 1 35 35 SER H H 35 7.990 7.990 8.439 -0.449 19617 6153 1 15 . 1 1 36 36 ASN N N 36 116.055 116.055 123.827 -7.772 19617 6154 1 15 . 1 1 36 36 ASN CA C 36 50.674 50.674 51.910 -1.236 19617 6155 1 15 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.527 -0.728 19617 6156 1 15 . 1 1 36 36 ASN H H 36 8.518 8.518 7.750 0.768 19617 6157 1 15 . 1 1 37 37 SER N N 37 113.193 113.193 114.680 -1.487 19617 6158 1 15 . 1 1 37 37 SER HA H 37 4.719 4.719 4.490 0.229 19617 6159 1 15 . 1 1 37 37 SER CA C 37 56.801 56.801 58.104 -1.303 19617 6160 1 15 . 1 1 37 37 SER CB C 37 64.872 64.872 64.428 0.444 19617 6161 1 15 . 1 1 37 37 SER H H 37 8.667 8.667 8.528 0.139 19617 6162 1 15 . 1 1 38 38 ASP N N 38 123.964 123.964 120.843 3.121 19617 6163 1 15 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.613 0.369 19617 6164 1 15 . 1 1 38 38 ASP CA C 38 54.201 54.201 55.681 -1.480 19617 6165 1 15 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.848 -0.919 19617 6166 1 15 . 1 1 38 38 ASP H H 38 8.849 8.849 8.152 0.697 19617 6167 1 15 . 1 1 39 39 ILE N N 39 121.214 121.214 125.249 -4.035 19617 6168 1 15 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.166 0.710 19617 6169 1 15 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.797 -3.090 19617 6170 1 15 . 1 1 39 39 ILE CB C 39 37.086 37.086 39.215 -2.129 19617 6171 1 15 . 1 1 39 39 ILE H H 39 8.816 8.816 8.027 0.789 19617 6172 1 15 . 1 1 40 40 THR N N 40 122.861 122.861 118.438 4.423 19617 6173 1 15 . 1 1 40 40 THR HA H 40 4.289 4.289 4.080 0.209 19617 6174 1 15 . 1 1 40 40 THR CB C 40 68.527 68.527 68.998 -0.471 19617 6175 1 15 . 1 1 40 40 THR H H 40 8.679 8.679 8.272 0.407 19617 6176 1 15 . 1 1 41 41 ASP N N 41 114.076 114.076 117.961 -3.885 19617 6177 1 15 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.598 -0.901 19617 6178 1 15 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.627 -0.149 19617 6179 1 15 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.752 -2.034 19617 6180 1 15 . 1 1 41 41 ASP H H 41 8.539 8.539 8.276 0.263 19617 6181 1 15 . 1 1 42 42 GLN N N 42 117.086 117.086 118.908 -1.822 19617 6182 1 15 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.914 0.232 19617 6183 1 15 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.270 -0.734 19617 6184 1 15 . 1 1 42 42 GLN CB C 42 30.216 30.216 28.022 2.194 19617 6185 1 15 . 1 1 42 42 GLN H H 42 7.718 7.718 8.037 -0.319 19617 6186 1 15 . 1 1 43 43 VAL N N 43 109.916 109.916 121.236 -11.320 19617 6187 1 15 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.872 0.219 19617 6188 1 15 . 1 1 43 43 VAL CA C 43 58.840 58.840 64.110 -5.270 19617 6189 1 15 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.262 -0.989 19617 6190 1 15 . 1 1 43 43 VAL H H 43 6.902 6.902 8.092 -1.190 19617 6191 1 15 . 1 1 44 44 THR N N 44 116.270 116.270 120.360 -4.090 19617 6192 1 15 . 1 1 44 44 THR HA H 44 4.311 4.311 4.665 -0.354 19617 6193 1 15 . 1 1 44 44 THR CA C 44 61.651 61.651 61.129 0.522 19617 6194 1 15 . 1 1 44 44 THR CB C 44 68.890 68.890 68.555 0.335 19617 6195 1 15 . 1 1 44 44 THR H H 44 8.787 8.787 8.324 0.463 19617 6196 1 15 . 1 1 45 45 TRP N N 45 132.099 132.099 125.792 6.307 19617 6197 1 15 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.479 -0.233 19617 6198 1 15 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.767 0.620 19617 6199 1 15 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.792 -1.715 19617 6200 1 15 . 1 1 45 45 TRP H H 45 10.351 10.351 8.283 2.068 19617 6201 1 15 . 1 1 46 46 ASP N N 46 121.897 121.897 120.752 1.145 19617 6202 1 15 . 1 1 46 46 ASP HA H 46 4.859 4.859 4.563 0.296 19617 6203 1 15 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.698 -0.901 19617 6204 1 15 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.637 0.438 19617 6205 1 15 . 1 1 46 46 ASP H H 46 9.471 9.471 7.919 1.552 19617 6206 1 15 . 1 1 47 47 SER N N 47 113.805 113.805 114.395 -0.590 19617 6207 1 15 . 1 1 47 47 SER HA H 47 5.044 5.044 4.628 0.416 19617 6208 1 15 . 1 1 47 47 SER CA C 47 53.059 53.059 56.887 -3.828 19617 6209 1 15 . 1 1 47 47 SER CB C 47 64.880 64.880 65.213 -0.333 19617 6210 1 15 . 1 1 47 47 SER H H 47 8.502 8.502 8.113 0.389 19617 6211 1 15 . 1 1 48 48 SER N N 48 119.614 119.614 117.380 2.234 19617 6212 1 15 . 1 1 48 48 SER HA H 48 4.281 4.281 4.637 -0.356 19617 6213 1 15 . 1 1 48 48 SER CA C 48 59.404 59.404 56.780 2.624 19617 6214 1 15 . 1 1 48 48 SER CB C 48 62.026 62.026 64.238 -2.212 19617 6215 1 15 . 1 1 48 48 SER H H 48 8.518 8.518 8.287 0.231 19617 6216 1 15 . 1 1 49 49 ASN N N 49 118.260 118.260 124.001 -5.741 19617 6217 1 15 . 1 1 49 49 ASN HA H 49 4.895 4.895 5.045 -0.150 19617 6218 1 15 . 1 1 49 49 ASN CA C 49 52.841 52.841 52.365 0.476 19617 6219 1 15 . 1 1 49 49 ASN CB C 49 37.720 37.720 42.261 -4.541 19617 6220 1 15 . 1 1 49 49 ASN H H 49 7.816 7.816 8.672 -0.856 19617 6221 1 15 . 1 1 50 50 THR N N 50 119.289 119.289 112.330 6.959 19617 6222 1 15 . 1 1 50 50 THR HA H 50 4.567 4.567 4.469 0.098 19617 6223 1 15 . 1 1 50 50 THR CA C 50 62.137 62.137 63.060 -0.923 19617 6224 1 15 . 1 1 50 50 THR CB C 50 67.100 67.100 69.028 -1.928 19617 6225 1 15 . 1 1 50 50 THR H H 50 9.048 9.048 8.306 0.742 19617 6226 1 15 . 1 1 51 51 ASP N N 51 118.825 118.825 119.852 -1.027 19617 6227 1 15 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.612 -0.035 19617 6228 1 15 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.764 -0.074 19617 6229 1 15 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.008 -2.350 19617 6230 1 15 . 1 1 51 51 ASP H H 51 8.251 8.251 8.082 0.169 19617 6231 1 15 . 1 1 52 52 ILE N N 52 118.410 118.410 121.606 -3.196 19617 6232 1 15 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.424 -0.498 19617 6233 1 15 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.002 1.679 19617 6234 1 15 . 1 1 52 52 ILE CB C 52 38.896 38.896 41.180 -2.284 19617 6235 1 15 . 1 1 52 52 ILE H H 52 7.169 7.169 7.904 -0.735 19617 6236 1 15 . 1 1 53 53 LEU N N 53 120.129 120.129 123.267 -3.138 19617 6237 1 15 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.713 0.309 19617 6238 1 15 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.525 -1.244 19617 6239 1 15 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.985 1.420 19617 6240 1 15 . 1 1 53 53 LEU H H 53 7.876 7.876 8.246 -0.370 19617 6241 1 15 . 1 1 54 54 SER N N 54 122.249 122.249 118.595 3.654 19617 6242 1 15 . 1 1 54 54 SER HA H 54 4.954 4.954 4.797 0.157 19617 6243 1 15 . 1 1 54 54 SER CA C 54 54.724 54.724 56.771 -2.047 19617 6244 1 15 . 1 1 54 54 SER CB C 54 64.417 64.417 65.122 -0.705 19617 6245 1 15 . 1 1 54 54 SER H H 54 8.650 8.650 8.768 -0.118 19617 6246 1 15 . 1 1 55 55 ILE N N 55 123.973 123.973 121.034 2.939 19617 6247 1 15 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.655 0.247 19617 6248 1 15 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.728 -0.860 19617 6249 1 15 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.726 1.692 19617 6250 1 15 . 1 1 55 55 ILE H H 55 9.081 9.081 8.268 0.813 19617 6251 1 15 . 1 1 56 56 SER N N 56 119.541 119.541 122.097 -2.556 19617 6252 1 15 . 1 1 56 56 SER HA H 56 4.384 4.384 4.840 -0.456 19617 6253 1 15 . 1 1 56 56 SER CA C 56 56.626 56.626 56.858 -0.232 19617 6254 1 15 . 1 1 56 56 SER CB C 56 63.106 63.106 65.309 -2.203 19617 6255 1 15 . 1 1 56 56 SER H H 56 7.905 7.905 8.950 -1.045 19617 6256 1 15 . 1 1 57 57 ASN N N 57 124.208 124.208 125.163 -0.955 19617 6257 1 15 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.608 0.408 19617 6258 1 15 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.831 -0.361 19617 6259 1 15 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.401 1.689 19617 6260 1 15 . 1 1 57 57 ASN H H 57 8.945 8.945 8.931 0.014 19617 6261 1 15 . 1 1 58 58 ALA N N 58 124.301 124.301 126.345 -2.044 19617 6262 1 15 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.138 -0.004 19617 6263 1 15 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.382 -1.095 19617 6264 1 15 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.055 -0.701 19617 6265 1 15 . 1 1 58 58 ALA H H 58 8.150 8.150 7.966 0.184 19617 6266 1 15 . 1 1 59 59 SER N N 59 113.293 113.293 118.492 -5.199 19617 6267 1 15 . 1 1 59 59 SER HA H 59 4.706 4.706 4.069 0.637 19617 6268 1 15 . 1 1 59 59 SER CA C 59 60.003 60.003 60.006 -0.003 19617 6269 1 15 . 1 1 59 59 SER CB C 59 62.574 62.574 63.304 -0.730 19617 6270 1 15 . 1 1 59 59 SER H H 59 8.377 8.377 8.481 -0.104 19617 6271 1 15 . 1 1 60 60 ASP N N 60 116.272 116.272 121.084 -4.812 19617 6272 1 15 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.352 0.319 19617 6273 1 15 . 1 1 60 60 ASP CA C 60 52.759 52.759 56.532 -3.773 19617 6274 1 15 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.958 -1.246 19617 6275 1 15 . 1 1 60 60 ASP H H 60 8.310 8.310 8.192 0.118 19617 6276 1 15 . 1 1 61 61 SER N N 61 112.651 112.651 107.880 4.771 19617 6277 1 15 . 1 1 61 61 SER HA H 61 4.630 4.630 4.644 -0.014 19617 6278 1 15 . 1 1 61 61 SER CA C 61 56.180 56.180 58.758 -2.578 19617 6279 1 15 . 1 1 61 61 SER CB C 61 61.843 61.843 63.823 -1.980 19617 6280 1 15 . 1 1 61 61 SER H H 61 7.588 7.588 7.601 -0.013 19617 6281 1 15 . 1 1 62 62 HIS N N 62 119.790 119.790 120.581 -0.791 19617 6282 1 15 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.963 -0.917 19617 6283 1 15 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.852 2.067 19617 6284 1 15 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.901 -2.377 19617 6285 1 15 . 1 1 62 62 HIS H H 62 8.030 8.030 7.515 0.515 19617 6286 1 15 . 1 1 63 63 GLY N N 63 113.297 113.297 109.261 4.036 19617 6287 1 15 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.229 -0.576 19617 6288 1 15 . 1 1 63 63 GLY H H 63 8.733 8.733 8.573 0.160 19617 6289 1 15 . 1 1 64 64 LEU N N 64 120.663 120.663 119.183 1.480 19617 6290 1 15 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.543 -1.157 19617 6291 1 15 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.669 1.224 19617 6292 1 15 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.969 -3.506 19617 6293 1 15 . 1 1 64 64 LEU H H 64 7.680 7.680 7.820 -0.140 19617 6294 1 15 . 1 1 65 65 ALA N N 65 108.347 108.347 125.628 -17.281 19617 6295 1 15 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.669 0.733 19617 6296 1 15 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.709 -1.442 19617 6297 1 15 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.360 0.195 19617 6298 1 15 . 1 1 65 65 ALA H H 65 9.874 9.874 9.088 0.786 19617 6299 1 15 . 1 1 66 66 SER N N 66 115.950 115.950 119.934 -3.984 19617 6300 1 15 . 1 1 66 66 SER HA H 66 4.906 4.906 5.602 -0.696 19617 6301 1 15 . 1 1 66 66 SER CA C 66 56.645 56.645 56.471 0.173 19617 6302 1 15 . 1 1 66 66 SER CB C 66 63.823 63.823 65.518 -1.695 19617 6303 1 15 . 1 1 66 66 SER H H 66 8.938 8.938 8.678 0.260 19617 6304 1 15 . 1 1 67 67 THR N N 67 113.595 113.595 118.523 -4.928 19617 6305 1 15 . 1 1 67 67 THR HA H 67 4.649 4.649 4.640 0.009 19617 6306 1 15 . 1 1 67 67 THR CA C 67 59.216 59.216 61.205 -1.988 19617 6307 1 15 . 1 1 67 67 THR CB C 67 69.006 69.006 71.608 -2.602 19617 6308 1 15 . 1 1 67 67 THR H H 67 8.257 8.257 8.166 0.091 19617 6309 1 15 . 1 1 68 68 LEU N N 68 124.152 124.152 125.891 -1.739 19617 6310 1 15 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.690 -0.328 19617 6311 1 15 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.243 -0.131 19617 6312 1 15 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.987 -0.072 19617 6313 1 15 . 1 1 68 68 LEU H H 68 8.616 8.616 8.425 0.191 19617 6314 1 15 . 1 1 69 69 ASN N N 69 115.820 115.820 121.165 -5.345 19617 6315 1 15 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.850 -0.190 19617 6316 1 15 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.943 -0.487 19617 6317 1 15 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.805 1.501 19617 6318 1 15 . 1 1 69 69 ASN H H 69 7.965 7.965 8.091 -0.126 19617 6319 1 15 . 1 1 70 70 GLN N N 70 114.562 114.562 118.196 -3.634 19617 6320 1 15 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.518 -0.592 19617 6321 1 15 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.248 -0.011 19617 6322 1 15 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.370 0.636 19617 6323 1 15 . 1 1 70 70 GLN H H 70 8.287 8.287 8.557 -0.270 19617 6324 1 15 . 1 1 71 71 GLY N N 71 108.005 108.005 113.667 -5.662 19617 6325 1 15 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.771 -2.085 19617 6326 1 15 . 1 1 71 71 GLY H H 71 8.520 8.520 8.714 -0.194 19617 6327 1 15 . 1 1 72 72 ASN N N 72 117.787 117.787 119.530 -1.743 19617 6328 1 15 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.969 0.504 19617 6329 1 15 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.156 -0.465 19617 6330 1 15 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.059 -1.163 19617 6331 1 15 . 1 1 72 72 ASN H H 72 8.420 8.420 8.436 -0.016 19617 6332 1 15 . 1 1 73 73 VAL N N 73 115.846 115.846 120.314 -4.468 19617 6333 1 15 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.844 -0.317 19617 6334 1 15 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.919 -0.944 19617 6335 1 15 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.410 -0.231 19617 6336 1 15 . 1 1 73 73 VAL H H 73 8.990 8.990 9.075 -0.085 19617 6337 1 15 . 1 1 74 74 LYS N N 74 123.195 123.195 127.605 -4.410 19617 6338 1 15 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.739 0.415 19617 6339 1 15 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.486 -0.605 19617 6340 1 15 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.962 -0.365 19617 6341 1 15 . 1 1 74 74 LYS H H 74 8.715 8.715 8.252 0.463 19617 6342 1 15 . 1 1 75 75 VAL N N 75 129.521 129.521 127.305 2.216 19617 6343 1 15 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.941 -0.398 19617 6344 1 15 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.740 0.076 19617 6345 1 15 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.288 -0.805 19617 6346 1 15 . 1 1 75 75 VAL H H 75 8.975 8.975 8.117 0.858 19617 6347 1 15 . 1 1 76 76 THR N N 76 120.544 120.544 119.620 0.924 19617 6348 1 15 . 1 1 76 76 THR HA H 76 5.067 5.067 4.985 0.082 19617 6349 1 15 . 1 1 76 76 THR CA C 76 59.783 59.783 60.610 -0.827 19617 6350 1 15 . 1 1 76 76 THR CB C 76 70.733 70.733 71.671 -0.938 19617 6351 1 15 . 1 1 76 76 THR H H 76 8.650 8.650 8.084 0.566 19617 6352 1 15 . 1 1 77 77 ALA N N 77 126.453 126.453 125.884 0.569 19617 6353 1 15 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.392 -1.012 19617 6354 1 15 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.539 -3.109 19617 6355 1 15 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.954 -2.410 19617 6356 1 15 . 1 1 77 77 ALA H H 77 8.674 8.674 8.278 0.396 19617 6357 1 15 . 1 1 78 78 SER N N 78 113.566 113.566 116.856 -3.290 19617 6358 1 15 . 1 1 78 78 SER HA H 78 5.377 5.377 5.288 0.089 19617 6359 1 15 . 1 1 78 78 SER CA C 78 56.077 56.077 57.805 -1.728 19617 6360 1 15 . 1 1 78 78 SER CB C 78 65.730 65.730 66.222 -0.492 19617 6361 1 15 . 1 1 78 78 SER H H 78 8.116 8.116 8.348 -0.232 19617 6362 1 15 . 1 1 79 79 ILE N N 79 121.070 121.070 123.843 -2.773 19617 6363 1 15 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.500 -0.352 19617 6364 1 15 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.920 1.204 19617 6365 1 15 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.634 -1.825 19617 6366 1 15 . 1 1 79 79 ILE H H 79 8.446 8.446 8.721 -0.275 19617 6367 1 15 . 1 1 80 80 GLY N N 80 117.155 117.155 117.687 -0.532 19617 6368 1 15 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.336 -0.330 19617 6369 1 15 . 1 1 80 80 GLY H H 80 8.899 8.899 8.789 0.110 19617 6370 1 15 . 1 1 81 81 GLY N N 81 110.715 110.715 109.779 0.936 19617 6371 1 15 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.625 -0.247 19617 6372 1 15 . 1 1 81 81 GLY H H 81 8.742 8.742 8.656 0.086 19617 6373 1 15 . 1 1 82 82 ILE N N 82 124.113 124.113 119.833 4.280 19617 6374 1 15 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.407 -0.205 19617 6375 1 15 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.769 -1.736 19617 6376 1 15 . 1 1 82 82 ILE CB C 82 36.777 36.777 40.629 -3.852 19617 6377 1 15 . 1 1 82 82 ILE H H 82 8.188 8.188 7.503 0.685 19617 6378 1 15 . 1 1 83 83 GLN N N 83 122.453 122.453 122.780 -0.327 19617 6379 1 15 . 1 1 83 83 GLN HA H 83 5.396 5.396 5.120 0.276 19617 6380 1 15 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.666 -1.646 19617 6381 1 15 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.672 -0.157 19617 6382 1 15 . 1 1 83 83 GLN H H 83 8.423 8.423 8.423 0.000 19617 6383 1 15 . 1 1 84 84 GLY N N 84 111.436 111.436 107.751 3.685 19617 6384 1 15 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.979 -0.281 19617 6385 1 15 . 1 1 84 84 GLY H H 84 8.931 8.931 8.798 0.133 19617 6386 1 15 . 1 1 85 85 SER N N 85 113.877 113.877 114.786 -0.909 19617 6387 1 15 . 1 1 85 85 SER HA H 85 5.843 5.843 5.017 0.826 19617 6388 1 15 . 1 1 85 85 SER CA C 85 56.264 56.264 57.294 -1.030 19617 6389 1 15 . 1 1 85 85 SER CB C 85 66.946 66.946 66.030 0.916 19617 6390 1 15 . 1 1 85 85 SER H H 85 8.710 8.710 8.270 0.440 19617 6391 1 15 . 1 1 86 86 THR N N 86 115.389 115.389 115.970 -0.581 19617 6392 1 15 . 1 1 86 86 THR HA H 86 4.772 4.772 4.525 0.247 19617 6393 1 15 . 1 1 86 86 THR CA C 86 60.313 60.313 61.028 -0.715 19617 6394 1 15 . 1 1 86 86 THR CB C 86 69.852 69.852 70.889 -1.037 19617 6395 1 15 . 1 1 86 86 THR H H 86 8.854 8.854 8.504 0.350 19617 6396 1 15 . 1 1 87 87 ASP N N 87 124.622 124.622 124.019 0.603 19617 6397 1 15 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.864 0.574 19617 6398 1 15 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.227 0.569 19617 6399 1 15 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.941 -0.931 19617 6400 1 15 . 1 1 87 87 ASP H H 87 7.953 7.953 8.228 -0.275 19617 6401 1 15 . 1 1 88 88 PHE N N 88 123.577 123.577 123.699 -0.122 19617 6402 1 15 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.679 -0.746 19617 6403 1 15 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.887 1.081 19617 6404 1 15 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.666 -0.782 19617 6405 1 15 . 1 1 88 88 PHE H H 88 9.094 9.094 8.648 0.446 19617 6406 1 15 . 1 1 89 89 LYS N N 89 126.966 126.966 123.990 2.976 19617 6407 1 15 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.804 0.233 19617 6408 1 15 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.641 -1.752 19617 6409 1 15 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.656 -0.987 19617 6410 1 15 . 1 1 89 89 LYS H H 89 7.269 7.269 8.631 -1.362 19617 6411 1 15 . 1 1 90 90 VAL N N 90 126.146 126.146 128.136 -1.990 19617 6412 1 15 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.316 -0.308 19617 6413 1 15 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.108 0.439 19617 6414 1 15 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.791 -3.843 19617 6415 1 15 . 1 1 90 90 VAL H H 90 9.086 9.086 8.232 0.854 19617 6416 1 15 . 1 1 91 91 THR N N 91 120.506 120.506 122.215 -1.709 19617 6417 1 15 . 1 1 91 91 THR HA H 91 4.568 4.568 4.487 0.081 19617 6418 1 15 . 1 1 91 91 THR CA C 91 59.348 59.348 61.661 -2.313 19617 6419 1 15 . 1 1 91 91 THR CB C 91 68.970 68.970 69.860 -0.890 19617 6420 1 15 . 1 1 91 91 THR H H 91 8.757 8.757 8.157 0.600 19617 6421 1 16 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.562 -0.291 19617 6422 1 16 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.821 -1.600 19617 6423 1 16 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.558 -1.142 19617 6424 1 16 . 1 1 3 3 ALA N N 3 123.801 123.801 123.205 0.596 19617 6425 1 16 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.505 -0.299 19617 6426 1 16 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.017 -0.622 19617 6427 1 16 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.976 -1.136 19617 6428 1 16 . 1 1 3 3 ALA H H 3 8.647 8.647 8.503 0.144 19617 6429 1 16 . 1 1 4 4 ALA N N 4 124.058 124.058 126.193 -2.135 19617 6430 1 16 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.321 0.358 19617 6431 1 16 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.916 -1.894 19617 6432 1 16 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.227 0.670 19617 6433 1 16 . 1 1 4 4 ALA H H 4 8.239 8.239 8.051 0.188 19617 6434 1 16 . 1 1 5 5 LEU N N 5 124.019 124.019 120.925 3.094 19617 6435 1 16 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.874 -0.502 19617 6436 1 16 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.618 -0.610 19617 6437 1 16 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.615 -0.373 19617 6438 1 16 . 1 1 5 5 LEU H H 5 8.560 8.560 7.875 0.685 19617 6439 1 16 . 1 1 6 6 VAL N N 6 123.358 123.358 123.082 0.276 19617 6440 1 16 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.343 -0.242 19617 6441 1 16 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.580 -0.240 19617 6442 1 16 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.726 -0.778 19617 6443 1 16 . 1 1 6 6 VAL H H 6 9.119 9.119 9.039 0.080 19617 6444 1 16 . 1 1 7 7 SER N N 7 112.139 112.139 112.720 -0.581 19617 6445 1 16 . 1 1 7 7 SER HA H 7 4.445 4.445 4.746 -0.301 19617 6446 1 16 . 1 1 7 7 SER CA C 7 56.349 56.349 58.602 -2.253 19617 6447 1 16 . 1 1 7 7 SER CB C 7 64.361 64.361 65.981 -1.620 19617 6448 1 16 . 1 1 7 7 SER H H 7 7.680 7.680 7.660 0.020 19617 6449 1 16 . 1 1 8 8 ILE N N 8 118.677 118.677 121.463 -2.786 19617 6450 1 16 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.798 -0.117 19617 6451 1 16 . 1 1 8 8 ILE CA C 8 59.146 59.146 58.667 0.479 19617 6452 1 16 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.565 0.109 19617 6453 1 16 . 1 1 8 8 ILE H H 8 8.354 8.354 8.544 -0.190 19617 6454 1 16 . 1 1 9 9 SER N N 9 121.319 121.319 119.539 1.780 19617 6455 1 16 . 1 1 9 9 SER HA H 9 4.859 4.859 4.830 0.029 19617 6456 1 16 . 1 1 9 9 SER CA C 9 55.381 55.381 56.717 -1.336 19617 6457 1 16 . 1 1 9 9 SER CB C 9 64.243 64.243 63.658 0.585 19617 6458 1 16 . 1 1 9 9 SER H H 9 9.028 9.028 8.683 0.345 19617 6459 1 16 . 1 1 10 10 VAL N N 10 127.508 127.508 122.905 4.603 19617 6460 1 16 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.980 0.071 19617 6461 1 16 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.564 0.348 19617 6462 1 16 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.803 -0.416 19617 6463 1 16 . 1 1 10 10 VAL H H 10 8.911 8.911 8.297 0.614 19617 6464 1 16 . 1 1 11 11 SER N N 11 121.861 121.861 121.663 0.198 19617 6465 1 16 . 1 1 11 11 SER CB C 11 64.373 64.373 63.708 0.665 19617 6466 1 16 . 1 1 11 11 SER H H 11 9.205 9.205 8.432 0.773 19617 6467 1 16 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.365 0.345 19617 6468 1 16 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.662 -1.763 19617 6469 1 16 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.229 1.860 19617 6470 1 16 . 1 1 13 13 THR N N 13 116.138 116.138 119.759 -3.621 19617 6471 1 16 . 1 1 13 13 THR HA H 13 4.766 4.766 4.499 0.267 19617 6472 1 16 . 1 1 13 13 THR CA C 13 60.153 60.153 61.235 -1.082 19617 6473 1 16 . 1 1 13 13 THR CB C 13 69.426 69.426 70.815 -1.389 19617 6474 1 16 . 1 1 13 13 THR H H 13 8.679 8.679 8.381 0.298 19617 6475 1 16 . 1 1 14 14 ASN N N 14 124.457 124.457 124.944 -0.487 19617 6476 1 16 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.984 -0.287 19617 6477 1 16 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.571 0.557 19617 6478 1 16 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.005 -1.412 19617 6479 1 16 . 1 1 14 14 ASN H H 14 8.710 8.710 8.835 -0.125 19617 6480 1 16 . 1 1 15 15 SER N N 15 113.672 113.672 117.493 -3.821 19617 6481 1 16 . 1 1 15 15 SER HA H 15 4.651 4.651 4.804 -0.153 19617 6482 1 16 . 1 1 15 15 SER CA C 15 55.644 55.644 56.657 -1.013 19617 6483 1 16 . 1 1 15 15 SER CB C 15 63.953 63.953 65.245 -1.292 19617 6484 1 16 . 1 1 15 15 SER H H 15 9.127 9.127 8.023 1.104 19617 6485 1 16 . 1 1 16 16 THR N N 16 113.578 113.578 114.257 -0.679 19617 6486 1 16 . 1 1 16 16 THR HA H 16 4.975 4.975 4.863 0.112 19617 6487 1 16 . 1 1 16 16 THR CA C 16 58.445 58.445 60.959 -2.514 19617 6488 1 16 . 1 1 16 16 THR CB C 16 70.534 70.534 70.127 0.407 19617 6489 1 16 . 1 1 16 16 THR H H 16 7.962 7.962 8.289 -0.327 19617 6490 1 16 . 1 1 17 17 VAL N N 17 121.480 121.480 121.775 -0.295 19617 6491 1 16 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.498 -0.176 19617 6492 1 16 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.976 -0.039 19617 6493 1 16 . 1 1 17 17 VAL CB C 17 35.404 35.404 34.634 0.770 19617 6494 1 16 . 1 1 17 17 VAL H H 17 7.969 7.969 8.118 -0.149 19617 6495 1 16 . 1 1 18 18 ALA N N 18 126.013 126.013 128.860 -2.847 19617 6496 1 16 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.351 -0.176 19617 6497 1 16 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.134 -1.171 19617 6498 1 16 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.580 -0.658 19617 6499 1 16 . 1 1 18 18 ALA H H 18 7.756 7.756 8.629 -0.873 19617 6500 1 16 . 1 1 19 19 LYS N N 19 119.740 119.740 122.297 -2.557 19617 6501 1 16 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.994 -0.505 19617 6502 1 16 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.442 1.330 19617 6503 1 16 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.397 -0.795 19617 6504 1 16 . 1 1 19 19 LYS H H 19 7.892 7.892 8.236 -0.344 19617 6505 1 16 . 1 1 20 20 GLY N N 20 116.706 116.706 111.879 4.827 19617 6506 1 16 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.450 -1.687 19617 6507 1 16 . 1 1 20 20 GLY H H 20 8.615 8.615 8.728 -0.113 19617 6508 1 16 . 1 1 21 21 LEU N N 21 123.004 123.004 123.270 -0.266 19617 6509 1 16 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.470 0.120 19617 6510 1 16 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.343 -0.978 19617 6511 1 16 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.108 -4.146 19617 6512 1 16 . 1 1 21 21 LEU H H 21 8.013 8.013 7.655 0.358 19617 6513 1 16 . 1 1 22 22 GLN N N 22 117.502 117.502 116.481 1.021 19617 6514 1 16 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.108 0.018 19617 6515 1 16 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.827 -1.158 19617 6516 1 16 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.548 -0.634 19617 6517 1 16 . 1 1 22 22 GLN H H 22 8.223 8.223 8.282 -0.059 19617 6518 1 16 . 1 1 23 23 GLU N N 23 118.123 118.123 123.580 -5.457 19617 6519 1 16 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.514 0.048 19617 6520 1 16 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.743 -1.876 19617 6521 1 16 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.459 0.415 19617 6522 1 16 . 1 1 23 23 GLU H H 23 8.188 8.188 8.600 -0.412 19617 6523 1 16 . 1 1 24 24 ASN N N 24 125.843 125.843 122.284 3.559 19617 6524 1 16 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.919 -0.142 19617 6525 1 16 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.139 -0.628 19617 6526 1 16 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.132 0.614 19617 6527 1 16 . 1 1 24 24 ASN H H 24 9.391 9.391 8.515 0.876 19617 6528 1 16 . 1 1 25 25 PHE N N 25 122.822 122.822 121.703 1.119 19617 6529 1 16 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.565 0.085 19617 6530 1 16 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.585 0.538 19617 6531 1 16 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.993 -2.934 19617 6532 1 16 . 1 1 25 25 PHE H H 25 8.059 8.059 8.359 -0.300 19617 6533 1 16 . 1 1 26 26 LYS N N 26 119.114 119.114 119.359 -0.245 19617 6534 1 16 . 1 1 26 26 LYS HA H 26 5.244 5.244 3.717 1.527 19617 6535 1 16 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.401 -2.425 19617 6536 1 16 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.217 -0.556 19617 6537 1 16 . 1 1 26 26 LYS H H 26 9.255 9.255 8.602 0.653 19617 6538 1 16 . 1 1 27 27 ALA N N 27 125.586 125.586 128.432 -2.846 19617 6539 1 16 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.388 -0.125 19617 6540 1 16 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.094 -2.277 19617 6541 1 16 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.681 -0.521 19617 6542 1 16 . 1 1 27 27 ALA H H 27 9.119 9.119 8.425 0.694 19617 6543 1 16 . 1 1 28 28 THR N N 28 120.628 120.628 118.258 2.370 19617 6544 1 16 . 1 1 28 28 THR HA H 28 4.843 4.843 4.635 0.208 19617 6545 1 16 . 1 1 28 28 THR CA C 28 60.566 60.566 60.932 -0.366 19617 6546 1 16 . 1 1 28 28 THR CB C 28 69.478 69.478 69.958 -0.480 19617 6547 1 16 . 1 1 28 28 THR H H 28 9.061 9.061 8.596 0.465 19617 6548 1 16 . 1 1 29 29 GLY N N 29 115.787 115.787 112.631 3.156 19617 6549 1 16 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.398 0.918 19617 6550 1 16 . 1 1 29 29 GLY H H 29 9.663 9.663 8.658 1.005 19617 6551 1 16 . 1 1 30 30 ILE N N 30 123.084 123.084 119.444 3.640 19617 6552 1 16 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.969 -0.188 19617 6553 1 16 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.019 0.369 19617 6554 1 16 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.398 -2.515 19617 6555 1 16 . 1 1 30 30 ILE H H 30 7.914 7.914 7.740 0.174 19617 6556 1 16 . 1 1 31 31 PHE N N 31 125.209 125.209 124.083 1.126 19617 6557 1 16 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.071 0.299 19617 6558 1 16 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.254 0.233 19617 6559 1 16 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.989 -0.836 19617 6560 1 16 . 1 1 31 31 PHE H H 31 8.316 8.316 7.885 0.431 19617 6561 1 16 . 1 1 32 32 THR N N 32 113.843 113.843 117.677 -3.834 19617 6562 1 16 . 1 1 32 32 THR HA H 32 4.409 4.409 4.083 0.326 19617 6563 1 16 . 1 1 32 32 THR CA C 32 64.157 64.157 65.636 -1.479 19617 6564 1 16 . 1 1 32 32 THR CB C 32 68.540 68.540 69.009 -0.469 19617 6565 1 16 . 1 1 32 32 THR H H 32 9.335 9.335 8.518 0.817 19617 6566 1 16 . 1 1 33 33 ASP N N 33 118.799 118.799 119.386 -0.587 19617 6567 1 16 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.699 -0.077 19617 6568 1 16 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.807 -1.844 19617 6569 1 16 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.479 -2.985 19617 6570 1 16 . 1 1 33 33 ASP H H 33 7.689 7.689 7.864 -0.175 19617 6571 1 16 . 1 1 34 34 ASN N N 34 112.999 112.999 116.149 -3.150 19617 6572 1 16 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.851 -0.501 19617 6573 1 16 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.504 0.842 19617 6574 1 16 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.097 -3.607 19617 6575 1 16 . 1 1 34 34 ASN H H 34 8.370 8.370 7.597 0.773 19617 6576 1 16 . 1 1 35 35 SER N N 35 115.544 115.544 120.049 -4.505 19617 6577 1 16 . 1 1 35 35 SER HA H 35 4.410 4.410 4.118 0.292 19617 6578 1 16 . 1 1 35 35 SER CA C 35 57.882 57.882 61.015 -3.133 19617 6579 1 16 . 1 1 35 35 SER CB C 35 63.770 63.770 63.474 0.296 19617 6580 1 16 . 1 1 35 35 SER H H 35 7.990 7.990 8.612 -0.622 19617 6581 1 16 . 1 1 36 36 ASN N N 36 116.055 116.055 117.625 -1.570 19617 6582 1 16 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.024 -1.350 19617 6583 1 16 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.724 1.075 19617 6584 1 16 . 1 1 36 36 ASN H H 36 8.518 8.518 8.108 0.410 19617 6585 1 16 . 1 1 37 37 SER N N 37 113.193 113.193 115.482 -2.289 19617 6586 1 16 . 1 1 37 37 SER HA H 37 4.719 4.719 4.787 -0.068 19617 6587 1 16 . 1 1 37 37 SER CA C 37 56.801 56.801 57.186 -0.385 19617 6588 1 16 . 1 1 37 37 SER CB C 37 64.872 64.872 66.712 -1.840 19617 6589 1 16 . 1 1 37 37 SER H H 37 8.667 8.667 8.275 0.392 19617 6590 1 16 . 1 1 38 38 ASP N N 38 123.964 123.964 124.262 -0.298 19617 6591 1 16 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.797 0.185 19617 6592 1 16 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.788 0.413 19617 6593 1 16 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.123 -0.194 19617 6594 1 16 . 1 1 38 38 ASP H H 38 8.849 8.849 8.704 0.145 19617 6595 1 16 . 1 1 39 39 ILE N N 39 121.214 121.214 120.999 0.215 19617 6596 1 16 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.827 1.049 19617 6597 1 16 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.364 -1.657 19617 6598 1 16 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.243 1.843 19617 6599 1 16 . 1 1 39 39 ILE H H 39 8.816 8.816 8.609 0.207 19617 6600 1 16 . 1 1 40 40 THR N N 40 122.861 122.861 113.143 9.718 19617 6601 1 16 . 1 1 40 40 THR HA H 40 4.289 4.289 4.100 0.189 19617 6602 1 16 . 1 1 40 40 THR CB C 40 68.527 68.527 69.040 -0.513 19617 6603 1 16 . 1 1 40 40 THR H H 40 8.679 8.679 8.463 0.215 19617 6604 1 16 . 1 1 41 41 ASP N N 41 114.076 114.076 119.670 -5.594 19617 6605 1 16 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.597 -0.900 19617 6606 1 16 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.175 -0.697 19617 6607 1 16 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.272 -1.554 19617 6608 1 16 . 1 1 41 41 ASP H H 41 8.539 8.539 8.398 0.141 19617 6609 1 16 . 1 1 42 42 GLN N N 42 117.086 117.086 115.180 1.906 19617 6610 1 16 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.957 0.189 19617 6611 1 16 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.826 -0.290 19617 6612 1 16 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.493 3.723 19617 6613 1 16 . 1 1 42 42 GLN H H 42 7.718 7.718 7.442 0.276 19617 6614 1 16 . 1 1 43 43 VAL N N 43 109.916 109.916 117.963 -8.047 19617 6615 1 16 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.839 0.252 19617 6616 1 16 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.507 -4.667 19617 6617 1 16 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.260 -0.987 19617 6618 1 16 . 1 1 43 43 VAL H H 43 6.902 6.902 8.056 -1.154 19617 6619 1 16 . 1 1 44 44 THR N N 44 116.270 116.270 123.540 -7.270 19617 6620 1 16 . 1 1 44 44 THR HA H 44 4.311 4.311 4.533 -0.222 19617 6621 1 16 . 1 1 44 44 THR CA C 44 61.651 61.651 62.829 -1.178 19617 6622 1 16 . 1 1 44 44 THR CB C 44 68.890 68.890 69.098 -0.208 19617 6623 1 16 . 1 1 44 44 THR H H 44 8.787 8.787 8.369 0.418 19617 6624 1 16 . 1 1 45 45 TRP N N 45 132.099 132.099 128.147 3.952 19617 6625 1 16 . 1 1 45 45 TRP HA H 45 5.246 5.246 4.885 0.361 19617 6626 1 16 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.625 -1.238 19617 6627 1 16 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.662 -1.585 19617 6628 1 16 . 1 1 45 45 TRP H H 45 10.351 10.351 8.743 1.608 19617 6629 1 16 . 1 1 46 46 ASP N N 46 121.897 121.897 123.778 -1.881 19617 6630 1 16 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.119 -0.260 19617 6631 1 16 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.792 -0.995 19617 6632 1 16 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.982 -0.907 19617 6633 1 16 . 1 1 46 46 ASP H H 46 9.471 9.471 8.190 1.281 19617 6634 1 16 . 1 1 47 47 SER N N 47 113.805 113.805 117.239 -3.434 19617 6635 1 16 . 1 1 47 47 SER HA H 47 5.044 5.044 4.832 0.212 19617 6636 1 16 . 1 1 47 47 SER CA C 47 53.059 53.059 57.268 -4.209 19617 6637 1 16 . 1 1 47 47 SER CB C 47 64.880 64.880 64.640 0.240 19617 6638 1 16 . 1 1 47 47 SER H H 47 8.502 8.502 8.738 -0.236 19617 6639 1 16 . 1 1 48 48 SER N N 48 119.614 119.614 119.839 -0.225 19617 6640 1 16 . 1 1 48 48 SER HA H 48 4.281 4.281 4.657 -0.376 19617 6641 1 16 . 1 1 48 48 SER CA C 48 59.404 59.404 58.862 0.542 19617 6642 1 16 . 1 1 48 48 SER CB C 48 62.026 62.026 64.356 -2.330 19617 6643 1 16 . 1 1 48 48 SER H H 48 8.518 8.518 8.649 -0.131 19617 6644 1 16 . 1 1 49 49 ASN N N 49 118.260 118.260 123.073 -4.813 19617 6645 1 16 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.790 0.105 19617 6646 1 16 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.560 -1.719 19617 6647 1 16 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.772 -1.052 19617 6648 1 16 . 1 1 49 49 ASN H H 49 7.816 7.816 8.883 -1.067 19617 6649 1 16 . 1 1 50 50 THR N N 50 119.289 119.289 114.741 4.548 19617 6650 1 16 . 1 1 50 50 THR HA H 50 4.567 4.567 4.421 0.146 19617 6651 1 16 . 1 1 50 50 THR CA C 50 62.137 62.137 64.498 -2.361 19617 6652 1 16 . 1 1 50 50 THR CB C 50 67.100 67.100 69.696 -2.596 19617 6653 1 16 . 1 1 50 50 THR H H 50 9.048 9.048 7.889 1.159 19617 6654 1 16 . 1 1 51 51 ASP N N 51 118.825 118.825 119.410 -0.585 19617 6655 1 16 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.773 -0.196 19617 6656 1 16 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.992 -0.303 19617 6657 1 16 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.599 -2.941 19617 6658 1 16 . 1 1 51 51 ASP H H 51 8.251 8.251 8.566 -0.315 19617 6659 1 16 . 1 1 52 52 ILE N N 52 118.410 118.410 114.831 3.579 19617 6660 1 16 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.447 -0.521 19617 6661 1 16 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.855 0.826 19617 6662 1 16 . 1 1 52 52 ILE CB C 52 38.896 38.896 40.475 -1.579 19617 6663 1 16 . 1 1 52 52 ILE H H 52 7.169 7.169 7.862 -0.693 19617 6664 1 16 . 1 1 53 53 LEU N N 53 120.129 120.129 124.216 -4.087 19617 6665 1 16 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.717 0.305 19617 6666 1 16 . 1 1 53 53 LEU CA C 53 53.281 53.281 55.490 -2.209 19617 6667 1 16 . 1 1 53 53 LEU CB C 53 46.405 46.405 46.230 0.175 19617 6668 1 16 . 1 1 53 53 LEU H H 53 7.876 7.876 8.656 -0.780 19617 6669 1 16 . 1 1 54 54 SER N N 54 122.249 122.249 117.293 4.956 19617 6670 1 16 . 1 1 54 54 SER HA H 54 4.954 4.954 4.897 0.057 19617 6671 1 16 . 1 1 54 54 SER CA C 54 54.724 54.724 57.134 -2.410 19617 6672 1 16 . 1 1 54 54 SER CB C 54 64.417 64.417 65.818 -1.401 19617 6673 1 16 . 1 1 54 54 SER H H 54 8.650 8.650 8.618 0.032 19617 6674 1 16 . 1 1 55 55 ILE N N 55 123.973 123.973 124.609 -0.636 19617 6675 1 16 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.862 0.040 19617 6676 1 16 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.051 -0.183 19617 6677 1 16 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.309 2.109 19617 6678 1 16 . 1 1 55 55 ILE H H 55 9.081 9.081 8.622 0.459 19617 6679 1 16 . 1 1 56 56 SER N N 56 119.541 119.541 124.500 -4.959 19617 6680 1 16 . 1 1 56 56 SER HA H 56 4.384 4.384 4.653 -0.269 19617 6681 1 16 . 1 1 56 56 SER CA C 56 56.626 56.626 57.755 -1.129 19617 6682 1 16 . 1 1 56 56 SER CB C 56 63.106 63.106 65.025 -1.919 19617 6683 1 16 . 1 1 56 56 SER H H 56 7.905 7.905 9.015 -1.110 19617 6684 1 16 . 1 1 57 57 ASN N N 57 124.208 124.208 122.999 1.209 19617 6685 1 16 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.829 0.187 19617 6686 1 16 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.751 -1.282 19617 6687 1 16 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.269 0.821 19617 6688 1 16 . 1 1 57 57 ASN H H 57 8.945 8.945 8.745 0.200 19617 6689 1 16 . 1 1 58 58 ALA N N 58 124.301 124.301 125.807 -1.506 19617 6690 1 16 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.632 -0.498 19617 6691 1 16 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.404 -1.117 19617 6692 1 16 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.389 -1.035 19617 6693 1 16 . 1 1 58 58 ALA H H 58 8.150 8.150 8.203 -0.053 19617 6694 1 16 . 1 1 59 59 SER N N 59 113.293 113.293 115.538 -2.245 19617 6695 1 16 . 1 1 59 59 SER HA H 59 4.706 4.706 4.280 0.426 19617 6696 1 16 . 1 1 59 59 SER CA C 59 60.003 60.003 60.231 -0.228 19617 6697 1 16 . 1 1 59 59 SER CB C 59 62.574 62.574 63.333 -0.759 19617 6698 1 16 . 1 1 59 59 SER H H 59 8.377 8.377 8.323 0.054 19617 6699 1 16 . 1 1 60 60 ASP N N 60 116.272 116.272 115.924 0.348 19617 6700 1 16 . 1 1 60 60 ASP HA H 60 4.671 4.671 5.170 -0.499 19617 6701 1 16 . 1 1 60 60 ASP CA C 60 52.759 52.759 52.885 -0.126 19617 6702 1 16 . 1 1 60 60 ASP CB C 60 39.712 39.712 43.866 -4.154 19617 6703 1 16 . 1 1 60 60 ASP H H 60 8.310 8.310 7.482 0.828 19617 6704 1 16 . 1 1 61 61 SER N N 61 112.651 112.651 113.407 -0.756 19617 6705 1 16 . 1 1 61 61 SER HA H 61 4.630 4.630 4.424 0.206 19617 6706 1 16 . 1 1 61 61 SER CA C 61 56.180 56.180 59.329 -3.149 19617 6707 1 16 . 1 1 61 61 SER CB C 61 61.843 61.843 65.037 -3.194 19617 6708 1 16 . 1 1 61 61 SER H H 61 7.588 7.588 8.295 -0.707 19617 6709 1 16 . 1 1 62 62 HIS N N 62 119.790 119.790 123.237 -3.447 19617 6710 1 16 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.563 -0.517 19617 6711 1 16 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.546 1.373 19617 6712 1 16 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.962 -3.438 19617 6713 1 16 . 1 1 62 62 HIS H H 62 8.030 8.030 7.551 0.479 19617 6714 1 16 . 1 1 63 63 GLY N N 63 113.297 113.297 110.753 2.544 19617 6715 1 16 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.768 -1.115 19617 6716 1 16 . 1 1 63 63 GLY H H 63 8.733 8.733 8.612 0.121 19617 6717 1 16 . 1 1 64 64 LEU N N 64 120.663 120.663 120.249 0.414 19617 6718 1 16 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.818 -0.432 19617 6719 1 16 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.996 -0.103 19617 6720 1 16 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.193 -3.729 19617 6721 1 16 . 1 1 64 64 LEU H H 64 7.680 7.680 7.607 0.073 19617 6722 1 16 . 1 1 65 65 ALA N N 65 108.347 108.347 129.170 -20.823 19617 6723 1 16 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.731 0.671 19617 6724 1 16 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.974 -1.706 19617 6725 1 16 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.417 1.138 19617 6726 1 16 . 1 1 65 65 ALA H H 65 9.874 9.874 8.708 1.166 19617 6727 1 16 . 1 1 66 66 SER N N 66 115.950 115.950 119.939 -3.989 19617 6728 1 16 . 1 1 66 66 SER HA H 66 4.906 4.906 5.358 -0.452 19617 6729 1 16 . 1 1 66 66 SER CA C 66 56.645 56.645 56.392 0.253 19617 6730 1 16 . 1 1 66 66 SER CB C 66 63.823 63.823 65.179 -1.356 19617 6731 1 16 . 1 1 66 66 SER H H 66 8.938 8.938 8.743 0.195 19617 6732 1 16 . 1 1 67 67 THR N N 67 113.595 113.595 122.430 -8.835 19617 6733 1 16 . 1 1 67 67 THR HA H 67 4.649 4.649 4.623 0.026 19617 6734 1 16 . 1 1 67 67 THR CA C 67 59.216 59.216 60.426 -1.210 19617 6735 1 16 . 1 1 67 67 THR CB C 67 69.006 69.006 70.368 -1.362 19617 6736 1 16 . 1 1 67 67 THR H H 67 8.257 8.257 8.016 0.241 19617 6737 1 16 . 1 1 68 68 LEU N N 68 124.152 124.152 124.139 0.013 19617 6738 1 16 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.536 -0.174 19617 6739 1 16 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.401 0.711 19617 6740 1 16 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.638 -0.723 19617 6741 1 16 . 1 1 68 68 LEU H H 68 8.616 8.616 8.129 0.487 19617 6742 1 16 . 1 1 69 69 ASN N N 69 115.820 115.820 116.041 -0.221 19617 6743 1 16 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.917 -0.257 19617 6744 1 16 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.623 -1.167 19617 6745 1 16 . 1 1 69 69 ASN CB C 69 42.306 42.306 42.002 0.304 19617 6746 1 16 . 1 1 69 69 ASN H H 69 7.965 7.965 7.589 0.376 19617 6747 1 16 . 1 1 70 70 GLN N N 70 114.562 114.562 117.159 -2.597 19617 6748 1 16 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.316 -0.390 19617 6749 1 16 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.719 -0.482 19617 6750 1 16 . 1 1 70 70 GLN CB C 70 29.006 29.006 30.376 -1.370 19617 6751 1 16 . 1 1 70 70 GLN H H 70 8.287 8.287 8.322 -0.035 19617 6752 1 16 . 1 1 71 71 GLY N N 71 108.005 108.005 106.890 1.115 19617 6753 1 16 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.436 -0.750 19617 6754 1 16 . 1 1 71 71 GLY H H 71 8.520 8.520 7.934 0.586 19617 6755 1 16 . 1 1 72 72 ASN N N 72 117.787 117.787 119.589 -1.802 19617 6756 1 16 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.455 0.018 19617 6757 1 16 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.511 -0.820 19617 6758 1 16 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.596 -0.700 19617 6759 1 16 . 1 1 72 72 ASN H H 72 8.420 8.420 8.302 0.118 19617 6760 1 16 . 1 1 73 73 VAL N N 73 115.846 115.846 122.074 -6.228 19617 6761 1 16 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.416 0.111 19617 6762 1 16 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.534 -0.559 19617 6763 1 16 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.105 -0.926 19617 6764 1 16 . 1 1 73 73 VAL H H 73 8.990 8.990 9.288 -0.298 19617 6765 1 16 . 1 1 74 74 LYS N N 74 123.195 123.195 128.755 -5.560 19617 6766 1 16 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.746 0.408 19617 6767 1 16 . 1 1 74 74 LYS CA C 74 53.881 53.881 53.870 0.012 19617 6768 1 16 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.909 0.688 19617 6769 1 16 . 1 1 74 74 LYS H H 74 8.715 8.715 8.422 0.293 19617 6770 1 16 . 1 1 75 75 VAL N N 75 129.521 129.521 121.090 8.431 19617 6771 1 16 . 1 1 75 75 VAL HA H 75 4.543 4.543 5.063 -0.520 19617 6772 1 16 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.275 0.541 19617 6773 1 16 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.254 -0.771 19617 6774 1 16 . 1 1 75 75 VAL H H 75 8.975 8.975 8.025 0.950 19617 6775 1 16 . 1 1 76 76 THR N N 76 120.544 120.544 120.055 0.489 19617 6776 1 16 . 1 1 76 76 THR HA H 76 5.067 5.067 4.474 0.593 19617 6777 1 16 . 1 1 76 76 THR CA C 76 59.783 59.783 60.814 -1.031 19617 6778 1 16 . 1 1 76 76 THR CB C 76 70.733 70.733 70.729 0.004 19617 6779 1 16 . 1 1 76 76 THR H H 76 8.650 8.650 7.773 0.877 19617 6780 1 16 . 1 1 77 77 ALA N N 77 126.453 126.453 126.590 -0.137 19617 6781 1 16 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.053 -0.673 19617 6782 1 16 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.297 -1.867 19617 6783 1 16 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.950 -1.406 19617 6784 1 16 . 1 1 77 77 ALA H H 77 8.674 8.674 7.853 0.821 19617 6785 1 16 . 1 1 78 78 SER N N 78 113.566 113.566 115.188 -1.622 19617 6786 1 16 . 1 1 78 78 SER HA H 78 5.377 5.377 4.756 0.621 19617 6787 1 16 . 1 1 78 78 SER CA C 78 56.077 56.077 57.920 -1.843 19617 6788 1 16 . 1 1 78 78 SER CB C 78 65.730 65.730 65.895 -0.165 19617 6789 1 16 . 1 1 78 78 SER H H 78 8.116 8.116 8.503 -0.387 19617 6790 1 16 . 1 1 79 79 ILE N N 79 121.070 121.070 124.912 -3.842 19617 6791 1 16 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.557 -0.409 19617 6792 1 16 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.986 1.138 19617 6793 1 16 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.774 -1.965 19617 6794 1 16 . 1 1 79 79 ILE H H 79 8.446 8.446 8.730 -0.284 19617 6795 1 16 . 1 1 80 80 GLY N N 80 117.155 117.155 117.235 -0.080 19617 6796 1 16 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.903 -0.897 19617 6797 1 16 . 1 1 80 80 GLY H H 80 8.899 8.899 9.011 -0.112 19617 6798 1 16 . 1 1 81 81 GLY N N 81 110.715 110.715 110.579 0.136 19617 6799 1 16 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.569 -0.191 19617 6800 1 16 . 1 1 81 81 GLY H H 81 8.742 8.742 8.370 0.372 19617 6801 1 16 . 1 1 82 82 ILE N N 82 124.113 124.113 122.114 1.999 19617 6802 1 16 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.412 -0.210 19617 6803 1 16 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.922 -0.889 19617 6804 1 16 . 1 1 82 82 ILE CB C 82 36.777 36.777 40.304 -3.527 19617 6805 1 16 . 1 1 82 82 ILE H H 82 8.188 8.188 7.890 0.298 19617 6806 1 16 . 1 1 83 83 GLN N N 83 122.453 122.453 123.590 -1.137 19617 6807 1 16 . 1 1 83 83 GLN HA H 83 5.396 5.396 5.138 0.258 19617 6808 1 16 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.870 -0.850 19617 6809 1 16 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.982 -0.467 19617 6810 1 16 . 1 1 83 83 GLN H H 83 8.423 8.423 8.397 0.026 19617 6811 1 16 . 1 1 84 84 GLY N N 84 111.436 111.436 106.490 4.946 19617 6812 1 16 . 1 1 84 84 GLY CA C 84 43.698 43.698 45.220 -1.522 19617 6813 1 16 . 1 1 84 84 GLY H H 84 8.931 8.931 8.029 0.902 19617 6814 1 16 . 1 1 85 85 SER N N 85 113.877 113.877 114.654 -0.777 19617 6815 1 16 . 1 1 85 85 SER HA H 85 5.843 5.843 4.805 1.038 19617 6816 1 16 . 1 1 85 85 SER CA C 85 56.264 56.264 56.935 -0.671 19617 6817 1 16 . 1 1 85 85 SER CB C 85 66.946 66.946 66.403 0.544 19617 6818 1 16 . 1 1 85 85 SER H H 85 8.710 8.710 8.073 0.637 19617 6819 1 16 . 1 1 86 86 THR N N 86 115.389 115.389 114.087 1.302 19617 6820 1 16 . 1 1 86 86 THR HA H 86 4.772 4.772 4.510 0.262 19617 6821 1 16 . 1 1 86 86 THR CA C 86 60.313 60.313 60.538 -0.225 19617 6822 1 16 . 1 1 86 86 THR CB C 86 69.852 69.852 71.553 -1.701 19617 6823 1 16 . 1 1 86 86 THR H H 86 8.854 8.854 8.078 0.776 19617 6824 1 16 . 1 1 87 87 ASP N N 87 124.622 124.622 122.532 2.090 19617 6825 1 16 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.997 0.441 19617 6826 1 16 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.068 0.728 19617 6827 1 16 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.780 -0.770 19617 6828 1 16 . 1 1 87 87 ASP H H 87 7.953 7.953 8.393 -0.440 19617 6829 1 16 . 1 1 88 88 PHE N N 88 123.577 123.577 125.368 -1.791 19617 6830 1 16 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.231 -0.298 19617 6831 1 16 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.250 0.718 19617 6832 1 16 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.169 0.716 19617 6833 1 16 . 1 1 88 88 PHE H H 88 9.094 9.094 8.751 0.343 19617 6834 1 16 . 1 1 89 89 LYS N N 89 126.966 126.966 125.964 1.002 19617 6835 1 16 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.962 0.075 19617 6836 1 16 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.271 -1.382 19617 6837 1 16 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.088 -0.419 19617 6838 1 16 . 1 1 89 89 LYS H H 89 7.269 7.269 8.453 -1.184 19617 6839 1 16 . 1 1 90 90 VAL N N 90 126.146 126.146 127.835 -1.689 19617 6840 1 16 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.837 0.171 19617 6841 1 16 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.629 -2.082 19617 6842 1 16 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.707 -1.759 19617 6843 1 16 . 1 1 90 90 VAL H H 90 9.086 9.086 8.943 0.143 19617 6844 1 16 . 1 1 91 91 THR N N 91 120.506 120.506 118.744 1.762 19617 6845 1 16 . 1 1 91 91 THR HA H 91 4.568 4.568 4.653 -0.085 19617 6846 1 16 . 1 1 91 91 THR CA C 91 59.348 59.348 60.481 -1.133 19617 6847 1 16 . 1 1 91 91 THR CB C 91 68.970 68.970 70.718 -1.748 19617 6848 1 16 . 1 1 91 91 THR H H 91 8.757 8.757 8.468 0.289 19617 6849 1 17 . 1 1 2 2 PRO HA H 2 4.271 4.271 5.176 -0.905 19617 6850 1 17 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.825 -1.604 19617 6851 1 17 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.655 -2.239 19617 6852 1 17 . 1 1 3 3 ALA N N 3 123.801 123.801 121.387 2.414 19617 6853 1 17 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.325 -0.119 19617 6854 1 17 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.657 -0.263 19617 6855 1 17 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.857 -2.017 19617 6856 1 17 . 1 1 3 3 ALA H H 3 8.647 8.647 8.182 0.465 19617 6857 1 17 . 1 1 4 4 ALA N N 4 124.058 124.058 122.697 1.361 19617 6858 1 17 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.145 0.534 19617 6859 1 17 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.621 -1.599 19617 6860 1 17 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.087 0.810 19617 6861 1 17 . 1 1 4 4 ALA H H 4 8.239 8.239 8.202 0.037 19617 6862 1 17 . 1 1 5 5 LEU N N 5 124.019 124.019 123.447 0.572 19617 6863 1 17 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.192 -0.820 19617 6864 1 17 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.519 -0.511 19617 6865 1 17 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.408 -1.166 19617 6866 1 17 . 1 1 5 5 LEU H H 5 8.560 8.560 8.166 0.394 19617 6867 1 17 . 1 1 6 6 VAL N N 6 123.358 123.358 120.137 3.221 19617 6868 1 17 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.257 -0.156 19617 6869 1 17 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.663 -1.323 19617 6870 1 17 . 1 1 6 6 VAL CB C 6 32.948 32.948 32.915 0.033 19617 6871 1 17 . 1 1 6 6 VAL H H 6 9.119 9.119 8.123 0.996 19617 6872 1 17 . 1 1 7 7 SER N N 7 112.139 112.139 110.748 1.391 19617 6873 1 17 . 1 1 7 7 SER HA H 7 4.445 4.445 4.831 -0.386 19617 6874 1 17 . 1 1 7 7 SER CA C 7 56.349 56.349 58.204 -1.855 19617 6875 1 17 . 1 1 7 7 SER CB C 7 64.361 64.361 65.126 -0.765 19617 6876 1 17 . 1 1 7 7 SER H H 7 7.680 7.680 7.896 -0.216 19617 6877 1 17 . 1 1 8 8 ILE N N 8 118.677 118.677 116.281 2.396 19617 6878 1 17 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.525 0.156 19617 6879 1 17 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.648 -0.502 19617 6880 1 17 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.464 -0.790 19617 6881 1 17 . 1 1 8 8 ILE H H 8 8.354 8.354 8.271 0.083 19617 6882 1 17 . 1 1 9 9 SER N N 9 121.319 121.319 119.616 1.703 19617 6883 1 17 . 1 1 9 9 SER HA H 9 4.859 4.859 4.806 0.053 19617 6884 1 17 . 1 1 9 9 SER CA C 9 55.381 55.381 58.075 -2.694 19617 6885 1 17 . 1 1 9 9 SER CB C 9 64.243 64.243 63.781 0.462 19617 6886 1 17 . 1 1 9 9 SER H H 9 9.028 9.028 8.374 0.654 19617 6887 1 17 . 1 1 10 10 VAL N N 10 127.508 127.508 125.915 1.593 19617 6888 1 17 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.300 0.751 19617 6889 1 17 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.988 -0.076 19617 6890 1 17 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.963 -0.576 19617 6891 1 17 . 1 1 10 10 VAL H H 10 8.911 8.911 8.468 0.443 19617 6892 1 17 . 1 1 11 11 SER N N 11 121.861 121.861 125.108 -3.247 19617 6893 1 17 . 1 1 11 11 SER CB C 11 64.373 64.373 62.416 1.957 19617 6894 1 17 . 1 1 11 11 SER H H 11 9.205 9.205 8.422 0.783 19617 6895 1 17 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.127 0.583 19617 6896 1 17 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.627 -1.728 19617 6897 1 17 . 1 1 12 12 PRO CB C 12 34.089 34.089 31.872 2.217 19617 6898 1 17 . 1 1 13 13 THR N N 13 116.138 116.138 113.309 2.829 19617 6899 1 17 . 1 1 13 13 THR HA H 13 4.766 4.766 4.369 0.397 19617 6900 1 17 . 1 1 13 13 THR CA C 13 60.153 60.153 60.199 -0.046 19617 6901 1 17 . 1 1 13 13 THR CB C 13 69.426 69.426 70.384 -0.958 19617 6902 1 17 . 1 1 13 13 THR H H 13 8.679 8.679 7.717 0.962 19617 6903 1 17 . 1 1 14 14 ASN N N 14 124.457 124.457 126.076 -1.619 19617 6904 1 17 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.171 -0.474 19617 6905 1 17 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.010 0.118 19617 6906 1 17 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.692 -3.099 19617 6907 1 17 . 1 1 14 14 ASN H H 14 8.710 8.710 8.640 0.070 19617 6908 1 17 . 1 1 15 15 SER N N 15 113.672 113.672 117.693 -4.021 19617 6909 1 17 . 1 1 15 15 SER HA H 15 4.651 4.651 4.634 0.017 19617 6910 1 17 . 1 1 15 15 SER CA C 15 55.644 55.644 57.452 -1.808 19617 6911 1 17 . 1 1 15 15 SER CB C 15 63.953 63.953 64.914 -0.961 19617 6912 1 17 . 1 1 15 15 SER H H 15 9.127 9.127 8.970 0.157 19617 6913 1 17 . 1 1 16 16 THR N N 16 113.578 113.578 113.342 0.236 19617 6914 1 17 . 1 1 16 16 THR HA H 16 4.975 4.975 4.519 0.456 19617 6915 1 17 . 1 1 16 16 THR CA C 16 58.445 58.445 60.895 -2.450 19617 6916 1 17 . 1 1 16 16 THR CB C 16 70.534 70.534 69.824 0.710 19617 6917 1 17 . 1 1 16 16 THR H H 16 7.962 7.962 8.177 -0.215 19617 6918 1 17 . 1 1 17 17 VAL N N 17 121.480 121.480 121.703 -0.223 19617 6919 1 17 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.424 -0.102 19617 6920 1 17 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.291 -0.354 19617 6921 1 17 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.119 -0.715 19617 6922 1 17 . 1 1 17 17 VAL H H 17 7.969 7.969 8.774 -0.805 19617 6923 1 17 . 1 1 18 18 ALA N N 18 126.013 126.013 125.221 0.792 19617 6924 1 17 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.423 -0.248 19617 6925 1 17 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.737 -0.774 19617 6926 1 17 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.691 -0.769 19617 6927 1 17 . 1 1 18 18 ALA H H 18 7.756 7.756 8.370 -0.614 19617 6928 1 17 . 1 1 19 19 LYS N N 19 119.740 119.740 121.493 -1.753 19617 6929 1 17 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.075 -0.586 19617 6930 1 17 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.646 1.126 19617 6931 1 17 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.158 -0.556 19617 6932 1 17 . 1 1 19 19 LYS H H 19 7.892 7.892 8.299 -0.407 19617 6933 1 17 . 1 1 20 20 GLY N N 20 116.706 116.706 111.723 4.983 19617 6934 1 17 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.429 -1.666 19617 6935 1 17 . 1 1 20 20 GLY H H 20 8.615 8.615 8.522 0.093 19617 6936 1 17 . 1 1 21 21 LEU N N 21 123.004 123.004 123.526 -0.522 19617 6937 1 17 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.583 0.007 19617 6938 1 17 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.181 -0.815 19617 6939 1 17 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.300 -5.338 19617 6940 1 17 . 1 1 21 21 LEU H H 21 8.013 8.013 7.724 0.289 19617 6941 1 17 . 1 1 22 22 GLN N N 22 117.502 117.502 117.091 0.411 19617 6942 1 17 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.338 -0.212 19617 6943 1 17 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.861 -0.192 19617 6944 1 17 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.358 -0.444 19617 6945 1 17 . 1 1 22 22 GLN H H 22 8.223 8.223 8.278 -0.055 19617 6946 1 17 . 1 1 23 23 GLU N N 23 118.123 118.123 121.584 -3.461 19617 6947 1 17 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.668 -0.106 19617 6948 1 17 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.968 -2.101 19617 6949 1 17 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.927 -1.053 19617 6950 1 17 . 1 1 23 23 GLU H H 23 8.188 8.188 8.749 -0.561 19617 6951 1 17 . 1 1 24 24 ASN N N 24 125.843 125.843 120.260 5.583 19617 6952 1 17 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.738 0.039 19617 6953 1 17 . 1 1 24 24 ASN CA C 24 52.511 52.511 51.872 0.639 19617 6954 1 17 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.605 -0.859 19617 6955 1 17 . 1 1 24 24 ASN H H 24 9.391 9.391 8.421 0.970 19617 6956 1 17 . 1 1 25 25 PHE N N 25 122.822 122.822 119.509 3.313 19617 6957 1 17 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.818 -0.168 19617 6958 1 17 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.077 1.046 19617 6959 1 17 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.033 -1.974 19617 6960 1 17 . 1 1 25 25 PHE H H 25 8.059 8.059 7.709 0.350 19617 6961 1 17 . 1 1 26 26 LYS N N 26 119.114 119.114 120.410 -1.296 19617 6962 1 17 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.690 0.554 19617 6963 1 17 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.105 -3.130 19617 6964 1 17 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.867 -1.206 19617 6965 1 17 . 1 1 26 26 LYS H H 26 9.255 9.255 8.949 0.306 19617 6966 1 17 . 1 1 27 27 ALA N N 27 125.586 125.586 128.432 -2.846 19617 6967 1 17 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.319 -0.056 19617 6968 1 17 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.118 -2.301 19617 6969 1 17 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.800 -0.640 19617 6970 1 17 . 1 1 27 27 ALA H H 27 9.119 9.119 8.528 0.591 19617 6971 1 17 . 1 1 28 28 THR N N 28 120.628 120.628 119.574 1.054 19617 6972 1 17 . 1 1 28 28 THR HA H 28 4.843 4.843 4.559 0.284 19617 6973 1 17 . 1 1 28 28 THR CA C 28 60.566 60.566 61.601 -1.035 19617 6974 1 17 . 1 1 28 28 THR CB C 28 69.478 69.478 70.751 -1.273 19617 6975 1 17 . 1 1 28 28 THR H H 28 9.061 9.061 7.993 1.068 19617 6976 1 17 . 1 1 29 29 GLY N N 29 115.787 115.787 113.347 2.440 19617 6977 1 17 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.816 0.500 19617 6978 1 17 . 1 1 29 29 GLY H H 29 9.663 9.663 8.302 1.361 19617 6979 1 17 . 1 1 30 30 ILE N N 30 123.084 123.084 125.305 -2.221 19617 6980 1 17 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.015 0.766 19617 6981 1 17 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.903 -1.514 19617 6982 1 17 . 1 1 30 30 ILE CB C 30 36.883 36.883 37.843 -0.960 19617 6983 1 17 . 1 1 30 30 ILE H H 30 7.914 7.914 8.056 -0.142 19617 6984 1 17 . 1 1 31 31 PHE N N 31 125.209 125.209 123.995 1.214 19617 6985 1 17 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.960 0.410 19617 6986 1 17 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.950 0.537 19617 6987 1 17 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.297 -0.144 19617 6988 1 17 . 1 1 31 31 PHE H H 31 8.316 8.316 8.001 0.315 19617 6989 1 17 . 1 1 32 32 THR N N 32 113.843 113.843 115.716 -1.873 19617 6990 1 17 . 1 1 32 32 THR HA H 32 4.409 4.409 4.206 0.203 19617 6991 1 17 . 1 1 32 32 THR CA C 32 64.157 64.157 64.803 -0.646 19617 6992 1 17 . 1 1 32 32 THR CB C 32 68.540 68.540 68.318 0.222 19617 6993 1 17 . 1 1 32 32 THR H H 32 9.335 9.335 9.028 0.307 19617 6994 1 17 . 1 1 33 33 ASP N N 33 118.799 118.799 119.986 -1.187 19617 6995 1 17 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.624 -0.002 19617 6996 1 17 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.422 -1.459 19617 6997 1 17 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.452 -0.958 19617 6998 1 17 . 1 1 33 33 ASP H H 33 7.689 7.689 8.024 -0.335 19617 6999 1 17 . 1 1 34 34 ASN N N 34 112.999 112.999 116.255 -3.256 19617 7000 1 17 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.427 -0.077 19617 7001 1 17 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.852 0.494 19617 7002 1 17 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.951 -0.461 19617 7003 1 17 . 1 1 34 34 ASN H H 34 8.370 8.370 7.708 0.662 19617 7004 1 17 . 1 1 35 35 SER N N 35 115.544 115.544 109.514 6.030 19617 7005 1 17 . 1 1 35 35 SER HA H 35 4.410 4.410 3.981 0.429 19617 7006 1 17 . 1 1 35 35 SER CA C 35 57.882 57.882 59.420 -1.538 19617 7007 1 17 . 1 1 35 35 SER CB C 35 63.770 63.770 62.683 1.087 19617 7008 1 17 . 1 1 35 35 SER H H 35 7.990 7.990 8.226 -0.236 19617 7009 1 17 . 1 1 36 36 ASN N N 36 116.055 116.055 120.090 -4.035 19617 7010 1 17 . 1 1 36 36 ASN CA C 36 50.674 50.674 51.910 -1.236 19617 7011 1 17 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.097 -0.298 19617 7012 1 17 . 1 1 36 36 ASN H H 36 8.518 8.518 7.918 0.600 19617 7013 1 17 . 1 1 37 37 SER N N 37 113.193 113.193 115.419 -2.226 19617 7014 1 17 . 1 1 37 37 SER HA H 37 4.719 4.719 4.489 0.230 19617 7015 1 17 . 1 1 37 37 SER CA C 37 56.801 56.801 58.413 -1.612 19617 7016 1 17 . 1 1 37 37 SER CB C 37 64.872 64.872 64.130 0.742 19617 7017 1 17 . 1 1 37 37 SER H H 37 8.667 8.667 8.571 0.096 19617 7018 1 17 . 1 1 38 38 ASP N N 38 123.964 123.964 124.570 -0.606 19617 7019 1 17 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.704 0.278 19617 7020 1 17 . 1 1 38 38 ASP CA C 38 54.201 54.201 55.841 -1.640 19617 7021 1 17 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.594 -0.665 19617 7022 1 17 . 1 1 38 38 ASP H H 38 8.849 8.849 8.812 0.037 19617 7023 1 17 . 1 1 39 39 ILE N N 39 121.214 121.214 122.848 -1.634 19617 7024 1 17 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.218 0.658 19617 7025 1 17 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.910 -3.204 19617 7026 1 17 . 1 1 39 39 ILE CB C 39 37.086 37.086 38.580 -1.494 19617 7027 1 17 . 1 1 39 39 ILE H H 39 8.816 8.816 7.978 0.838 19617 7028 1 17 . 1 1 40 40 THR N N 40 122.861 122.861 118.785 4.076 19617 7029 1 17 . 1 1 40 40 THR HA H 40 4.289 4.289 4.124 0.165 19617 7030 1 17 . 1 1 40 40 THR CB C 40 68.527 68.527 68.650 -0.123 19617 7031 1 17 . 1 1 40 40 THR H H 40 8.679 8.679 8.137 0.542 19617 7032 1 17 . 1 1 41 41 ASP N N 41 114.076 114.076 117.947 -3.871 19617 7033 1 17 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.663 -0.966 19617 7034 1 17 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.533 -1.055 19617 7035 1 17 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.228 -2.510 19617 7036 1 17 . 1 1 41 41 ASP H H 41 8.539 8.539 8.479 0.060 19617 7037 1 17 . 1 1 42 42 GLN N N 42 117.086 117.086 118.549 -1.463 19617 7038 1 17 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.064 0.082 19617 7039 1 17 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.178 -0.642 19617 7040 1 17 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.468 2.748 19617 7041 1 17 . 1 1 42 42 GLN H H 42 7.718 7.718 7.796 -0.078 19617 7042 1 17 . 1 1 43 43 VAL N N 43 109.916 109.916 122.095 -12.179 19617 7043 1 17 . 1 1 43 43 VAL HA H 43 4.091 4.091 4.125 -0.034 19617 7044 1 17 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.755 -3.916 19617 7045 1 17 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.839 -1.565 19617 7046 1 17 . 1 1 43 43 VAL H H 43 6.902 6.902 8.154 -1.252 19617 7047 1 17 . 1 1 44 44 THR N N 44 116.270 116.270 125.323 -9.053 19617 7048 1 17 . 1 1 44 44 THR HA H 44 4.311 4.311 4.399 -0.088 19617 7049 1 17 . 1 1 44 44 THR CA C 44 61.651 61.651 62.210 -0.559 19617 7050 1 17 . 1 1 44 44 THR CB C 44 68.890 68.890 68.151 0.739 19617 7051 1 17 . 1 1 44 44 THR H H 44 8.787 8.787 7.955 0.832 19617 7052 1 17 . 1 1 45 45 TRP N N 45 132.099 132.099 125.225 6.874 19617 7053 1 17 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.601 -0.355 19617 7054 1 17 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.531 0.856 19617 7055 1 17 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.934 -0.857 19617 7056 1 17 . 1 1 45 45 TRP H H 45 10.351 10.351 8.066 2.285 19617 7057 1 17 . 1 1 46 46 ASP N N 46 121.897 121.897 121.633 0.264 19617 7058 1 17 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.081 -0.222 19617 7059 1 17 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.764 -0.966 19617 7060 1 17 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.297 -0.222 19617 7061 1 17 . 1 1 46 46 ASP H H 46 9.471 9.471 8.578 0.893 19617 7062 1 17 . 1 1 47 47 SER N N 47 113.805 113.805 116.241 -2.436 19617 7063 1 17 . 1 1 47 47 SER HA H 47 5.044 5.044 4.913 0.131 19617 7064 1 17 . 1 1 47 47 SER CA C 47 53.059 53.059 57.207 -4.148 19617 7065 1 17 . 1 1 47 47 SER CB C 47 64.880 64.880 65.396 -0.516 19617 7066 1 17 . 1 1 47 47 SER H H 47 8.502 8.502 8.506 -0.004 19617 7067 1 17 . 1 1 48 48 SER N N 48 119.614 119.614 117.896 1.718 19617 7068 1 17 . 1 1 48 48 SER HA H 48 4.281 4.281 4.648 -0.367 19617 7069 1 17 . 1 1 48 48 SER CA C 48 59.404 59.404 57.174 2.230 19617 7070 1 17 . 1 1 48 48 SER CB C 48 62.026 62.026 64.648 -2.622 19617 7071 1 17 . 1 1 48 48 SER H H 48 8.518 8.518 8.289 0.229 19617 7072 1 17 . 1 1 49 49 ASN N N 49 118.260 118.260 122.318 -4.058 19617 7073 1 17 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.905 -0.010 19617 7074 1 17 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.447 -0.606 19617 7075 1 17 . 1 1 49 49 ASN CB C 49 37.720 37.720 40.932 -3.212 19617 7076 1 17 . 1 1 49 49 ASN H H 49 7.816 7.816 8.740 -0.924 19617 7077 1 17 . 1 1 50 50 THR N N 50 119.289 119.289 113.900 5.389 19617 7078 1 17 . 1 1 50 50 THR HA H 50 4.567 4.567 4.659 -0.092 19617 7079 1 17 . 1 1 50 50 THR CA C 50 62.137 62.137 62.710 -0.573 19617 7080 1 17 . 1 1 50 50 THR CB C 50 67.100 67.100 69.488 -2.388 19617 7081 1 17 . 1 1 50 50 THR H H 50 9.048 9.048 8.218 0.830 19617 7082 1 17 . 1 1 51 51 ASP N N 51 118.825 118.825 120.075 -1.250 19617 7083 1 17 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.792 -0.215 19617 7084 1 17 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.236 0.454 19617 7085 1 17 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.260 -3.602 19617 7086 1 17 . 1 1 51 51 ASP H H 51 8.251 8.251 7.912 0.339 19617 7087 1 17 . 1 1 52 52 ILE N N 52 118.410 118.410 120.907 -2.497 19617 7088 1 17 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.414 -0.488 19617 7089 1 17 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.560 1.121 19617 7090 1 17 . 1 1 52 52 ILE CB C 52 38.896 38.896 40.639 -1.743 19617 7091 1 17 . 1 1 52 52 ILE H H 52 7.169 7.169 7.806 -0.637 19617 7092 1 17 . 1 1 53 53 LEU N N 53 120.129 120.129 121.072 -0.943 19617 7093 1 17 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.868 0.154 19617 7094 1 17 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.099 -0.818 19617 7095 1 17 . 1 1 53 53 LEU CB C 53 46.405 46.405 43.988 2.417 19617 7096 1 17 . 1 1 53 53 LEU H H 53 7.876 7.876 8.309 -0.433 19617 7097 1 17 . 1 1 54 54 SER N N 54 122.249 122.249 118.602 3.647 19617 7098 1 17 . 1 1 54 54 SER HA H 54 4.954 4.954 4.778 0.176 19617 7099 1 17 . 1 1 54 54 SER CA C 54 54.724 54.724 57.946 -3.222 19617 7100 1 17 . 1 1 54 54 SER CB C 54 64.417 64.417 65.090 -0.673 19617 7101 1 17 . 1 1 54 54 SER H H 54 8.650 8.650 8.731 -0.081 19617 7102 1 17 . 1 1 55 55 ILE N N 55 123.973 123.973 125.364 -1.391 19617 7103 1 17 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.377 0.525 19617 7104 1 17 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.140 -1.272 19617 7105 1 17 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.665 -0.247 19617 7106 1 17 . 1 1 55 55 ILE H H 55 9.081 9.081 8.347 0.734 19617 7107 1 17 . 1 1 56 56 SER N N 56 119.541 119.541 122.853 -3.312 19617 7108 1 17 . 1 1 56 56 SER HA H 56 4.384 4.384 3.791 0.593 19617 7109 1 17 . 1 1 56 56 SER CA C 56 56.626 56.626 56.466 0.160 19617 7110 1 17 . 1 1 56 56 SER CB C 56 63.106 63.106 64.238 -1.132 19617 7111 1 17 . 1 1 56 56 SER H H 56 7.905 7.905 7.953 -0.048 19617 7112 1 17 . 1 1 57 57 ASN N N 57 124.208 124.208 123.068 1.140 19617 7113 1 17 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.819 0.197 19617 7114 1 17 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.888 -0.419 19617 7115 1 17 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.075 1.015 19617 7116 1 17 . 1 1 57 57 ASN H H 57 8.945 8.945 8.228 0.717 19617 7117 1 17 . 1 1 58 58 ALA N N 58 124.301 124.301 121.772 2.529 19617 7118 1 17 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.532 -0.398 19617 7119 1 17 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.853 -0.566 19617 7120 1 17 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.540 -1.186 19617 7121 1 17 . 1 1 58 58 ALA H H 58 8.150 8.150 8.098 0.052 19617 7122 1 17 . 1 1 59 59 SER N N 59 113.293 113.293 115.218 -1.925 19617 7123 1 17 . 1 1 59 59 SER HA H 59 4.706 4.706 4.289 0.417 19617 7124 1 17 . 1 1 59 59 SER CA C 59 60.003 60.003 60.426 -0.423 19617 7125 1 17 . 1 1 59 59 SER CB C 59 62.574 62.574 63.563 -0.989 19617 7126 1 17 . 1 1 59 59 SER H H 59 8.377 8.377 8.455 -0.078 19617 7127 1 17 . 1 1 60 60 ASP N N 60 116.272 116.272 114.845 1.427 19617 7128 1 17 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.681 -0.010 19617 7129 1 17 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.069 -2.310 19617 7130 1 17 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.051 -2.339 19617 7131 1 17 . 1 1 60 60 ASP H H 60 8.310 8.310 8.402 -0.092 19617 7132 1 17 . 1 1 61 61 SER N N 61 112.651 112.651 112.274 0.377 19617 7133 1 17 . 1 1 61 61 SER HA H 61 4.630 4.630 4.606 0.024 19617 7134 1 17 . 1 1 61 61 SER CA C 61 56.180 56.180 58.333 -2.153 19617 7135 1 17 . 1 1 61 61 SER CB C 61 61.843 61.843 63.729 -1.886 19617 7136 1 17 . 1 1 61 61 SER H H 61 7.588 7.588 7.681 -0.093 19617 7137 1 17 . 1 1 62 62 HIS N N 62 119.790 119.790 121.504 -1.714 19617 7138 1 17 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.620 -0.574 19617 7139 1 17 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.178 0.741 19617 7140 1 17 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.831 -2.307 19617 7141 1 17 . 1 1 62 62 HIS H H 62 8.030 8.030 8.110 -0.080 19617 7142 1 17 . 1 1 63 63 GLY N N 63 113.297 113.297 110.908 2.389 19617 7143 1 17 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.304 -0.651 19617 7144 1 17 . 1 1 63 63 GLY H H 63 8.733 8.733 8.647 0.086 19617 7145 1 17 . 1 1 64 64 LEU N N 64 120.663 120.663 124.270 -3.607 19617 7146 1 17 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.172 -0.786 19617 7147 1 17 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.420 1.473 19617 7148 1 17 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.034 -1.571 19617 7149 1 17 . 1 1 64 64 LEU H H 64 7.680 7.680 7.456 0.224 19617 7150 1 17 . 1 1 65 65 ALA N N 65 108.347 108.347 125.488 -17.141 19617 7151 1 17 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.738 0.664 19617 7152 1 17 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.661 -1.395 19617 7153 1 17 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.867 -0.312 19617 7154 1 17 . 1 1 65 65 ALA H H 65 9.874 9.874 8.413 1.461 19617 7155 1 17 . 1 1 66 66 SER N N 66 115.950 115.950 118.379 -2.429 19617 7156 1 17 . 1 1 66 66 SER HA H 66 4.906 4.906 5.636 -0.731 19617 7157 1 17 . 1 1 66 66 SER CA C 66 56.645 56.645 56.274 0.371 19617 7158 1 17 . 1 1 66 66 SER CB C 66 63.823 63.823 65.065 -1.242 19617 7159 1 17 . 1 1 66 66 SER H H 66 8.938 8.938 8.764 0.174 19617 7160 1 17 . 1 1 67 67 THR N N 67 113.595 113.595 114.227 -0.632 19617 7161 1 17 . 1 1 67 67 THR HA H 67 4.649 4.649 5.039 -0.390 19617 7162 1 17 . 1 1 67 67 THR CA C 67 59.216 59.216 60.740 -1.524 19617 7163 1 17 . 1 1 67 67 THR CB C 67 69.006 69.006 71.745 -2.739 19617 7164 1 17 . 1 1 67 67 THR H H 67 8.257 8.257 8.411 -0.154 19617 7165 1 17 . 1 1 68 68 LEU N N 68 124.152 124.152 121.033 3.119 19617 7166 1 17 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.678 -0.316 19617 7167 1 17 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.663 -0.552 19617 7168 1 17 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.006 -0.091 19617 7169 1 17 . 1 1 68 68 LEU H H 68 8.616 8.616 8.680 -0.064 19617 7170 1 17 . 1 1 69 69 ASN N N 69 115.820 115.820 116.547 -0.727 19617 7171 1 17 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.867 -0.207 19617 7172 1 17 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.755 -0.299 19617 7173 1 17 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.312 1.994 19617 7174 1 17 . 1 1 69 69 ASN H H 69 7.965 7.965 7.973 -0.008 19617 7175 1 17 . 1 1 70 70 GLN N N 70 114.562 114.562 119.111 -4.549 19617 7176 1 17 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.487 -0.561 19617 7177 1 17 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.670 -0.433 19617 7178 1 17 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.264 -0.258 19617 7179 1 17 . 1 1 70 70 GLN H H 70 8.287 8.287 8.497 -0.210 19617 7180 1 17 . 1 1 71 71 GLY N N 71 108.005 108.005 114.876 -6.871 19617 7181 1 17 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.058 -1.372 19617 7182 1 17 . 1 1 71 71 GLY H H 71 8.520 8.520 8.237 0.283 19617 7183 1 17 . 1 1 72 72 ASN N N 72 117.787 117.787 119.628 -1.841 19617 7184 1 17 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.881 0.592 19617 7185 1 17 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.340 -0.648 19617 7186 1 17 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.887 -1.991 19617 7187 1 17 . 1 1 72 72 ASN H H 72 8.420 8.420 8.273 0.147 19617 7188 1 17 . 1 1 73 73 VAL N N 73 115.846 115.846 119.518 -3.672 19617 7189 1 17 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.840 -0.313 19617 7190 1 17 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.285 -1.310 19617 7191 1 17 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.219 -1.040 19617 7192 1 17 . 1 1 73 73 VAL H H 73 8.990 8.990 9.066 -0.076 19617 7193 1 17 . 1 1 74 74 LYS N N 74 123.195 123.195 127.895 -4.700 19617 7194 1 17 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.913 0.241 19617 7195 1 17 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.395 -0.514 19617 7196 1 17 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.372 -0.775 19617 7197 1 17 . 1 1 74 74 LYS H H 74 8.715 8.715 8.458 0.257 19617 7198 1 17 . 1 1 75 75 VAL N N 75 129.521 129.521 128.593 0.928 19617 7199 1 17 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.782 -0.239 19617 7200 1 17 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.738 0.078 19617 7201 1 17 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.474 0.009 19617 7202 1 17 . 1 1 75 75 VAL H H 75 8.975 8.975 8.820 0.155 19617 7203 1 17 . 1 1 76 76 THR N N 76 120.544 120.544 121.718 -1.174 19617 7204 1 17 . 1 1 76 76 THR HA H 76 5.067 5.067 4.736 0.331 19617 7205 1 17 . 1 1 76 76 THR CA C 76 59.783 59.783 60.848 -1.065 19617 7206 1 17 . 1 1 76 76 THR CB C 76 70.733 70.733 70.111 0.622 19617 7207 1 17 . 1 1 76 76 THR H H 76 8.650 8.650 8.970 -0.320 19617 7208 1 17 . 1 1 77 77 ALA N N 77 126.453 126.453 128.966 -2.513 19617 7209 1 17 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.542 -1.162 19617 7210 1 17 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.151 -2.721 19617 7211 1 17 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.869 -2.325 19617 7212 1 17 . 1 1 77 77 ALA H H 77 8.674 8.674 8.879 -0.205 19617 7213 1 17 . 1 1 78 78 SER N N 78 113.566 113.566 117.372 -3.806 19617 7214 1 17 . 1 1 78 78 SER HA H 78 5.377 5.377 4.828 0.549 19617 7215 1 17 . 1 1 78 78 SER CA C 78 56.077 56.077 57.771 -1.694 19617 7216 1 17 . 1 1 78 78 SER CB C 78 65.730 65.730 66.086 -0.356 19617 7217 1 17 . 1 1 78 78 SER H H 78 8.116 8.116 8.373 -0.257 19617 7218 1 17 . 1 1 79 79 ILE N N 79 121.070 121.070 123.124 -2.054 19617 7219 1 17 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.481 -0.333 19617 7220 1 17 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.521 0.603 19617 7221 1 17 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.711 -1.902 19617 7222 1 17 . 1 1 79 79 ILE H H 79 8.446 8.446 7.694 0.752 19617 7223 1 17 . 1 1 80 80 GLY N N 80 117.155 117.155 115.807 1.348 19617 7224 1 17 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.160 -0.154 19617 7225 1 17 . 1 1 80 80 GLY H H 80 8.899 8.899 8.710 0.189 19617 7226 1 17 . 1 1 81 81 GLY N N 81 110.715 110.715 111.647 -0.932 19617 7227 1 17 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.139 -0.761 19617 7228 1 17 . 1 1 81 81 GLY H H 81 8.742 8.742 8.149 0.593 19617 7229 1 17 . 1 1 82 82 ILE N N 82 124.113 124.113 122.580 1.533 19617 7230 1 17 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.037 0.165 19617 7231 1 17 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.989 -1.956 19617 7232 1 17 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.188 -1.411 19617 7233 1 17 . 1 1 82 82 ILE H H 82 8.188 8.188 8.085 0.103 19617 7234 1 17 . 1 1 83 83 GLN N N 83 122.453 122.453 122.048 0.405 19617 7235 1 17 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.576 0.820 19617 7236 1 17 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.003 -0.983 19617 7237 1 17 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.636 -0.122 19617 7238 1 17 . 1 1 83 83 GLN H H 83 8.423 8.423 8.177 0.246 19617 7239 1 17 . 1 1 84 84 GLY N N 84 111.436 111.436 107.859 3.577 19617 7240 1 17 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.483 -0.785 19617 7241 1 17 . 1 1 84 84 GLY H H 84 8.931 8.931 9.157 -0.226 19617 7242 1 17 . 1 1 85 85 SER N N 85 113.877 113.877 115.973 -2.096 19617 7243 1 17 . 1 1 85 85 SER HA H 85 5.843 5.843 5.157 0.686 19617 7244 1 17 . 1 1 85 85 SER CA C 85 56.264 56.264 56.573 -0.309 19617 7245 1 17 . 1 1 85 85 SER CB C 85 66.946 66.946 66.312 0.634 19617 7246 1 17 . 1 1 85 85 SER H H 85 8.710 8.710 8.259 0.451 19617 7247 1 17 . 1 1 86 86 THR N N 86 115.389 115.389 113.428 1.961 19617 7248 1 17 . 1 1 86 86 THR HA H 86 4.772 4.772 4.937 -0.165 19617 7249 1 17 . 1 1 86 86 THR CA C 86 60.313 60.313 60.795 -0.482 19617 7250 1 17 . 1 1 86 86 THR CB C 86 69.852 69.852 71.655 -1.803 19617 7251 1 17 . 1 1 86 86 THR H H 86 8.854 8.854 8.304 0.550 19617 7252 1 17 . 1 1 87 87 ASP N N 87 124.622 124.622 123.584 1.038 19617 7253 1 17 . 1 1 87 87 ASP HA H 87 5.438 5.438 5.047 0.391 19617 7254 1 17 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.672 0.124 19617 7255 1 17 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.508 -0.498 19617 7256 1 17 . 1 1 87 87 ASP H H 87 7.953 7.953 8.835 -0.882 19617 7257 1 17 . 1 1 88 88 PHE N N 88 123.577 123.577 125.239 -1.662 19617 7258 1 17 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.604 -0.671 19617 7259 1 17 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.068 0.900 19617 7260 1 17 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.595 -0.711 19617 7261 1 17 . 1 1 88 88 PHE H H 88 9.094 9.094 9.244 -0.150 19617 7262 1 17 . 1 1 89 89 LYS N N 89 126.966 126.966 124.251 2.715 19617 7263 1 17 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.761 0.276 19617 7264 1 17 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.296 -1.407 19617 7265 1 17 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.866 -1.197 19617 7266 1 17 . 1 1 89 89 LYS H H 89 7.269 7.269 8.409 -1.140 19617 7267 1 17 . 1 1 90 90 VAL N N 90 126.146 126.146 128.745 -2.599 19617 7268 1 17 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.359 -0.351 19617 7269 1 17 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.498 0.049 19617 7270 1 17 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.017 -3.068 19617 7271 1 17 . 1 1 90 90 VAL H H 90 9.086 9.086 8.181 0.905 19617 7272 1 17 . 1 1 91 91 THR N N 91 120.506 120.506 121.953 -1.447 19617 7273 1 17 . 1 1 91 91 THR HA H 91 4.568 4.568 4.779 -0.211 19617 7274 1 17 . 1 1 91 91 THR CA C 91 59.348 59.348 60.075 -0.727 19617 7275 1 17 . 1 1 91 91 THR CB C 91 68.970 68.970 71.171 -2.201 19617 7276 1 17 . 1 1 91 91 THR H H 91 8.757 8.757 7.939 0.818 19617 7277 1 18 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.607 -0.337 19617 7278 1 18 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.388 -2.167 19617 7279 1 18 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.611 -1.195 19617 7280 1 18 . 1 1 3 3 ALA N N 3 123.801 123.801 125.319 -1.518 19617 7281 1 18 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.457 -0.251 19617 7282 1 18 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.382 -0.987 19617 7283 1 18 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.603 -0.763 19617 7284 1 18 . 1 1 3 3 ALA H H 3 8.647 8.647 8.496 0.151 19617 7285 1 18 . 1 1 4 4 ALA N N 4 124.058 124.058 124.898 -0.840 19617 7286 1 18 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.424 0.255 19617 7287 1 18 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.778 -1.756 19617 7288 1 18 . 1 1 4 4 ALA CB C 4 19.897 19.897 18.494 1.403 19617 7289 1 18 . 1 1 4 4 ALA H H 4 8.239 8.239 7.944 0.295 19617 7290 1 18 . 1 1 5 5 LEU N N 5 124.019 124.019 122.084 1.935 19617 7291 1 18 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.342 -0.970 19617 7292 1 18 . 1 1 5 5 LEU CA C 5 55.008 55.008 53.727 1.280 19617 7293 1 18 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.059 -0.817 19617 7294 1 18 . 1 1 5 5 LEU H H 5 8.560 8.560 8.067 0.493 19617 7295 1 18 . 1 1 6 6 VAL N N 6 123.358 123.358 115.414 7.944 19617 7296 1 18 . 1 1 6 6 VAL HA H 6 4.101 4.101 3.133 0.968 19617 7297 1 18 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.432 -0.092 19617 7298 1 18 . 1 1 6 6 VAL CB C 6 32.948 32.948 29.487 3.461 19617 7299 1 18 . 1 1 6 6 VAL H H 6 9.119 9.119 6.171 2.948 19617 7300 1 18 . 1 1 7 7 SER N N 7 112.139 112.139 118.369 -6.230 19617 7301 1 18 . 1 1 7 7 SER HA H 7 4.445 4.445 4.537 -0.092 19617 7302 1 18 . 1 1 7 7 SER CA C 7 56.349 56.349 56.892 -0.544 19617 7303 1 18 . 1 1 7 7 SER CB C 7 64.361 64.361 63.085 1.276 19617 7304 1 18 . 1 1 7 7 SER H H 7 7.680 7.680 7.995 -0.315 19617 7305 1 18 . 1 1 8 8 ILE N N 8 118.677 118.677 127.300 -8.623 19617 7306 1 18 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.896 -0.215 19617 7307 1 18 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.167 -0.021 19617 7308 1 18 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.618 0.056 19617 7309 1 18 . 1 1 8 8 ILE H H 8 8.354 8.354 7.658 0.696 19617 7310 1 18 . 1 1 9 9 SER N N 9 121.319 121.319 125.202 -3.883 19617 7311 1 18 . 1 1 9 9 SER HA H 9 4.859 4.859 4.831 0.028 19617 7312 1 18 . 1 1 9 9 SER CA C 9 55.381 55.381 56.770 -1.389 19617 7313 1 18 . 1 1 9 9 SER CB C 9 64.243 64.243 63.764 0.478 19617 7314 1 18 . 1 1 9 9 SER H H 9 9.028 9.028 8.304 0.724 19617 7315 1 18 . 1 1 10 10 VAL N N 10 127.508 127.508 126.165 1.343 19617 7316 1 18 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.742 0.309 19617 7317 1 18 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.521 0.391 19617 7318 1 18 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.469 -0.082 19617 7319 1 18 . 1 1 10 10 VAL H H 10 8.911 8.911 8.614 0.297 19617 7320 1 18 . 1 1 11 11 SER N N 11 121.861 121.861 125.332 -3.471 19617 7321 1 18 . 1 1 11 11 SER CB C 11 64.373 64.373 63.149 1.224 19617 7322 1 18 . 1 1 11 11 SER H H 11 9.205 9.205 8.378 0.827 19617 7323 1 18 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.569 0.141 19617 7324 1 18 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.707 -1.808 19617 7325 1 18 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.145 1.944 19617 7326 1 18 . 1 1 13 13 THR N N 13 116.138 116.138 117.555 -1.417 19617 7327 1 18 . 1 1 13 13 THR HA H 13 4.766 4.766 4.535 0.231 19617 7328 1 18 . 1 1 13 13 THR CA C 13 60.153 60.153 60.884 -0.731 19617 7329 1 18 . 1 1 13 13 THR CB C 13 69.426 69.426 69.976 -0.550 19617 7330 1 18 . 1 1 13 13 THR H H 13 8.679 8.679 8.385 0.294 19617 7331 1 18 . 1 1 14 14 ASN N N 14 124.457 124.457 124.257 0.200 19617 7332 1 18 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.149 -0.452 19617 7333 1 18 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.956 0.172 19617 7334 1 18 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.071 -2.478 19617 7335 1 18 . 1 1 14 14 ASN H H 14 8.710 8.710 8.797 -0.087 19617 7336 1 18 . 1 1 15 15 SER N N 15 113.672 113.672 118.226 -4.554 19617 7337 1 18 . 1 1 15 15 SER HA H 15 4.651 4.651 4.665 -0.014 19617 7338 1 18 . 1 1 15 15 SER CA C 15 55.644 55.644 57.312 -1.668 19617 7339 1 18 . 1 1 15 15 SER CB C 15 63.953 63.953 64.619 -0.666 19617 7340 1 18 . 1 1 15 15 SER H H 15 9.127 9.127 8.957 0.170 19617 7341 1 18 . 1 1 16 16 THR N N 16 113.578 113.578 115.144 -1.566 19617 7342 1 18 . 1 1 16 16 THR HA H 16 4.975 4.975 4.481 0.494 19617 7343 1 18 . 1 1 16 16 THR CA C 16 58.445 58.445 61.196 -2.751 19617 7344 1 18 . 1 1 16 16 THR CB C 16 70.534 70.534 69.757 0.777 19617 7345 1 18 . 1 1 16 16 THR H H 16 7.962 7.962 8.113 -0.151 19617 7346 1 18 . 1 1 17 17 VAL N N 17 121.480 121.480 124.791 -3.311 19617 7347 1 18 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.215 0.107 19617 7348 1 18 . 1 1 17 17 VAL CA C 17 59.937 59.937 58.831 1.106 19617 7349 1 18 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.337 0.067 19617 7350 1 18 . 1 1 17 17 VAL H H 17 7.969 7.969 8.316 -0.347 19617 7351 1 18 . 1 1 18 18 ALA N N 18 126.013 126.013 127.705 -1.692 19617 7352 1 18 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.293 -0.118 19617 7353 1 18 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.751 -0.788 19617 7354 1 18 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.560 -0.638 19617 7355 1 18 . 1 1 18 18 ALA H H 18 7.756 7.756 8.202 -0.446 19617 7356 1 18 . 1 1 19 19 LYS N N 19 119.740 119.740 121.197 -1.457 19617 7357 1 18 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.033 -0.544 19617 7358 1 18 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.011 0.761 19617 7359 1 18 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.840 -1.238 19617 7360 1 18 . 1 1 19 19 LYS H H 19 7.892 7.892 8.422 -0.530 19617 7361 1 18 . 1 1 20 20 GLY N N 20 116.706 116.706 114.531 2.175 19617 7362 1 18 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.334 -1.571 19617 7363 1 18 . 1 1 20 20 GLY H H 20 8.615 8.615 8.588 0.027 19617 7364 1 18 . 1 1 21 21 LEU N N 21 123.004 123.004 123.301 -0.297 19617 7365 1 18 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.487 0.103 19617 7366 1 18 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.244 -0.879 19617 7367 1 18 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.084 -5.122 19617 7368 1 18 . 1 1 21 21 LEU H H 21 8.013 8.013 7.933 0.080 19617 7369 1 18 . 1 1 22 22 GLN N N 22 117.502 117.502 117.704 -0.202 19617 7370 1 18 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.261 -0.135 19617 7371 1 18 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.496 -0.827 19617 7372 1 18 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.125 -0.211 19617 7373 1 18 . 1 1 22 22 GLN H H 22 8.223 8.223 8.458 -0.235 19617 7374 1 18 . 1 1 23 23 GLU N N 23 118.123 118.123 123.037 -4.914 19617 7375 1 18 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.750 -0.188 19617 7376 1 18 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.139 -2.272 19617 7377 1 18 . 1 1 23 23 GLU CB C 23 32.874 32.874 31.504 1.370 19617 7378 1 18 . 1 1 23 23 GLU H H 23 8.188 8.188 8.697 -0.509 19617 7379 1 18 . 1 1 24 24 ASN N N 24 125.843 125.843 122.273 3.570 19617 7380 1 18 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.798 -0.021 19617 7381 1 18 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.517 -0.006 19617 7382 1 18 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.654 0.092 19617 7383 1 18 . 1 1 24 24 ASN H H 24 9.391 9.391 8.577 0.814 19617 7384 1 18 . 1 1 25 25 PHE N N 25 122.822 122.822 115.777 7.045 19617 7385 1 18 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.897 -0.247 19617 7386 1 18 . 1 1 25 25 PHE CA C 25 57.123 57.123 55.746 1.377 19617 7387 1 18 . 1 1 25 25 PHE CB C 25 39.059 39.059 40.803 -1.744 19617 7388 1 18 . 1 1 25 25 PHE H H 25 8.059 8.059 7.598 0.461 19617 7389 1 18 . 1 1 26 26 LYS N N 26 119.114 119.114 119.472 -0.358 19617 7390 1 18 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.690 0.554 19617 7391 1 18 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.140 -3.164 19617 7392 1 18 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.826 -1.165 19617 7393 1 18 . 1 1 26 26 LYS H H 26 9.255 9.255 8.856 0.399 19617 7394 1 18 . 1 1 27 27 ALA N N 27 125.586 125.586 128.493 -2.907 19617 7395 1 18 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.099 0.164 19617 7396 1 18 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.490 -2.673 19617 7397 1 18 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.122 -0.962 19617 7398 1 18 . 1 1 27 27 ALA H H 27 9.119 9.119 8.419 0.700 19617 7399 1 18 . 1 1 28 28 THR N N 28 120.628 120.628 119.178 1.450 19617 7400 1 18 . 1 1 28 28 THR HA H 28 4.843 4.843 4.679 0.164 19617 7401 1 18 . 1 1 28 28 THR CA C 28 60.566 60.566 60.795 -0.229 19617 7402 1 18 . 1 1 28 28 THR CB C 28 69.478 69.478 70.507 -1.029 19617 7403 1 18 . 1 1 28 28 THR H H 28 9.061 9.061 7.890 1.171 19617 7404 1 18 . 1 1 29 29 GLY N N 29 115.787 115.787 113.748 2.039 19617 7405 1 18 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.346 -0.030 19617 7406 1 18 . 1 1 29 29 GLY H H 29 9.663 9.663 8.749 0.914 19617 7407 1 18 . 1 1 30 30 ILE N N 30 123.084 123.084 124.442 -1.358 19617 7408 1 18 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.494 0.287 19617 7409 1 18 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.825 0.563 19617 7410 1 18 . 1 1 30 30 ILE CB C 30 36.883 36.883 38.414 -1.531 19617 7411 1 18 . 1 1 30 30 ILE H H 30 7.914 7.914 8.065 -0.151 19617 7412 1 18 . 1 1 31 31 PHE N N 31 125.209 125.209 128.104 -2.895 19617 7413 1 18 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.231 0.139 19617 7414 1 18 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.764 0.723 19617 7415 1 18 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.432 -1.279 19617 7416 1 18 . 1 1 31 31 PHE H H 31 8.316 8.316 8.979 -0.663 19617 7417 1 18 . 1 1 32 32 THR N N 32 113.843 113.843 123.052 -9.209 19617 7418 1 18 . 1 1 32 32 THR HA H 32 4.409 4.409 4.201 0.208 19617 7419 1 18 . 1 1 32 32 THR CA C 32 64.157 64.157 66.575 -2.418 19617 7420 1 18 . 1 1 32 32 THR CB C 32 68.540 68.540 69.221 -0.681 19617 7421 1 18 . 1 1 32 32 THR H H 32 9.335 9.335 8.835 0.500 19617 7422 1 18 . 1 1 33 33 ASP N N 33 118.799 118.799 117.930 0.869 19617 7423 1 18 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.692 -0.070 19617 7424 1 18 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.967 -2.004 19617 7425 1 18 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.686 -2.192 19617 7426 1 18 . 1 1 33 33 ASP H H 33 7.689 7.689 8.658 -0.969 19617 7427 1 18 . 1 1 34 34 ASN N N 34 112.999 112.999 117.707 -4.708 19617 7428 1 18 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.641 -0.291 19617 7429 1 18 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.722 0.624 19617 7430 1 18 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.544 -4.054 19617 7431 1 18 . 1 1 34 34 ASN H H 34 8.370 8.370 7.351 1.019 19617 7432 1 18 . 1 1 35 35 SER N N 35 115.544 115.544 114.400 1.144 19617 7433 1 18 . 1 1 35 35 SER HA H 35 4.410 4.410 4.280 0.130 19617 7434 1 18 . 1 1 35 35 SER CA C 35 57.882 57.882 59.097 -1.215 19617 7435 1 18 . 1 1 35 35 SER CB C 35 63.770 63.770 62.280 1.490 19617 7436 1 18 . 1 1 35 35 SER H H 35 7.990 7.990 8.123 -0.133 19617 7437 1 18 . 1 1 36 36 ASN N N 36 116.055 116.055 119.446 -3.391 19617 7438 1 18 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.417 -1.743 19617 7439 1 18 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.697 1.102 19617 7440 1 18 . 1 1 36 36 ASN H H 36 8.518 8.518 7.974 0.544 19617 7441 1 18 . 1 1 37 37 SER N N 37 113.193 113.193 114.814 -1.621 19617 7442 1 18 . 1 1 37 37 SER HA H 37 4.719 4.719 4.532 0.187 19617 7443 1 18 . 1 1 37 37 SER CA C 37 56.801 56.801 58.232 -1.431 19617 7444 1 18 . 1 1 37 37 SER CB C 37 64.872 64.872 64.653 0.219 19617 7445 1 18 . 1 1 37 37 SER H H 37 8.667 8.667 8.509 0.158 19617 7446 1 18 . 1 1 38 38 ASP N N 38 123.964 123.964 121.039 2.925 19617 7447 1 18 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.577 0.405 19617 7448 1 18 . 1 1 38 38 ASP CA C 38 54.201 54.201 55.476 -1.275 19617 7449 1 18 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.851 -0.922 19617 7450 1 18 . 1 1 38 38 ASP H H 38 8.849 8.849 8.739 0.110 19617 7451 1 18 . 1 1 39 39 ILE N N 39 121.214 121.214 123.682 -2.468 19617 7452 1 18 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.201 0.675 19617 7453 1 18 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.515 -2.808 19617 7454 1 18 . 1 1 39 39 ILE CB C 39 37.086 37.086 38.571 -1.484 19617 7455 1 18 . 1 1 39 39 ILE H H 39 8.816 8.816 7.977 0.839 19617 7456 1 18 . 1 1 40 40 THR N N 40 122.861 122.861 117.850 5.011 19617 7457 1 18 . 1 1 40 40 THR HA H 40 4.289 4.289 4.133 0.156 19617 7458 1 18 . 1 1 40 40 THR CB C 40 68.527 68.527 68.836 -0.309 19617 7459 1 18 . 1 1 40 40 THR H H 40 8.679 8.679 7.895 0.784 19617 7460 1 18 . 1 1 41 41 ASP N N 41 114.076 114.076 119.607 -5.531 19617 7461 1 18 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.704 -1.007 19617 7462 1 18 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.099 -0.621 19617 7463 1 18 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.467 -2.749 19617 7464 1 18 . 1 1 41 41 ASP H H 41 8.539 8.539 8.406 0.133 19617 7465 1 18 . 1 1 42 42 GLN N N 42 117.086 117.086 117.078 0.008 19617 7466 1 18 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.002 0.144 19617 7467 1 18 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.263 -0.727 19617 7468 1 18 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.405 3.811 19617 7469 1 18 . 1 1 42 42 GLN H H 42 7.718 7.718 8.213 -0.495 19617 7470 1 18 . 1 1 43 43 VAL N N 43 109.916 109.916 123.190 -13.274 19617 7471 1 18 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.802 0.289 19617 7472 1 18 . 1 1 43 43 VAL CA C 43 58.840 58.840 64.193 -5.353 19617 7473 1 18 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.490 -1.217 19617 7474 1 18 . 1 1 43 43 VAL H H 43 6.902 6.902 8.019 -1.117 19617 7475 1 18 . 1 1 44 44 THR N N 44 116.270 116.270 123.149 -6.879 19617 7476 1 18 . 1 1 44 44 THR HA H 44 4.311 4.311 4.541 -0.230 19617 7477 1 18 . 1 1 44 44 THR CA C 44 61.651 61.651 62.890 -1.239 19617 7478 1 18 . 1 1 44 44 THR CB C 44 68.890 68.890 69.154 -0.264 19617 7479 1 18 . 1 1 44 44 THR H H 44 8.787 8.787 7.990 0.797 19617 7480 1 18 . 1 1 45 45 TRP N N 45 132.099 132.099 128.322 3.777 19617 7481 1 18 . 1 1 45 45 TRP HA H 45 5.246 5.246 4.987 0.259 19617 7482 1 18 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.918 -1.531 19617 7483 1 18 . 1 1 45 45 TRP CB C 45 30.077 30.077 32.446 -2.369 19617 7484 1 18 . 1 1 45 45 TRP H H 45 10.351 10.351 8.735 1.616 19617 7485 1 18 . 1 1 46 46 ASP N N 46 121.897 121.897 122.866 -0.969 19617 7486 1 18 . 1 1 46 46 ASP HA H 46 4.859 4.859 4.991 -0.132 19617 7487 1 18 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.464 -0.667 19617 7488 1 18 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.816 0.259 19617 7489 1 18 . 1 1 46 46 ASP H H 46 9.471 9.471 8.470 1.001 19617 7490 1 18 . 1 1 47 47 SER N N 47 113.805 113.805 117.735 -3.930 19617 7491 1 18 . 1 1 47 47 SER HA H 47 5.044 5.044 4.744 0.300 19617 7492 1 18 . 1 1 47 47 SER CA C 47 53.059 53.059 56.679 -3.620 19617 7493 1 18 . 1 1 47 47 SER CB C 47 64.880 64.880 65.433 -0.553 19617 7494 1 18 . 1 1 47 47 SER H H 47 8.502 8.502 8.483 0.019 19617 7495 1 18 . 1 1 48 48 SER N N 48 119.614 119.614 116.943 2.671 19617 7496 1 18 . 1 1 48 48 SER HA H 48 4.281 4.281 4.391 -0.110 19617 7497 1 18 . 1 1 48 48 SER CA C 48 59.404 59.404 59.827 -0.423 19617 7498 1 18 . 1 1 48 48 SER CB C 48 62.026 62.026 63.775 -1.749 19617 7499 1 18 . 1 1 48 48 SER H H 48 8.518 8.518 8.405 0.113 19617 7500 1 18 . 1 1 49 49 ASN N N 49 118.260 118.260 119.104 -0.844 19617 7501 1 18 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.881 0.014 19617 7502 1 18 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.090 -0.249 19617 7503 1 18 . 1 1 49 49 ASN CB C 49 37.720 37.720 39.847 -2.127 19617 7504 1 18 . 1 1 49 49 ASN H H 49 7.816 7.816 8.524 -0.708 19617 7505 1 18 . 1 1 50 50 THR N N 50 119.289 119.289 115.803 3.486 19617 7506 1 18 . 1 1 50 50 THR HA H 50 4.567 4.567 4.634 -0.067 19617 7507 1 18 . 1 1 50 50 THR CA C 50 62.137 62.137 62.019 0.118 19617 7508 1 18 . 1 1 50 50 THR CB C 50 67.100 67.100 69.973 -2.873 19617 7509 1 18 . 1 1 50 50 THR H H 50 9.048 9.048 8.170 0.878 19617 7510 1 18 . 1 1 51 51 ASP N N 51 118.825 118.825 121.399 -2.574 19617 7511 1 18 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.827 -0.250 19617 7512 1 18 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.883 -0.193 19617 7513 1 18 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.205 -2.547 19617 7514 1 18 . 1 1 51 51 ASP H H 51 8.251 8.251 8.497 -0.246 19617 7515 1 18 . 1 1 52 52 ILE N N 52 118.410 118.410 119.232 -0.822 19617 7516 1 18 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.341 -0.415 19617 7517 1 18 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.667 0.014 19617 7518 1 18 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.165 -0.269 19617 7519 1 18 . 1 1 52 52 ILE H H 52 7.169 7.169 7.794 -0.625 19617 7520 1 18 . 1 1 53 53 LEU N N 53 120.129 120.129 129.030 -8.901 19617 7521 1 18 . 1 1 53 53 LEU HA H 53 5.022 5.022 5.176 -0.154 19617 7522 1 18 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.844 -1.563 19617 7523 1 18 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.122 1.283 19617 7524 1 18 . 1 1 53 53 LEU H H 53 7.876 7.876 8.286 -0.410 19617 7525 1 18 . 1 1 54 54 SER N N 54 122.249 122.249 119.611 2.638 19617 7526 1 18 . 1 1 54 54 SER HA H 54 4.954 4.954 4.930 0.024 19617 7527 1 18 . 1 1 54 54 SER CA C 54 54.724 54.724 57.434 -2.710 19617 7528 1 18 . 1 1 54 54 SER CB C 54 64.417 64.417 65.579 -1.161 19617 7529 1 18 . 1 1 54 54 SER H H 54 8.650 8.650 8.939 -0.289 19617 7530 1 18 . 1 1 55 55 ILE N N 55 123.973 123.973 121.595 2.378 19617 7531 1 18 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.513 0.389 19617 7532 1 18 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.463 -0.595 19617 7533 1 18 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.576 1.842 19617 7534 1 18 . 1 1 55 55 ILE H H 55 9.081 9.081 8.439 0.642 19617 7535 1 18 . 1 1 56 56 SER N N 56 119.541 119.541 122.742 -3.201 19617 7536 1 18 . 1 1 56 56 SER HA H 56 4.384 4.384 4.711 -0.327 19617 7537 1 18 . 1 1 56 56 SER CA C 56 56.626 56.626 57.329 -0.703 19617 7538 1 18 . 1 1 56 56 SER CB C 56 63.106 63.106 64.091 -0.986 19617 7539 1 18 . 1 1 56 56 SER H H 56 7.905 7.905 8.211 -0.306 19617 7540 1 18 . 1 1 57 57 ASN N N 57 124.208 124.208 121.729 2.479 19617 7541 1 18 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.877 0.139 19617 7542 1 18 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.618 -0.149 19617 7543 1 18 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.721 -0.631 19617 7544 1 18 . 1 1 57 57 ASN H H 57 8.945 8.945 8.612 0.333 19617 7545 1 18 . 1 1 58 58 ALA N N 58 124.301 124.301 120.785 3.516 19617 7546 1 18 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.074 0.060 19617 7547 1 18 . 1 1 58 58 ALA CA C 58 51.287 51.287 53.188 -1.901 19617 7548 1 18 . 1 1 58 58 ALA CB C 58 18.354 18.354 17.571 0.783 19617 7549 1 18 . 1 1 58 58 ALA H H 58 8.150 8.150 8.898 -0.748 19617 7550 1 18 . 1 1 59 59 SER N N 59 113.293 113.293 112.990 0.303 19617 7551 1 18 . 1 1 59 59 SER HA H 59 4.706 4.706 4.242 0.464 19617 7552 1 18 . 1 1 59 59 SER CA C 59 60.003 60.003 59.981 0.022 19617 7553 1 18 . 1 1 59 59 SER CB C 59 62.574 62.574 63.502 -0.928 19617 7554 1 18 . 1 1 59 59 SER H H 59 8.377 8.377 8.334 0.043 19617 7555 1 18 . 1 1 60 60 ASP N N 60 116.272 116.272 115.442 0.830 19617 7556 1 18 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.657 0.014 19617 7557 1 18 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.061 -2.302 19617 7558 1 18 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.812 -2.100 19617 7559 1 18 . 1 1 60 60 ASP H H 60 8.310 8.310 8.236 0.074 19617 7560 1 18 . 1 1 61 61 SER N N 61 112.651 112.651 111.256 1.395 19617 7561 1 18 . 1 1 61 61 SER HA H 61 4.630 4.630 4.560 0.070 19617 7562 1 18 . 1 1 61 61 SER CA C 61 56.180 56.180 58.263 -2.083 19617 7563 1 18 . 1 1 61 61 SER CB C 61 61.843 61.843 64.133 -2.290 19617 7564 1 18 . 1 1 61 61 SER H H 61 7.588 7.588 7.615 -0.027 19617 7565 1 18 . 1 1 62 62 HIS N N 62 119.790 119.790 121.363 -1.573 19617 7566 1 18 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.547 -0.501 19617 7567 1 18 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.308 1.611 19617 7568 1 18 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.304 -2.780 19617 7569 1 18 . 1 1 62 62 HIS H H 62 8.030 8.030 8.055 -0.025 19617 7570 1 18 . 1 1 63 63 GLY N N 63 113.297 113.297 108.110 5.187 19617 7571 1 18 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.508 0.145 19617 7572 1 18 . 1 1 63 63 GLY H H 63 8.733 8.733 6.431 2.302 19617 7573 1 18 . 1 1 64 64 LEU N N 64 120.663 120.663 113.457 7.206 19617 7574 1 18 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.786 -0.400 19617 7575 1 18 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.152 -0.259 19617 7576 1 18 . 1 1 64 64 LEU CB C 64 41.463 41.463 42.920 -1.457 19617 7577 1 18 . 1 1 64 64 LEU H H 64 7.680 7.680 7.551 0.129 19617 7578 1 18 . 1 1 65 65 ALA N N 65 108.347 108.347 126.189 -17.842 19617 7579 1 18 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.840 0.562 19617 7580 1 18 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.679 -1.412 19617 7581 1 18 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.144 1.411 19617 7582 1 18 . 1 1 65 65 ALA H H 65 9.874 9.874 8.694 1.180 19617 7583 1 18 . 1 1 66 66 SER N N 66 115.950 115.950 121.006 -5.056 19617 7584 1 18 . 1 1 66 66 SER HA H 66 4.906 4.906 5.748 -0.842 19617 7585 1 18 . 1 1 66 66 SER CA C 66 56.645 56.645 56.204 0.441 19617 7586 1 18 . 1 1 66 66 SER CB C 66 63.823 63.823 64.656 -0.833 19617 7587 1 18 . 1 1 66 66 SER H H 66 8.938 8.938 8.822 0.116 19617 7588 1 18 . 1 1 67 67 THR N N 67 113.595 113.595 119.656 -6.061 19617 7589 1 18 . 1 1 67 67 THR HA H 67 4.649 4.649 5.057 -0.408 19617 7590 1 18 . 1 1 67 67 THR CA C 67 59.216 59.216 60.876 -1.660 19617 7591 1 18 . 1 1 67 67 THR CB C 67 69.006 69.006 71.158 -2.152 19617 7592 1 18 . 1 1 67 67 THR H H 67 8.257 8.257 8.311 -0.054 19617 7593 1 18 . 1 1 68 68 LEU N N 68 124.152 124.152 124.783 -0.631 19617 7594 1 18 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.765 -0.403 19617 7595 1 18 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.681 0.431 19617 7596 1 18 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.670 1.244 19617 7597 1 18 . 1 1 68 68 LEU H H 68 8.616 8.616 8.093 0.523 19617 7598 1 18 . 1 1 69 69 ASN N N 69 115.820 115.820 117.669 -1.849 19617 7599 1 18 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.892 -0.232 19617 7600 1 18 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.281 0.176 19617 7601 1 18 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.968 1.338 19617 7602 1 18 . 1 1 69 69 ASN H H 69 7.965 7.965 7.614 0.351 19617 7603 1 18 . 1 1 70 70 GLN N N 70 114.562 114.562 121.461 -6.899 19617 7604 1 18 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.373 -0.447 19617 7605 1 18 . 1 1 70 70 GLN CA C 70 55.237 55.237 56.648 -1.411 19617 7606 1 18 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.555 0.451 19617 7607 1 18 . 1 1 70 70 GLN H H 70 8.287 8.287 8.983 -0.696 19617 7608 1 18 . 1 1 71 71 GLY N N 71 108.005 108.005 114.594 -6.589 19617 7609 1 18 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.130 -1.444 19617 7610 1 18 . 1 1 71 71 GLY H H 71 8.520 8.520 8.999 -0.479 19617 7611 1 18 . 1 1 72 72 ASN N N 72 117.787 117.787 120.532 -2.745 19617 7612 1 18 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.924 0.549 19617 7613 1 18 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.019 -0.328 19617 7614 1 18 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.849 -1.953 19617 7615 1 18 . 1 1 72 72 ASN H H 72 8.420 8.420 8.258 0.162 19617 7616 1 18 . 1 1 73 73 VAL N N 73 115.846 115.846 112.342 3.504 19617 7617 1 18 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.502 0.025 19617 7618 1 18 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.868 -0.893 19617 7619 1 18 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.219 -0.040 19617 7620 1 18 . 1 1 73 73 VAL H H 73 8.990 8.990 9.062 -0.072 19617 7621 1 18 . 1 1 74 74 LYS N N 74 123.195 123.195 125.408 -2.213 19617 7622 1 18 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.630 0.524 19617 7623 1 18 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.531 -0.650 19617 7624 1 18 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.252 0.345 19617 7625 1 18 . 1 1 74 74 LYS H H 74 8.715 8.715 7.891 0.824 19617 7626 1 18 . 1 1 75 75 VAL N N 75 129.521 129.521 127.683 1.838 19617 7627 1 18 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.701 -0.158 19617 7628 1 18 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.419 -0.603 19617 7629 1 18 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.588 -1.105 19617 7630 1 18 . 1 1 75 75 VAL H H 75 8.975 8.975 8.130 0.845 19617 7631 1 18 . 1 1 76 76 THR N N 76 120.544 120.544 118.927 1.617 19617 7632 1 18 . 1 1 76 76 THR HA H 76 5.067 5.067 4.618 0.449 19617 7633 1 18 . 1 1 76 76 THR CA C 76 59.783 59.783 60.000 -0.217 19617 7634 1 18 . 1 1 76 76 THR CB C 76 70.733 70.733 71.821 -1.088 19617 7635 1 18 . 1 1 76 76 THR H H 76 8.650 8.650 8.447 0.203 19617 7636 1 18 . 1 1 77 77 ALA N N 77 126.453 126.453 123.646 2.807 19617 7637 1 18 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.073 -0.693 19617 7638 1 18 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.429 -1.999 19617 7639 1 18 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.318 -0.774 19617 7640 1 18 . 1 1 77 77 ALA H H 77 8.674 8.674 7.925 0.749 19617 7641 1 18 . 1 1 78 78 SER N N 78 113.566 113.566 115.513 -1.947 19617 7642 1 18 . 1 1 78 78 SER HA H 78 5.377 5.377 4.741 0.636 19617 7643 1 18 . 1 1 78 78 SER CA C 78 56.077 56.077 57.573 -1.496 19617 7644 1 18 . 1 1 78 78 SER CB C 78 65.730 65.730 66.349 -0.619 19617 7645 1 18 . 1 1 78 78 SER H H 78 8.116 8.116 8.502 -0.386 19617 7646 1 18 . 1 1 79 79 ILE N N 79 121.070 121.070 123.954 -2.884 19617 7647 1 18 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.457 -0.309 19617 7648 1 18 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.495 0.629 19617 7649 1 18 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.509 -1.700 19617 7650 1 18 . 1 1 79 79 ILE H H 79 8.446 8.446 8.384 0.062 19617 7651 1 18 . 1 1 80 80 GLY N N 80 117.155 117.155 117.170 -0.015 19617 7652 1 18 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.555 -0.549 19617 7653 1 18 . 1 1 80 80 GLY H H 80 8.899 8.899 8.964 -0.065 19617 7654 1 18 . 1 1 81 81 GLY N N 81 110.715 110.715 110.782 -0.067 19617 7655 1 18 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.726 -0.348 19617 7656 1 18 . 1 1 81 81 GLY H H 81 8.742 8.742 8.069 0.673 19617 7657 1 18 . 1 1 82 82 ILE N N 82 124.113 124.113 121.267 2.846 19617 7658 1 18 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.211 -0.009 19617 7659 1 18 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.006 -0.973 19617 7660 1 18 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.468 -1.691 19617 7661 1 18 . 1 1 82 82 ILE H H 82 8.188 8.188 7.665 0.523 19617 7662 1 18 . 1 1 83 83 GLN N N 83 122.453 122.453 121.671 0.782 19617 7663 1 18 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.967 0.429 19617 7664 1 18 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.067 -1.047 19617 7665 1 18 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.660 -0.145 19617 7666 1 18 . 1 1 83 83 GLN H H 83 8.423 8.423 8.167 0.256 19617 7667 1 18 . 1 1 84 84 GLY N N 84 111.436 111.436 107.012 4.424 19617 7668 1 18 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.708 -0.010 19617 7669 1 18 . 1 1 84 84 GLY H H 84 8.931 8.931 8.601 0.330 19617 7670 1 18 . 1 1 85 85 SER N N 85 113.877 113.877 115.203 -1.326 19617 7671 1 18 . 1 1 85 85 SER HA H 85 5.843 5.843 4.755 1.088 19617 7672 1 18 . 1 1 85 85 SER CA C 85 56.264 56.264 57.323 -1.059 19617 7673 1 18 . 1 1 85 85 SER CB C 85 66.946 66.946 65.788 1.158 19617 7674 1 18 . 1 1 85 85 SER H H 85 8.710 8.710 8.222 0.488 19617 7675 1 18 . 1 1 86 86 THR N N 86 115.389 115.389 117.674 -2.285 19617 7676 1 18 . 1 1 86 86 THR HA H 86 4.772 4.772 4.680 0.092 19617 7677 1 18 . 1 1 86 86 THR CA C 86 60.313 60.313 60.664 -0.351 19617 7678 1 18 . 1 1 86 86 THR CB C 86 69.852 69.852 70.819 -0.967 19617 7679 1 18 . 1 1 86 86 THR H H 86 8.854 8.854 8.518 0.336 19617 7680 1 18 . 1 1 87 87 ASP N N 87 124.622 124.622 125.297 -0.675 19617 7681 1 18 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.994 0.444 19617 7682 1 18 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.452 0.344 19617 7683 1 18 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.749 -0.739 19617 7684 1 18 . 1 1 87 87 ASP H H 87 7.953 7.953 8.409 -0.456 19617 7685 1 18 . 1 1 88 88 PHE N N 88 123.577 123.577 124.843 -1.266 19617 7686 1 18 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.629 -0.696 19617 7687 1 18 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.772 1.196 19617 7688 1 18 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.792 -0.908 19617 7689 1 18 . 1 1 88 88 PHE H H 88 9.094 9.094 8.420 0.674 19617 7690 1 18 . 1 1 89 89 LYS N N 89 126.966 126.966 124.598 2.368 19617 7691 1 18 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.712 0.325 19617 7692 1 18 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.294 -1.405 19617 7693 1 18 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.348 -0.679 19617 7694 1 18 . 1 1 89 89 LYS H H 89 7.269 7.269 8.170 -0.901 19617 7695 1 18 . 1 1 90 90 VAL N N 90 126.146 126.146 128.147 -2.001 19617 7696 1 18 . 1 1 90 90 VAL HA H 90 5.008 5.008 4.985 0.023 19617 7697 1 18 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.607 -2.060 19617 7698 1 18 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.330 -0.382 19617 7699 1 18 . 1 1 90 90 VAL H H 90 9.086 9.086 8.350 0.736 19617 7700 1 18 . 1 1 91 91 THR N N 91 120.506 120.506 120.414 0.092 19617 7701 1 18 . 1 1 91 91 THR HA H 91 4.568 4.568 4.805 -0.237 19617 7702 1 18 . 1 1 91 91 THR CA C 91 59.348 59.348 59.693 -0.345 19617 7703 1 18 . 1 1 91 91 THR CB C 91 68.970 68.970 71.231 -2.260 19617 7704 1 18 . 1 1 91 91 THR H H 91 8.757 8.757 7.942 0.815 19617 7705 1 19 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.751 -0.480 19617 7706 1 19 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.924 -1.703 19617 7707 1 19 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.626 -1.210 19617 7708 1 19 . 1 1 3 3 ALA N N 3 123.801 123.801 121.127 2.674 19617 7709 1 19 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.344 -0.138 19617 7710 1 19 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.952 -0.557 19617 7711 1 19 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.076 -2.236 19617 7712 1 19 . 1 1 3 3 ALA H H 3 8.647 8.647 8.055 0.592 19617 7713 1 19 . 1 1 4 4 ALA N N 4 124.058 124.058 121.632 2.426 19617 7714 1 19 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.699 -0.020 19617 7715 1 19 . 1 1 4 4 ALA CA C 4 50.022 50.022 52.222 -2.200 19617 7716 1 19 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.415 0.482 19617 7717 1 19 . 1 1 4 4 ALA H H 4 8.239 8.239 8.388 -0.149 19617 7718 1 19 . 1 1 5 5 LEU N N 5 124.019 124.019 125.518 -1.499 19617 7719 1 19 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.570 -1.198 19617 7720 1 19 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.231 -0.223 19617 7721 1 19 . 1 1 5 5 LEU CB C 5 41.242 41.242 43.677 -2.435 19617 7722 1 19 . 1 1 5 5 LEU H H 5 8.560 8.560 8.939 -0.379 19617 7723 1 19 . 1 1 6 6 VAL N N 6 123.358 123.358 121.183 2.175 19617 7724 1 19 . 1 1 6 6 VAL HA H 6 4.101 4.101 3.267 0.834 19617 7725 1 19 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.731 -0.391 19617 7726 1 19 . 1 1 6 6 VAL CB C 6 32.948 32.948 31.238 1.710 19617 7727 1 19 . 1 1 6 6 VAL H H 6 9.119 9.119 7.988 1.131 19617 7728 1 19 . 1 1 7 7 SER N N 7 112.139 112.139 120.836 -8.697 19617 7729 1 19 . 1 1 7 7 SER HA H 7 4.445 4.445 4.550 -0.105 19617 7730 1 19 . 1 1 7 7 SER CA C 7 56.349 56.349 58.735 -2.386 19617 7731 1 19 . 1 1 7 7 SER CB C 7 64.361 64.361 63.901 0.460 19617 7732 1 19 . 1 1 7 7 SER H H 7 7.680 7.680 7.883 -0.203 19617 7733 1 19 . 1 1 8 8 ILE N N 8 118.677 118.677 127.319 -8.642 19617 7734 1 19 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.604 0.077 19617 7735 1 19 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.898 -0.752 19617 7736 1 19 . 1 1 8 8 ILE CB C 8 41.674 41.674 39.724 1.950 19617 7737 1 19 . 1 1 8 8 ILE H H 8 8.354 8.354 8.463 -0.109 19617 7738 1 19 . 1 1 9 9 SER N N 9 121.319 121.319 122.503 -1.184 19617 7739 1 19 . 1 1 9 9 SER HA H 9 4.859 4.859 4.684 0.175 19617 7740 1 19 . 1 1 9 9 SER CA C 9 55.381 55.381 57.654 -2.273 19617 7741 1 19 . 1 1 9 9 SER CB C 9 64.243 64.243 63.690 0.553 19617 7742 1 19 . 1 1 9 9 SER H H 9 9.028 9.028 8.253 0.775 19617 7743 1 19 . 1 1 10 10 VAL N N 10 127.508 127.508 125.572 1.936 19617 7744 1 19 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.279 0.772 19617 7745 1 19 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.792 0.120 19617 7746 1 19 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.132 0.255 19617 7747 1 19 . 1 1 10 10 VAL H H 10 8.911 8.911 8.470 0.441 19617 7748 1 19 . 1 1 11 11 SER N N 11 121.861 121.861 125.229 -3.368 19617 7749 1 19 . 1 1 11 11 SER CB C 11 64.373 64.373 62.850 1.523 19617 7750 1 19 . 1 1 11 11 SER H H 11 9.205 9.205 8.571 0.634 19617 7751 1 19 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.318 0.392 19617 7752 1 19 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.228 -1.329 19617 7753 1 19 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.387 1.702 19617 7754 1 19 . 1 1 13 13 THR N N 13 116.138 116.138 115.583 0.555 19617 7755 1 19 . 1 1 13 13 THR HA H 13 4.766 4.766 4.310 0.456 19617 7756 1 19 . 1 1 13 13 THR CA C 13 60.153 60.153 60.187 -0.034 19617 7757 1 19 . 1 1 13 13 THR CB C 13 69.426 69.426 69.598 -0.172 19617 7758 1 19 . 1 1 13 13 THR H H 13 8.679 8.679 8.071 0.608 19617 7759 1 19 . 1 1 14 14 ASN N N 14 124.457 124.457 127.408 -2.951 19617 7760 1 19 . 1 1 14 14 ASN HA H 14 4.697 4.697 4.947 -0.250 19617 7761 1 19 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.047 0.081 19617 7762 1 19 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.872 -2.279 19617 7763 1 19 . 1 1 14 14 ASN H H 14 8.710 8.710 8.785 -0.075 19617 7764 1 19 . 1 1 15 15 SER N N 15 113.672 113.672 117.408 -3.736 19617 7765 1 19 . 1 1 15 15 SER HA H 15 4.651 4.651 4.486 0.165 19617 7766 1 19 . 1 1 15 15 SER CA C 15 55.644 55.644 57.728 -2.084 19617 7767 1 19 . 1 1 15 15 SER CB C 15 63.953 63.953 64.258 -0.305 19617 7768 1 19 . 1 1 15 15 SER H H 15 9.127 9.127 8.561 0.566 19617 7769 1 19 . 1 1 16 16 THR N N 16 113.578 113.578 116.030 -2.452 19617 7770 1 19 . 1 1 16 16 THR HA H 16 4.975 4.975 4.755 0.220 19617 7771 1 19 . 1 1 16 16 THR CA C 16 58.445 58.445 60.800 -2.355 19617 7772 1 19 . 1 1 16 16 THR CB C 16 70.534 70.534 69.568 0.966 19617 7773 1 19 . 1 1 16 16 THR H H 16 7.962 7.962 8.145 -0.183 19617 7774 1 19 . 1 1 17 17 VAL N N 17 121.480 121.480 119.071 2.409 19617 7775 1 19 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.638 -0.316 19617 7776 1 19 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.818 0.119 19617 7777 1 19 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.763 -0.359 19617 7778 1 19 . 1 1 17 17 VAL H H 17 7.969 7.969 9.112 -1.143 19617 7779 1 19 . 1 1 18 18 ALA N N 18 126.013 126.013 125.616 0.397 19617 7780 1 19 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.247 -0.072 19617 7781 1 19 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.994 -1.031 19617 7782 1 19 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.383 -0.461 19617 7783 1 19 . 1 1 18 18 ALA H H 18 7.756 7.756 8.368 -0.612 19617 7784 1 19 . 1 1 19 19 LYS N N 19 119.740 119.740 121.774 -2.034 19617 7785 1 19 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.991 -0.502 19617 7786 1 19 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.145 0.627 19617 7787 1 19 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.183 -0.581 19617 7788 1 19 . 1 1 19 19 LYS H H 19 7.892 7.892 8.286 -0.394 19617 7789 1 19 . 1 1 20 20 GLY N N 20 116.706 116.706 113.218 3.488 19617 7790 1 19 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.551 -1.788 19617 7791 1 19 . 1 1 20 20 GLY H H 20 8.615 8.615 8.436 0.179 19617 7792 1 19 . 1 1 21 21 LEU N N 21 123.004 123.004 125.264 -2.260 19617 7793 1 19 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.574 0.016 19617 7794 1 19 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.968 -1.603 19617 7795 1 19 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.583 -5.621 19617 7796 1 19 . 1 1 21 21 LEU H H 21 8.013 8.013 7.968 0.045 19617 7797 1 19 . 1 1 22 22 GLN N N 22 117.502 117.502 120.861 -3.359 19617 7798 1 19 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.052 0.074 19617 7799 1 19 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.391 -0.722 19617 7800 1 19 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.326 -0.412 19617 7801 1 19 . 1 1 22 22 GLN H H 22 8.223 8.223 8.446 -0.223 19617 7802 1 19 . 1 1 23 23 GLU N N 23 118.123 118.123 123.581 -5.458 19617 7803 1 19 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.631 -0.069 19617 7804 1 19 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.982 -2.115 19617 7805 1 19 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.968 -0.094 19617 7806 1 19 . 1 1 23 23 GLU H H 23 8.188 8.188 8.359 -0.171 19617 7807 1 19 . 1 1 24 24 ASN N N 24 125.843 125.843 122.182 3.661 19617 7808 1 19 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.762 0.015 19617 7809 1 19 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.287 -0.776 19617 7810 1 19 . 1 1 24 24 ASN CB C 24 39.746 39.746 38.775 0.971 19617 7811 1 19 . 1 1 24 24 ASN H H 24 9.391 9.391 8.576 0.815 19617 7812 1 19 . 1 1 25 25 PHE N N 25 122.822 122.822 120.255 2.567 19617 7813 1 19 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.474 0.176 19617 7814 1 19 . 1 1 25 25 PHE CA C 25 57.123 57.123 58.325 -1.202 19617 7815 1 19 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.499 -3.440 19617 7816 1 19 . 1 1 25 25 PHE H H 25 8.059 8.059 8.435 -0.376 19617 7817 1 19 . 1 1 26 26 LYS N N 26 119.114 119.114 123.316 -4.202 19617 7818 1 19 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.701 0.543 19617 7819 1 19 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.751 -1.775 19617 7820 1 19 . 1 1 26 26 LYS CB C 26 34.661 34.661 37.375 -2.714 19617 7821 1 19 . 1 1 26 26 LYS H H 26 9.255 9.255 8.545 0.710 19617 7822 1 19 . 1 1 27 27 ALA N N 27 125.586 125.586 124.385 1.201 19617 7823 1 19 . 1 1 27 27 ALA HA H 27 5.263 5.263 4.958 0.305 19617 7824 1 19 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.866 -2.049 19617 7825 1 19 . 1 1 27 27 ALA CB C 27 21.160 21.160 20.294 0.866 19617 7826 1 19 . 1 1 27 27 ALA H H 27 9.119 9.119 8.408 0.711 19617 7827 1 19 . 1 1 28 28 THR N N 28 120.628 120.628 118.383 2.245 19617 7828 1 19 . 1 1 28 28 THR HA H 28 4.843 4.843 4.464 0.379 19617 7829 1 19 . 1 1 28 28 THR CA C 28 60.566 60.566 60.981 -0.415 19617 7830 1 19 . 1 1 28 28 THR CB C 28 69.478 69.478 69.679 -0.201 19617 7831 1 19 . 1 1 28 28 THR H H 28 9.061 9.061 7.987 1.074 19617 7832 1 19 . 1 1 29 29 GLY N N 29 115.787 115.787 116.825 -1.038 19617 7833 1 19 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.415 -0.099 19617 7834 1 19 . 1 1 29 29 GLY H H 29 9.663 9.663 8.527 1.136 19617 7835 1 19 . 1 1 30 30 ILE N N 30 123.084 123.084 124.317 -1.233 19617 7836 1 19 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.521 0.260 19617 7837 1 19 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.964 -0.576 19617 7838 1 19 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.930 -5.047 19617 7839 1 19 . 1 1 30 30 ILE H H 30 7.914 7.914 8.551 -0.637 19617 7840 1 19 . 1 1 31 31 PHE N N 31 125.209 125.209 124.041 1.168 19617 7841 1 19 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.929 0.441 19617 7842 1 19 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.441 -0.954 19617 7843 1 19 . 1 1 31 31 PHE CB C 31 41.153 41.153 39.841 1.312 19617 7844 1 19 . 1 1 31 31 PHE H H 31 8.316 8.316 8.242 0.074 19617 7845 1 19 . 1 1 32 32 THR N N 32 113.843 113.843 117.757 -3.914 19617 7846 1 19 . 1 1 32 32 THR HA H 32 4.409 4.409 4.160 0.249 19617 7847 1 19 . 1 1 32 32 THR CA C 32 64.157 64.157 64.991 -0.834 19617 7848 1 19 . 1 1 32 32 THR CB C 32 68.540 68.540 68.675 -0.135 19617 7849 1 19 . 1 1 32 32 THR H H 32 9.335 9.335 9.000 0.335 19617 7850 1 19 . 1 1 33 33 ASP N N 33 118.799 118.799 120.618 -1.819 19617 7851 1 19 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.831 -0.209 19617 7852 1 19 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.201 -1.238 19617 7853 1 19 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.339 -2.845 19617 7854 1 19 . 1 1 33 33 ASP H H 33 7.689 7.689 8.289 -0.600 19617 7855 1 19 . 1 1 34 34 ASN N N 34 112.999 112.999 117.860 -4.861 19617 7856 1 19 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.795 -0.445 19617 7857 1 19 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.658 0.688 19617 7858 1 19 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.174 -3.684 19617 7859 1 19 . 1 1 34 34 ASN H H 34 8.370 8.370 7.753 0.617 19617 7860 1 19 . 1 1 35 35 SER N N 35 115.544 115.544 117.601 -2.057 19617 7861 1 19 . 1 1 35 35 SER HA H 35 4.410 4.410 4.384 0.026 19617 7862 1 19 . 1 1 35 35 SER CA C 35 57.882 57.882 60.082 -2.200 19617 7863 1 19 . 1 1 35 35 SER CB C 35 63.770 63.770 63.480 0.290 19617 7864 1 19 . 1 1 35 35 SER H H 35 7.990 7.990 8.506 -0.516 19617 7865 1 19 . 1 1 36 36 ASN N N 36 116.055 116.055 122.711 -6.656 19617 7866 1 19 . 1 1 36 36 ASN CA C 36 50.674 50.674 51.790 -1.116 19617 7867 1 19 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.242 -0.443 19617 7868 1 19 . 1 1 36 36 ASN H H 36 8.518 8.518 8.166 0.352 19617 7869 1 19 . 1 1 37 37 SER N N 37 113.193 113.193 115.271 -2.078 19617 7870 1 19 . 1 1 37 37 SER HA H 37 4.719 4.719 4.653 0.066 19617 7871 1 19 . 1 1 37 37 SER CA C 37 56.801 56.801 56.856 -0.055 19617 7872 1 19 . 1 1 37 37 SER CB C 37 64.872 64.872 65.707 -0.835 19617 7873 1 19 . 1 1 37 37 SER H H 37 8.667 8.667 8.599 0.068 19617 7874 1 19 . 1 1 38 38 ASP N N 38 123.964 123.964 120.839 3.125 19617 7875 1 19 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.642 0.340 19617 7876 1 19 . 1 1 38 38 ASP CA C 38 54.201 54.201 55.393 -1.192 19617 7877 1 19 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.447 -0.518 19617 7878 1 19 . 1 1 38 38 ASP H H 38 8.849 8.849 8.721 0.128 19617 7879 1 19 . 1 1 39 39 ILE N N 39 121.214 121.214 125.567 -4.353 19617 7880 1 19 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.347 0.529 19617 7881 1 19 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.602 -2.895 19617 7882 1 19 . 1 1 39 39 ILE CB C 39 37.086 37.086 39.499 -2.413 19617 7883 1 19 . 1 1 39 39 ILE H H 39 8.816 8.816 8.100 0.716 19617 7884 1 19 . 1 1 40 40 THR N N 40 122.861 122.861 117.227 5.634 19617 7885 1 19 . 1 1 40 40 THR HA H 40 4.289 4.289 4.207 0.082 19617 7886 1 19 . 1 1 40 40 THR CB C 40 68.527 68.527 68.624 -0.096 19617 7887 1 19 . 1 1 40 40 THR H H 40 8.679 8.679 8.164 0.515 19617 7888 1 19 . 1 1 41 41 ASP N N 41 114.076 114.076 119.512 -5.436 19617 7889 1 19 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.662 -0.965 19617 7890 1 19 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.760 -1.282 19617 7891 1 19 . 1 1 41 41 ASP CB C 41 38.718 38.718 41.313 -2.595 19617 7892 1 19 . 1 1 41 41 ASP H H 41 8.539 8.539 8.574 -0.035 19617 7893 1 19 . 1 1 42 42 GLN N N 42 117.086 117.086 117.309 -0.223 19617 7894 1 19 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.094 0.052 19617 7895 1 19 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.238 -0.702 19617 7896 1 19 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.968 2.248 19617 7897 1 19 . 1 1 42 42 GLN H H 42 7.718 7.718 8.045 -0.327 19617 7898 1 19 . 1 1 43 43 VAL N N 43 109.916 109.916 123.296 -13.380 19617 7899 1 19 . 1 1 43 43 VAL HA H 43 4.091 4.091 4.004 0.087 19617 7900 1 19 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.203 -3.364 19617 7901 1 19 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.981 -1.708 19617 7902 1 19 . 1 1 43 43 VAL H H 43 6.902 6.902 8.381 -1.479 19617 7903 1 19 . 1 1 44 44 THR N N 44 116.270 116.270 124.256 -7.986 19617 7904 1 19 . 1 1 44 44 THR HA H 44 4.311 4.311 4.311 0.000 19617 7905 1 19 . 1 1 44 44 THR CA C 44 61.651 61.651 61.646 0.005 19617 7906 1 19 . 1 1 44 44 THR CB C 44 68.890 68.890 67.863 1.027 19617 7907 1 19 . 1 1 44 44 THR H H 44 8.787 8.787 8.039 0.748 19617 7908 1 19 . 1 1 45 45 TRP N N 45 132.099 132.099 126.268 5.831 19617 7909 1 19 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.327 -0.081 19617 7910 1 19 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.789 0.598 19617 7911 1 19 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.585 -1.508 19617 7912 1 19 . 1 1 45 45 TRP H H 45 10.351 10.351 7.705 2.646 19617 7913 1 19 . 1 1 46 46 ASP N N 46 121.897 121.897 122.115 -0.218 19617 7914 1 19 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.092 -0.233 19617 7915 1 19 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.967 -1.170 19617 7916 1 19 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.817 -0.742 19617 7917 1 19 . 1 1 46 46 ASP H H 46 9.471 9.471 8.428 1.043 19617 7918 1 19 . 1 1 47 47 SER N N 47 113.805 113.805 116.527 -2.722 19617 7919 1 19 . 1 1 47 47 SER HA H 47 5.044 5.044 4.943 0.101 19617 7920 1 19 . 1 1 47 47 SER CA C 47 53.059 53.059 56.595 -3.536 19617 7921 1 19 . 1 1 47 47 SER CB C 47 64.880 64.880 64.818 0.062 19617 7922 1 19 . 1 1 47 47 SER H H 47 8.502 8.502 8.297 0.205 19617 7923 1 19 . 1 1 48 48 SER N N 48 119.614 119.614 117.980 1.634 19617 7924 1 19 . 1 1 48 48 SER HA H 48 4.281 4.281 4.311 -0.030 19617 7925 1 19 . 1 1 48 48 SER CA C 48 59.404 59.404 59.071 0.333 19617 7926 1 19 . 1 1 48 48 SER CB C 48 62.026 62.026 63.850 -1.824 19617 7927 1 19 . 1 1 48 48 SER H H 48 8.518 8.518 8.581 -0.063 19617 7928 1 19 . 1 1 49 49 ASN N N 49 118.260 118.260 119.649 -1.389 19617 7929 1 19 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.921 -0.026 19617 7930 1 19 . 1 1 49 49 ASN CA C 49 52.841 52.841 52.899 -0.058 19617 7931 1 19 . 1 1 49 49 ASN CB C 49 37.720 37.720 40.376 -2.656 19617 7932 1 19 . 1 1 49 49 ASN H H 49 7.816 7.816 8.662 -0.846 19617 7933 1 19 . 1 1 50 50 THR N N 50 119.289 119.289 115.963 3.326 19617 7934 1 19 . 1 1 50 50 THR HA H 50 4.567 4.567 4.419 0.148 19617 7935 1 19 . 1 1 50 50 THR CA C 50 62.137 62.137 62.784 -0.647 19617 7936 1 19 . 1 1 50 50 THR CB C 50 67.100 67.100 69.573 -2.473 19617 7937 1 19 . 1 1 50 50 THR H H 50 9.048 9.048 8.534 0.514 19617 7938 1 19 . 1 1 51 51 ASP N N 51 118.825 118.825 123.293 -4.468 19617 7939 1 19 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.818 -0.241 19617 7940 1 19 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.598 0.092 19617 7941 1 19 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.403 -2.745 19617 7942 1 19 . 1 1 51 51 ASP H H 51 8.251 8.251 8.473 -0.222 19617 7943 1 19 . 1 1 52 52 ILE N N 52 118.410 118.410 121.644 -3.234 19617 7944 1 19 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.366 -0.440 19617 7945 1 19 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.906 0.775 19617 7946 1 19 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.224 0.672 19617 7947 1 19 . 1 1 52 52 ILE H H 52 7.169 7.169 8.023 -0.854 19617 7948 1 19 . 1 1 53 53 LEU N N 53 120.129 120.129 127.244 -7.115 19617 7949 1 19 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.974 0.048 19617 7950 1 19 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.422 -0.141 19617 7951 1 19 . 1 1 53 53 LEU CB C 53 46.405 46.405 42.709 3.696 19617 7952 1 19 . 1 1 53 53 LEU H H 53 7.876 7.876 8.357 -0.481 19617 7953 1 19 . 1 1 54 54 SER N N 54 122.249 122.249 119.843 2.406 19617 7954 1 19 . 1 1 54 54 SER HA H 54 4.954 4.954 4.845 0.109 19617 7955 1 19 . 1 1 54 54 SER CA C 54 54.724 54.724 57.135 -2.411 19617 7956 1 19 . 1 1 54 54 SER CB C 54 64.417 64.417 66.368 -1.951 19617 7957 1 19 . 1 1 54 54 SER H H 54 8.650 8.650 8.823 -0.173 19617 7958 1 19 . 1 1 55 55 ILE N N 55 123.973 123.973 124.426 -0.453 19617 7959 1 19 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.947 -0.045 19617 7960 1 19 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.062 -1.194 19617 7961 1 19 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.707 -0.289 19617 7962 1 19 . 1 1 55 55 ILE H H 55 9.081 9.081 8.536 0.545 19617 7963 1 19 . 1 1 56 56 SER N N 56 119.541 119.541 125.452 -5.911 19617 7964 1 19 . 1 1 56 56 SER HA H 56 4.384 4.384 4.263 0.121 19617 7965 1 19 . 1 1 56 56 SER CA C 56 56.626 56.626 56.780 -0.154 19617 7966 1 19 . 1 1 56 56 SER CB C 56 63.106 63.106 65.180 -2.074 19617 7967 1 19 . 1 1 56 56 SER H H 56 7.905 7.905 8.914 -1.009 19617 7968 1 19 . 1 1 57 57 ASN N N 57 124.208 124.208 122.202 2.006 19617 7969 1 19 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.622 0.394 19617 7970 1 19 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.840 -0.371 19617 7971 1 19 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.404 0.686 19617 7972 1 19 . 1 1 57 57 ASN H H 57 8.945 8.945 7.563 1.382 19617 7973 1 19 . 1 1 58 58 ALA N N 58 124.301 124.301 122.446 1.855 19617 7974 1 19 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.532 -0.398 19617 7975 1 19 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.974 -0.687 19617 7976 1 19 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.694 -1.340 19617 7977 1 19 . 1 1 58 58 ALA H H 58 8.150 8.150 8.045 0.105 19617 7978 1 19 . 1 1 59 59 SER N N 59 113.293 113.293 115.205 -1.912 19617 7979 1 19 . 1 1 59 59 SER HA H 59 4.706 4.706 4.163 0.543 19617 7980 1 19 . 1 1 59 59 SER CA C 59 60.003 60.003 59.168 0.835 19617 7981 1 19 . 1 1 59 59 SER CB C 59 62.574 62.574 62.963 -0.389 19617 7982 1 19 . 1 1 59 59 SER H H 59 8.377 8.377 7.971 0.406 19617 7983 1 19 . 1 1 60 60 ASP N N 60 116.272 116.272 118.344 -2.072 19617 7984 1 19 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.671 0.000 19617 7985 1 19 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.222 -2.463 19617 7986 1 19 . 1 1 60 60 ASP CB C 60 39.712 39.712 39.918 -0.206 19617 7987 1 19 . 1 1 60 60 ASP H H 60 8.310 8.310 8.263 0.047 19617 7988 1 19 . 1 1 61 61 SER N N 61 112.651 112.651 110.021 2.630 19617 7989 1 19 . 1 1 61 61 SER HA H 61 4.630 4.630 4.436 0.194 19617 7990 1 19 . 1 1 61 61 SER CA C 61 56.180 56.180 58.705 -2.525 19617 7991 1 19 . 1 1 61 61 SER CB C 61 61.843 61.843 63.711 -1.868 19617 7992 1 19 . 1 1 61 61 SER H H 61 7.588 7.588 7.475 0.113 19617 7993 1 19 . 1 1 62 62 HIS N N 62 119.790 119.790 122.193 -2.403 19617 7994 1 19 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.790 -0.744 19617 7995 1 19 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.831 2.088 19617 7996 1 19 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.701 -3.176 19617 7997 1 19 . 1 1 62 62 HIS H H 62 8.030 8.030 7.775 0.255 19617 7998 1 19 . 1 1 63 63 GLY N N 63 113.297 113.297 111.411 1.886 19617 7999 1 19 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.855 -1.202 19617 8000 1 19 . 1 1 63 63 GLY H H 63 8.733 8.733 8.671 0.062 19617 8001 1 19 . 1 1 64 64 LEU N N 64 120.663 120.663 117.829 2.834 19617 8002 1 19 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.517 -0.131 19617 8003 1 19 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.130 -0.236 19617 8004 1 19 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.223 -2.760 19617 8005 1 19 . 1 1 64 64 LEU H H 64 7.680 7.680 7.694 -0.014 19617 8006 1 19 . 1 1 65 65 ALA N N 65 108.347 108.347 129.995 -21.648 19617 8007 1 19 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.837 0.565 19617 8008 1 19 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.520 -1.254 19617 8009 1 19 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.758 0.797 19617 8010 1 19 . 1 1 65 65 ALA H H 65 9.874 9.874 8.673 1.201 19617 8011 1 19 . 1 1 66 66 SER N N 66 115.950 115.950 120.698 -4.748 19617 8012 1 19 . 1 1 66 66 SER HA H 66 4.906 4.906 5.642 -0.736 19617 8013 1 19 . 1 1 66 66 SER CA C 66 56.645 56.645 55.866 0.779 19617 8014 1 19 . 1 1 66 66 SER CB C 66 63.823 63.823 64.915 -1.092 19617 8015 1 19 . 1 1 66 66 SER H H 66 8.938 8.938 8.854 0.084 19617 8016 1 19 . 1 1 67 67 THR N N 67 113.595 113.595 118.349 -4.754 19617 8017 1 19 . 1 1 67 67 THR HA H 67 4.649 4.649 4.917 -0.268 19617 8018 1 19 . 1 1 67 67 THR CA C 67 59.216 59.216 60.922 -1.706 19617 8019 1 19 . 1 1 67 67 THR CB C 67 69.006 69.006 71.580 -2.574 19617 8020 1 19 . 1 1 67 67 THR H H 67 8.257 8.257 8.153 0.104 19617 8021 1 19 . 1 1 68 68 LEU N N 68 124.152 124.152 127.568 -3.416 19617 8022 1 19 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.774 -0.412 19617 8023 1 19 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.854 0.258 19617 8024 1 19 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.071 -0.156 19617 8025 1 19 . 1 1 68 68 LEU H H 68 8.616 8.616 8.392 0.224 19617 8026 1 19 . 1 1 69 69 ASN N N 69 115.820 115.820 119.283 -3.463 19617 8027 1 19 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.907 -0.247 19617 8028 1 19 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.893 -0.437 19617 8029 1 19 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.195 1.111 19617 8030 1 19 . 1 1 69 69 ASN H H 69 7.965 7.965 7.765 0.200 19617 8031 1 19 . 1 1 70 70 GLN N N 70 114.562 114.562 119.389 -4.827 19617 8032 1 19 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.396 -0.470 19617 8033 1 19 . 1 1 70 70 GLN CA C 70 55.237 55.237 56.000 -0.763 19617 8034 1 19 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.386 0.621 19617 8035 1 19 . 1 1 70 70 GLN H H 70 8.287 8.287 8.637 -0.350 19617 8036 1 19 . 1 1 71 71 GLY N N 71 108.005 108.005 110.643 -2.638 19617 8037 1 19 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.716 -2.030 19617 8038 1 19 . 1 1 71 71 GLY H H 71 8.520 8.520 7.907 0.613 19617 8039 1 19 . 1 1 72 72 ASN N N 72 117.787 117.787 118.421 -0.634 19617 8040 1 19 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.994 0.479 19617 8041 1 19 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.183 -0.492 19617 8042 1 19 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.745 -1.849 19617 8043 1 19 . 1 1 72 72 ASN H H 72 8.420 8.420 8.214 0.206 19617 8044 1 19 . 1 1 73 73 VAL N N 73 115.846 115.846 114.770 1.076 19617 8045 1 19 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.657 -0.130 19617 8046 1 19 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.487 -1.512 19617 8047 1 19 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.702 -0.523 19617 8048 1 19 . 1 1 73 73 VAL H H 73 8.990 8.990 8.957 0.033 19617 8049 1 19 . 1 1 74 74 LYS N N 74 123.195 123.195 125.219 -2.024 19617 8050 1 19 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.726 0.428 19617 8051 1 19 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.790 -0.909 19617 8052 1 19 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.346 -0.749 19617 8053 1 19 . 1 1 74 74 LYS H H 74 8.715 8.715 8.469 0.246 19617 8054 1 19 . 1 1 75 75 VAL N N 75 129.521 129.521 125.464 4.057 19617 8055 1 19 . 1 1 75 75 VAL HA H 75 4.543 4.543 5.122 -0.579 19617 8056 1 19 . 1 1 75 75 VAL CA C 75 60.816 60.816 59.889 0.927 19617 8057 1 19 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.167 0.316 19617 8058 1 19 . 1 1 75 75 VAL H H 75 8.975 8.975 8.172 0.803 19617 8059 1 19 . 1 1 76 76 THR N N 76 120.544 120.544 123.622 -3.078 19617 8060 1 19 . 1 1 76 76 THR HA H 76 5.067 5.067 4.799 0.268 19617 8061 1 19 . 1 1 76 76 THR CA C 76 59.783 59.783 61.626 -1.843 19617 8062 1 19 . 1 1 76 76 THR CB C 76 70.733 70.733 71.103 -0.370 19617 8063 1 19 . 1 1 76 76 THR H H 76 8.650 8.650 8.094 0.556 19617 8064 1 19 . 1 1 77 77 ALA N N 77 126.453 126.453 128.982 -2.529 19617 8065 1 19 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.525 -1.145 19617 8066 1 19 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.028 -2.598 19617 8067 1 19 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.501 -1.957 19617 8068 1 19 . 1 1 77 77 ALA H H 77 8.674 8.674 8.391 0.283 19617 8069 1 19 . 1 1 78 78 SER N N 78 113.566 113.566 117.488 -3.922 19617 8070 1 19 . 1 1 78 78 SER HA H 78 5.377 5.377 4.802 0.575 19617 8071 1 19 . 1 1 78 78 SER CA C 78 56.077 56.077 58.395 -2.318 19617 8072 1 19 . 1 1 78 78 SER CB C 78 65.730 65.730 66.780 -1.050 19617 8073 1 19 . 1 1 78 78 SER H H 78 8.116 8.116 8.316 -0.200 19617 8074 1 19 . 1 1 79 79 ILE N N 79 121.070 121.070 124.578 -3.508 19617 8075 1 19 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.460 -0.312 19617 8076 1 19 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.879 1.245 19617 8077 1 19 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.045 -1.236 19617 8078 1 19 . 1 1 79 79 ILE H H 79 8.446 8.446 7.758 0.688 19617 8079 1 19 . 1 1 80 80 GLY N N 80 117.155 117.155 115.410 1.745 19617 8080 1 19 . 1 1 80 80 GLY CA C 80 46.006 46.006 45.564 0.442 19617 8081 1 19 . 1 1 80 80 GLY H H 80 8.899 8.899 8.379 0.520 19617 8082 1 19 . 1 1 81 81 GLY N N 81 110.715 110.715 111.956 -1.241 19617 8083 1 19 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.012 -0.634 19617 8084 1 19 . 1 1 81 81 GLY H H 81 8.742 8.742 8.416 0.326 19617 8085 1 19 . 1 1 82 82 ILE N N 82 124.113 124.113 121.844 2.269 19617 8086 1 19 . 1 1 82 82 ILE HA H 82 4.202 4.202 3.889 0.313 19617 8087 1 19 . 1 1 82 82 ILE CA C 82 59.033 59.033 62.151 -3.118 19617 8088 1 19 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.413 -1.636 19617 8089 1 19 . 1 1 82 82 ILE H H 82 8.188 8.188 8.246 -0.058 19617 8090 1 19 . 1 1 83 83 GLN N N 83 122.453 122.453 121.422 1.031 19617 8091 1 19 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.578 0.818 19617 8092 1 19 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.881 -0.861 19617 8093 1 19 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.253 0.262 19617 8094 1 19 . 1 1 83 83 GLN H H 83 8.423 8.423 8.134 0.289 19617 8095 1 19 . 1 1 84 84 GLY N N 84 111.436 111.436 107.333 4.103 19617 8096 1 19 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.182 -0.484 19617 8097 1 19 . 1 1 84 84 GLY H H 84 8.931 8.931 8.849 0.082 19617 8098 1 19 . 1 1 85 85 SER N N 85 113.877 113.877 116.619 -2.742 19617 8099 1 19 . 1 1 85 85 SER HA H 85 5.843 5.843 4.891 0.952 19617 8100 1 19 . 1 1 85 85 SER CA C 85 56.264 56.264 57.391 -1.127 19617 8101 1 19 . 1 1 85 85 SER CB C 85 66.946 66.946 66.451 0.495 19617 8102 1 19 . 1 1 85 85 SER H H 85 8.710 8.710 8.398 0.312 19617 8103 1 19 . 1 1 86 86 THR N N 86 115.389 115.389 116.876 -1.487 19617 8104 1 19 . 1 1 86 86 THR HA H 86 4.772 4.772 4.889 -0.117 19617 8105 1 19 . 1 1 86 86 THR CA C 86 60.313 60.313 60.883 -0.570 19617 8106 1 19 . 1 1 86 86 THR CB C 86 69.852 69.852 71.206 -1.354 19617 8107 1 19 . 1 1 86 86 THR H H 86 8.854 8.854 8.423 0.431 19617 8108 1 19 . 1 1 87 87 ASP N N 87 124.622 124.622 125.234 -0.612 19617 8109 1 19 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.926 0.512 19617 8110 1 19 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.241 0.555 19617 8111 1 19 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.010 -1.000 19617 8112 1 19 . 1 1 87 87 ASP H H 87 7.953 7.953 8.151 -0.198 19617 8113 1 19 . 1 1 88 88 PHE N N 88 123.577 123.577 124.482 -0.905 19617 8114 1 19 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.552 -0.619 19617 8115 1 19 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.393 0.575 19617 8116 1 19 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.648 -0.764 19617 8117 1 19 . 1 1 88 88 PHE H H 88 9.094 9.094 8.879 0.215 19617 8118 1 19 . 1 1 89 89 LYS N N 89 126.966 126.966 124.178 2.788 19617 8119 1 19 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.777 0.260 19617 8120 1 19 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.472 -1.583 19617 8121 1 19 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.937 -1.268 19617 8122 1 19 . 1 1 89 89 LYS H H 89 7.269 7.269 8.591 -1.322 19617 8123 1 19 . 1 1 90 90 VAL N N 90 126.146 126.146 128.458 -2.312 19617 8124 1 19 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.394 -0.386 19617 8125 1 19 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.527 0.020 19617 8126 1 19 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.088 -3.140 19617 8127 1 19 . 1 1 90 90 VAL H H 90 9.086 9.086 8.181 0.905 19617 8128 1 19 . 1 1 91 91 THR N N 91 120.506 120.506 119.455 1.051 19617 8129 1 19 . 1 1 91 91 THR HA H 91 4.568 4.568 4.823 -0.255 19617 8130 1 19 . 1 1 91 91 THR CA C 91 59.348 59.348 59.304 0.043 19617 8131 1 19 . 1 1 91 91 THR CB C 91 68.970 68.970 72.233 -3.263 19617 8132 1 19 . 1 1 91 91 THR H H 91 8.757 8.757 7.862 0.895 19617 8133 1 20 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.635 -0.364 19617 8134 1 20 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.157 -1.936 19617 8135 1 20 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.349 -0.933 19617 8136 1 20 . 1 1 3 3 ALA N N 3 123.801 123.801 121.835 1.966 19617 8137 1 20 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.471 -0.265 19617 8138 1 20 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.138 -0.743 19617 8139 1 20 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.075 -2.235 19617 8140 1 20 . 1 1 3 3 ALA H H 3 8.647 8.647 8.112 0.535 19617 8141 1 20 . 1 1 4 4 ALA N N 4 124.058 124.058 123.155 0.903 19617 8142 1 20 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.863 -0.184 19617 8143 1 20 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.387 -1.365 19617 8144 1 20 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.812 0.084 19617 8145 1 20 . 1 1 4 4 ALA H H 4 8.239 8.239 8.484 -0.245 19617 8146 1 20 . 1 1 5 5 LEU N N 5 124.019 124.019 125.496 -1.477 19617 8147 1 20 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.478 -1.106 19617 8148 1 20 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.495 -0.487 19617 8149 1 20 . 1 1 5 5 LEU CB C 5 41.242 41.242 43.821 -2.579 19617 8150 1 20 . 1 1 5 5 LEU H H 5 8.560 8.560 8.512 0.048 19617 8151 1 20 . 1 1 6 6 VAL N N 6 123.358 123.358 121.567 1.791 19617 8152 1 20 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.109 -0.008 19617 8153 1 20 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.498 -1.158 19617 8154 1 20 . 1 1 6 6 VAL CB C 6 32.948 32.948 32.390 0.558 19617 8155 1 20 . 1 1 6 6 VAL H H 6 9.119 9.119 8.238 0.881 19617 8156 1 20 . 1 1 7 7 SER N N 7 112.139 112.139 126.179 -14.040 19617 8157 1 20 . 1 1 7 7 SER HA H 7 4.445 4.445 4.795 -0.350 19617 8158 1 20 . 1 1 7 7 SER CA C 7 56.349 56.349 56.959 -0.610 19617 8159 1 20 . 1 1 7 7 SER CB C 7 64.361 64.361 65.125 -0.764 19617 8160 1 20 . 1 1 7 7 SER H H 7 7.680 7.680 8.794 -1.114 19617 8161 1 20 . 1 1 8 8 ILE N N 8 118.677 118.677 122.236 -3.559 19617 8162 1 20 . 1 1 8 8 ILE HA H 8 4.681 4.681 5.130 -0.449 19617 8163 1 20 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.322 -0.176 19617 8164 1 20 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.305 0.369 19617 8165 1 20 . 1 1 8 8 ILE H H 8 8.354 8.354 8.584 -0.230 19617 8166 1 20 . 1 1 9 9 SER N N 9 121.319 121.319 120.916 0.403 19617 8167 1 20 . 1 1 9 9 SER HA H 9 4.859 4.859 4.776 0.083 19617 8168 1 20 . 1 1 9 9 SER CA C 9 55.381 55.381 57.231 -1.851 19617 8169 1 20 . 1 1 9 9 SER CB C 9 64.243 64.243 64.380 -0.137 19617 8170 1 20 . 1 1 9 9 SER H H 9 9.028 9.028 8.187 0.841 19617 8171 1 20 . 1 1 10 10 VAL N N 10 127.508 127.508 126.294 1.214 19617 8172 1 20 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.847 0.204 19617 8173 1 20 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.143 0.769 19617 8174 1 20 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.752 -0.365 19617 8175 1 20 . 1 1 10 10 VAL H H 10 8.911 8.911 8.625 0.286 19617 8176 1 20 . 1 1 11 11 SER N N 11 121.861 121.861 124.862 -3.001 19617 8177 1 20 . 1 1 11 11 SER CB C 11 64.373 64.373 62.887 1.486 19617 8178 1 20 . 1 1 11 11 SER H H 11 9.205 9.205 8.474 0.731 19617 8179 1 20 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.512 0.198 19617 8180 1 20 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.669 -1.770 19617 8181 1 20 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.296 1.793 19617 8182 1 20 . 1 1 13 13 THR N N 13 116.138 116.138 118.168 -2.030 19617 8183 1 20 . 1 1 13 13 THR HA H 13 4.766 4.766 4.578 0.188 19617 8184 1 20 . 1 1 13 13 THR CA C 13 60.153 60.153 61.506 -1.353 19617 8185 1 20 . 1 1 13 13 THR CB C 13 69.426 69.426 70.520 -1.094 19617 8186 1 20 . 1 1 13 13 THR H H 13 8.679 8.679 8.375 0.304 19617 8187 1 20 . 1 1 14 14 ASN N N 14 124.457 124.457 124.430 0.027 19617 8188 1 20 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.135 -0.438 19617 8189 1 20 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.977 0.151 19617 8190 1 20 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.202 -2.609 19617 8191 1 20 . 1 1 14 14 ASN H H 14 8.710 8.710 8.852 -0.142 19617 8192 1 20 . 1 1 15 15 SER N N 15 113.672 113.672 117.462 -3.790 19617 8193 1 20 . 1 1 15 15 SER HA H 15 4.651 4.651 4.553 0.098 19617 8194 1 20 . 1 1 15 15 SER CA C 15 55.644 55.644 57.484 -1.840 19617 8195 1 20 . 1 1 15 15 SER CB C 15 63.953 63.953 64.565 -0.612 19617 8196 1 20 . 1 1 15 15 SER H H 15 9.127 9.127 8.936 0.191 19617 8197 1 20 . 1 1 16 16 THR N N 16 113.578 113.578 115.109 -1.531 19617 8198 1 20 . 1 1 16 16 THR HA H 16 4.975 4.975 4.468 0.507 19617 8199 1 20 . 1 1 16 16 THR CA C 16 58.445 58.445 61.078 -2.633 19617 8200 1 20 . 1 1 16 16 THR CB C 16 70.534 70.534 69.388 1.146 19617 8201 1 20 . 1 1 16 16 THR H H 16 7.962 7.962 8.080 -0.118 19617 8202 1 20 . 1 1 17 17 VAL N N 17 121.480 121.480 124.319 -2.839 19617 8203 1 20 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.272 0.050 19617 8204 1 20 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.983 -0.046 19617 8205 1 20 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.721 -0.317 19617 8206 1 20 . 1 1 17 17 VAL H H 17 7.969 7.969 8.473 -0.504 19617 8207 1 20 . 1 1 18 18 ALA N N 18 126.013 126.013 127.515 -1.502 19617 8208 1 20 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.458 -0.283 19617 8209 1 20 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.988 -1.025 19617 8210 1 20 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.578 -0.656 19617 8211 1 20 . 1 1 18 18 ALA H H 18 7.756 7.756 8.227 -0.471 19617 8212 1 20 . 1 1 19 19 LYS N N 19 119.740 119.740 124.734 -4.994 19617 8213 1 20 . 1 1 19 19 LYS HA H 19 3.489 3.489 3.923 -0.434 19617 8214 1 20 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.327 0.445 19617 8215 1 20 . 1 1 19 19 LYS CB C 19 31.602 31.602 33.023 -1.421 19617 8216 1 20 . 1 1 19 19 LYS H H 19 7.892 7.892 7.764 0.128 19617 8217 1 20 . 1 1 20 20 GLY N N 20 116.706 116.706 113.859 2.847 19617 8218 1 20 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.320 -1.557 19617 8219 1 20 . 1 1 20 20 GLY H H 20 8.615 8.615 8.396 0.219 19617 8220 1 20 . 1 1 21 21 LEU N N 21 123.004 123.004 122.917 0.087 19617 8221 1 20 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.512 0.078 19617 8222 1 20 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.394 -1.029 19617 8223 1 20 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.815 -4.853 19617 8224 1 20 . 1 1 21 21 LEU H H 21 8.013 8.013 7.773 0.240 19617 8225 1 20 . 1 1 22 22 GLN N N 22 117.502 117.502 117.902 -0.400 19617 8226 1 20 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.225 -0.099 19617 8227 1 20 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.551 -0.882 19617 8228 1 20 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.143 -0.229 19617 8229 1 20 . 1 1 22 22 GLN H H 22 8.223 8.223 8.477 -0.254 19617 8230 1 20 . 1 1 23 23 GLU N N 23 118.123 118.123 123.035 -4.912 19617 8231 1 20 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.756 -0.194 19617 8232 1 20 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.082 -2.215 19617 8233 1 20 . 1 1 23 23 GLU CB C 23 32.874 32.874 31.180 1.694 19617 8234 1 20 . 1 1 23 23 GLU H H 23 8.188 8.188 8.628 -0.440 19617 8235 1 20 . 1 1 24 24 ASN N N 24 125.843 125.843 121.129 4.714 19617 8236 1 20 . 1 1 24 24 ASN HA H 24 4.777 4.777 4.855 -0.078 19617 8237 1 20 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.507 0.004 19617 8238 1 20 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.617 0.129 19617 8239 1 20 . 1 1 24 24 ASN H H 24 9.391 9.391 8.596 0.795 19617 8240 1 20 . 1 1 25 25 PHE N N 25 122.822 122.822 117.297 5.525 19617 8241 1 20 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.785 -0.135 19617 8242 1 20 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.008 1.115 19617 8243 1 20 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.043 -1.984 19617 8244 1 20 . 1 1 25 25 PHE H H 25 8.059 8.059 7.984 0.075 19617 8245 1 20 . 1 1 26 26 LYS N N 26 119.114 119.114 119.317 -0.203 19617 8246 1 20 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.545 0.699 19617 8247 1 20 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.260 -3.284 19617 8248 1 20 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.715 -1.054 19617 8249 1 20 . 1 1 26 26 LYS H H 26 9.255 9.255 8.603 0.652 19617 8250 1 20 . 1 1 27 27 ALA N N 27 125.586 125.586 129.138 -3.552 19617 8251 1 20 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.286 -0.023 19617 8252 1 20 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.118 -2.301 19617 8253 1 20 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.257 -1.097 19617 8254 1 20 . 1 1 27 27 ALA H H 27 9.119 9.119 8.864 0.255 19617 8255 1 20 . 1 1 28 28 THR N N 28 120.628 120.628 116.224 4.404 19617 8256 1 20 . 1 1 28 28 THR HA H 28 4.843 4.843 4.563 0.280 19617 8257 1 20 . 1 1 28 28 THR CA C 28 60.566 60.566 60.646 -0.080 19617 8258 1 20 . 1 1 28 28 THR CB C 28 69.478 69.478 69.472 0.006 19617 8259 1 20 . 1 1 28 28 THR H H 28 9.061 9.061 7.934 1.127 19617 8260 1 20 . 1 1 29 29 GLY N N 29 115.787 115.787 114.403 1.384 19617 8261 1 20 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.191 0.125 19617 8262 1 20 . 1 1 29 29 GLY H H 29 9.663 9.663 8.257 1.406 19617 8263 1 20 . 1 1 30 30 ILE N N 30 123.084 123.084 125.481 -2.397 19617 8264 1 20 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.278 0.503 19617 8265 1 20 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.793 -0.405 19617 8266 1 20 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.354 -4.471 19617 8267 1 20 . 1 1 30 30 ILE H H 30 7.914 7.914 8.522 -0.608 19617 8268 1 20 . 1 1 31 31 PHE N N 31 125.209 125.209 120.998 4.211 19617 8269 1 20 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.218 0.151 19617 8270 1 20 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.401 1.086 19617 8271 1 20 . 1 1 31 31 PHE CB C 31 41.153 41.153 40.079 1.074 19617 8272 1 20 . 1 1 31 31 PHE H H 31 8.316 8.316 7.966 0.350 19617 8273 1 20 . 1 1 32 32 THR N N 32 113.843 113.843 117.665 -3.822 19617 8274 1 20 . 1 1 32 32 THR HA H 32 4.409 4.409 4.125 0.284 19617 8275 1 20 . 1 1 32 32 THR CA C 32 64.157 64.157 66.152 -1.995 19617 8276 1 20 . 1 1 32 32 THR CB C 32 68.540 68.540 68.761 -0.221 19617 8277 1 20 . 1 1 32 32 THR H H 32 9.335 9.335 8.876 0.459 19617 8278 1 20 . 1 1 33 33 ASP N N 33 118.799 118.799 117.984 0.815 19617 8279 1 20 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.588 0.034 19617 8280 1 20 . 1 1 33 33 ASP CA C 33 51.963 51.963 55.353 -3.390 19617 8281 1 20 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.135 -1.641 19617 8282 1 20 . 1 1 33 33 ASP H H 33 7.689 7.689 8.472 -0.783 19617 8283 1 20 . 1 1 34 34 ASN N N 34 112.999 112.999 117.324 -4.325 19617 8284 1 20 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.924 -0.574 19617 8285 1 20 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.452 0.894 19617 8286 1 20 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.958 -4.468 19617 8287 1 20 . 1 1 34 34 ASN H H 34 8.370 8.370 8.211 0.159 19617 8288 1 20 . 1 1 35 35 SER N N 35 115.544 115.544 114.316 1.228 19617 8289 1 20 . 1 1 35 35 SER HA H 35 4.410 4.410 4.652 -0.242 19617 8290 1 20 . 1 1 35 35 SER CA C 35 57.882 57.882 57.698 0.184 19617 8291 1 20 . 1 1 35 35 SER CB C 35 63.770 63.770 65.231 -1.461 19617 8292 1 20 . 1 1 35 35 SER H H 35 7.990 7.990 8.758 -0.768 19617 8293 1 20 . 1 1 36 36 ASN N N 36 116.055 116.055 118.949 -2.894 19617 8294 1 20 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.803 -2.129 19617 8295 1 20 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.459 2.340 19617 8296 1 20 . 1 1 36 36 ASN H H 36 8.518 8.518 8.396 0.122 19617 8297 1 20 . 1 1 37 37 SER N N 37 113.193 113.193 116.481 -3.288 19617 8298 1 20 . 1 1 37 37 SER HA H 37 4.719 4.719 4.638 0.081 19617 8299 1 20 . 1 1 37 37 SER CA C 37 56.801 56.801 57.100 -0.299 19617 8300 1 20 . 1 1 37 37 SER CB C 37 64.872 64.872 66.641 -1.768 19617 8301 1 20 . 1 1 37 37 SER H H 37 8.667 8.667 8.586 0.081 19617 8302 1 20 . 1 1 38 38 ASP N N 38 123.964 123.964 126.507 -2.543 19617 8303 1 20 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.824 0.158 19617 8304 1 20 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.721 0.480 19617 8305 1 20 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.548 -0.619 19617 8306 1 20 . 1 1 38 38 ASP H H 38 8.849 8.849 8.705 0.144 19617 8307 1 20 . 1 1 39 39 ILE N N 39 121.214 121.214 115.909 5.305 19617 8308 1 20 . 1 1 39 39 ILE HA H 39 4.876 4.876 3.816 1.060 19617 8309 1 20 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.900 -2.192 19617 8310 1 20 . 1 1 39 39 ILE CB C 39 37.086 37.086 36.250 0.836 19617 8311 1 20 . 1 1 39 39 ILE H H 39 8.816 8.816 8.343 0.473 19617 8312 1 20 . 1 1 40 40 THR N N 40 122.861 122.861 114.894 7.967 19617 8313 1 20 . 1 1 40 40 THR HA H 40 4.289 4.289 4.138 0.151 19617 8314 1 20 . 1 1 40 40 THR CB C 40 68.527 68.527 68.748 -0.221 19617 8315 1 20 . 1 1 40 40 THR H H 40 8.679 8.679 8.495 0.184 19617 8316 1 20 . 1 1 41 41 ASP N N 41 114.076 114.076 119.447 -5.371 19617 8317 1 20 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.737 -1.040 19617 8318 1 20 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.632 -0.153 19617 8319 1 20 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.730 -2.012 19617 8320 1 20 . 1 1 41 41 ASP H H 41 8.539 8.539 8.187 0.352 19617 8321 1 20 . 1 1 42 42 GLN N N 42 117.086 117.086 117.928 -0.842 19617 8322 1 20 . 1 1 42 42 GLN HA H 42 4.146 4.146 4.073 0.073 19617 8323 1 20 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.129 -0.593 19617 8324 1 20 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.498 2.718 19617 8325 1 20 . 1 1 42 42 GLN H H 42 7.718 7.718 7.564 0.154 19617 8326 1 20 . 1 1 43 43 VAL N N 43 109.916 109.916 121.267 -11.351 19617 8327 1 20 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.941 0.150 19617 8328 1 20 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.421 -4.581 19617 8329 1 20 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.702 -1.429 19617 8330 1 20 . 1 1 43 43 VAL H H 43 6.902 6.902 8.074 -1.172 19617 8331 1 20 . 1 1 44 44 THR N N 44 116.270 116.270 126.352 -10.082 19617 8332 1 20 . 1 1 44 44 THR HA H 44 4.311 4.311 4.295 0.016 19617 8333 1 20 . 1 1 44 44 THR CA C 44 61.651 61.651 63.342 -1.691 19617 8334 1 20 . 1 1 44 44 THR CB C 44 68.890 68.890 68.729 0.161 19617 8335 1 20 . 1 1 44 44 THR H H 44 8.787 8.787 8.028 0.759 19617 8336 1 20 . 1 1 45 45 TRP N N 45 132.099 132.099 127.827 4.272 19617 8337 1 20 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.390 -0.144 19617 8338 1 20 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.807 0.580 19617 8339 1 20 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.435 -1.358 19617 8340 1 20 . 1 1 45 45 TRP H H 45 10.351 10.351 7.671 2.680 19617 8341 1 20 . 1 1 46 46 ASP N N 46 121.897 121.897 121.179 0.718 19617 8342 1 20 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.020 -0.161 19617 8343 1 20 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.289 -0.492 19617 8344 1 20 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.575 0.500 19617 8345 1 20 . 1 1 46 46 ASP H H 46 9.471 9.471 8.759 0.712 19617 8346 1 20 . 1 1 47 47 SER N N 47 113.805 113.805 118.963 -5.158 19617 8347 1 20 . 1 1 47 47 SER HA H 47 5.044 5.044 4.984 0.060 19617 8348 1 20 . 1 1 47 47 SER CA C 47 53.059 53.059 56.969 -3.910 19617 8349 1 20 . 1 1 47 47 SER CB C 47 64.880 64.880 65.920 -1.040 19617 8350 1 20 . 1 1 47 47 SER H H 47 8.502 8.502 8.414 0.088 19617 8351 1 20 . 1 1 48 48 SER N N 48 119.614 119.614 117.555 2.059 19617 8352 1 20 . 1 1 48 48 SER HA H 48 4.281 4.281 4.246 0.035 19617 8353 1 20 . 1 1 48 48 SER CA C 48 59.404 59.404 59.373 0.031 19617 8354 1 20 . 1 1 48 48 SER CB C 48 62.026 62.026 64.137 -2.111 19617 8355 1 20 . 1 1 48 48 SER H H 48 8.518 8.518 8.415 0.103 19617 8356 1 20 . 1 1 49 49 ASN N N 49 118.260 118.260 119.397 -1.137 19617 8357 1 20 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.909 -0.014 19617 8358 1 20 . 1 1 49 49 ASN CA C 49 52.841 52.841 52.086 0.755 19617 8359 1 20 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.725 -1.005 19617 8360 1 20 . 1 1 49 49 ASN H H 49 7.816 7.816 8.653 -0.837 19617 8361 1 20 . 1 1 50 50 THR N N 50 119.289 119.289 115.269 4.020 19617 8362 1 20 . 1 1 50 50 THR HA H 50 4.567 4.567 4.196 0.371 19617 8363 1 20 . 1 1 50 50 THR CA C 50 62.137 62.137 64.604 -2.467 19617 8364 1 20 . 1 1 50 50 THR CB C 50 67.100 67.100 68.910 -1.810 19617 8365 1 20 . 1 1 50 50 THR H H 50 9.048 9.048 8.070 0.978 19617 8366 1 20 . 1 1 51 51 ASP N N 51 118.825 118.825 119.893 -1.068 19617 8367 1 20 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.724 -0.147 19617 8368 1 20 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.380 0.310 19617 8369 1 20 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.146 -2.488 19617 8370 1 20 . 1 1 51 51 ASP H H 51 8.251 8.251 8.540 -0.289 19617 8371 1 20 . 1 1 52 52 ILE N N 52 118.410 118.410 120.345 -1.935 19617 8372 1 20 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.397 -0.471 19617 8373 1 20 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.302 0.379 19617 8374 1 20 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.767 0.129 19617 8375 1 20 . 1 1 52 52 ILE H H 52 7.169 7.169 8.223 -1.054 19617 8376 1 20 . 1 1 53 53 LEU N N 53 120.129 120.129 129.506 -9.377 19617 8377 1 20 . 1 1 53 53 LEU HA H 53 5.022 5.022 5.114 -0.092 19617 8378 1 20 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.592 -1.311 19617 8379 1 20 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.771 1.634 19617 8380 1 20 . 1 1 53 53 LEU H H 53 7.876 7.876 8.305 -0.429 19617 8381 1 20 . 1 1 54 54 SER N N 54 122.249 122.249 119.430 2.819 19617 8382 1 20 . 1 1 54 54 SER HA H 54 4.954 4.954 4.935 0.019 19617 8383 1 20 . 1 1 54 54 SER CA C 54 54.724 54.724 57.861 -3.137 19617 8384 1 20 . 1 1 54 54 SER CB C 54 64.417 64.417 65.314 -0.897 19617 8385 1 20 . 1 1 54 54 SER H H 54 8.650 8.650 8.912 -0.262 19617 8386 1 20 . 1 1 55 55 ILE N N 55 123.973 123.973 126.209 -2.236 19617 8387 1 20 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.302 0.600 19617 8388 1 20 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.358 -1.490 19617 8389 1 20 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.063 0.354 19617 8390 1 20 . 1 1 55 55 ILE H H 55 9.081 9.081 8.804 0.277 19617 8391 1 20 . 1 1 56 56 SER N N 56 119.541 119.541 122.973 -3.432 19617 8392 1 20 . 1 1 56 56 SER HA H 56 4.384 4.384 4.656 -0.272 19617 8393 1 20 . 1 1 56 56 SER CA C 56 56.626 56.626 57.349 -0.723 19617 8394 1 20 . 1 1 56 56 SER CB C 56 63.106 63.106 63.952 -0.846 19617 8395 1 20 . 1 1 56 56 SER H H 56 7.905 7.905 8.064 -0.159 19617 8396 1 20 . 1 1 57 57 ASN N N 57 124.208 124.208 123.423 0.785 19617 8397 1 20 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.633 0.383 19617 8398 1 20 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.571 -0.102 19617 8399 1 20 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.975 1.115 19617 8400 1 20 . 1 1 57 57 ASN H H 57 8.945 8.945 7.815 1.130 19617 8401 1 20 . 1 1 58 58 ALA N N 58 124.301 124.301 122.272 2.029 19617 8402 1 20 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.692 -0.558 19617 8403 1 20 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.829 -1.542 19617 8404 1 20 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.841 -1.487 19617 8405 1 20 . 1 1 58 58 ALA H H 58 8.150 8.150 7.793 0.357 19617 8406 1 20 . 1 1 59 59 SER N N 59 113.293 113.293 115.042 -1.749 19617 8407 1 20 . 1 1 59 59 SER HA H 59 4.706 4.706 4.191 0.515 19617 8408 1 20 . 1 1 59 59 SER CA C 59 60.003 60.003 60.970 -0.967 19617 8409 1 20 . 1 1 59 59 SER CB C 59 62.574 62.574 63.221 -0.646 19617 8410 1 20 . 1 1 59 59 SER H H 59 8.377 8.377 8.349 0.028 19617 8411 1 20 . 1 1 60 60 ASP N N 60 116.272 116.272 114.222 2.050 19617 8412 1 20 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.676 -0.005 19617 8413 1 20 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.386 -0.627 19617 8414 1 20 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.594 -1.882 19617 8415 1 20 . 1 1 60 60 ASP H H 60 8.310 8.310 7.390 0.920 19617 8416 1 20 . 1 1 61 61 SER N N 61 112.651 112.651 115.190 -2.539 19617 8417 1 20 . 1 1 61 61 SER HA H 61 4.630 4.630 4.153 0.477 19617 8418 1 20 . 1 1 61 61 SER CA C 61 56.180 56.180 60.610 -4.430 19617 8419 1 20 . 1 1 61 61 SER CB C 61 61.843 61.843 63.583 -1.740 19617 8420 1 20 . 1 1 61 61 SER H H 61 7.588 7.588 8.412 -0.824 19617 8421 1 20 . 1 1 62 62 HIS N N 62 119.790 119.790 118.582 1.208 19617 8422 1 20 . 1 1 62 62 HIS HA H 62 4.046 4.046 3.979 0.067 19617 8423 1 20 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.241 1.678 19617 8424 1 20 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.506 -2.982 19617 8425 1 20 . 1 1 62 62 HIS H H 62 8.030 8.030 7.783 0.247 19617 8426 1 20 . 1 1 63 63 GLY N N 63 113.297 113.297 108.667 4.630 19617 8427 1 20 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.381 0.272 19617 8428 1 20 . 1 1 63 63 GLY H H 63 8.733 8.733 7.061 1.672 19617 8429 1 20 . 1 1 64 64 LEU N N 64 120.663 120.663 112.965 7.698 19617 8430 1 20 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.708 -0.322 19617 8431 1 20 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.144 -0.251 19617 8432 1 20 . 1 1 64 64 LEU CB C 64 41.463 41.463 42.747 -1.284 19617 8433 1 20 . 1 1 64 64 LEU H H 64 7.680 7.680 8.037 -0.357 19617 8434 1 20 . 1 1 65 65 ALA N N 65 108.347 108.347 125.754 -17.407 19617 8435 1 20 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.464 0.938 19617 8436 1 20 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.358 -2.091 19617 8437 1 20 . 1 1 65 65 ALA CB C 65 21.555 21.555 19.317 2.238 19617 8438 1 20 . 1 1 65 65 ALA H H 65 9.874 9.874 8.602 1.272 19617 8439 1 20 . 1 1 66 66 SER N N 66 115.950 115.950 120.265 -4.315 19617 8440 1 20 . 1 1 66 66 SER HA H 66 4.906 4.906 5.667 -0.761 19617 8441 1 20 . 1 1 66 66 SER CA C 66 56.645 56.645 56.665 -0.020 19617 8442 1 20 . 1 1 66 66 SER CB C 66 63.823 63.823 64.946 -1.123 19617 8443 1 20 . 1 1 66 66 SER H H 66 8.938 8.938 8.721 0.217 19617 8444 1 20 . 1 1 67 67 THR N N 67 113.595 113.595 121.939 -8.344 19617 8445 1 20 . 1 1 67 67 THR HA H 67 4.649 4.649 4.889 -0.240 19617 8446 1 20 . 1 1 67 67 THR CA C 67 59.216 59.216 61.437 -2.221 19617 8447 1 20 . 1 1 67 67 THR CB C 67 69.006 69.006 71.267 -2.261 19617 8448 1 20 . 1 1 67 67 THR H H 67 8.257 8.257 8.248 0.009 19617 8449 1 20 . 1 1 68 68 LEU N N 68 124.152 124.152 129.265 -5.113 19617 8450 1 20 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.773 -0.411 19617 8451 1 20 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.201 0.911 19617 8452 1 20 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.093 0.822 19617 8453 1 20 . 1 1 68 68 LEU H H 68 8.616 8.616 8.313 0.303 19617 8454 1 20 . 1 1 69 69 ASN N N 69 115.820 115.820 119.270 -3.450 19617 8455 1 20 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.910 -0.250 19617 8456 1 20 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.811 -0.355 19617 8457 1 20 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.477 1.829 19617 8458 1 20 . 1 1 69 69 ASN H H 69 7.965 7.965 7.842 0.123 19617 8459 1 20 . 1 1 70 70 GLN N N 70 114.562 114.562 119.064 -4.502 19617 8460 1 20 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.709 -0.783 19617 8461 1 20 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.869 -0.632 19617 8462 1 20 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.617 0.389 19617 8463 1 20 . 1 1 70 70 GLN H H 70 8.287 8.287 8.618 -0.331 19617 8464 1 20 . 1 1 71 71 GLY N N 71 108.005 108.005 109.630 -1.625 19617 8465 1 20 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.065 -1.379 19617 8466 1 20 . 1 1 71 71 GLY H H 71 8.520 8.520 7.813 0.707 19617 8467 1 20 . 1 1 72 72 ASN N N 72 117.787 117.787 118.789 -1.002 19617 8468 1 20 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.872 0.601 19617 8469 1 20 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.293 -0.602 19617 8470 1 20 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.809 -1.913 19617 8471 1 20 . 1 1 72 72 ASN H H 72 8.420 8.420 8.052 0.368 19617 8472 1 20 . 1 1 73 73 VAL N N 73 115.846 115.846 117.711 -1.865 19617 8473 1 20 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.374 0.153 19617 8474 1 20 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.395 -2.420 19617 8475 1 20 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.417 -1.238 19617 8476 1 20 . 1 1 73 73 VAL H H 73 8.990 8.990 9.025 -0.035 19617 8477 1 20 . 1 1 74 74 LYS N N 74 123.195 123.195 126.829 -3.634 19617 8478 1 20 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.629 0.525 19617 8479 1 20 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.767 -0.885 19617 8480 1 20 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.007 -0.410 19617 8481 1 20 . 1 1 74 74 LYS H H 74 8.715 8.715 8.606 0.109 19617 8482 1 20 . 1 1 75 75 VAL N N 75 129.521 129.521 128.614 0.907 19617 8483 1 20 . 1 1 75 75 VAL HA H 75 4.543 4.543 5.224 -0.681 19617 8484 1 20 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.682 0.134 19617 8485 1 20 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.827 -0.343 19617 8486 1 20 . 1 1 75 75 VAL H H 75 8.975 8.975 7.973 1.002 19617 8487 1 20 . 1 1 76 76 THR N N 76 120.544 120.544 120.285 0.259 19617 8488 1 20 . 1 1 76 76 THR HA H 76 5.067 5.067 4.752 0.315 19617 8489 1 20 . 1 1 76 76 THR CA C 76 59.783 59.783 60.507 -0.724 19617 8490 1 20 . 1 1 76 76 THR CB C 76 70.733 70.733 71.649 -0.916 19617 8491 1 20 . 1 1 76 76 THR H H 76 8.650 8.650 8.571 0.079 19617 8492 1 20 . 1 1 77 77 ALA N N 77 126.453 126.453 125.753 0.700 19617 8493 1 20 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.445 -1.065 19617 8494 1 20 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.054 -2.624 19617 8495 1 20 . 1 1 77 77 ALA CB C 77 20.544 20.544 23.125 -2.581 19617 8496 1 20 . 1 1 77 77 ALA H H 77 8.674 8.674 8.326 0.348 19617 8497 1 20 . 1 1 78 78 SER N N 78 113.566 113.566 115.944 -2.378 19617 8498 1 20 . 1 1 78 78 SER HA H 78 5.377 5.377 4.935 0.442 19617 8499 1 20 . 1 1 78 78 SER CA C 78 56.077 56.077 56.933 -0.856 19617 8500 1 20 . 1 1 78 78 SER CB C 78 65.730 65.730 65.574 0.156 19617 8501 1 20 . 1 1 78 78 SER H H 78 8.116 8.116 8.367 -0.251 19617 8502 1 20 . 1 1 79 79 ILE N N 79 121.070 121.070 125.710 -4.640 19617 8503 1 20 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.549 -0.401 19617 8504 1 20 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.305 0.819 19617 8505 1 20 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.131 -1.322 19617 8506 1 20 . 1 1 79 79 ILE H H 79 8.446 8.446 8.752 -0.306 19617 8507 1 20 . 1 1 80 80 GLY N N 80 117.155 117.155 117.261 -0.106 19617 8508 1 20 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.024 -0.018 19617 8509 1 20 . 1 1 80 80 GLY H H 80 8.899 8.899 8.771 0.128 19617 8510 1 20 . 1 1 81 81 GLY N N 81 110.715 110.715 110.152 0.563 19617 8511 1 20 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.864 -0.486 19617 8512 1 20 . 1 1 81 81 GLY H H 81 8.742 8.742 8.625 0.117 19617 8513 1 20 . 1 1 82 82 ILE N N 82 124.113 124.113 119.447 4.666 19617 8514 1 20 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.393 -0.191 19617 8515 1 20 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.796 -0.763 19617 8516 1 20 . 1 1 82 82 ILE CB C 82 36.777 36.777 42.178 -5.401 19617 8517 1 20 . 1 1 82 82 ILE H H 82 8.188 8.188 7.408 0.780 19617 8518 1 20 . 1 1 83 83 GLN N N 83 122.453 122.453 122.007 0.446 19617 8519 1 20 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.620 0.776 19617 8520 1 20 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.399 -1.379 19617 8521 1 20 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.843 -0.328 19617 8522 1 20 . 1 1 83 83 GLN H H 83 8.423 8.423 8.392 0.031 19617 8523 1 20 . 1 1 84 84 GLY N N 84 111.436 111.436 107.938 3.498 19617 8524 1 20 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.723 -0.025 19617 8525 1 20 . 1 1 84 84 GLY H H 84 8.931 8.931 9.002 -0.071 19617 8526 1 20 . 1 1 85 85 SER N N 85 113.877 113.877 114.111 -0.234 19617 8527 1 20 . 1 1 85 85 SER HA H 85 5.843 5.843 4.952 0.891 19617 8528 1 20 . 1 1 85 85 SER CA C 85 56.264 56.264 57.246 -0.982 19617 8529 1 20 . 1 1 85 85 SER CB C 85 66.946 66.946 66.264 0.682 19617 8530 1 20 . 1 1 85 85 SER H H 85 8.710 8.710 8.123 0.587 19617 8531 1 20 . 1 1 86 86 THR N N 86 115.389 115.389 116.665 -1.276 19617 8532 1 20 . 1 1 86 86 THR HA H 86 4.772 4.772 4.672 0.100 19617 8533 1 20 . 1 1 86 86 THR CA C 86 60.313 60.313 60.636 -0.323 19617 8534 1 20 . 1 1 86 86 THR CB C 86 69.852 69.852 71.081 -1.229 19617 8535 1 20 . 1 1 86 86 THR H H 86 8.854 8.854 8.427 0.427 19617 8536 1 20 . 1 1 87 87 ASP N N 87 124.622 124.622 126.128 -1.506 19617 8537 1 20 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.976 0.462 19617 8538 1 20 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.285 0.512 19617 8539 1 20 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.842 -0.832 19617 8540 1 20 . 1 1 87 87 ASP H H 87 7.953 7.953 8.393 -0.440 19617 8541 1 20 . 1 1 88 88 PHE N N 88 123.577 123.577 124.716 -1.139 19617 8542 1 20 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.551 -0.618 19617 8543 1 20 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.915 1.053 19617 8544 1 20 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.643 -0.759 19617 8545 1 20 . 1 1 88 88 PHE H H 88 9.094 9.094 8.545 0.549 19617 8546 1 20 . 1 1 89 89 LYS N N 89 126.966 126.966 124.310 2.656 19617 8547 1 20 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.691 0.346 19617 8548 1 20 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.124 -1.235 19617 8549 1 20 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.302 -0.633 19617 8550 1 20 . 1 1 89 89 LYS H H 89 7.269 7.269 8.180 -0.911 19617 8551 1 20 . 1 1 90 90 VAL N N 90 126.146 126.146 123.792 2.354 19617 8552 1 20 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.330 -0.322 19617 8553 1 20 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.366 -0.819 19617 8554 1 20 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.391 -1.443 19617 8555 1 20 . 1 1 90 90 VAL H H 90 9.086 9.086 8.047 1.039 19617 8556 1 20 . 1 1 91 91 THR N N 91 120.506 120.506 118.283 2.223 19617 8557 1 20 . 1 1 91 91 THR HA H 91 4.568 4.568 4.664 -0.096 19617 8558 1 20 . 1 1 91 91 THR CA C 91 59.348 59.348 60.021 -0.673 19617 8559 1 20 . 1 1 91 91 THR CB C 91 68.970 68.970 71.667 -2.697 19617 8560 1 20 . 1 1 91 91 THR H H 91 8.757 8.757 7.972 0.785 19617 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 88 4.386 1.071 4.278 19617 2 1 1 "Average Difference" HA 94 0.470 -0.007 0.473 19617 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19617 4 1 1 "Average Difference" CA 88 1.518 0.870 1.251 19617 5 1 1 "Average Difference" CB 83 1.730 0.844 1.519 19617 6 1 1 "Average Difference" HN 88 0.661 -0.206 0.632 19617 7 1 2 "Average Difference" N 88 3.772 0.592 3.747 19617 8 1 2 "Average Difference" HA 94 0.449 0.006 0.452 19617 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19617 10 1 2 "Average Difference" CA 88 1.496 0.817 1.261 19617 11 1 2 "Average Difference" CB 83 1.506 0.688 1.347 19617 12 1 2 "Average Difference" HN 88 0.617 -0.172 0.596 19617 13 1 3 "Average Difference" N 88 3.835 0.823 3.767 19617 14 1 3 "Average Difference" HA 94 0.417 -0.004 0.420 19617 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19617 16 1 3 "Average Difference" CA 88 1.580 0.908 1.300 19617 17 1 3 "Average Difference" CB 83 1.583 0.783 1.384 19617 18 1 3 "Average Difference" HN 88 0.614 -0.178 0.591 19617 19 1 4 "Average Difference" N 88 3.856 1.103 3.716 19617 20 1 4 "Average Difference" HA 94 0.418 -0.035 0.419 19617 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19617 22 1 4 "Average Difference" CA 88 1.488 0.846 1.231 19617 23 1 4 "Average Difference" CB 83 1.532 0.666 1.388 19617 24 1 4 "Average Difference" HN 88 0.634 -0.189 0.608 19617 25 1 5 "Average Difference" N 88 3.862 0.712 3.817 19617 26 1 5 "Average Difference" HA 94 0.440 0.002 0.442 19617 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19617 28 1 5 "Average Difference" CA 88 1.384 0.780 1.150 19617 29 1 5 "Average Difference" CB 83 1.646 0.686 1.505 19617 30 1 5 "Average Difference" HN 88 0.609 -0.185 0.583 19617 31 1 6 "Average Difference" N 88 4.009 0.903 3.928 19617 32 1 6 "Average Difference" HA 94 0.445 0.011 0.447 19617 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19617 34 1 6 "Average Difference" CA 88 1.533 0.895 1.252 19617 35 1 6 "Average Difference" CB 83 1.596 0.786 1.398 19617 36 1 6 "Average Difference" HN 88 0.607 -0.142 0.593 19617 37 1 7 "Average Difference" N 88 4.075 0.931 3.990 19617 38 1 7 "Average Difference" HA 94 0.431 -0.009 0.434 19617 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19617 40 1 7 "Average Difference" CA 88 1.269 0.789 1.000 19617 41 1 7 "Average Difference" CB 83 1.613 0.696 1.464 19617 42 1 7 "Average Difference" HN 88 0.569 -0.194 0.538 19617 43 1 8 "Average Difference" N 88 3.764 0.630 3.732 19617 44 1 8 "Average Difference" HA 94 0.490 0.026 0.492 19617 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19617 46 1 8 "Average Difference" CA 88 1.498 0.834 1.251 19617 47 1 8 "Average Difference" CB 83 1.684 0.746 1.519 19617 48 1 8 "Average Difference" HN 88 0.584 -0.149 0.568 19617 49 1 9 "Average Difference" N 88 4.216 0.975 4.125 19617 50 1 9 "Average Difference" HA 94 0.415 0.008 0.417 19617 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19617 52 1 9 "Average Difference" CA 88 1.426 0.898 1.114 19617 53 1 9 "Average Difference" CB 83 1.523 0.721 1.350 19617 54 1 9 "Average Difference" HN 88 0.611 -0.165 0.591 19617 55 1 10 "Average Difference" N 88 3.472 0.640 3.432 19617 56 1 10 "Average Difference" HA 94 0.450 -0.013 0.453 19617 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19617 58 1 10 "Average Difference" CA 88 1.403 0.827 1.139 19617 59 1 10 "Average Difference" CB 83 1.524 0.774 1.321 19617 60 1 10 "Average Difference" HN 88 0.635 -0.193 0.609 19617 61 1 11 "Average Difference" N 88 3.973 0.778 3.919 19617 62 1 11 "Average Difference" HA 94 0.431 -0.009 0.434 19617 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19617 64 1 11 "Average Difference" CA 88 1.520 0.894 1.237 19617 65 1 11 "Average Difference" CB 83 1.566 0.725 1.397 19617 66 1 11 "Average Difference" HN 88 0.555 -0.168 0.532 19617 67 1 12 "Average Difference" N 88 3.681 0.543 3.661 19617 68 1 12 "Average Difference" HA 94 0.438 -0.012 0.440 19617 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19617 70 1 12 "Average Difference" CA 88 1.506 0.916 1.203 19617 71 1 12 "Average Difference" CB 83 1.545 0.671 1.400 19617 72 1 12 "Average Difference" HN 88 0.592 -0.160 0.573 19617 73 1 13 "Average Difference" N 88 4.104 1.093 3.979 19617 74 1 13 "Average Difference" HA 94 0.452 -0.020 0.454 19617 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19617 76 1 13 "Average Difference" CA 88 1.494 0.933 1.173 19617 77 1 13 "Average Difference" CB 83 1.646 0.571 1.554 19617 78 1 13 "Average Difference" HN 88 0.608 -0.193 0.580 19617 79 1 14 "Average Difference" N 88 4.023 1.044 3.908 19617 80 1 14 "Average Difference" HA 94 0.447 0.015 0.449 19617 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19617 82 1 14 "Average Difference" CA 88 1.563 0.926 1.267 19617 83 1 14 "Average Difference" CB 83 1.555 0.670 1.412 19617 84 1 14 "Average Difference" HN 88 0.620 -0.175 0.599 19617 85 1 15 "Average Difference" N 88 3.848 0.844 3.776 19617 86 1 15 "Average Difference" HA 94 0.475 0.040 0.476 19617 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19617 88 1 15 "Average Difference" CA 88 1.531 0.793 1.317 19617 89 1 15 "Average Difference" CB 83 1.686 0.885 1.444 19617 90 1 15 "Average Difference" HN 88 0.623 -0.184 0.599 19617 91 1 16 "Average Difference" N 88 4.021 0.766 3.970 19617 92 1 16 "Average Difference" HA 94 0.433 0.002 0.435 19617 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19617 94 1 16 "Average Difference" CA 88 1.449 0.869 1.166 19617 95 1 16 "Average Difference" CB 83 1.676 0.843 1.457 19617 96 1 16 "Average Difference" HN 88 0.593 -0.184 0.567 19617 97 1 17 "Average Difference" N 88 3.659 0.643 3.623 19617 98 1 17 "Average Difference" HA 94 0.461 0.021 0.463 19617 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19617 100 1 17 "Average Difference" CA 88 1.444 0.835 1.185 19617 101 1 17 "Average Difference" CB 83 1.608 0.840 1.380 19617 102 1 17 "Average Difference" HN 88 0.598 -0.190 0.570 19617 103 1 18 "Average Difference" N 88 4.294 1.022 4.194 19617 104 1 18 "Average Difference" HA 94 0.425 -0.002 0.428 19617 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19617 106 1 18 "Average Difference" CA 88 1.461 0.844 1.199 19617 107 1 18 "Average Difference" CB 83 1.606 0.594 1.501 19617 108 1 18 "Average Difference" HN 88 0.699 -0.235 0.662 19617 109 1 19 "Average Difference" N 88 4.350 1.467 4.119 19617 110 1 19 "Average Difference" HA 94 0.442 -0.001 0.445 19617 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19617 112 1 19 "Average Difference" CA 88 1.415 0.865 1.126 19617 113 1 19 "Average Difference" CB 83 1.833 0.817 1.651 19617 114 1 19 "Average Difference" HN 88 0.647 -0.183 0.624 19617 115 1 20 "Average Difference" N 88 4.373 1.029 4.275 19617 116 1 20 "Average Difference" HA 94 0.472 0.041 0.473 19617 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19617 118 1 20 "Average Difference" CA 88 1.531 0.864 1.271 19617 119 1 20 "Average Difference" CB 83 1.733 0.771 1.562 19617 120 1 20 "Average Difference" HN 88 0.660 -0.190 0.635 19617 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 19617 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.271 4.271 4.634 -0.363 19617 2 1 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.975 -1.754 19617 3 1 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.581 -1.165 19617 4 1 . 1 1 3 3 ALA N N 3 123.801 123.801 122.518 1.283 19617 5 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.308 -0.102 19617 6 1 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.027 -0.632 19617 7 1 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.993 -1.153 19617 8 1 . 1 1 3 3 ALA H H 3 8.647 8.647 8.265 0.382 19617 9 1 . 1 1 4 4 ALA N N 4 124.058 124.058 123.439 0.619 19617 10 1 . 1 1 4 4 ALA HA H 4 4.679 4.679 4.517 0.162 19617 11 1 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.556 -1.534 19617 12 1 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.623 0.274 19617 13 1 . 1 1 4 4 ALA H H 4 8.239 8.239 8.220 0.019 19617 14 1 . 1 1 5 5 LEU N N 5 124.019 124.019 123.181 0.838 19617 15 1 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.070 -0.698 19617 16 1 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.402 -0.394 19617 17 1 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.265 -1.023 19617 18 1 . 1 1 5 5 LEU H H 5 8.560 8.560 8.320 0.240 19617 19 1 . 1 1 6 6 VAL N N 6 123.358 123.358 120.456 2.902 19617 20 1 . 1 1 6 6 VAL HA H 6 4.101 4.101 4.144 -0.043 19617 21 1 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.860 -0.520 19617 22 1 . 1 1 6 6 VAL CB C 6 32.948 32.948 32.670 0.278 19617 23 1 . 1 1 6 6 VAL H H 6 9.119 9.119 8.291 0.828 19617 24 1 . 1 1 7 7 SER N N 7 112.139 112.139 115.424 -3.285 19617 25 1 . 1 1 7 7 SER HA H 7 4.445 4.445 4.741 -0.296 19617 26 1 . 1 1 7 7 SER CA C 7 56.349 56.349 58.083 -1.734 19617 27 1 . 1 1 7 7 SER CB C 7 64.361 64.361 64.888 -0.527 19617 28 1 . 1 1 7 7 SER H H 7 7.680 7.680 7.956 -0.276 19617 29 1 . 1 1 8 8 ILE N N 8 118.677 118.677 121.395 -2.718 19617 30 1 . 1 1 8 8 ILE HA H 8 4.681 4.681 4.689 -0.008 19617 31 1 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.655 -0.509 19617 32 1 . 1 1 8 8 ILE CB C 8 41.674 41.674 41.674 -0.000 19617 33 1 . 1 1 8 8 ILE H H 8 8.354 8.354 8.405 -0.051 19617 34 1 . 1 1 9 9 SER N N 9 121.319 121.319 121.211 0.108 19617 35 1 . 1 1 9 9 SER HA H 9 4.859 4.859 4.775 0.084 19617 36 1 . 1 1 9 9 SER CA C 9 55.381 55.381 57.301 -1.920 19617 37 1 . 1 1 9 9 SER CB C 9 64.243 64.243 64.004 0.239 19617 38 1 . 1 1 9 9 SER H H 9 9.028 9.028 8.395 0.633 19617 39 1 . 1 1 10 10 VAL N N 10 127.508 127.508 125.916 1.592 19617 40 1 . 1 1 10 10 VAL HA H 10 5.051 5.051 4.586 0.465 19617 41 1 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.654 0.258 19617 42 1 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.615 -0.228 19617 43 1 . 1 1 10 10 VAL H H 10 8.911 8.911 8.541 0.370 19617 44 1 . 1 1 11 11 SER N N 11 121.861 121.861 124.319 -2.458 19617 45 1 . 1 1 11 11 SER CB C 11 64.373 64.373 63.008 1.365 19617 46 1 . 1 1 11 11 SER H H 11 9.205 9.205 8.437 0.767 19617 47 1 . 1 1 12 12 PRO HA H 12 4.710 4.710 4.407 0.303 19617 48 1 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.493 -1.594 19617 49 1 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.241 1.848 19617 50 1 . 1 1 13 13 THR N N 13 116.138 116.138 116.162 -0.024 19617 51 1 . 1 1 13 13 THR HA H 13 4.766 4.766 4.457 0.309 19617 52 1 . 1 1 13 13 THR CA C 13 60.153 60.153 60.896 -0.743 19617 53 1 . 1 1 13 13 THR CB C 13 69.426 69.426 70.127 -0.701 19617 54 1 . 1 1 13 13 THR H H 13 8.679 8.679 8.189 0.490 19617 55 1 . 1 1 14 14 ASN N N 14 124.457 124.457 125.504 -1.047 19617 56 1 . 1 1 14 14 ASN HA H 14 4.697 4.697 5.038 -0.341 19617 57 1 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.884 0.244 19617 58 1 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.949 -2.356 19617 59 1 . 1 1 14 14 ASN H H 14 8.710 8.710 8.810 -0.100 19617 60 1 . 1 1 15 15 SER N N 15 113.672 113.672 117.823 -4.151 19617 61 1 . 1 1 15 15 SER HA H 15 4.651 4.651 4.679 -0.028 19617 62 1 . 1 1 15 15 SER CA C 15 55.644 55.644 57.370 -1.726 19617 63 1 . 1 1 15 15 SER CB C 15 63.953 63.953 64.811 -0.858 19617 64 1 . 1 1 15 15 SER H H 15 9.127 9.127 8.525 0.602 19617 65 1 . 1 1 16 16 THR N N 16 113.578 113.578 114.173 -0.595 19617 66 1 . 1 1 16 16 THR HA H 16 4.975 4.975 4.690 0.285 19617 67 1 . 1 1 16 16 THR CA C 16 58.445 58.445 60.883 -2.438 19617 68 1 . 1 1 16 16 THR CB C 16 70.534 70.534 70.135 0.399 19617 69 1 . 1 1 16 16 THR H H 16 7.962 7.962 8.199 -0.237 19617 70 1 . 1 1 17 17 VAL N N 17 121.480 121.480 121.443 0.037 19617 71 1 . 1 1 17 17 VAL HA H 17 4.322 4.322 4.452 -0.130 19617 72 1 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.817 0.120 19617 73 1 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.650 -0.246 19617 74 1 . 1 1 17 17 VAL H H 17 7.969 7.969 8.708 -0.739 19617 75 1 . 1 1 18 18 ALA N N 18 126.013 126.013 126.867 -0.854 19617 76 1 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.359 -0.184 19617 77 1 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.875 -0.912 19617 78 1 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.618 -0.696 19617 79 1 . 1 1 18 18 ALA H H 18 7.756 7.756 8.342 -0.586 19617 80 1 . 1 1 19 19 LYS N N 19 119.740 119.740 122.249 -2.509 19617 81 1 . 1 1 19 19 LYS HA H 19 3.489 3.489 4.017 -0.528 19617 82 1 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.976 0.796 19617 83 1 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.419 -0.817 19617 84 1 . 1 1 19 19 LYS H H 19 7.892 7.892 8.363 -0.470 19617 85 1 . 1 1 20 20 GLY N N 20 116.706 116.706 112.556 4.150 19617 86 1 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.451 -1.687 19617 87 1 . 1 1 20 20 GLY H H 20 8.615 8.615 8.568 0.047 19617 88 1 . 1 1 21 21 LEU N N 21 123.004 123.004 123.331 -0.327 19617 89 1 . 1 1 21 21 LEU HA H 21 4.590 4.590 4.580 0.010 19617 90 1 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.146 -0.781 19617 91 1 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.223 -5.261 19617 92 1 . 1 1 21 21 LEU H H 21 8.013 8.013 7.783 0.229 19617 93 1 . 1 1 22 22 GLN N N 22 117.502 117.502 118.224 -0.722 19617 94 1 . 1 1 22 22 GLN HA H 22 5.126 5.126 5.145 -0.019 19617 95 1 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.303 -0.634 19617 96 1 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.415 -0.501 19617 97 1 . 1 1 22 22 GLN H H 22 8.223 8.223 8.330 -0.107 19617 98 1 . 1 1 23 23 GLU N N 23 118.123 118.123 123.092 -4.969 19617 99 1 . 1 1 23 23 GLU HA H 23 4.562 4.562 4.659 -0.097 19617 100 1 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.930 -2.063 19617 101 1 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.025 -0.151 19617 102 1 . 1 1 23 23 GLU H H 23 8.188 8.188 8.621 -0.433 19617 103 1 . 1 1 24 24 ASN N N 24 125.843 125.843 121.577 4.266 19617 104 1 . 1 1 24 24 ASN HA H 24 4.777 4.777 5.011 -0.234 19617 105 1 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.521 -0.010 19617 106 1 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.669 0.077 19617 107 1 . 1 1 24 24 ASN H H 24 9.391 9.391 8.540 0.851 19617 108 1 . 1 1 25 25 PHE N N 25 122.822 122.822 119.689 3.133 19617 109 1 . 1 1 25 25 PHE HA H 25 4.650 4.650 4.741 -0.091 19617 110 1 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.504 0.619 19617 111 1 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.985 -2.926 19617 112 1 . 1 1 25 25 PHE H H 25 8.059 8.059 8.146 -0.087 19617 113 1 . 1 1 26 26 LYS N N 26 119.114 119.114 119.992 -0.878 19617 114 1 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.665 0.579 19617 115 1 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.852 -2.876 19617 116 1 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.742 -1.081 19617 117 1 . 1 1 26 26 LYS H H 26 9.255 9.255 8.652 0.603 19617 118 1 . 1 1 27 27 ALA N N 27 125.586 125.586 127.945 -2.359 19617 119 1 . 1 1 27 27 ALA HA H 27 5.263 5.263 5.231 0.032 19617 120 1 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.186 -2.369 19617 121 1 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.929 -0.769 19617 122 1 . 1 1 27 27 ALA H H 27 9.119 9.119 8.607 0.512 19617 123 1 . 1 1 28 28 THR N N 28 120.628 120.628 118.169 2.459 19617 124 1 . 1 1 28 28 THR HA H 28 4.843 4.843 4.606 0.238 19617 125 1 . 1 1 28 28 THR CA C 28 60.566 60.566 60.901 -0.335 19617 126 1 . 1 1 28 28 THR CB C 28 69.478 69.478 69.803 -0.325 19617 127 1 . 1 1 28 28 THR H H 28 9.061 9.061 8.141 0.920 19617 128 1 . 1 1 29 29 GLY N N 29 115.787 115.787 113.534 2.253 19617 129 1 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.993 0.323 19617 130 1 . 1 1 29 29 GLY H H 29 9.663 9.663 8.516 1.147 19617 131 1 . 1 1 30 30 ILE N N 30 123.084 123.084 123.601 -0.517 19617 132 1 . 1 1 30 30 ILE HA H 30 4.781 4.781 4.384 0.397 19617 133 1 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.851 -0.463 19617 134 1 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.527 -2.644 19617 135 1 . 1 1 30 30 ILE H H 30 7.914 7.914 7.942 -0.028 19617 136 1 . 1 1 31 31 PHE N N 31 125.209 125.209 124.287 0.922 19617 137 1 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.013 0.357 19617 138 1 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.861 0.626 19617 139 1 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.310 -0.157 19617 140 1 . 1 1 31 31 PHE H H 31 8.316 8.316 8.088 0.228 19617 141 1 . 1 1 32 32 THR N N 32 113.843 113.843 116.974 -3.131 19617 142 1 . 1 1 32 32 THR HA H 32 4.409 4.409 4.143 0.266 19617 143 1 . 1 1 32 32 THR CA C 32 64.157 64.157 65.429 -1.272 19617 144 1 . 1 1 32 32 THR CB C 32 68.540 68.540 68.706 -0.166 19617 145 1 . 1 1 32 32 THR H H 32 9.335 9.335 8.794 0.541 19617 146 1 . 1 1 33 33 ASP N N 33 118.799 118.799 119.549 -0.750 19617 147 1 . 1 1 33 33 ASP HA H 33 4.622 4.622 4.664 -0.042 19617 148 1 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.937 -1.974 19617 149 1 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.606 -2.112 19617 150 1 . 1 1 33 33 ASP H H 33 7.689 7.689 8.294 -0.605 19617 151 1 . 1 1 34 34 ASN N N 34 112.999 112.999 116.434 -3.434 19617 152 1 . 1 1 34 34 ASN HA H 34 4.350 4.350 4.580 -0.230 19617 153 1 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.976 0.370 19617 154 1 . 1 1 34 34 ASN CB C 34 36.490 36.490 38.656 -2.166 19617 155 1 . 1 1 34 34 ASN H H 34 8.370 8.370 7.858 0.512 19617 156 1 . 1 1 35 35 SER N N 35 115.544 115.544 115.302 0.242 19617 157 1 . 1 1 35 35 SER HA H 35 4.410 4.410 4.352 0.058 19617 158 1 . 1 1 35 35 SER CA C 35 57.882 57.882 58.865 -0.983 19617 159 1 . 1 1 35 35 SER CB C 35 63.770 63.770 63.438 0.332 19617 160 1 . 1 1 35 35 SER H H 35 7.990 7.990 8.448 -0.458 19617 161 1 . 1 1 36 36 ASN N N 36 116.055 116.055 120.438 -4.383 19617 162 1 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.309 -1.635 19617 163 1 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.877 0.922 19617 164 1 . 1 1 36 36 ASN H H 36 8.518 8.518 8.044 0.474 19617 165 1 . 1 1 37 37 SER N N 37 113.193 113.193 115.575 -2.382 19617 166 1 . 1 1 37 37 SER HA H 37 4.719 4.719 4.585 0.134 19617 167 1 . 1 1 37 37 SER CA C 37 56.801 56.801 57.699 -0.898 19617 168 1 . 1 1 37 37 SER CB C 37 64.872 64.872 65.334 -0.462 19617 169 1 . 1 1 37 37 SER H H 37 8.667 8.667 8.502 0.165 19617 170 1 . 1 1 38 38 ASP N N 38 123.964 123.964 123.034 0.930 19617 171 1 . 1 1 38 38 ASP HA H 38 4.982 4.982 4.695 0.287 19617 172 1 . 1 1 38 38 ASP CA C 38 54.201 54.201 54.866 -0.665 19617 173 1 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.531 -0.603 19617 174 1 . 1 1 38 38 ASP H H 38 8.849 8.849 8.632 0.217 19617 175 1 . 1 1 39 39 ILE N N 39 121.214 121.214 121.494 -0.280 19617 176 1 . 1 1 39 39 ILE HA H 39 4.876 4.876 4.017 0.859 19617 177 1 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.236 -2.529 19617 178 1 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.406 -0.320 19617 179 1 . 1 1 39 39 ILE H H 39 8.816 8.816 8.339 0.477 19617 180 1 . 1 1 40 40 THR N N 40 122.861 122.861 116.774 6.087 19617 181 1 . 1 1 40 40 THR HA H 40 4.289 4.289 4.119 0.170 19617 182 1 . 1 1 40 40 THR CB C 40 68.527 68.527 68.810 -0.283 19617 183 1 . 1 1 40 40 THR H H 40 8.679 8.679 8.130 0.549 19617 184 1 . 1 1 41 41 ASP N N 41 114.076 114.076 119.140 -5.064 19617 185 1 . 1 1 41 41 ASP HA H 41 3.697 3.697 4.694 -0.997 19617 186 1 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.166 -0.688 19617 187 1 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.970 -2.252 19617 188 1 . 1 1 41 41 ASP H H 41 8.539 8.539 8.310 0.229 19617 189 1 . 1 1 42 42 GLN N N 42 117.086 117.086 117.411 -0.325 19617 190 1 . 1 1 42 42 GLN HA H 42 4.146 4.146 3.996 0.150 19617 191 1 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.350 -0.814 19617 192 1 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.563 2.653 19617 193 1 . 1 1 42 42 GLN H H 42 7.718 7.718 7.791 -0.073 19617 194 1 . 1 1 43 43 VAL N N 43 109.916 109.916 120.509 -10.593 19617 195 1 . 1 1 43 43 VAL HA H 43 4.091 4.091 3.953 0.138 19617 196 1 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.130 -4.290 19617 197 1 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.253 -0.979 19617 198 1 . 1 1 43 43 VAL H H 43 6.902 6.902 8.139 -1.237 19617 199 1 . 1 1 44 44 THR N N 44 116.270 116.270 122.986 -6.716 19617 200 1 . 1 1 44 44 THR HA H 44 4.311 4.311 4.406 -0.095 19617 201 1 . 1 1 44 44 THR CA C 44 61.651 61.651 62.229 -0.577 19617 202 1 . 1 1 44 44 THR CB C 44 68.890 68.890 68.805 0.085 19617 203 1 . 1 1 44 44 THR H H 44 8.787 8.787 8.079 0.708 19617 204 1 . 1 1 45 45 TRP N N 45 132.099 132.099 126.299 5.800 19617 205 1 . 1 1 45 45 TRP HA H 45 5.246 5.246 5.252 -0.006 19617 206 1 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.423 -0.036 19617 207 1 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.655 -1.578 19617 208 1 . 1 1 45 45 TRP H H 45 10.351 10.351 8.151 2.200 19617 209 1 . 1 1 46 46 ASP N N 46 121.897 121.897 122.194 -0.297 19617 210 1 . 1 1 46 46 ASP HA H 46 4.859 4.859 5.050 -0.191 19617 211 1 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.709 -0.911 19617 212 1 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.212 -0.137 19617 213 1 . 1 1 46 46 ASP H H 46 9.471 9.471 8.533 0.938 19617 214 1 . 1 1 47 47 SER N N 47 113.805 113.805 117.013 -3.208 19617 215 1 . 1 1 47 47 SER HA H 47 5.044 5.044 4.834 0.210 19617 216 1 . 1 1 47 47 SER CA C 47 53.059 53.059 56.805 -3.746 19617 217 1 . 1 1 47 47 SER CB C 47 64.880 64.880 65.171 -0.291 19617 218 1 . 1 1 47 47 SER H H 47 8.502 8.502 8.453 0.049 19617 219 1 . 1 1 48 48 SER N N 48 119.614 119.614 118.173 1.441 19617 220 1 . 1 1 48 48 SER HA H 48 4.281 4.281 4.421 -0.140 19617 221 1 . 1 1 48 48 SER CA C 48 59.404 59.404 59.106 0.298 19617 222 1 . 1 1 48 48 SER CB C 48 62.026 62.026 63.974 -1.948 19617 223 1 . 1 1 48 48 SER H H 48 8.518 8.518 8.480 0.038 19617 224 1 . 1 1 49 49 ASN N N 49 118.260 118.260 119.871 -1.611 19617 225 1 . 1 1 49 49 ASN HA H 49 4.895 4.895 4.816 0.079 19617 226 1 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.419 -0.578 19617 227 1 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.910 -1.190 19617 228 1 . 1 1 49 49 ASN H H 49 7.816 7.816 8.635 -0.819 19617 229 1 . 1 1 50 50 THR N N 50 119.289 119.289 114.320 4.969 19617 230 1 . 1 1 50 50 THR HA H 50 4.567 4.567 4.435 0.132 19617 231 1 . 1 1 50 50 THR CA C 50 62.137 62.137 63.198 -1.061 19617 232 1 . 1 1 50 50 THR CB C 50 67.100 67.100 69.457 -2.357 19617 233 1 . 1 1 50 50 THR H H 50 9.048 9.048 8.180 0.868 19617 234 1 . 1 1 51 51 ASP N N 51 118.825 118.825 120.177 -1.352 19617 235 1 . 1 1 51 51 ASP HA H 51 4.577 4.577 4.717 -0.140 19617 236 1 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.836 -0.146 19617 237 1 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.287 -2.629 19617 238 1 . 1 1 51 51 ASP H H 51 8.251 8.251 8.348 -0.097 19617 239 1 . 1 1 52 52 ILE N N 52 118.410 118.410 119.865 -1.455 19617 240 1 . 1 1 52 52 ILE HA H 52 3.926 3.926 4.346 -0.420 19617 241 1 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.111 0.570 19617 242 1 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.211 -0.315 19617 243 1 . 1 1 52 52 ILE H H 52 7.169 7.169 7.953 -0.784 19617 244 1 . 1 1 53 53 LEU N N 53 120.129 120.129 126.621 -6.492 19617 245 1 . 1 1 53 53 LEU HA H 53 5.022 5.022 4.936 0.086 19617 246 1 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.210 -0.929 19617 247 1 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.465 1.940 19617 248 1 . 1 1 53 53 LEU H H 53 7.876 7.876 8.288 -0.412 19617 249 1 . 1 1 54 54 SER N N 54 122.249 122.249 119.597 2.652 19617 250 1 . 1 1 54 54 SER HA H 54 4.954 4.954 4.825 0.129 19617 251 1 . 1 1 54 54 SER CA C 54 54.724 54.724 57.419 -2.695 19617 252 1 . 1 1 54 54 SER CB C 54 64.417 64.417 65.465 -1.048 19617 253 1 . 1 1 54 54 SER H H 54 8.650 8.650 8.830 -0.180 19617 254 1 . 1 1 55 55 ILE N N 55 123.973 123.973 123.932 0.041 19617 255 1 . 1 1 55 55 ILE HA H 55 4.902 4.902 4.486 0.416 19617 256 1 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.726 -0.859 19617 257 1 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.169 1.249 19617 258 1 . 1 1 55 55 ILE H H 55 9.081 9.081 8.423 0.658 19617 259 1 . 1 1 56 56 SER N N 56 119.541 119.541 122.803 -3.262 19617 260 1 . 1 1 56 56 SER HA H 56 4.384 4.384 4.386 -0.002 19617 261 1 . 1 1 56 56 SER CA C 56 56.626 56.626 57.178 -0.552 19617 262 1 . 1 1 56 56 SER CB C 56 63.106 63.106 64.782 -1.676 19617 263 1 . 1 1 56 56 SER H H 56 7.905 7.905 8.429 -0.524 19617 264 1 . 1 1 57 57 ASN N N 57 124.208 124.208 123.344 0.864 19617 265 1 . 1 1 57 57 ASN HA H 57 5.016 5.016 4.791 0.225 19617 266 1 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.894 -0.425 19617 267 1 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.487 0.603 19617 268 1 . 1 1 57 57 ASN H H 57 8.945 8.945 8.467 0.478 19617 269 1 . 1 1 58 58 ALA N N 58 124.301 124.301 123.495 0.806 19617 270 1 . 1 1 58 58 ALA HA H 58 4.134 4.134 4.461 -0.327 19617 271 1 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.173 -0.886 19617 272 1 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.497 -1.143 19617 273 1 . 1 1 58 58 ALA H H 58 8.150 8.150 7.966 0.184 19617 274 1 . 1 1 59 59 SER N N 59 113.293 113.293 114.834 -1.541 19617 275 1 . 1 1 59 59 SER HA H 59 4.706 4.706 4.260 0.446 19617 276 1 . 1 1 59 59 SER CA C 59 60.003 60.003 60.154 -0.151 19617 277 1 . 1 1 59 59 SER CB C 59 62.574 62.574 63.494 -0.919 19617 278 1 . 1 1 59 59 SER H H 59 8.377 8.377 8.372 0.005 19617 279 1 . 1 1 60 60 ASP N N 60 116.272 116.272 116.942 -0.670 19617 280 1 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.702 -0.031 19617 281 1 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.482 -1.723 19617 282 1 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.725 -2.013 19617 283 1 . 1 1 60 60 ASP H H 60 8.310 8.310 7.919 0.391 19617 284 1 . 1 1 61 61 SER N N 61 112.651 112.651 113.133 -0.481 19617 285 1 . 1 1 61 61 SER HA H 61 4.630 4.630 4.372 0.258 19617 286 1 . 1 1 61 61 SER CA C 61 56.180 56.180 59.423 -3.243 19617 287 1 . 1 1 61 61 SER CB C 61 61.843 61.843 63.816 -1.973 19617 288 1 . 1 1 61 61 SER H H 61 7.588 7.588 8.084 -0.496 19617 289 1 . 1 1 62 62 HIS N N 62 119.790 119.790 120.252 -0.462 19617 290 1 . 1 1 62 62 HIS HA H 62 4.046 4.046 4.619 -0.573 19617 291 1 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.684 1.235 19617 292 1 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.156 -2.632 19617 293 1 . 1 1 62 62 HIS H H 62 8.030 8.030 7.917 0.113 19617 294 1 . 1 1 63 63 GLY N N 63 113.297 113.297 109.204 4.093 19617 295 1 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.067 -0.414 19617 296 1 . 1 1 63 63 GLY H H 63 8.733 8.733 8.229 0.504 19617 297 1 . 1 1 64 64 LEU N N 64 120.663 120.663 119.184 1.479 19617 298 1 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.970 -0.584 19617 299 1 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.100 0.793 19617 300 1 . 1 1 64 64 LEU CB C 64 41.463 41.463 42.868 -1.405 19617 301 1 . 1 1 64 64 LEU H H 64 7.680 7.680 7.962 -0.282 19617 302 1 . 1 1 65 65 ALA N N 65 108.347 108.347 126.780 -18.434 19617 303 1 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.656 0.745 19617 304 1 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.694 -1.427 19617 305 1 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.532 1.023 19617 306 1 . 1 1 65 65 ALA H H 65 9.874 9.874 8.665 1.209 19617 307 1 . 1 1 66 66 SER N N 66 115.950 115.950 120.050 -4.100 19617 308 1 . 1 1 66 66 SER HA H 66 4.906 4.906 5.504 -0.598 19617 309 1 . 1 1 66 66 SER CA C 66 56.645 56.645 56.545 0.100 19617 310 1 . 1 1 66 66 SER CB C 66 63.823 63.823 65.314 -1.491 19617 311 1 . 1 1 66 66 SER H H 66 8.938 8.938 8.713 0.225 19617 312 1 . 1 1 67 67 THR N N 67 113.595 113.595 118.917 -5.322 19617 313 1 . 1 1 67 67 THR HA H 67 4.649 4.649 4.845 -0.196 19617 314 1 . 1 1 67 67 THR CA C 67 59.216 59.216 61.080 -1.864 19617 315 1 . 1 1 67 67 THR CB C 67 69.006 69.006 71.367 -2.361 19617 316 1 . 1 1 67 67 THR H H 67 8.257 8.257 8.256 0.001 19617 317 1 . 1 1 68 68 LEU N N 68 124.152 124.152 125.707 -1.555 19617 318 1 . 1 1 68 68 LEU HA H 68 4.362 4.362 4.721 -0.359 19617 319 1 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.766 0.346 19617 320 1 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.118 -0.203 19617 321 1 . 1 1 68 68 LEU H H 68 8.616 8.616 8.325 0.291 19617 322 1 . 1 1 69 69 ASN N N 69 115.820 115.820 118.116 -2.296 19617 323 1 . 1 1 69 69 ASN HA H 69 4.660 4.660 4.897 -0.237 19617 324 1 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.620 -0.164 19617 325 1 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.832 1.474 19617 326 1 . 1 1 69 69 ASN H H 69 7.965 7.965 7.800 0.165 19617 327 1 . 1 1 70 70 GLN N N 70 114.562 114.562 118.843 -4.281 19617 328 1 . 1 1 70 70 GLN HA H 70 3.926 3.926 4.487 -0.561 19617 329 1 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.654 -0.417 19617 330 1 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.966 0.040 19617 331 1 . 1 1 70 70 GLN H H 70 8.287 8.287 8.589 -0.302 19617 332 1 . 1 1 71 71 GLY N N 71 108.005 108.005 111.972 -3.967 19617 333 1 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.483 -1.797 19617 334 1 . 1 1 71 71 GLY H H 71 8.520 8.520 8.206 0.314 19617 335 1 . 1 1 72 72 ASN N N 72 117.787 117.787 120.145 -2.358 19617 336 1 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.021 0.452 19617 337 1 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.295 -0.604 19617 338 1 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.641 -1.745 19617 339 1 . 1 1 72 72 ASN H H 72 8.420 8.420 8.278 0.142 19617 340 1 . 1 1 73 73 VAL N N 73 115.846 115.846 117.755 -1.909 19617 341 1 . 1 1 73 73 VAL HA H 73 4.527 4.527 4.499 0.028 19617 342 1 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.501 -1.526 19617 343 1 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.661 -0.482 19617 344 1 . 1 1 73 73 VAL H H 73 8.990 8.990 9.101 -0.111 19617 345 1 . 1 1 74 74 LYS N N 74 123.195 123.195 125.991 -2.796 19617 346 1 . 1 1 74 74 LYS HA H 74 5.154 5.154 4.730 0.424 19617 347 1 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.684 -0.803 19617 348 1 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.945 -0.348 19617 349 1 . 1 1 74 74 LYS H H 74 8.715 8.715 8.386 0.329 19617 350 1 . 1 1 75 75 VAL N N 75 129.521 129.521 126.980 2.541 19617 351 1 . 1 1 75 75 VAL HA H 75 4.543 4.543 4.853 -0.310 19617 352 1 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.966 -0.150 19617 353 1 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.049 -0.566 19617 354 1 . 1 1 75 75 VAL H H 75 8.975 8.975 8.374 0.601 19617 355 1 . 1 1 76 76 THR N N 76 120.544 120.544 120.243 0.301 19617 356 1 . 1 1 76 76 THR HA H 76 5.067 5.067 4.775 0.292 19617 357 1 . 1 1 76 76 THR CA C 76 59.783 59.783 60.578 -0.794 19617 358 1 . 1 1 76 76 THR CB C 76 70.733 70.733 71.083 -0.350 19617 359 1 . 1 1 76 76 THR H H 76 8.650 8.650 8.453 0.197 19617 360 1 . 1 1 77 77 ALA N N 77 126.453 126.453 127.056 -0.603 19617 361 1 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.306 -0.926 19617 362 1 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.887 -2.457 19617 363 1 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.324 -1.780 19617 364 1 . 1 1 77 77 ALA H H 77 8.674 8.674 8.369 0.305 19617 365 1 . 1 1 78 78 SER N N 78 113.566 113.566 116.446 -2.880 19617 366 1 . 1 1 78 78 SER HA H 78 5.377 5.377 4.874 0.503 19617 367 1 . 1 1 78 78 SER CA C 78 56.077 56.077 57.603 -1.527 19617 368 1 . 1 1 78 78 SER CB C 78 65.730 65.730 66.169 -0.439 19617 369 1 . 1 1 78 78 SER H H 78 8.116 8.116 8.345 -0.229 19617 370 1 . 1 1 79 79 ILE N N 79 121.070 121.070 124.271 -3.201 19617 371 1 . 1 1 79 79 ILE HA H 79 4.148 4.148 4.475 -0.327 19617 372 1 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.040 1.084 19617 373 1 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.566 -1.757 19617 374 1 . 1 1 79 79 ILE H H 79 8.446 8.446 8.020 0.426 19617 375 1 . 1 1 80 80 GLY N N 80 117.155 117.155 116.209 0.946 19617 376 1 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.367 -0.361 19617 377 1 . 1 1 80 80 GLY H H 80 8.899 8.899 8.716 0.183 19617 378 1 . 1 1 81 81 GLY N N 81 110.715 110.715 110.923 -0.208 19617 379 1 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.765 -0.387 19617 380 1 . 1 1 81 81 GLY H H 81 8.742 8.742 8.351 0.391 19617 381 1 . 1 1 82 82 ILE N N 82 124.113 124.113 120.801 3.312 19617 382 1 . 1 1 82 82 ILE HA H 82 4.202 4.202 4.191 0.011 19617 383 1 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.741 -1.708 19617 384 1 . 1 1 82 82 ILE CB C 82 36.777 36.777 39.256 -2.479 19617 385 1 . 1 1 82 82 ILE H H 82 8.188 8.188 7.821 0.367 19617 386 1 . 1 1 83 83 GLN N N 83 122.453 122.453 122.323 0.130 19617 387 1 . 1 1 83 83 GLN HA H 83 5.396 5.396 4.798 0.598 19617 388 1 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.197 -1.177 19617 389 1 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.477 0.038 19617 390 1 . 1 1 83 83 GLN H H 83 8.423 8.423 8.266 0.157 19617 391 1 . 1 1 84 84 GLY N N 84 111.436 111.436 108.065 3.371 19617 392 1 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.459 -0.761 19617 393 1 . 1 1 84 84 GLY H H 84 8.931 8.931 8.645 0.286 19617 394 1 . 1 1 85 85 SER N N 85 113.877 113.877 115.565 -1.688 19617 395 1 . 1 1 85 85 SER HA H 85 5.843 5.843 4.934 0.909 19617 396 1 . 1 1 85 85 SER CA C 85 56.264 56.264 57.137 -0.872 19617 397 1 . 1 1 85 85 SER CB C 85 66.946 66.946 66.315 0.631 19617 398 1 . 1 1 85 85 SER H H 85 8.710 8.710 8.277 0.433 19617 399 1 . 1 1 86 86 THR N N 86 115.389 115.389 115.799 -0.410 19617 400 1 . 1 1 86 86 THR HA H 86 4.772 4.772 4.667 0.105 19617 401 1 . 1 1 86 86 THR CA C 86 60.313 60.313 60.761 -0.448 19617 402 1 . 1 1 86 86 THR CB C 86 69.852 69.852 71.268 -1.416 19617 403 1 . 1 1 86 86 THR H H 86 8.854 8.854 8.565 0.289 19617 404 1 . 1 1 87 87 ASP N N 87 124.622 124.622 124.756 -0.134 19617 405 1 . 1 1 87 87 ASP HA H 87 5.438 5.438 4.917 0.522 19617 406 1 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.410 0.386 19617 407 1 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.732 -0.722 19617 408 1 . 1 1 87 87 ASP H H 87 7.953 7.953 8.431 -0.478 19617 409 1 . 1 1 88 88 PHE N N 88 123.577 123.577 125.130 -1.553 19617 410 1 . 1 1 88 88 PHE HA H 88 4.933 4.933 5.324 -0.391 19617 411 1 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.238 0.730 19617 412 1 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.770 0.114 19617 413 1 . 1 1 88 88 PHE H H 88 9.094 9.094 8.792 0.302 19617 414 1 . 1 1 89 89 LYS N N 89 126.966 126.966 125.317 1.649 19617 415 1 . 1 1 89 89 LYS HA H 89 5.037 5.037 4.751 0.286 19617 416 1 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.242 -1.353 19617 417 1 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.116 -0.447 19617 418 1 . 1 1 89 89 LYS H H 89 7.269 7.269 8.381 -1.112 19617 419 1 . 1 1 90 90 VAL N N 90 126.146 126.146 127.812 -1.666 19617 420 1 . 1 1 90 90 VAL HA H 90 5.008 5.008 5.142 -0.134 19617 421 1 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.442 -0.895 19617 422 1 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.852 -1.904 19617 423 1 . 1 1 90 90 VAL H H 90 9.086 9.086 8.291 0.795 19617 424 1 . 1 1 91 91 THR N N 91 120.506 120.506 119.535 0.971 19617 425 1 . 1 1 91 91 THR HA H 91 4.568 4.568 4.715 -0.147 19617 426 1 . 1 1 91 91 THR CA C 91 59.348 59.348 60.136 -0.788 19617 427 1 . 1 1 91 91 THR CB C 91 68.970 68.970 71.199 -2.229 19617 428 1 . 1 1 91 91 THR H H 91 8.757 8.757 8.013 0.744 19617 stop_ save_