data_19849 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19849 _Entry.PDB_ID 2MM9 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 19849 _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 VAL N N 2 120.462 120.462 122.244 -1.782 19849 2 1 1 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.481 0.027 19849 3 1 1 . 1 1 2 2 VAL C C 2 174.797 174.797 174.470 0.327 19849 4 1 1 . 1 1 2 2 VAL CA C 2 61.285 61.285 60.090 1.195 19849 5 1 1 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.962 -2.141 19849 6 1 1 . 1 1 2 2 VAL H H 2 8.729 8.729 8.139 0.590 19849 7 1 1 . 1 1 3 3 THR N N 3 113.531 113.531 112.131 1.400 19849 8 1 1 . 1 1 3 3 THR HA H 3 4.794 4.794 4.760 0.034 19849 9 1 1 . 1 1 3 3 THR C C 3 175.419 175.419 174.815 0.604 19849 10 1 1 . 1 1 3 3 THR CA C 3 59.466 59.466 60.080 -0.613 19849 11 1 1 . 1 1 3 3 THR H H 3 7.740 7.740 8.286 -0.546 19849 12 1 1 . 1 1 4 4 LYS N N 4 121.981 121.981 123.036 -1.055 19849 13 1 1 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.647 -0.210 19849 14 1 1 . 1 1 4 4 LYS C C 4 177.186 177.186 177.675 -0.489 19849 15 1 1 . 1 1 4 4 LYS CA C 4 59.716 59.716 59.006 0.710 19849 16 1 1 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.426 0.784 19849 17 1 1 . 1 1 4 4 LYS H H 4 9.168 9.168 8.930 0.238 19849 18 1 1 . 1 1 5 5 GLU N N 5 117.723 117.723 117.621 0.102 19849 19 1 1 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.071 -0.019 19849 20 1 1 . 1 1 5 5 GLU C C 5 179.351 179.351 178.791 0.560 19849 21 1 1 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.359 1.149 19849 22 1 1 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.216 -0.822 19849 23 1 1 . 1 1 5 5 GLU H H 5 8.835 8.835 8.552 0.283 19849 24 1 1 . 1 1 6 6 GLN N N 6 122.133 122.133 118.255 3.878 19849 25 1 1 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.204 -0.195 19849 26 1 1 . 1 1 6 6 GLN C C 6 178.109 178.109 178.033 0.076 19849 27 1 1 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.135 0.743 19849 28 1 1 . 1 1 6 6 GLN CB C 6 28.873 28.873 27.975 0.898 19849 29 1 1 . 1 1 6 6 GLN H H 6 7.867 7.867 7.678 0.189 19849 30 1 1 . 1 1 7 7 VAL N N 7 120.130 120.130 122.010 -1.880 19849 31 1 1 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.541 -0.404 19849 32 1 1 . 1 1 7 7 VAL C C 7 177.807 177.807 177.772 0.035 19849 33 1 1 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.939 -0.426 19849 34 1 1 . 1 1 7 7 VAL CB C 7 31.241 31.241 31.028 0.213 19849 35 1 1 . 1 1 7 7 VAL H H 7 7.447 7.447 7.397 0.050 19849 36 1 1 . 1 1 8 8 GLU N N 8 117.342 117.342 119.925 -2.583 19849 37 1 1 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.841 -0.271 19849 38 1 1 . 1 1 8 8 GLU C C 8 174.166 174.166 178.598 -4.432 19849 39 1 1 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.641 0.058 19849 40 1 1 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.886 0.958 19849 41 1 1 . 1 1 8 8 GLU H H 8 8.529 8.529 8.081 0.448 19849 42 1 1 . 1 1 9 9 ALA N N 9 124.344 124.344 120.477 3.867 19849 43 1 1 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.276 0.144 19849 44 1 1 . 1 1 9 9 ALA C C 9 177.996 177.996 179.699 -1.703 19849 45 1 1 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.406 1.117 19849 46 1 1 . 1 1 9 9 ALA H H 9 8.301 8.301 7.575 0.726 19849 47 1 1 . 1 1 10 10 SER N N 10 117.198 117.198 115.892 1.306 19849 48 1 1 . 1 1 10 10 SER HA H 10 4.374 4.374 4.179 0.195 19849 49 1 1 . 1 1 10 10 SER C C 10 175.219 175.219 176.541 -1.322 19849 50 1 1 . 1 1 10 10 SER CA C 10 62.207 62.207 61.779 0.428 19849 51 1 1 . 1 1 10 10 SER H H 10 8.303 8.303 7.907 0.396 19849 52 1 1 . 1 1 11 11 LEU N N 11 118.287 118.287 121.249 -2.962 19849 53 1 1 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.105 -0.291 19849 54 1 1 . 1 1 11 11 LEU C C 11 179.247 179.247 178.882 0.365 19849 55 1 1 . 1 1 11 11 LEU CA C 11 58.209 58.209 58.035 0.174 19849 56 1 1 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.742 0.786 19849 57 1 1 . 1 1 11 11 LEU H H 11 7.973 7.973 8.254 -0.281 19849 58 1 1 . 1 1 12 12 THR N N 12 116.416 116.416 113.863 2.553 19849 59 1 1 . 1 1 12 12 THR HA H 12 3.530 3.530 3.991 -0.461 19849 60 1 1 . 1 1 12 12 THR C C 12 176.464 176.464 175.981 0.483 19849 61 1 1 . 1 1 12 12 THR CA C 12 67.016 67.016 66.460 0.556 19849 62 1 1 . 1 1 12 12 THR CB C 12 68.586 68.586 68.197 0.389 19849 63 1 1 . 1 1 12 12 THR H H 12 8.440 8.440 7.783 0.657 19849 64 1 1 . 1 1 13 13 SER N N 13 115.144 115.144 116.741 -1.597 19849 65 1 1 . 1 1 13 13 SER HA H 13 4.105 4.105 4.428 -0.323 19849 66 1 1 . 1 1 13 13 SER C C 13 176.285 176.285 175.426 0.859 19849 67 1 1 . 1 1 13 13 SER CA C 13 61.032 61.032 60.863 0.169 19849 68 1 1 . 1 1 13 13 SER CB C 13 63.045 63.045 63.524 -0.479 19849 69 1 1 . 1 1 13 13 SER H H 13 8.022 8.022 7.695 0.327 19849 70 1 1 . 1 1 14 14 LYS N N 14 116.028 116.028 119.757 -3.729 19849 71 1 1 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.335 -0.025 19849 72 1 1 . 1 1 14 14 LYS C C 14 178.041 178.041 177.354 0.687 19849 73 1 1 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.045 -0.203 19849 74 1 1 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.215 0.642 19849 75 1 1 . 1 1 14 14 LYS H H 14 7.466 7.466 7.888 -0.422 19849 76 1 1 . 1 1 15 15 LEU N N 15 114.405 114.405 117.481 -3.076 19849 77 1 1 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.574 -0.155 19849 78 1 1 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.877 0.047 19849 79 1 1 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.976 -1.616 19849 80 1 1 . 1 1 15 15 LEU H H 15 7.842 7.842 8.042 -0.200 19849 81 1 1 . 1 1 16 16 LYS N N 16 116.513 116.513 115.931 0.582 19849 82 1 1 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.236 -0.116 19849 83 1 1 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.218 0.079 19849 84 1 1 . 1 1 16 16 LYS H H 16 7.421 7.421 7.377 0.044 19849 85 1 1 . 1 1 17 17 PRO C C 17 177.159 177.159 175.447 1.712 19849 86 1 1 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.497 -0.602 19849 87 1 1 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.459 2.848 19849 88 1 1 . 1 1 18 18 ILE N N 18 116.671 116.671 120.917 -4.246 19849 89 1 1 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.244 0.050 19849 90 1 1 . 1 1 18 18 ILE C C 18 175.085 175.085 176.351 -1.266 19849 91 1 1 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.529 -0.502 19849 92 1 1 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.347 0.669 19849 93 1 1 . 1 1 18 18 ILE H H 18 7.917 7.917 8.103 -0.186 19849 94 1 1 . 1 1 19 19 HIS N N 19 117.574 117.574 119.277 -1.703 19849 95 1 1 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.748 -0.306 19849 96 1 1 . 1 1 19 19 HIS C C 19 171.727 171.727 172.912 -1.185 19849 97 1 1 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.725 0.649 19849 98 1 1 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.826 1.733 19849 99 1 1 . 1 1 19 19 HIS H H 19 6.968 6.968 8.010 -1.042 19849 100 1 1 . 1 1 20 20 LEU N N 20 128.803 128.803 126.978 1.825 19849 101 1 1 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.015 -0.209 19849 102 1 1 . 1 1 20 20 LEU C C 20 173.636 173.636 175.929 -2.293 19849 103 1 1 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.117 -0.693 19849 104 1 1 . 1 1 20 20 LEU CB C 20 45.564 45.564 45.174 0.390 19849 105 1 1 . 1 1 20 20 LEU H H 20 7.928 7.928 8.317 -0.389 19849 106 1 1 . 1 1 21 21 GLU N N 21 125.639 125.639 123.630 2.009 19849 107 1 1 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.547 -0.037 19849 108 1 1 . 1 1 21 21 GLU C C 21 174.143 174.143 174.835 -0.692 19849 109 1 1 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.440 0.269 19849 110 1 1 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.605 1.988 19849 111 1 1 . 1 1 21 21 GLU H H 21 8.703 8.703 8.327 0.376 19849 112 1 1 . 1 1 22 22 VAL N N 22 126.675 126.675 120.592 6.083 19849 113 1 1 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.847 -0.230 19849 114 1 1 . 1 1 22 22 VAL C C 22 173.843 173.843 174.553 -0.710 19849 115 1 1 . 1 1 22 22 VAL CA C 22 61.359 61.359 59.788 1.571 19849 116 1 1 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.994 0.677 19849 117 1 1 . 1 1 22 22 VAL H H 22 8.936 8.936 8.468 0.468 19849 118 1 1 . 1 1 23 23 ILE N N 23 126.078 126.078 120.804 5.274 19849 119 1 1 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.457 0.016 19849 120 1 1 . 1 1 23 23 ILE C C 23 175.007 175.007 174.623 0.384 19849 121 1 1 . 1 1 23 23 ILE CA C 23 59.446 59.446 60.016 -0.570 19849 122 1 1 . 1 1 23 23 ILE CB C 23 41.237 41.237 41.801 -0.564 19849 123 1 1 . 1 1 23 23 ILE H H 23 9.099 9.099 7.721 1.378 19849 124 1 1 . 1 1 24 24 ASP N N 24 127.026 127.026 129.036 -2.010 19849 125 1 1 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.636 -0.026 19849 126 1 1 . 1 1 24 24 ASP C C 24 176.888 176.888 176.117 0.771 19849 127 1 1 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.442 -1.578 19849 128 1 1 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.353 0.679 19849 129 1 1 . 1 1 24 24 ASP H H 24 9.152 9.152 9.004 0.148 19849 130 1 1 . 1 1 25 25 ILE N N 25 123.148 123.148 127.235 -4.087 19849 131 1 1 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.366 0.226 19849 132 1 1 . 1 1 25 25 ILE C C 25 175.765 175.765 174.913 0.852 19849 133 1 1 . 1 1 25 25 ILE CA C 25 61.112 61.112 59.278 1.834 19849 134 1 1 . 1 1 25 25 ILE CB C 25 36.913 36.913 36.013 0.900 19849 135 1 1 . 1 1 25 25 ILE H H 25 7.915 7.915 8.058 -0.143 19849 136 1 1 . 1 1 26 26 SER N N 26 119.373 119.373 116.246 3.127 19849 137 1 1 . 1 1 26 26 SER HA H 26 4.520 4.520 4.539 -0.019 19849 138 1 1 . 1 1 26 26 SER C C 26 175.488 175.488 174.076 1.412 19849 139 1 1 . 1 1 26 26 SER CA C 26 58.030 58.030 58.667 -0.637 19849 140 1 1 . 1 1 26 26 SER CB C 26 64.605 64.605 64.714 -0.109 19849 141 1 1 . 1 1 26 26 SER H H 26 9.175 9.175 8.761 0.414 19849 142 1 1 . 1 1 27 27 GLY N N 27 111.902 111.902 109.973 1.929 19849 143 1 1 . 1 1 27 27 GLY C C 27 175.418 175.418 173.911 1.507 19849 144 1 1 . 1 1 27 27 GLY CA C 27 46.435 46.435 44.531 1.904 19849 145 1 1 . 1 1 27 27 GLY H H 27 8.417 8.417 7.854 0.563 19849 146 1 1 . 1 1 28 28 GLY N N 28 106.936 106.936 106.601 0.335 19849 147 1 1 . 1 1 28 28 GLY C C 28 177.627 177.627 173.679 3.948 19849 148 1 1 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.905 0.723 19849 149 1 1 . 1 1 28 28 GLY H H 28 7.864 7.864 8.220 -0.356 19849 150 1 1 . 1 1 29 29 CYS N N 29 116.829 116.829 119.747 -2.918 19849 151 1 1 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.856 -0.493 19849 152 1 1 . 1 1 29 29 CYS CA C 29 59.440 59.440 58.542 0.898 19849 153 1 1 . 1 1 29 29 CYS CB C 29 27.858 27.858 29.251 -1.393 19849 154 1 1 . 1 1 29 29 CYS H H 29 7.380 7.380 8.391 -1.011 19849 155 1 1 . 1 1 30 30 GLY N N 30 111.626 111.626 106.659 4.967 19849 156 1 1 . 1 1 30 30 GLY C C 30 173.383 173.383 174.109 -0.726 19849 157 1 1 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.938 1.148 19849 158 1 1 . 1 1 30 30 GLY H H 30 8.965 8.965 8.384 0.581 19849 159 1 1 . 1 1 31 31 SER N N 31 111.735 111.735 115.686 -3.951 19849 160 1 1 . 1 1 31 31 SER HA H 31 4.639 4.639 4.748 -0.109 19849 161 1 1 . 1 1 31 31 SER C C 31 174.246 174.246 173.320 0.926 19849 162 1 1 . 1 1 31 31 SER CA C 31 58.203 58.203 56.311 1.892 19849 163 1 1 . 1 1 31 31 SER CB C 31 64.459 64.459 65.805 -1.346 19849 164 1 1 . 1 1 31 31 SER H H 31 8.220 8.220 7.983 0.237 19849 165 1 1 . 1 1 32 32 SER N N 32 116.259 116.259 117.826 -1.567 19849 166 1 1 . 1 1 32 32 SER HA H 32 5.346 5.346 4.376 0.970 19849 167 1 1 . 1 1 32 32 SER C C 32 176.363 176.363 174.498 1.865 19849 168 1 1 . 1 1 32 32 SER CA C 32 57.400 57.400 59.617 -2.217 19849 169 1 1 . 1 1 32 32 SER CB C 32 62.866 62.866 62.800 0.066 19849 170 1 1 . 1 1 32 32 SER H H 32 7.253 7.253 8.557 -1.304 19849 171 1 1 . 1 1 33 33 PHE N N 33 118.533 118.533 127.130 -8.597 19849 172 1 1 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.880 0.776 19849 173 1 1 . 1 1 33 33 PHE C C 33 174.163 174.163 175.480 -1.317 19849 174 1 1 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.793 -0.411 19849 175 1 1 . 1 1 33 33 PHE CB C 33 44.450 44.450 40.753 3.697 19849 176 1 1 . 1 1 33 33 PHE H H 33 7.995 7.995 9.017 -1.022 19849 177 1 1 . 1 1 34 34 GLU N N 34 122.301 122.301 123.065 -0.764 19849 178 1 1 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.907 0.653 19849 179 1 1 . 1 1 34 34 GLU C C 34 175.902 175.902 175.935 -0.033 19849 180 1 1 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.100 -0.724 19849 181 1 1 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.978 3.565 19849 182 1 1 . 1 1 34 34 GLU H H 34 9.436 9.436 9.059 0.377 19849 183 1 1 . 1 1 35 35 VAL N N 35 118.350 118.350 126.481 -8.131 19849 184 1 1 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.552 0.817 19849 185 1 1 . 1 1 35 35 VAL C C 35 174.616 174.616 174.193 0.423 19849 186 1 1 . 1 1 35 35 VAL CA C 35 59.364 59.364 60.010 -0.646 19849 187 1 1 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.491 1.687 19849 188 1 1 . 1 1 35 35 VAL H H 35 8.784 8.784 8.783 0.001 19849 189 1 1 . 1 1 36 36 GLU N N 36 123.537 123.537 128.764 -5.227 19849 190 1 1 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.731 0.238 19849 191 1 1 . 1 1 36 36 GLU C C 36 174.745 174.745 175.108 -0.363 19849 192 1 1 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.763 0.428 19849 193 1 1 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.540 1.546 19849 194 1 1 . 1 1 36 36 GLU H H 36 8.859 8.859 8.564 0.295 19849 195 1 1 . 1 1 37 37 VAL N N 37 120.272 120.272 127.621 -7.349 19849 196 1 1 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.360 -0.748 19849 197 1 1 . 1 1 37 37 VAL C C 37 172.679 172.679 174.705 -2.026 19849 198 1 1 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.500 -0.210 19849 199 1 1 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.618 0.403 19849 200 1 1 . 1 1 37 37 VAL H H 37 8.497 8.497 9.007 -0.510 19849 201 1 1 . 1 1 38 38 VAL N N 38 127.971 127.971 127.528 0.443 19849 202 1 1 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.345 -0.088 19849 203 1 1 . 1 1 38 38 VAL C C 38 175.842 175.842 174.445 1.397 19849 204 1 1 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.465 -0.991 19849 205 1 1 . 1 1 38 38 VAL CB C 38 33.115 33.115 31.323 1.792 19849 206 1 1 . 1 1 38 38 VAL H H 38 8.169 8.169 8.575 -0.406 19849 207 1 1 . 1 1 39 39 SER N N 39 117.426 117.426 118.972 -1.546 19849 208 1 1 . 1 1 39 39 SER HA H 39 4.821 4.821 4.619 0.202 19849 209 1 1 . 1 1 39 39 SER C C 39 175.323 175.323 173.630 1.693 19849 210 1 1 . 1 1 39 39 SER CA C 39 55.888 55.888 55.999 -0.111 19849 211 1 1 . 1 1 39 39 SER CB C 39 64.183 64.183 65.164 -0.981 19849 212 1 1 . 1 1 39 39 SER H H 39 8.304 8.304 7.800 0.504 19849 213 1 1 . 1 1 40 40 GLU N N 40 131.571 131.571 122.789 8.782 19849 214 1 1 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.016 0.103 19849 215 1 1 . 1 1 40 40 GLU C C 40 177.887 177.887 176.850 1.037 19849 216 1 1 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.459 0.222 19849 217 1 1 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.116 0.514 19849 218 1 1 . 1 1 40 40 GLU H H 40 9.911 9.911 8.987 0.924 19849 219 1 1 . 1 1 41 41 GLN N N 41 117.534 117.534 117.500 0.034 19849 220 1 1 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.180 -0.196 19849 221 1 1 . 1 1 41 41 GLN C C 41 176.391 176.391 175.338 1.053 19849 222 1 1 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.033 0.410 19849 223 1 1 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.796 0.107 19849 224 1 1 . 1 1 41 41 GLN H H 41 8.219 8.219 7.853 0.366 19849 225 1 1 . 1 1 42 42 PHE N N 42 113.224 113.224 115.177 -1.953 19849 226 1 1 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.747 -0.221 19849 227 1 1 . 1 1 42 42 PHE C C 42 175.064 175.064 174.905 0.159 19849 228 1 1 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.401 -0.262 19849 229 1 1 . 1 1 42 42 PHE CB C 42 37.636 37.636 39.212 -1.576 19849 230 1 1 . 1 1 42 42 PHE H H 42 6.894 6.894 7.665 -0.771 19849 231 1 1 . 1 1 43 43 GLU N N 43 121.136 121.136 122.021 -0.885 19849 232 1 1 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.393 -0.426 19849 233 1 1 . 1 1 43 43 GLU CA C 43 58.361 58.361 55.312 3.049 19849 234 1 1 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.449 0.785 19849 235 1 1 . 1 1 43 43 GLU H H 43 7.469 7.469 7.424 0.045 19849 236 1 1 . 1 1 44 44 GLY N N 44 114.819 114.819 115.886 -1.067 19849 237 1 1 . 1 1 44 44 GLY C C 44 174.101 174.101 174.639 -0.538 19849 238 1 1 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.304 -0.680 19849 239 1 1 . 1 1 44 44 GLY H H 44 9.014 9.014 8.495 0.519 19849 240 1 1 . 1 1 45 45 LYS N N 45 118.678 118.678 119.160 -0.482 19849 241 1 1 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.527 0.162 19849 242 1 1 . 1 1 45 45 LYS C C 45 177.858 177.858 176.056 1.802 19849 243 1 1 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.896 -1.335 19849 244 1 1 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.646 -1.205 19849 245 1 1 . 1 1 45 45 LYS H H 45 7.932 7.932 7.368 0.564 19849 246 1 1 . 1 1 46 46 ARG N N 46 125.430 125.430 121.170 4.260 19849 247 1 1 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.431 -0.138 19849 248 1 1 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.179 0.600 19849 249 1 1 . 1 1 46 46 ARG H H 46 9.288 9.288 8.579 0.709 19849 250 1 1 . 1 1 47 47 LEU N N 47 124.205 124.205 124.912 -0.707 19849 251 1 1 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.663 0.039 19849 252 1 1 . 1 1 47 47 LEU C C 47 178.476 178.476 178.319 0.157 19849 253 1 1 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.505 2.184 19849 254 1 1 . 1 1 47 47 LEU H H 47 8.320 8.320 8.927 -0.607 19849 255 1 1 . 1 1 48 48 LEU N N 48 115.874 115.874 117.350 -1.476 19849 256 1 1 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.141 -0.369 19849 257 1 1 . 1 1 48 48 LEU C C 48 179.985 179.985 179.170 0.815 19849 258 1 1 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.561 1.062 19849 259 1 1 . 1 1 48 48 LEU H H 48 8.587 8.587 7.920 0.667 19849 260 1 1 . 1 1 49 49 GLU N N 49 118.216 118.216 118.761 -0.545 19849 261 1 1 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.102 0.006 19849 262 1 1 . 1 1 49 49 GLU C C 49 177.944 177.944 179.354 -1.410 19849 263 1 1 . 1 1 49 49 GLU CA C 49 58.418 58.418 58.691 -0.272 19849 264 1 1 . 1 1 49 49 GLU H H 49 6.964 6.964 8.011 -1.047 19849 265 1 1 . 1 1 50 50 ARG N N 50 119.674 119.674 119.794 -0.120 19849 266 1 1 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.239 -0.322 19849 267 1 1 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.776 -0.702 19849 268 1 1 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.002 -0.991 19849 269 1 1 . 1 1 50 50 ARG H H 50 7.991 7.991 8.224 -0.233 19849 270 1 1 . 1 1 51 51 HIS N N 51 117.056 117.056 117.486 -0.430 19849 271 1 1 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.433 -0.437 19849 272 1 1 . 1 1 51 51 HIS C C 51 176.638 176.638 177.774 -1.136 19849 273 1 1 . 1 1 51 51 HIS H H 51 8.294 8.294 7.611 0.683 19849 274 1 1 . 1 1 52 52 ARG N N 52 120.626 120.626 120.305 0.321 19849 275 1 1 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.168 0.050 19849 276 1 1 . 1 1 52 52 ARG C C 52 179.014 179.014 177.544 1.470 19849 277 1 1 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.585 1.407 19849 278 1 1 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.030 -0.471 19849 279 1 1 . 1 1 52 52 ARG H H 52 8.001 8.001 7.982 0.019 19849 280 1 1 . 1 1 53 53 MET N N 53 119.087 119.087 117.747 1.340 19849 281 1 1 . 1 1 53 53 MET HA H 53 4.006 4.006 4.515 -0.509 19849 282 1 1 . 1 1 53 53 MET C C 53 179.286 179.286 178.225 1.061 19849 283 1 1 . 1 1 53 53 MET CA C 53 59.404 59.404 56.895 2.509 19849 284 1 1 . 1 1 53 53 MET CB C 53 34.976 34.976 32.830 2.146 19849 285 1 1 . 1 1 53 53 MET H H 53 8.162 8.162 7.696 0.466 19849 286 1 1 . 1 1 54 54 VAL N N 54 120.886 120.886 120.315 0.571 19849 287 1 1 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.690 -0.265 19849 288 1 1 . 1 1 54 54 VAL C C 54 176.296 176.296 177.908 -1.612 19849 289 1 1 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.712 0.121 19849 290 1 1 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.335 -0.891 19849 291 1 1 . 1 1 54 54 VAL H H 54 7.790 7.790 8.122 -0.332 19849 292 1 1 . 1 1 55 55 ASN N N 55 116.881 116.881 118.504 -1.623 19849 293 1 1 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.593 -0.580 19849 294 1 1 . 1 1 55 55 ASN C C 55 178.422 178.422 176.897 1.525 19849 295 1 1 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.335 1.794 19849 296 1 1 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.447 0.420 19849 297 1 1 . 1 1 55 55 ASN H H 55 8.032 8.032 8.481 -0.449 19849 298 1 1 . 1 1 56 56 ALA N N 56 121.164 121.164 121.842 -0.678 19849 299 1 1 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.115 -0.032 19849 300 1 1 . 1 1 56 56 ALA C C 56 180.700 180.700 178.381 2.319 19849 301 1 1 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.619 -0.019 19849 302 1 1 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.392 -0.130 19849 303 1 1 . 1 1 56 56 ALA H H 56 8.578 8.578 7.697 0.881 19849 304 1 1 . 1 1 57 57 ALA N N 57 121.156 121.156 118.151 3.005 19849 305 1 1 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.302 -0.270 19849 306 1 1 . 1 1 57 57 ALA C C 57 177.240 177.240 177.003 0.237 19849 307 1 1 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.273 0.814 19849 308 1 1 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.537 -1.075 19849 309 1 1 . 1 1 57 57 ALA H H 57 7.609 7.609 7.450 0.159 19849 310 1 1 . 1 1 58 58 LEU N N 58 116.065 116.065 115.765 0.300 19849 311 1 1 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.559 0.336 19849 312 1 1 . 1 1 58 58 LEU C C 58 176.446 176.446 177.422 -0.976 19849 313 1 1 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.949 -2.428 19849 314 1 1 . 1 1 58 58 LEU CB C 58 42.753 42.753 43.008 -0.255 19849 315 1 1 . 1 1 58 58 LEU H H 58 6.995 6.995 7.445 -0.450 19849 316 1 1 . 1 1 59 59 GLU N N 59 120.288 120.288 122.028 -1.740 19849 317 1 1 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.007 -0.233 19849 318 1 1 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.246 0.490 19849 319 1 1 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.468 0.539 19849 320 1 1 . 1 1 59 59 GLU H H 59 7.034 7.034 8.316 -1.282 19849 321 1 1 . 1 1 60 60 GLU N N 60 116.322 116.322 118.179 -1.857 19849 322 1 1 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.007 0.023 19849 323 1 1 . 1 1 60 60 GLU C C 60 179.270 179.270 178.719 0.551 19849 324 1 1 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.161 -0.468 19849 325 1 1 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.663 0.653 19849 326 1 1 . 1 1 60 60 GLU H H 60 8.622 8.622 8.676 -0.054 19849 327 1 1 . 1 1 61 61 GLU N N 61 121.506 121.506 119.616 1.890 19849 328 1 1 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.116 -0.226 19849 329 1 1 . 1 1 61 61 GLU C C 61 179.010 179.010 178.303 0.707 19849 330 1 1 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.153 1.810 19849 331 1 1 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.084 -0.609 19849 332 1 1 . 1 1 61 61 GLU H H 61 8.946 8.946 8.030 0.916 19849 333 1 1 . 1 1 62 62 MET N N 62 116.213 116.213 118.065 -1.852 19849 334 1 1 . 1 1 62 62 MET HA H 62 4.312 4.312 4.226 0.086 19849 335 1 1 . 1 1 62 62 MET CA C 62 56.302 56.302 58.630 -2.328 19849 336 1 1 . 1 1 62 62 MET CB C 62 30.553 30.553 32.706 -2.153 19849 337 1 1 . 1 1 62 62 MET H H 62 8.693 8.693 8.082 0.611 19849 338 1 1 . 1 1 63 63 LYS N N 63 116.969 116.969 114.997 1.972 19849 339 1 1 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.208 -0.123 19849 340 1 1 . 1 1 63 63 LYS C C 63 177.541 177.541 177.889 -0.348 19849 341 1 1 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.733 0.995 19849 342 1 1 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.163 0.362 19849 343 1 1 . 1 1 63 63 LYS H H 63 7.470 7.470 7.643 -0.173 19849 344 1 1 . 1 1 64 64 GLU N N 64 115.556 115.556 117.568 -2.012 19849 345 1 1 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.308 0.157 19849 346 1 1 . 1 1 64 64 GLU C C 64 175.679 175.679 176.913 -1.234 19849 347 1 1 . 1 1 64 64 GLU CA C 64 55.603 55.603 57.013 -1.409 19849 348 1 1 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.800 0.470 19849 349 1 1 . 1 1 64 64 GLU H H 64 7.773 7.773 7.752 0.021 19849 350 1 1 . 1 1 65 65 ILE N N 65 120.461 120.461 115.214 5.247 19849 351 1 1 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.431 -0.352 19849 352 1 1 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.642 2.066 19849 353 1 1 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.229 -0.147 19849 354 1 1 . 1 1 65 65 ILE H H 65 7.502 7.502 7.567 -0.065 19849 355 1 1 . 1 1 66 66 HIS N N 66 125.683 125.683 118.144 7.539 19849 356 1 1 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.516 0.029 19849 357 1 1 . 1 1 66 66 HIS CA C 66 57.683 57.683 57.365 0.318 19849 358 1 1 . 1 1 66 66 HIS CB C 66 30.277 30.277 30.990 -0.713 19849 359 1 1 . 1 1 66 66 HIS H H 66 9.196 9.196 8.235 0.961 19849 360 1 1 . 1 1 67 67 ALA N N 67 120.229 120.229 118.351 1.878 19849 361 1 1 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.452 -0.028 19849 362 1 1 . 1 1 67 67 ALA C C 67 173.834 173.834 174.881 -1.047 19849 363 1 1 . 1 1 67 67 ALA CA C 67 52.149 52.149 51.824 0.325 19849 364 1 1 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.923 0.518 19849 365 1 1 . 1 1 67 67 ALA H H 67 7.493 7.493 7.785 -0.292 19849 366 1 1 . 1 1 68 68 LEU N N 68 124.546 124.546 121.902 2.644 19849 367 1 1 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.263 -0.269 19849 368 1 1 . 1 1 68 68 LEU C C 68 175.157 175.157 176.107 -0.950 19849 369 1 1 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.082 -0.891 19849 370 1 1 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.355 -0.587 19849 371 1 1 . 1 1 68 68 LEU H H 68 8.557 8.557 8.639 -0.082 19849 372 1 1 . 1 1 69 69 SER N N 69 122.077 122.077 121.637 0.440 19849 373 1 1 . 1 1 69 69 SER HA H 69 4.677 4.677 4.740 -0.063 19849 374 1 1 . 1 1 69 69 SER C C 69 173.548 173.548 173.413 0.135 19849 375 1 1 . 1 1 69 69 SER CA C 69 55.803 55.803 57.585 -1.782 19849 376 1 1 . 1 1 69 69 SER CB C 69 63.549 63.549 64.208 -0.659 19849 377 1 1 . 1 1 69 69 SER H H 69 8.854 8.854 9.047 -0.193 19849 378 1 1 . 1 1 70 70 ILE N N 70 129.143 129.143 128.384 0.759 19849 379 1 1 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.364 -0.258 19849 380 1 1 . 1 1 70 70 ILE C C 70 175.059 175.059 175.434 -0.375 19849 381 1 1 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.638 -0.005 19849 382 1 1 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.646 -1.219 19849 383 1 1 . 1 1 70 70 ILE H H 70 8.922 8.922 8.858 0.064 19849 384 1 1 . 1 1 71 71 LYS N N 71 130.019 130.019 126.018 4.001 19849 385 1 1 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.130 -0.058 19849 386 1 1 . 1 1 71 71 LYS C C 71 177.201 177.201 177.106 0.095 19849 387 1 1 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.560 0.377 19849 388 1 1 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.516 0.910 19849 389 1 1 . 1 1 71 71 LYS H H 71 8.676 8.676 8.292 0.384 19849 390 1 1 . 1 1 72 72 LYS N N 72 113.659 113.659 119.485 -5.826 19849 391 1 1 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.534 -0.059 19849 392 1 1 . 1 1 72 72 LYS C C 72 174.013 174.013 174.032 -0.019 19849 393 1 1 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.758 0.206 19849 394 1 1 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.550 2.144 19849 395 1 1 . 1 1 72 72 LYS H H 72 7.195 7.195 7.436 -0.241 19849 396 1 1 . 1 1 73 73 ALA N N 73 129.019 129.019 129.068 -0.049 19849 397 1 1 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.634 0.568 19849 398 1 1 . 1 1 73 73 ALA C C 73 175.410 175.410 175.586 -0.176 19849 399 1 1 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.296 0.652 19849 400 1 1 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.527 -1.839 19849 401 1 1 . 1 1 73 73 ALA H H 73 8.847 8.847 8.742 0.105 19849 402 1 1 . 1 1 74 74 GLN N N 74 120.993 120.993 123.262 -2.269 19849 403 1 1 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.754 0.092 19849 404 1 1 . 1 1 74 74 GLN C C 74 175.603 175.603 174.285 1.318 19849 405 1 1 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.326 0.447 19849 406 1 1 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.260 0.695 19849 407 1 1 . 1 1 74 74 GLN H H 74 8.398 8.398 8.258 0.140 19849 408 1 1 . 1 1 75 75 THR N N 75 111.917 111.917 113.343 -1.426 19849 409 1 1 . 1 1 75 75 THR HA H 75 4.866 4.866 4.775 0.091 19849 410 1 1 . 1 1 75 75 THR CA C 75 59.600 59.600 58.385 1.215 19849 411 1 1 . 1 1 75 75 THR H H 75 8.920 8.920 8.540 0.380 19849 412 1 1 . 1 1 76 76 PRO C C 76 177.659 177.659 177.326 0.333 19849 413 1 1 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.343 1.100 19849 414 1 1 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.382 0.494 19849 415 1 1 . 1 1 77 77 GLN N N 77 114.329 114.329 117.822 -3.493 19849 416 1 1 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.207 -0.141 19849 417 1 1 . 1 1 77 77 GLN C C 77 177.630 177.630 177.479 0.151 19849 418 1 1 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.545 0.107 19849 419 1 1 . 1 1 77 77 GLN CB C 77 28.238 28.238 28.019 0.219 19849 420 1 1 . 1 1 77 77 GLN H H 77 8.481 8.481 8.241 0.240 19849 421 1 1 . 1 1 78 78 GLN N N 78 116.831 116.831 117.908 -1.077 19849 422 1 1 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.352 -0.259 19849 423 1 1 . 1 1 78 78 GLN C C 78 176.403 176.403 177.734 -1.331 19849 424 1 1 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.415 -0.122 19849 425 1 1 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.551 1.423 19849 426 1 1 . 1 1 78 78 GLN H H 78 7.503 7.503 7.982 -0.479 19849 427 1 1 . 1 1 79 79 TRP N N 79 120.561 120.561 120.751 -0.190 19849 428 1 1 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.344 0.043 19849 429 1 1 . 1 1 79 79 TRP C C 79 175.429 175.429 176.199 -0.770 19849 430 1 1 . 1 1 79 79 TRP CA C 79 58.561 58.561 60.228 -1.667 19849 431 1 1 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.923 0.991 19849 432 1 1 . 1 1 79 79 TRP H H 79 7.668 7.668 8.528 -0.860 19849 433 1 1 . 1 1 80 80 LYS N N 80 120.883 120.883 113.424 7.459 19849 434 1 1 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.175 0.025 19849 435 1 1 . 1 1 80 80 LYS CA C 80 53.038 53.038 56.746 -3.708 19849 436 1 1 . 1 1 80 80 LYS H H 80 7.768 7.768 7.644 0.124 19849 437 1 1 . 1 1 82 82 PRO C C 82 176.919 176.919 175.798 1.121 19849 438 1 1 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.755 -0.815 19849 439 1 1 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.834 0.193 19849 440 1 1 . 1 1 83 83 SER N N 83 115.592 115.592 117.364 -1.772 19849 441 1 1 . 1 1 83 83 SER HA H 83 4.315 4.315 4.638 -0.323 19849 442 1 1 . 1 1 83 83 SER C C 83 174.665 174.665 174.115 0.550 19849 443 1 1 . 1 1 83 83 SER CA C 83 58.162 58.162 58.263 -0.101 19849 444 1 1 . 1 1 83 83 SER CB C 83 63.831 63.831 64.126 -0.295 19849 445 1 1 . 1 1 83 83 SER H H 83 8.264 8.264 8.411 -0.147 19849 446 1 1 . 1 1 84 84 GLN N N 84 122.131 122.131 119.467 2.664 19849 447 1 1 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.456 -0.167 19849 448 1 1 . 1 1 84 84 GLN C C 84 175.598 175.598 176.391 -0.793 19849 449 1 1 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.967 -1.115 19849 450 1 1 . 1 1 84 84 GLN CB C 84 29.619 29.619 28.984 0.635 19849 451 1 1 . 1 1 84 84 GLN H H 84 8.430 8.430 7.859 0.571 19849 452 1 1 . 1 1 85 85 ASP N N 85 121.550 121.550 120.578 0.972 19849 453 1 1 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.512 0.022 19849 454 1 1 . 1 1 85 85 ASP C C 85 176.431 176.431 177.755 -1.324 19849 455 1 1 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.451 -2.027 19849 456 1 1 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.466 0.804 19849 457 1 1 . 1 1 85 85 ASP H H 85 8.307 8.307 8.655 -0.348 19849 458 1 1 . 1 1 86 86 SER N N 86 116.617 116.617 114.746 1.871 19849 459 1 1 . 1 1 86 86 SER HA H 86 4.316 4.316 4.166 0.150 19849 460 1 1 . 1 1 86 86 SER C C 86 174.590 174.590 176.132 -1.542 19849 461 1 1 . 1 1 86 86 SER CA C 86 58.797 58.797 60.580 -1.783 19849 462 1 1 . 1 1 86 86 SER CB C 86 63.667 63.667 62.951 0.716 19849 463 1 1 . 1 1 86 86 SER H H 86 8.231 8.231 7.922 0.309 19849 464 1 1 . 1 1 87 87 ALA N N 87 125.663 125.663 122.214 3.449 19849 465 1 1 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.369 -0.079 19849 466 1 1 . 1 1 87 87 ALA C C 87 178.018 178.018 177.760 0.258 19849 467 1 1 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.633 0.319 19849 468 1 1 . 1 1 87 87 ALA CB C 87 19.117 19.117 17.682 1.435 19849 469 1 1 . 1 1 87 87 ALA H H 87 8.312 8.312 8.418 -0.106 19849 470 1 1 . 1 1 88 88 THR N N 88 112.987 112.987 114.842 -1.855 19849 471 1 1 . 1 1 88 88 THR HA H 88 4.221 4.221 4.240 -0.019 19849 472 1 1 . 1 1 88 88 THR C C 88 174.488 174.488 175.034 -0.546 19849 473 1 1 . 1 1 88 88 THR CA C 88 62.115 62.115 63.594 -1.479 19849 474 1 1 . 1 1 88 88 THR CB C 88 69.626 69.626 69.706 -0.079 19849 475 1 1 . 1 1 88 88 THR H H 88 7.997 7.997 7.392 0.605 19849 476 1 1 . 1 1 89 89 LEU N N 89 124.655 124.655 116.655 8.000 19849 477 1 1 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.241 0.115 19849 478 1 1 . 1 1 89 89 LEU C C 89 177.367 177.367 177.088 0.279 19849 479 1 1 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.964 -0.701 19849 480 1 1 . 1 1 89 89 LEU CB C 89 42.492 42.492 40.352 2.140 19849 481 1 1 . 1 1 89 89 LEU H H 89 8.119 8.119 7.830 0.289 19849 482 1 1 . 1 1 90 90 THR N N 90 115.527 115.527 110.266 5.261 19849 483 1 1 . 1 1 90 90 THR HA H 90 4.261 4.261 4.256 0.005 19849 484 1 1 . 1 1 90 90 THR CA C 90 61.707 61.707 63.622 -1.915 19849 485 1 1 . 1 1 90 90 THR CB C 90 69.825 69.825 69.392 0.433 19849 486 1 1 . 1 1 90 90 THR H H 90 8.086 8.086 8.420 -0.334 19849 487 1 1 . 1 1 91 91 LYS N N 91 123.923 123.923 118.377 5.546 19849 488 1 1 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.449 -0.156 19849 489 1 1 . 1 1 91 91 LYS C C 91 175.949 175.949 175.553 0.396 19849 490 1 1 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.186 -0.022 19849 491 1 1 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.718 -0.459 19849 492 1 1 . 1 1 91 91 LYS H H 91 8.272 8.272 7.679 0.593 19849 493 1 1 . 1 1 92 92 ASP N N 92 122.237 122.237 119.815 2.422 19849 494 1 1 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.257 0.253 19849 495 1 1 . 1 1 92 92 ASP C C 92 174.733 174.733 174.756 -0.023 19849 496 1 1 . 1 1 92 92 ASP CA C 92 54.535 54.535 56.836 -2.301 19849 497 1 1 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.480 0.631 19849 498 1 1 . 1 1 92 92 ASP H H 92 8.340 8.340 8.547 -0.207 19849 499 1 2 . 1 1 2 2 VAL N N 2 120.462 120.462 126.386 -5.924 19849 500 1 2 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.674 -0.166 19849 501 1 2 . 1 1 2 2 VAL C C 2 174.797 174.797 173.569 1.228 19849 502 1 2 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.111 0.174 19849 503 1 2 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.694 -1.873 19849 504 1 2 . 1 1 2 2 VAL H H 2 8.729 8.729 9.132 -0.403 19849 505 1 2 . 1 1 3 3 THR N N 3 113.531 113.531 118.685 -5.154 19849 506 1 2 . 1 1 3 3 THR HA H 3 4.794 4.794 4.762 0.032 19849 507 1 2 . 1 1 3 3 THR C C 3 175.419 175.419 174.967 0.452 19849 508 1 2 . 1 1 3 3 THR CA C 3 59.466 59.466 59.818 -0.352 19849 509 1 2 . 1 1 3 3 THR H H 3 7.740 7.740 8.270 -0.530 19849 510 1 2 . 1 1 4 4 LYS N N 4 121.981 121.981 125.609 -3.628 19849 511 1 2 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.738 -0.301 19849 512 1 2 . 1 1 4 4 LYS C C 4 177.186 177.186 177.690 -0.504 19849 513 1 2 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.372 1.344 19849 514 1 2 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.535 0.675 19849 515 1 2 . 1 1 4 4 LYS H H 4 9.168 9.168 8.923 0.245 19849 516 1 2 . 1 1 5 5 GLU N N 5 117.723 117.723 118.236 -0.513 19849 517 1 2 . 1 1 5 5 GLU HA H 5 4.052 4.052 3.998 0.054 19849 518 1 2 . 1 1 5 5 GLU C C 5 179.351 179.351 178.461 0.890 19849 519 1 2 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.049 1.459 19849 520 1 2 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.569 -1.175 19849 521 1 2 . 1 1 5 5 GLU H H 5 8.835 8.835 7.914 0.921 19849 522 1 2 . 1 1 6 6 GLN N N 6 122.133 122.133 117.950 4.183 19849 523 1 2 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.176 -0.167 19849 524 1 2 . 1 1 6 6 GLN C C 6 178.109 178.109 177.762 0.347 19849 525 1 2 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.299 0.579 19849 526 1 2 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.175 0.698 19849 527 1 2 . 1 1 6 6 GLN H H 6 7.867 7.867 7.568 0.299 19849 528 1 2 . 1 1 7 7 VAL N N 7 120.130 120.130 120.903 -0.773 19849 529 1 2 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.601 -0.464 19849 530 1 2 . 1 1 7 7 VAL C C 7 177.807 177.807 178.123 -0.316 19849 531 1 2 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.113 0.400 19849 532 1 2 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.587 0.654 19849 533 1 2 . 1 1 7 7 VAL H H 7 7.447 7.447 7.329 0.118 19849 534 1 2 . 1 1 8 8 GLU N N 8 117.342 117.342 119.952 -2.610 19849 535 1 2 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.989 -0.419 19849 536 1 2 . 1 1 8 8 GLU C C 8 174.166 174.166 178.685 -4.519 19849 537 1 2 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.546 0.153 19849 538 1 2 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.039 0.805 19849 539 1 2 . 1 1 8 8 GLU H H 8 8.529 8.529 7.988 0.541 19849 540 1 2 . 1 1 9 9 ALA N N 9 124.344 124.344 121.621 2.723 19849 541 1 2 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.093 0.327 19849 542 1 2 . 1 1 9 9 ALA C C 9 177.996 177.996 179.505 -1.509 19849 543 1 2 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.940 0.583 19849 544 1 2 . 1 1 9 9 ALA H H 9 8.301 8.301 7.591 0.710 19849 545 1 2 . 1 1 10 10 SER N N 10 117.198 117.198 116.023 1.175 19849 546 1 2 . 1 1 10 10 SER HA H 10 4.374 4.374 4.234 0.140 19849 547 1 2 . 1 1 10 10 SER C C 10 175.219 175.219 176.639 -1.420 19849 548 1 2 . 1 1 10 10 SER CA C 10 62.207 62.207 61.904 0.303 19849 549 1 2 . 1 1 10 10 SER H H 10 8.303 8.303 8.084 0.219 19849 550 1 2 . 1 1 11 11 LEU N N 11 118.287 118.287 121.588 -3.301 19849 551 1 2 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.134 -0.320 19849 552 1 2 . 1 1 11 11 LEU C C 11 179.247 179.247 178.850 0.397 19849 553 1 2 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.613 0.596 19849 554 1 2 . 1 1 11 11 LEU CB C 11 42.528 42.528 40.985 1.543 19849 555 1 2 . 1 1 11 11 LEU H H 11 7.973 7.973 8.177 -0.204 19849 556 1 2 . 1 1 12 12 THR N N 12 116.416 116.416 113.816 2.600 19849 557 1 2 . 1 1 12 12 THR HA H 12 3.530 3.530 4.052 -0.522 19849 558 1 2 . 1 1 12 12 THR C C 12 176.464 176.464 176.139 0.325 19849 559 1 2 . 1 1 12 12 THR CA C 12 67.016 67.016 66.286 0.730 19849 560 1 2 . 1 1 12 12 THR CB C 12 68.586 68.586 68.117 0.469 19849 561 1 2 . 1 1 12 12 THR H H 12 8.440 8.440 8.004 0.436 19849 562 1 2 . 1 1 13 13 SER N N 13 115.144 115.144 117.120 -1.976 19849 563 1 2 . 1 1 13 13 SER HA H 13 4.105 4.105 4.407 -0.302 19849 564 1 2 . 1 1 13 13 SER C C 13 176.285 176.285 175.658 0.627 19849 565 1 2 . 1 1 13 13 SER CA C 13 61.032 61.032 61.033 -0.001 19849 566 1 2 . 1 1 13 13 SER CB C 13 63.045 63.045 63.566 -0.522 19849 567 1 2 . 1 1 13 13 SER H H 13 8.022 8.022 7.501 0.521 19849 568 1 2 . 1 1 14 14 LYS N N 14 116.028 116.028 120.379 -4.351 19849 569 1 2 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.232 0.078 19849 570 1 2 . 1 1 14 14 LYS C C 14 178.041 178.041 177.568 0.473 19849 571 1 2 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.457 -0.615 19849 572 1 2 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.373 0.484 19849 573 1 2 . 1 1 14 14 LYS H H 14 7.466 7.466 7.741 -0.275 19849 574 1 2 . 1 1 15 15 LEU N N 15 114.405 114.405 117.363 -2.958 19849 575 1 2 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.428 -0.009 19849 576 1 2 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.423 0.501 19849 577 1 2 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.599 -1.239 19849 578 1 2 . 1 1 15 15 LEU H H 15 7.842 7.842 7.982 -0.140 19849 579 1 2 . 1 1 16 16 LYS N N 16 116.513 116.513 116.753 -0.240 19849 580 1 2 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.206 -0.086 19849 581 1 2 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.443 -0.146 19849 582 1 2 . 1 1 16 16 LYS H H 16 7.421 7.421 7.438 -0.017 19849 583 1 2 . 1 1 17 17 PRO C C 17 177.159 177.159 175.471 1.688 19849 584 1 2 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.397 -0.502 19849 585 1 2 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.381 2.926 19849 586 1 2 . 1 1 18 18 ILE N N 18 116.671 116.671 120.677 -4.006 19849 587 1 2 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.141 0.153 19849 588 1 2 . 1 1 18 18 ILE C C 18 175.085 175.085 176.505 -1.420 19849 589 1 2 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.960 -0.933 19849 590 1 2 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.189 0.827 19849 591 1 2 . 1 1 18 18 ILE H H 18 7.917 7.917 8.013 -0.096 19849 592 1 2 . 1 1 19 19 HIS N N 19 117.574 117.574 119.031 -1.457 19849 593 1 2 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.713 -0.271 19849 594 1 2 . 1 1 19 19 HIS C C 19 171.727 171.727 173.037 -1.310 19849 595 1 2 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.325 1.049 19849 596 1 2 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.027 1.532 19849 597 1 2 . 1 1 19 19 HIS H H 19 6.968 6.968 7.865 -0.897 19849 598 1 2 . 1 1 20 20 LEU N N 20 128.803 128.803 127.772 1.031 19849 599 1 2 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.038 -0.232 19849 600 1 2 . 1 1 20 20 LEU C C 20 173.636 173.636 175.395 -1.759 19849 601 1 2 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.232 -0.808 19849 602 1 2 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.735 0.829 19849 603 1 2 . 1 1 20 20 LEU H H 20 7.928 7.928 8.330 -0.402 19849 604 1 2 . 1 1 21 21 GLU N N 21 125.639 125.639 126.434 -0.795 19849 605 1 2 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.582 -0.072 19849 606 1 2 . 1 1 21 21 GLU C C 21 174.143 174.143 174.825 -0.682 19849 607 1 2 . 1 1 21 21 GLU CA C 21 55.709 55.709 54.755 0.954 19849 608 1 2 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.413 2.180 19849 609 1 2 . 1 1 21 21 GLU H H 21 8.703 8.703 8.440 0.263 19849 610 1 2 . 1 1 22 22 VAL N N 22 126.675 126.675 123.928 2.747 19849 611 1 2 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.844 -0.227 19849 612 1 2 . 1 1 22 22 VAL C C 22 173.843 173.843 175.975 -2.132 19849 613 1 2 . 1 1 22 22 VAL CA C 22 61.359 61.359 61.215 0.144 19849 614 1 2 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.654 1.017 19849 615 1 2 . 1 1 22 22 VAL H H 22 8.936 8.936 8.336 0.600 19849 616 1 2 . 1 1 23 23 ILE N N 23 126.078 126.078 127.795 -1.717 19849 617 1 2 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.367 0.106 19849 618 1 2 . 1 1 23 23 ILE C C 23 175.007 175.007 175.130 -0.123 19849 619 1 2 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.858 -0.412 19849 620 1 2 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.469 2.768 19849 621 1 2 . 1 1 23 23 ILE H H 23 9.099 9.099 8.560 0.539 19849 622 1 2 . 1 1 24 24 ASP N N 24 127.026 127.026 128.218 -1.192 19849 623 1 2 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.626 -0.016 19849 624 1 2 . 1 1 24 24 ASP C C 24 176.888 176.888 176.273 0.615 19849 625 1 2 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.144 -1.280 19849 626 1 2 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.332 -0.300 19849 627 1 2 . 1 1 24 24 ASP H H 24 9.152 9.152 8.704 0.448 19849 628 1 2 . 1 1 25 25 ILE N N 25 123.148 123.148 125.609 -2.461 19849 629 1 2 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.313 0.279 19849 630 1 2 . 1 1 25 25 ILE C C 25 175.765 175.765 175.361 0.404 19849 631 1 2 . 1 1 25 25 ILE CA C 25 61.112 61.112 60.888 0.224 19849 632 1 2 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.851 -1.938 19849 633 1 2 . 1 1 25 25 ILE H H 25 7.915 7.915 7.595 0.320 19849 634 1 2 . 1 1 26 26 SER N N 26 119.373 119.373 114.428 4.945 19849 635 1 2 . 1 1 26 26 SER HA H 26 4.520 4.520 4.474 0.046 19849 636 1 2 . 1 1 26 26 SER C C 26 175.488 175.488 173.866 1.622 19849 637 1 2 . 1 1 26 26 SER CA C 26 58.030 58.030 58.390 -0.360 19849 638 1 2 . 1 1 26 26 SER CB C 26 64.605 64.605 64.695 -0.090 19849 639 1 2 . 1 1 26 26 SER H H 26 9.175 9.175 8.406 0.769 19849 640 1 2 . 1 1 27 27 GLY N N 27 111.902 111.902 109.597 2.305 19849 641 1 2 . 1 1 27 27 GLY C C 27 175.418 175.418 173.674 1.744 19849 642 1 2 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.229 1.206 19849 643 1 2 . 1 1 27 27 GLY H H 27 8.417 8.417 8.658 -0.241 19849 644 1 2 . 1 1 28 28 GLY N N 28 106.936 106.936 109.360 -2.424 19849 645 1 2 . 1 1 28 28 GLY C C 28 177.627 177.627 174.609 3.018 19849 646 1 2 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.309 0.319 19849 647 1 2 . 1 1 28 28 GLY H H 28 7.864 7.864 8.253 -0.389 19849 648 1 2 . 1 1 29 29 CYS N N 29 116.829 116.829 118.602 -1.773 19849 649 1 2 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.701 -0.338 19849 650 1 2 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.417 0.023 19849 651 1 2 . 1 1 29 29 CYS CB C 29 27.858 27.858 29.033 -1.175 19849 652 1 2 . 1 1 29 29 CYS H H 29 7.380 7.380 8.061 -0.681 19849 653 1 2 . 1 1 30 30 GLY N N 30 111.626 111.626 108.021 3.605 19849 654 1 2 . 1 1 30 30 GLY C C 30 173.383 173.383 174.644 -1.261 19849 655 1 2 . 1 1 30 30 GLY CA C 30 46.086 46.086 45.281 0.805 19849 656 1 2 . 1 1 30 30 GLY H H 30 8.965 8.965 8.040 0.925 19849 657 1 2 . 1 1 31 31 SER N N 31 111.735 111.735 118.372 -6.637 19849 658 1 2 . 1 1 31 31 SER HA H 31 4.639 4.639 4.267 0.372 19849 659 1 2 . 1 1 31 31 SER C C 31 174.246 174.246 173.774 0.472 19849 660 1 2 . 1 1 31 31 SER CA C 31 58.203 58.203 59.400 -1.197 19849 661 1 2 . 1 1 31 31 SER CB C 31 64.459 64.459 63.241 1.218 19849 662 1 2 . 1 1 31 31 SER H H 31 8.220 8.220 8.039 0.181 19849 663 1 2 . 1 1 32 32 SER N N 32 116.259 116.259 120.902 -4.643 19849 664 1 2 . 1 1 32 32 SER HA H 32 5.346 5.346 4.947 0.399 19849 665 1 2 . 1 1 32 32 SER C C 32 176.363 176.363 172.611 3.752 19849 666 1 2 . 1 1 32 32 SER CA C 32 57.400 57.400 57.222 0.178 19849 667 1 2 . 1 1 32 32 SER CB C 32 62.866 62.866 64.586 -1.720 19849 668 1 2 . 1 1 32 32 SER H H 32 7.253 7.253 7.770 -0.517 19849 669 1 2 . 1 1 33 33 PHE N N 33 118.533 118.533 123.323 -4.790 19849 670 1 2 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.977 0.679 19849 671 1 2 . 1 1 33 33 PHE C C 33 174.163 174.163 175.141 -0.978 19849 672 1 2 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.577 -0.195 19849 673 1 2 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.881 2.569 19849 674 1 2 . 1 1 33 33 PHE H H 33 7.995 7.995 9.241 -1.246 19849 675 1 2 . 1 1 34 34 GLU N N 34 122.301 122.301 123.492 -1.191 19849 676 1 2 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.926 0.634 19849 677 1 2 . 1 1 34 34 GLU C C 34 175.902 175.902 175.474 0.428 19849 678 1 2 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.377 -1.001 19849 679 1 2 . 1 1 34 34 GLU CB C 34 33.543 33.543 31.459 2.084 19849 680 1 2 . 1 1 34 34 GLU H H 34 9.436 9.436 8.583 0.853 19849 681 1 2 . 1 1 35 35 VAL N N 35 118.350 118.350 126.210 -7.860 19849 682 1 2 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.337 1.032 19849 683 1 2 . 1 1 35 35 VAL C C 35 174.616 174.616 174.023 0.593 19849 684 1 2 . 1 1 35 35 VAL CA C 35 59.364 59.364 61.130 -1.766 19849 685 1 2 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.635 1.544 19849 686 1 2 . 1 1 35 35 VAL H H 35 8.784 8.784 8.531 0.253 19849 687 1 2 . 1 1 36 36 GLU N N 36 123.537 123.537 128.797 -5.260 19849 688 1 2 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.712 0.257 19849 689 1 2 . 1 1 36 36 GLU C C 36 174.745 174.745 174.913 -0.168 19849 690 1 2 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.950 0.241 19849 691 1 2 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.813 1.273 19849 692 1 2 . 1 1 36 36 GLU H H 36 8.859 8.859 8.609 0.250 19849 693 1 2 . 1 1 37 37 VAL N N 37 120.272 120.272 126.718 -6.446 19849 694 1 2 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.290 -0.678 19849 695 1 2 . 1 1 37 37 VAL C C 37 172.679 172.679 174.808 -2.129 19849 696 1 2 . 1 1 37 37 VAL CA C 37 60.290 60.290 59.880 0.410 19849 697 1 2 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.704 0.317 19849 698 1 2 . 1 1 37 37 VAL H H 37 8.497 8.497 8.739 -0.242 19849 699 1 2 . 1 1 38 38 VAL N N 38 127.971 127.971 127.042 0.929 19849 700 1 2 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.272 -0.015 19849 701 1 2 . 1 1 38 38 VAL C C 38 175.842 175.842 174.614 1.228 19849 702 1 2 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.722 -1.248 19849 703 1 2 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.453 0.662 19849 704 1 2 . 1 1 38 38 VAL H H 38 8.169 8.169 8.581 -0.412 19849 705 1 2 . 1 1 39 39 SER N N 39 117.426 117.426 119.861 -2.435 19849 706 1 2 . 1 1 39 39 SER HA H 39 4.821 4.821 4.683 0.138 19849 707 1 2 . 1 1 39 39 SER C C 39 175.323 175.323 174.040 1.283 19849 708 1 2 . 1 1 39 39 SER CA C 39 55.888 55.888 55.630 0.258 19849 709 1 2 . 1 1 39 39 SER CB C 39 64.183 64.183 65.638 -1.455 19849 710 1 2 . 1 1 39 39 SER H H 39 8.304 8.304 7.797 0.507 19849 711 1 2 . 1 1 40 40 GLU N N 40 131.571 131.571 122.583 8.988 19849 712 1 2 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.090 0.029 19849 713 1 2 . 1 1 40 40 GLU C C 40 177.887 177.887 177.043 0.844 19849 714 1 2 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.246 0.435 19849 715 1 2 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.102 0.528 19849 716 1 2 . 1 1 40 40 GLU H H 40 9.911 9.911 8.991 0.920 19849 717 1 2 . 1 1 41 41 GLN N N 41 117.534 117.534 117.733 -0.199 19849 718 1 2 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.145 -0.161 19849 719 1 2 . 1 1 41 41 GLN C C 41 176.391 176.391 175.366 1.025 19849 720 1 2 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.289 0.154 19849 721 1 2 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.970 -0.067 19849 722 1 2 . 1 1 41 41 GLN H H 41 8.219 8.219 7.877 0.342 19849 723 1 2 . 1 1 42 42 PHE N N 42 113.224 113.224 115.322 -2.098 19849 724 1 2 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.738 -0.212 19849 725 1 2 . 1 1 42 42 PHE C C 42 175.064 175.064 174.524 0.540 19849 726 1 2 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.402 -0.263 19849 727 1 2 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.852 -1.216 19849 728 1 2 . 1 1 42 42 PHE H H 42 6.894 6.894 7.761 -0.867 19849 729 1 2 . 1 1 43 43 GLU N N 43 121.136 121.136 121.556 -0.420 19849 730 1 2 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.363 -0.396 19849 731 1 2 . 1 1 43 43 GLU CA C 43 58.361 58.361 55.370 2.991 19849 732 1 2 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.764 0.470 19849 733 1 2 . 1 1 43 43 GLU H H 43 7.469 7.469 7.492 -0.023 19849 734 1 2 . 1 1 44 44 GLY N N 44 114.819 114.819 117.091 -2.272 19849 735 1 2 . 1 1 44 44 GLY C C 44 174.101 174.101 174.397 -0.296 19849 736 1 2 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.235 -0.610 19849 737 1 2 . 1 1 44 44 GLY H H 44 9.014 9.014 8.662 0.352 19849 738 1 2 . 1 1 45 45 LYS N N 45 118.678 118.678 119.535 -0.857 19849 739 1 2 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.631 0.058 19849 740 1 2 . 1 1 45 45 LYS C C 45 177.858 177.858 175.884 1.974 19849 741 1 2 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.796 -1.235 19849 742 1 2 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.075 -0.634 19849 743 1 2 . 1 1 45 45 LYS H H 45 7.932 7.932 7.474 0.458 19849 744 1 2 . 1 1 46 46 ARG N N 46 125.430 125.430 121.923 3.507 19849 745 1 2 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.475 -0.182 19849 746 1 2 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.586 0.193 19849 747 1 2 . 1 1 46 46 ARG H H 46 9.288 9.288 8.702 0.586 19849 748 1 2 . 1 1 47 47 LEU N N 47 124.205 124.205 126.493 -2.288 19849 749 1 2 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.891 -0.189 19849 750 1 2 . 1 1 47 47 LEU C C 47 178.476 178.476 177.668 0.808 19849 751 1 2 . 1 1 47 47 LEU CA C 47 60.689 60.689 57.873 2.816 19849 752 1 2 . 1 1 47 47 LEU H H 47 8.320 8.320 8.885 -0.565 19849 753 1 2 . 1 1 48 48 LEU N N 48 115.874 115.874 119.723 -3.849 19849 754 1 2 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.060 -0.288 19849 755 1 2 . 1 1 48 48 LEU C C 48 179.985 179.985 179.155 0.830 19849 756 1 2 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.221 0.402 19849 757 1 2 . 1 1 48 48 LEU H H 48 8.587 8.587 8.085 0.502 19849 758 1 2 . 1 1 49 49 GLU N N 49 118.216 118.216 117.933 0.283 19849 759 1 2 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.055 0.053 19849 760 1 2 . 1 1 49 49 GLU C C 49 177.944 177.944 179.224 -1.280 19849 761 1 2 . 1 1 49 49 GLU CA C 49 58.418 58.418 58.827 -0.409 19849 762 1 2 . 1 1 49 49 GLU H H 49 6.964 6.964 8.052 -1.088 19849 763 1 2 . 1 1 50 50 ARG N N 50 119.674 119.674 121.590 -1.916 19849 764 1 2 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.346 -0.429 19849 765 1 2 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.662 -0.588 19849 766 1 2 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.110 -1.099 19849 767 1 2 . 1 1 50 50 ARG H H 50 7.991 7.991 8.506 -0.515 19849 768 1 2 . 1 1 51 51 HIS N N 51 117.056 117.056 117.618 -0.562 19849 769 1 2 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.516 -0.520 19849 770 1 2 . 1 1 51 51 HIS C C 51 176.638 176.638 177.855 -1.217 19849 771 1 2 . 1 1 51 51 HIS H H 51 8.294 8.294 8.226 0.068 19849 772 1 2 . 1 1 52 52 ARG N N 52 120.626 120.626 120.282 0.344 19849 773 1 2 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.106 0.112 19849 774 1 2 . 1 1 52 52 ARG C C 52 179.014 179.014 177.941 1.073 19849 775 1 2 . 1 1 52 52 ARG CA C 52 59.992 59.992 59.077 0.915 19849 776 1 2 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.219 -0.660 19849 777 1 2 . 1 1 52 52 ARG H H 52 8.001 8.001 8.400 -0.399 19849 778 1 2 . 1 1 53 53 MET N N 53 119.087 119.087 118.004 1.083 19849 779 1 2 . 1 1 53 53 MET HA H 53 4.006 4.006 4.447 -0.441 19849 780 1 2 . 1 1 53 53 MET C C 53 179.286 179.286 178.040 1.246 19849 781 1 2 . 1 1 53 53 MET CA C 53 59.404 59.404 57.224 2.180 19849 782 1 2 . 1 1 53 53 MET CB C 53 34.976 34.976 32.715 2.261 19849 783 1 2 . 1 1 53 53 MET H H 53 8.162 8.162 7.736 0.426 19849 784 1 2 . 1 1 54 54 VAL N N 54 120.886 120.886 119.509 1.377 19849 785 1 2 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.687 -0.262 19849 786 1 2 . 1 1 54 54 VAL C C 54 176.296 176.296 177.938 -1.642 19849 787 1 2 . 1 1 54 54 VAL CA C 54 66.833 66.833 65.885 0.949 19849 788 1 2 . 1 1 54 54 VAL CB C 54 31.444 31.444 31.761 -0.317 19849 789 1 2 . 1 1 54 54 VAL H H 54 7.790 7.790 7.748 0.042 19849 790 1 2 . 1 1 55 55 ASN N N 55 116.881 116.881 117.622 -0.741 19849 791 1 2 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.487 -0.474 19849 792 1 2 . 1 1 55 55 ASN C C 55 178.422 178.422 176.575 1.847 19849 793 1 2 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.257 1.872 19849 794 1 2 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.399 0.468 19849 795 1 2 . 1 1 55 55 ASN H H 55 8.032 8.032 8.532 -0.500 19849 796 1 2 . 1 1 56 56 ALA N N 56 121.164 121.164 121.777 -0.613 19849 797 1 2 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.147 -0.064 19849 798 1 2 . 1 1 56 56 ALA C C 56 180.700 180.700 178.321 2.379 19849 799 1 2 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.475 0.125 19849 800 1 2 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.417 -0.155 19849 801 1 2 . 1 1 56 56 ALA H H 56 8.578 8.578 7.284 1.294 19849 802 1 2 . 1 1 57 57 ALA N N 57 121.156 121.156 118.232 2.924 19849 803 1 2 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.466 -0.434 19849 804 1 2 . 1 1 57 57 ALA C C 57 177.240 177.240 177.335 -0.095 19849 805 1 2 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.517 0.570 19849 806 1 2 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.152 -0.690 19849 807 1 2 . 1 1 57 57 ALA H H 57 7.609 7.609 7.573 0.036 19849 808 1 2 . 1 1 58 58 LEU N N 58 116.065 116.065 117.138 -1.073 19849 809 1 2 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.922 -0.027 19849 810 1 2 . 1 1 58 58 LEU C C 58 176.446 176.446 176.962 -0.516 19849 811 1 2 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.799 -3.278 19849 812 1 2 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.980 -0.227 19849 813 1 2 . 1 1 58 58 LEU H H 58 6.995 6.995 7.185 -0.190 19849 814 1 2 . 1 1 59 59 GLU N N 59 120.288 120.288 121.924 -1.636 19849 815 1 2 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.994 -0.220 19849 816 1 2 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.273 0.463 19849 817 1 2 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.681 0.326 19849 818 1 2 . 1 1 59 59 GLU H H 59 7.034 7.034 8.203 -1.169 19849 819 1 2 . 1 1 60 60 GLU N N 60 116.322 116.322 118.127 -1.805 19849 820 1 2 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.095 -0.065 19849 821 1 2 . 1 1 60 60 GLU C C 60 179.270 179.270 178.228 1.042 19849 822 1 2 . 1 1 60 60 GLU CA C 60 58.693 58.693 58.930 -0.237 19849 823 1 2 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.310 1.006 19849 824 1 2 . 1 1 60 60 GLU H H 60 8.622 8.622 8.600 0.022 19849 825 1 2 . 1 1 61 61 GLU N N 61 121.506 121.506 119.018 2.488 19849 826 1 2 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.106 -0.216 19849 827 1 2 . 1 1 61 61 GLU C C 61 179.010 179.010 178.002 1.008 19849 828 1 2 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.218 1.744 19849 829 1 2 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.290 -0.815 19849 830 1 2 . 1 1 61 61 GLU H H 61 8.946 8.946 7.952 0.994 19849 831 1 2 . 1 1 62 62 MET N N 62 116.213 116.213 118.052 -1.839 19849 832 1 2 . 1 1 62 62 MET HA H 62 4.312 4.312 4.255 0.057 19849 833 1 2 . 1 1 62 62 MET CA C 62 56.302 56.302 57.558 -1.256 19849 834 1 2 . 1 1 62 62 MET CB C 62 30.553 30.553 32.645 -2.091 19849 835 1 2 . 1 1 62 62 MET H H 62 8.693 8.693 8.094 0.599 19849 836 1 2 . 1 1 63 63 LYS N N 63 116.969 116.969 114.956 2.013 19849 837 1 2 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.286 -0.201 19849 838 1 2 . 1 1 63 63 LYS C C 63 177.541 177.541 178.037 -0.496 19849 839 1 2 . 1 1 63 63 LYS CA C 63 58.728 58.728 56.487 2.241 19849 840 1 2 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.035 0.490 19849 841 1 2 . 1 1 63 63 LYS H H 63 7.470 7.470 7.486 -0.016 19849 842 1 2 . 1 1 64 64 GLU N N 64 115.556 115.556 119.081 -3.525 19849 843 1 2 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.329 0.136 19849 844 1 2 . 1 1 64 64 GLU C C 64 175.679 175.679 176.883 -1.204 19849 845 1 2 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.946 -1.343 19849 846 1 2 . 1 1 64 64 GLU CB C 64 32.270 32.270 30.568 1.702 19849 847 1 2 . 1 1 64 64 GLU H H 64 7.773 7.773 7.703 0.070 19849 848 1 2 . 1 1 65 65 ILE N N 65 120.461 120.461 114.633 5.828 19849 849 1 2 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.428 -0.349 19849 850 1 2 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.525 2.183 19849 851 1 2 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.594 0.487 19849 852 1 2 . 1 1 65 65 ILE H H 65 7.502 7.502 7.556 -0.054 19849 853 1 2 . 1 1 66 66 HIS N N 66 125.683 125.683 119.557 6.126 19849 854 1 2 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.642 -0.097 19849 855 1 2 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.910 1.773 19849 856 1 2 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.736 -1.460 19849 857 1 2 . 1 1 66 66 HIS H H 66 9.196 9.196 8.445 0.751 19849 858 1 2 . 1 1 67 67 ALA N N 67 120.229 120.229 121.117 -0.888 19849 859 1 2 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.325 0.099 19849 860 1 2 . 1 1 67 67 ALA C C 67 173.834 173.834 174.802 -0.968 19849 861 1 2 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.101 0.048 19849 862 1 2 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.797 0.645 19849 863 1 2 . 1 1 67 67 ALA H H 67 7.493 7.493 8.124 -0.631 19849 864 1 2 . 1 1 68 68 LEU N N 68 124.546 124.546 125.178 -0.632 19849 865 1 2 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.612 -0.618 19849 866 1 2 . 1 1 68 68 LEU C C 68 175.157 175.157 175.856 -0.699 19849 867 1 2 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.320 -1.129 19849 868 1 2 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.953 -0.185 19849 869 1 2 . 1 1 68 68 LEU H H 68 8.557 8.557 8.521 0.036 19849 870 1 2 . 1 1 69 69 SER N N 69 122.077 122.077 123.788 -1.711 19849 871 1 2 . 1 1 69 69 SER HA H 69 4.677 4.677 4.622 0.055 19849 872 1 2 . 1 1 69 69 SER C C 69 173.548 173.548 173.440 0.108 19849 873 1 2 . 1 1 69 69 SER CA C 69 55.803 55.803 57.516 -1.713 19849 874 1 2 . 1 1 69 69 SER CB C 69 63.549 63.549 63.880 -0.331 19849 875 1 2 . 1 1 69 69 SER H H 69 8.854 8.854 9.129 -0.275 19849 876 1 2 . 1 1 70 70 ILE N N 70 129.143 129.143 129.151 -0.008 19849 877 1 2 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.233 -0.127 19849 878 1 2 . 1 1 70 70 ILE C C 70 175.059 175.059 175.577 -0.518 19849 879 1 2 . 1 1 70 70 ILE CA C 70 60.633 60.633 59.882 0.751 19849 880 1 2 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.270 -0.843 19849 881 1 2 . 1 1 70 70 ILE H H 70 8.922 8.922 8.819 0.102 19849 882 1 2 . 1 1 71 71 LYS N N 71 130.019 130.019 127.555 2.464 19849 883 1 2 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.111 -0.039 19849 884 1 2 . 1 1 71 71 LYS C C 71 177.201 177.201 177.157 0.044 19849 885 1 2 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.729 -0.791 19849 886 1 2 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.717 0.709 19849 887 1 2 . 1 1 71 71 LYS H H 71 8.676 8.676 8.767 -0.091 19849 888 1 2 . 1 1 72 72 LYS N N 72 113.659 113.659 118.150 -4.491 19849 889 1 2 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.513 -0.038 19849 890 1 2 . 1 1 72 72 LYS C C 72 174.013 174.013 174.223 -0.210 19849 891 1 2 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.834 0.130 19849 892 1 2 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.929 2.765 19849 893 1 2 . 1 1 72 72 LYS H H 72 7.195 7.195 7.463 -0.268 19849 894 1 2 . 1 1 73 73 ALA N N 73 129.019 129.019 128.974 0.045 19849 895 1 2 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.265 0.937 19849 896 1 2 . 1 1 73 73 ALA C C 73 175.410 175.410 175.407 0.003 19849 897 1 2 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.312 0.636 19849 898 1 2 . 1 1 73 73 ALA CB C 73 17.688 17.688 18.456 -0.768 19849 899 1 2 . 1 1 73 73 ALA H H 73 8.847 8.847 8.554 0.293 19849 900 1 2 . 1 1 74 74 GLN N N 74 120.993 120.993 123.012 -2.019 19849 901 1 2 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.666 0.180 19849 902 1 2 . 1 1 74 74 GLN C C 74 175.603 175.603 174.400 1.203 19849 903 1 2 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.001 0.772 19849 904 1 2 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.048 0.907 19849 905 1 2 . 1 1 74 74 GLN H H 74 8.398 8.398 8.003 0.395 19849 906 1 2 . 1 1 75 75 THR N N 75 111.917 111.917 113.673 -1.756 19849 907 1 2 . 1 1 75 75 THR HA H 75 4.866 4.866 4.837 0.029 19849 908 1 2 . 1 1 75 75 THR CA C 75 59.600 59.600 58.650 0.950 19849 909 1 2 . 1 1 75 75 THR H H 75 8.920 8.920 8.543 0.377 19849 910 1 2 . 1 1 76 76 PRO C C 76 177.659 177.659 177.545 0.114 19849 911 1 2 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.220 1.223 19849 912 1 2 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.828 0.048 19849 913 1 2 . 1 1 77 77 GLN N N 77 114.329 114.329 115.576 -1.247 19849 914 1 2 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.288 -0.222 19849 915 1 2 . 1 1 77 77 GLN C C 77 177.630 177.630 177.548 0.082 19849 916 1 2 . 1 1 77 77 GLN CA C 77 58.652 58.652 57.669 0.983 19849 917 1 2 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.662 0.576 19849 918 1 2 . 1 1 77 77 GLN H H 77 8.481 8.481 8.415 0.066 19849 919 1 2 . 1 1 78 78 GLN N N 78 116.831 116.831 118.099 -1.268 19849 920 1 2 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.345 -0.252 19849 921 1 2 . 1 1 78 78 GLN C C 78 176.403 176.403 177.154 -0.751 19849 922 1 2 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.603 -0.310 19849 923 1 2 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.499 1.475 19849 924 1 2 . 1 1 78 78 GLN H H 78 7.503 7.503 8.032 -0.529 19849 925 1 2 . 1 1 79 79 TRP N N 79 120.561 120.561 120.572 -0.011 19849 926 1 2 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.535 -0.148 19849 927 1 2 . 1 1 79 79 TRP C C 79 175.429 175.429 177.365 -1.936 19849 928 1 2 . 1 1 79 79 TRP CA C 79 58.561 58.561 58.705 -0.144 19849 929 1 2 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.780 1.134 19849 930 1 2 . 1 1 79 79 TRP H H 79 7.668 7.668 8.434 -0.766 19849 931 1 2 . 1 1 80 80 LYS N N 80 120.883 120.883 118.617 2.266 19849 932 1 2 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.218 -0.018 19849 933 1 2 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.946 -4.907 19849 934 1 2 . 1 1 80 80 LYS H H 80 7.768 7.768 8.052 -0.284 19849 935 1 2 . 1 1 82 82 PRO C C 82 176.919 176.919 175.826 1.093 19849 936 1 2 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.978 -1.038 19849 937 1 2 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.533 0.493 19849 938 1 2 . 1 1 83 83 SER N N 83 115.592 115.592 117.711 -2.119 19849 939 1 2 . 1 1 83 83 SER HA H 83 4.315 4.315 4.510 -0.195 19849 940 1 2 . 1 1 83 83 SER C C 83 174.665 174.665 173.218 1.447 19849 941 1 2 . 1 1 83 83 SER CA C 83 58.162 58.162 57.617 0.545 19849 942 1 2 . 1 1 83 83 SER CB C 83 63.831 63.831 63.072 0.759 19849 943 1 2 . 1 1 83 83 SER H H 83 8.264 8.264 8.155 0.109 19849 944 1 2 . 1 1 84 84 GLN N N 84 122.131 122.131 120.253 1.878 19849 945 1 2 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.497 -0.208 19849 946 1 2 . 1 1 84 84 GLN C C 84 175.598 175.598 175.242 0.356 19849 947 1 2 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.083 -0.232 19849 948 1 2 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.017 0.602 19849 949 1 2 . 1 1 84 84 GLN H H 84 8.430 8.430 7.757 0.673 19849 950 1 2 . 1 1 85 85 ASP N N 85 121.550 121.550 118.307 3.243 19849 951 1 2 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.620 -0.087 19849 952 1 2 . 1 1 85 85 ASP C C 85 176.431 176.431 176.965 -0.534 19849 953 1 2 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.033 -0.609 19849 954 1 2 . 1 1 85 85 ASP CB C 85 41.270 41.270 41.035 0.235 19849 955 1 2 . 1 1 85 85 ASP H H 85 8.307 8.307 8.228 0.079 19849 956 1 2 . 1 1 86 86 SER N N 86 116.617 116.617 115.236 1.381 19849 957 1 2 . 1 1 86 86 SER HA H 86 4.316 4.316 4.407 -0.091 19849 958 1 2 . 1 1 86 86 SER C C 86 174.590 174.590 175.808 -1.218 19849 959 1 2 . 1 1 86 86 SER CA C 86 58.797 58.797 59.569 -0.772 19849 960 1 2 . 1 1 86 86 SER CB C 86 63.667 63.667 63.597 0.070 19849 961 1 2 . 1 1 86 86 SER H H 86 8.231 8.231 8.031 0.200 19849 962 1 2 . 1 1 87 87 ALA N N 87 125.663 125.663 124.312 1.351 19849 963 1 2 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.508 -0.218 19849 964 1 2 . 1 1 87 87 ALA C C 87 178.018 178.018 178.577 -0.559 19849 965 1 2 . 1 1 87 87 ALA CA C 87 52.952 52.952 54.449 -1.497 19849 966 1 2 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.543 0.574 19849 967 1 2 . 1 1 87 87 ALA H H 87 8.312 8.312 8.009 0.303 19849 968 1 2 . 1 1 88 88 THR N N 88 112.987 112.987 113.243 -0.256 19849 969 1 2 . 1 1 88 88 THR HA H 88 4.221 4.221 4.205 0.016 19849 970 1 2 . 1 1 88 88 THR C C 88 174.488 174.488 174.924 -0.436 19849 971 1 2 . 1 1 88 88 THR CA C 88 62.115 62.115 65.736 -3.621 19849 972 1 2 . 1 1 88 88 THR CB C 88 69.626 69.626 68.488 1.138 19849 973 1 2 . 1 1 88 88 THR H H 88 7.997 7.997 8.072 -0.075 19849 974 1 2 . 1 1 89 89 LEU N N 89 124.655 124.655 118.487 6.168 19849 975 1 2 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.677 -0.321 19849 976 1 2 . 1 1 89 89 LEU C C 89 177.367 177.367 177.452 -0.085 19849 977 1 2 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.754 -0.491 19849 978 1 2 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.189 -0.697 19849 979 1 2 . 1 1 89 89 LEU H H 89 8.119 8.119 7.551 0.568 19849 980 1 2 . 1 1 90 90 THR N N 90 115.527 115.527 108.838 6.689 19849 981 1 2 . 1 1 90 90 THR HA H 90 4.261 4.261 4.347 -0.086 19849 982 1 2 . 1 1 90 90 THR CA C 90 61.707 61.707 61.539 0.168 19849 983 1 2 . 1 1 90 90 THR CB C 90 69.825 69.825 69.467 0.358 19849 984 1 2 . 1 1 90 90 THR H H 90 8.086 8.086 7.541 0.545 19849 985 1 2 . 1 1 91 91 LYS N N 91 123.923 123.923 118.734 5.189 19849 986 1 2 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.038 0.255 19849 987 1 2 . 1 1 91 91 LYS C C 91 175.949 175.949 175.322 0.627 19849 988 1 2 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.794 -0.630 19849 989 1 2 . 1 1 91 91 LYS CB C 91 33.259 33.259 30.315 2.944 19849 990 1 2 . 1 1 91 91 LYS H H 91 8.272 8.272 7.850 0.422 19849 991 1 2 . 1 1 92 92 ASP N N 92 122.237 122.237 116.569 5.668 19849 992 1 2 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.242 0.268 19849 993 1 2 . 1 1 92 92 ASP C C 92 174.733 174.733 175.670 -0.937 19849 994 1 2 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.948 -0.413 19849 995 1 2 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.243 0.868 19849 996 1 2 . 1 1 92 92 ASP H H 92 8.340 8.340 8.333 0.007 19849 997 1 3 . 1 1 2 2 VAL N N 2 120.462 120.462 122.976 -2.514 19849 998 1 3 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.655 -0.147 19849 999 1 3 . 1 1 2 2 VAL C C 2 174.797 174.797 174.504 0.293 19849 1000 1 3 . 1 1 2 2 VAL CA C 2 61.285 61.285 60.537 0.748 19849 1001 1 3 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.712 -0.891 19849 1002 1 3 . 1 1 2 2 VAL H H 2 8.729 8.729 8.359 0.370 19849 1003 1 3 . 1 1 3 3 THR N N 3 113.531 113.531 122.176 -8.645 19849 1004 1 3 . 1 1 3 3 THR HA H 3 4.794 4.794 4.825 -0.031 19849 1005 1 3 . 1 1 3 3 THR C C 3 175.419 175.419 174.737 0.682 19849 1006 1 3 . 1 1 3 3 THR CA C 3 59.466 59.466 60.779 -1.313 19849 1007 1 3 . 1 1 3 3 THR H H 3 7.740 7.740 8.460 -0.720 19849 1008 1 3 . 1 1 4 4 LYS N N 4 121.981 121.981 123.895 -1.914 19849 1009 1 3 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.361 0.076 19849 1010 1 3 . 1 1 4 4 LYS C C 4 177.186 177.186 177.457 -0.271 19849 1011 1 3 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.719 0.996 19849 1012 1 3 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.844 1.366 19849 1013 1 3 . 1 1 4 4 LYS H H 4 9.168 9.168 8.732 0.436 19849 1014 1 3 . 1 1 5 5 GLU N N 5 117.723 117.723 118.471 -0.748 19849 1015 1 3 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.057 -0.005 19849 1016 1 3 . 1 1 5 5 GLU C C 5 179.351 179.351 178.577 0.774 19849 1017 1 3 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.029 1.479 19849 1018 1 3 . 1 1 5 5 GLU CB C 5 28.394 28.394 28.982 -0.588 19849 1019 1 3 . 1 1 5 5 GLU H H 5 8.835 8.835 8.793 0.042 19849 1020 1 3 . 1 1 6 6 GLN N N 6 122.133 122.133 118.248 3.885 19849 1021 1 3 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.174 -0.165 19849 1022 1 3 . 1 1 6 6 GLN C C 6 178.109 178.109 178.078 0.031 19849 1023 1 3 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.245 0.633 19849 1024 1 3 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.001 0.872 19849 1025 1 3 . 1 1 6 6 GLN H H 6 7.867 7.867 7.625 0.242 19849 1026 1 3 . 1 1 7 7 VAL N N 7 120.130 120.130 121.196 -1.066 19849 1027 1 3 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.605 -0.468 19849 1028 1 3 . 1 1 7 7 VAL C C 7 177.807 177.807 177.980 -0.173 19849 1029 1 3 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.052 0.461 19849 1030 1 3 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.449 0.792 19849 1031 1 3 . 1 1 7 7 VAL H H 7 7.447 7.447 7.292 0.155 19849 1032 1 3 . 1 1 8 8 GLU N N 8 117.342 117.342 119.831 -2.489 19849 1033 1 3 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.861 -0.291 19849 1034 1 3 . 1 1 8 8 GLU C C 8 174.166 174.166 178.693 -4.527 19849 1035 1 3 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.907 -0.208 19849 1036 1 3 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.075 0.769 19849 1037 1 3 . 1 1 8 8 GLU H H 8 8.529 8.529 8.581 -0.052 19849 1038 1 3 . 1 1 9 9 ALA N N 9 124.344 124.344 120.299 4.045 19849 1039 1 3 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.206 0.214 19849 1040 1 3 . 1 1 9 9 ALA C C 9 177.996 177.996 179.235 -1.239 19849 1041 1 3 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.487 1.036 19849 1042 1 3 . 1 1 9 9 ALA H H 9 8.301 8.301 7.559 0.742 19849 1043 1 3 . 1 1 10 10 SER N N 10 117.198 117.198 115.991 1.207 19849 1044 1 3 . 1 1 10 10 SER HA H 10 4.374 4.374 4.177 0.197 19849 1045 1 3 . 1 1 10 10 SER C C 10 175.219 175.219 176.539 -1.320 19849 1046 1 3 . 1 1 10 10 SER CA C 10 62.207 62.207 61.295 0.912 19849 1047 1 3 . 1 1 10 10 SER H H 10 8.303 8.303 7.789 0.514 19849 1048 1 3 . 1 1 11 11 LEU N N 11 118.287 118.287 120.734 -2.447 19849 1049 1 3 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.062 -0.248 19849 1050 1 3 . 1 1 11 11 LEU C C 11 179.247 179.247 178.802 0.445 19849 1051 1 3 . 1 1 11 11 LEU CA C 11 58.209 58.209 58.069 0.140 19849 1052 1 3 . 1 1 11 11 LEU CB C 11 42.528 42.528 40.973 1.555 19849 1053 1 3 . 1 1 11 11 LEU H H 11 7.973 7.973 8.762 -0.789 19849 1054 1 3 . 1 1 12 12 THR N N 12 116.416 116.416 114.446 1.970 19849 1055 1 3 . 1 1 12 12 THR HA H 12 3.530 3.530 4.032 -0.502 19849 1056 1 3 . 1 1 12 12 THR C C 12 176.464 176.464 176.505 -0.041 19849 1057 1 3 . 1 1 12 12 THR CA C 12 67.016 67.016 66.531 0.485 19849 1058 1 3 . 1 1 12 12 THR CB C 12 68.586 68.586 68.235 0.351 19849 1059 1 3 . 1 1 12 12 THR H H 12 8.440 8.440 7.687 0.753 19849 1060 1 3 . 1 1 13 13 SER N N 13 115.144 115.144 116.874 -1.730 19849 1061 1 3 . 1 1 13 13 SER HA H 13 4.105 4.105 4.430 -0.325 19849 1062 1 3 . 1 1 13 13 SER C C 13 176.285 176.285 175.312 0.973 19849 1063 1 3 . 1 1 13 13 SER CA C 13 61.032 61.032 60.935 0.097 19849 1064 1 3 . 1 1 13 13 SER CB C 13 63.045 63.045 63.462 -0.417 19849 1065 1 3 . 1 1 13 13 SER H H 13 8.022 8.022 7.800 0.222 19849 1066 1 3 . 1 1 14 14 LYS N N 14 116.028 116.028 118.368 -2.340 19849 1067 1 3 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.234 0.076 19849 1068 1 3 . 1 1 14 14 LYS C C 14 178.041 178.041 177.457 0.584 19849 1069 1 3 . 1 1 14 14 LYS CA C 14 57.842 57.842 57.336 0.506 19849 1070 1 3 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.121 0.736 19849 1071 1 3 . 1 1 14 14 LYS H H 14 7.466 7.466 7.935 -0.469 19849 1072 1 3 . 1 1 15 15 LEU N N 15 114.405 114.405 116.681 -2.276 19849 1073 1 3 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.451 -0.032 19849 1074 1 3 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.944 -0.020 19849 1075 1 3 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.069 -0.709 19849 1076 1 3 . 1 1 15 15 LEU H H 15 7.842 7.842 8.198 -0.356 19849 1077 1 3 . 1 1 16 16 LYS N N 16 116.513 116.513 117.018 -0.505 19849 1078 1 3 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.274 -0.154 19849 1079 1 3 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.646 -0.349 19849 1080 1 3 . 1 1 16 16 LYS H H 16 7.421 7.421 7.437 -0.016 19849 1081 1 3 . 1 1 17 17 PRO C C 17 177.159 177.159 175.803 1.356 19849 1082 1 3 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.616 -0.721 19849 1083 1 3 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.016 3.291 19849 1084 1 3 . 1 1 18 18 ILE N N 18 116.671 116.671 120.850 -4.179 19849 1085 1 3 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.217 0.077 19849 1086 1 3 . 1 1 18 18 ILE C C 18 175.085 175.085 176.311 -1.226 19849 1087 1 3 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.236 -1.209 19849 1088 1 3 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.958 0.058 19849 1089 1 3 . 1 1 18 18 ILE H H 18 7.917 7.917 8.227 -0.310 19849 1090 1 3 . 1 1 19 19 HIS N N 19 117.574 117.574 119.708 -2.134 19849 1091 1 3 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.866 -0.424 19849 1092 1 3 . 1 1 19 19 HIS C C 19 171.727 171.727 172.893 -1.166 19849 1093 1 3 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.601 0.773 19849 1094 1 3 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.019 1.540 19849 1095 1 3 . 1 1 19 19 HIS H H 19 6.968 6.968 7.972 -1.004 19849 1096 1 3 . 1 1 20 20 LEU N N 20 128.803 128.803 126.658 2.145 19849 1097 1 3 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.429 -0.623 19849 1098 1 3 . 1 1 20 20 LEU C C 20 173.636 173.636 175.996 -2.360 19849 1099 1 3 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.915 -0.491 19849 1100 1 3 . 1 1 20 20 LEU CB C 20 45.564 45.564 45.384 0.180 19849 1101 1 3 . 1 1 20 20 LEU H H 20 7.928 7.928 8.352 -0.424 19849 1102 1 3 . 1 1 21 21 GLU N N 21 125.639 125.639 123.112 2.527 19849 1103 1 3 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.638 -0.128 19849 1104 1 3 . 1 1 21 21 GLU C C 21 174.143 174.143 175.467 -1.324 19849 1105 1 3 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.776 -0.067 19849 1106 1 3 . 1 1 21 21 GLU CB C 21 33.593 33.593 32.266 1.327 19849 1107 1 3 . 1 1 21 21 GLU H H 21 8.703 8.703 8.340 0.363 19849 1108 1 3 . 1 1 22 22 VAL N N 22 126.675 126.675 119.858 6.817 19849 1109 1 3 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.880 -0.263 19849 1110 1 3 . 1 1 22 22 VAL C C 22 173.843 173.843 174.381 -0.538 19849 1111 1 3 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.715 0.644 19849 1112 1 3 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.176 0.495 19849 1113 1 3 . 1 1 22 22 VAL H H 22 8.936 8.936 8.867 0.069 19849 1114 1 3 . 1 1 23 23 ILE N N 23 126.078 126.078 124.797 1.281 19849 1115 1 3 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.480 -0.007 19849 1116 1 3 . 1 1 23 23 ILE C C 23 175.007 175.007 174.847 0.160 19849 1117 1 3 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.750 -0.304 19849 1118 1 3 . 1 1 23 23 ILE CB C 23 41.237 41.237 39.837 1.400 19849 1119 1 3 . 1 1 23 23 ILE H H 23 9.099 9.099 8.452 0.647 19849 1120 1 3 . 1 1 24 24 ASP N N 24 127.026 127.026 129.282 -2.256 19849 1121 1 3 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.927 -0.317 19849 1122 1 3 . 1 1 24 24 ASP C C 24 176.888 176.888 176.459 0.429 19849 1123 1 3 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.147 -1.282 19849 1124 1 3 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.281 -0.249 19849 1125 1 3 . 1 1 24 24 ASP H H 24 9.152 9.152 8.985 0.167 19849 1126 1 3 . 1 1 25 25 ILE N N 25 123.148 123.148 126.934 -3.786 19849 1127 1 3 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.344 0.248 19849 1128 1 3 . 1 1 25 25 ILE C C 25 175.765 175.765 176.361 -0.596 19849 1129 1 3 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.165 -0.053 19849 1130 1 3 . 1 1 25 25 ILE CB C 25 36.913 36.913 37.742 -0.829 19849 1131 1 3 . 1 1 25 25 ILE H H 25 7.915 7.915 8.196 -0.281 19849 1132 1 3 . 1 1 26 26 SER N N 26 119.373 119.373 114.892 4.481 19849 1133 1 3 . 1 1 26 26 SER HA H 26 4.520 4.520 4.748 -0.228 19849 1134 1 3 . 1 1 26 26 SER C C 26 175.488 175.488 174.819 0.669 19849 1135 1 3 . 1 1 26 26 SER CA C 26 58.030 58.030 58.522 -0.492 19849 1136 1 3 . 1 1 26 26 SER CB C 26 64.605 64.605 65.636 -1.031 19849 1137 1 3 . 1 1 26 26 SER H H 26 9.175 9.175 8.815 0.360 19849 1138 1 3 . 1 1 27 27 GLY N N 27 111.902 111.902 109.899 2.003 19849 1139 1 3 . 1 1 27 27 GLY C C 27 175.418 175.418 173.459 1.959 19849 1140 1 3 . 1 1 27 27 GLY CA C 27 46.435 46.435 46.141 0.295 19849 1141 1 3 . 1 1 27 27 GLY H H 27 8.417 8.417 7.816 0.601 19849 1142 1 3 . 1 1 28 28 GLY N N 28 106.936 106.936 107.861 -0.925 19849 1143 1 3 . 1 1 28 28 GLY C C 28 177.627 177.627 175.179 2.448 19849 1144 1 3 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.911 -0.284 19849 1145 1 3 . 1 1 28 28 GLY H H 28 7.864 7.864 8.200 -0.336 19849 1146 1 3 . 1 1 29 29 CYS N N 29 116.829 116.829 118.879 -2.050 19849 1147 1 3 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.375 -0.012 19849 1148 1 3 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.663 -0.223 19849 1149 1 3 . 1 1 29 29 CYS CB C 29 27.858 27.858 27.587 0.271 19849 1150 1 3 . 1 1 29 29 CYS H H 29 7.380 7.380 7.890 -0.510 19849 1151 1 3 . 1 1 30 30 GLY N N 30 111.626 111.626 108.383 3.243 19849 1152 1 3 . 1 1 30 30 GLY C C 30 173.383 173.383 173.769 -0.386 19849 1153 1 3 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.844 1.242 19849 1154 1 3 . 1 1 30 30 GLY H H 30 8.965 8.965 8.004 0.961 19849 1155 1 3 . 1 1 31 31 SER N N 31 111.735 111.735 115.669 -3.934 19849 1156 1 3 . 1 1 31 31 SER HA H 31 4.639 4.639 3.880 0.759 19849 1157 1 3 . 1 1 31 31 SER C C 31 174.246 174.246 173.209 1.037 19849 1158 1 3 . 1 1 31 31 SER CA C 31 58.203 58.203 59.085 -0.882 19849 1159 1 3 . 1 1 31 31 SER CB C 31 64.459 64.459 62.206 2.253 19849 1160 1 3 . 1 1 31 31 SER H H 31 8.220 8.220 7.437 0.783 19849 1161 1 3 . 1 1 32 32 SER N N 32 116.259 116.259 121.166 -4.907 19849 1162 1 3 . 1 1 32 32 SER HA H 32 5.346 5.346 4.978 0.368 19849 1163 1 3 . 1 1 32 32 SER C C 32 176.363 176.363 172.183 4.180 19849 1164 1 3 . 1 1 32 32 SER CA C 32 57.400 57.400 56.920 0.480 19849 1165 1 3 . 1 1 32 32 SER CB C 32 62.866 62.866 64.657 -1.791 19849 1166 1 3 . 1 1 32 32 SER H H 32 7.253 7.253 8.409 -1.156 19849 1167 1 3 . 1 1 33 33 PHE N N 33 118.533 118.533 125.877 -7.344 19849 1168 1 3 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.982 0.674 19849 1169 1 3 . 1 1 33 33 PHE C C 33 174.163 174.163 175.204 -1.041 19849 1170 1 3 . 1 1 33 33 PHE CA C 33 56.382 56.382 55.569 0.813 19849 1171 1 3 . 1 1 33 33 PHE CB C 33 44.450 44.450 40.860 3.590 19849 1172 1 3 . 1 1 33 33 PHE H H 33 7.995 7.995 9.081 -1.086 19849 1173 1 3 . 1 1 34 34 GLU N N 34 122.301 122.301 124.143 -1.842 19849 1174 1 3 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.846 0.714 19849 1175 1 3 . 1 1 34 34 GLU C C 34 175.902 175.902 175.592 0.310 19849 1176 1 3 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.391 -1.015 19849 1177 1 3 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.947 3.596 19849 1178 1 3 . 1 1 34 34 GLU H H 34 9.436 9.436 8.933 0.503 19849 1179 1 3 . 1 1 35 35 VAL N N 35 118.350 118.350 126.172 -7.822 19849 1180 1 3 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.813 0.556 19849 1181 1 3 . 1 1 35 35 VAL C C 35 174.616 174.616 173.993 0.623 19849 1182 1 3 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.341 0.023 19849 1183 1 3 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.351 0.827 19849 1184 1 3 . 1 1 35 35 VAL H H 35 8.784 8.784 9.011 -0.227 19849 1185 1 3 . 1 1 36 36 GLU N N 36 123.537 123.537 128.286 -4.749 19849 1186 1 3 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.625 0.344 19849 1187 1 3 . 1 1 36 36 GLU C C 36 174.745 174.745 174.671 0.074 19849 1188 1 3 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.973 0.218 19849 1189 1 3 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.755 1.331 19849 1190 1 3 . 1 1 36 36 GLU H H 36 8.859 8.859 8.349 0.510 19849 1191 1 3 . 1 1 37 37 VAL N N 37 120.272 120.272 127.318 -7.046 19849 1192 1 3 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.116 -0.504 19849 1193 1 3 . 1 1 37 37 VAL C C 37 172.679 172.679 174.463 -1.784 19849 1194 1 3 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.856 -0.566 19849 1195 1 3 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.672 0.349 19849 1196 1 3 . 1 1 37 37 VAL H H 37 8.497 8.497 8.535 -0.038 19849 1197 1 3 . 1 1 38 38 VAL N N 38 127.971 127.971 127.906 0.065 19849 1198 1 3 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.140 0.117 19849 1199 1 3 . 1 1 38 38 VAL C C 38 175.842 175.842 174.598 1.244 19849 1200 1 3 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.586 -1.112 19849 1201 1 3 . 1 1 38 38 VAL CB C 38 33.115 33.115 31.260 1.855 19849 1202 1 3 . 1 1 38 38 VAL H H 38 8.169 8.169 8.661 -0.492 19849 1203 1 3 . 1 1 39 39 SER N N 39 117.426 117.426 119.268 -1.842 19849 1204 1 3 . 1 1 39 39 SER HA H 39 4.821 4.821 4.753 0.068 19849 1205 1 3 . 1 1 39 39 SER C C 39 175.323 175.323 174.667 0.656 19849 1206 1 3 . 1 1 39 39 SER CA C 39 55.888 55.888 55.518 0.370 19849 1207 1 3 . 1 1 39 39 SER CB C 39 64.183 64.183 65.667 -1.484 19849 1208 1 3 . 1 1 39 39 SER H H 39 8.304 8.304 7.971 0.333 19849 1209 1 3 . 1 1 40 40 GLU N N 40 131.571 131.571 122.242 9.329 19849 1210 1 3 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.089 0.030 19849 1211 1 3 . 1 1 40 40 GLU C C 40 177.887 177.887 177.423 0.464 19849 1212 1 3 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.902 -0.221 19849 1213 1 3 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.166 0.463 19849 1214 1 3 . 1 1 40 40 GLU H H 40 9.911 9.911 9.078 0.833 19849 1215 1 3 . 1 1 41 41 GLN N N 41 117.534 117.534 117.746 -0.212 19849 1216 1 3 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.179 -0.195 19849 1217 1 3 . 1 1 41 41 GLN C C 41 176.391 176.391 175.630 0.761 19849 1218 1 3 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.261 0.182 19849 1219 1 3 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.905 -0.002 19849 1220 1 3 . 1 1 41 41 GLN H H 41 8.219 8.219 8.043 0.176 19849 1221 1 3 . 1 1 42 42 PHE N N 42 113.224 113.224 115.516 -2.292 19849 1222 1 3 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.730 -0.204 19849 1223 1 3 . 1 1 42 42 PHE C C 42 175.064 175.064 174.741 0.323 19849 1224 1 3 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.520 -0.381 19849 1225 1 3 . 1 1 42 42 PHE CB C 42 37.636 37.636 39.246 -1.610 19849 1226 1 3 . 1 1 42 42 PHE H H 42 6.894 6.894 7.564 -0.670 19849 1227 1 3 . 1 1 43 43 GLU N N 43 121.136 121.136 121.504 -0.368 19849 1228 1 3 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.277 -0.310 19849 1229 1 3 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.110 2.251 19849 1230 1 3 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.899 0.335 19849 1231 1 3 . 1 1 43 43 GLU H H 43 7.469 7.469 7.331 0.138 19849 1232 1 3 . 1 1 44 44 GLY N N 44 114.819 114.819 114.863 -0.044 19849 1233 1 3 . 1 1 44 44 GLY C C 44 174.101 174.101 174.324 -0.223 19849 1234 1 3 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.076 -0.451 19849 1235 1 3 . 1 1 44 44 GLY H H 44 9.014 9.014 8.906 0.108 19849 1236 1 3 . 1 1 45 45 LYS N N 45 118.678 118.678 119.553 -0.875 19849 1237 1 3 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.634 0.055 19849 1238 1 3 . 1 1 45 45 LYS C C 45 177.858 177.858 176.013 1.845 19849 1239 1 3 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.294 -0.732 19849 1240 1 3 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.417 -0.976 19849 1241 1 3 . 1 1 45 45 LYS H H 45 7.932 7.932 8.014 -0.082 19849 1242 1 3 . 1 1 46 46 ARG N N 46 125.430 125.430 120.564 4.866 19849 1243 1 3 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.450 -0.157 19849 1244 1 3 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.308 1.471 19849 1245 1 3 . 1 1 46 46 ARG H H 46 9.288 9.288 8.569 0.719 19849 1246 1 3 . 1 1 47 47 LEU N N 47 124.205 124.205 124.469 -0.264 19849 1247 1 3 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.687 0.015 19849 1248 1 3 . 1 1 47 47 LEU C C 47 178.476 178.476 178.247 0.229 19849 1249 1 3 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.465 2.224 19849 1250 1 3 . 1 1 47 47 LEU H H 47 8.320 8.320 8.846 -0.526 19849 1251 1 3 . 1 1 48 48 LEU N N 48 115.874 115.874 118.884 -3.010 19849 1252 1 3 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.078 -0.306 19849 1253 1 3 . 1 1 48 48 LEU C C 48 179.985 179.985 179.270 0.715 19849 1254 1 3 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.849 0.774 19849 1255 1 3 . 1 1 48 48 LEU H H 48 8.587 8.587 8.046 0.541 19849 1256 1 3 . 1 1 49 49 GLU N N 49 118.216 118.216 118.850 -0.634 19849 1257 1 3 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.011 0.097 19849 1258 1 3 . 1 1 49 49 GLU C C 49 177.944 177.944 179.492 -1.548 19849 1259 1 3 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.148 -0.730 19849 1260 1 3 . 1 1 49 49 GLU H H 49 6.964 6.964 7.877 -0.913 19849 1261 1 3 . 1 1 50 50 ARG N N 50 119.674 119.674 119.471 0.203 19849 1262 1 3 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.260 -0.343 19849 1263 1 3 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.575 -0.501 19849 1264 1 3 . 1 1 50 50 ARG CB C 50 29.011 29.011 29.953 -0.942 19849 1265 1 3 . 1 1 50 50 ARG H H 50 7.991 7.991 8.201 -0.210 19849 1266 1 3 . 1 1 51 51 HIS N N 51 117.056 117.056 118.119 -1.063 19849 1267 1 3 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.320 -0.324 19849 1268 1 3 . 1 1 51 51 HIS C C 51 176.638 176.638 177.788 -1.150 19849 1269 1 3 . 1 1 51 51 HIS H H 51 8.294 8.294 8.126 0.168 19849 1270 1 3 . 1 1 52 52 ARG N N 52 120.626 120.626 117.957 2.669 19849 1271 1 3 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.141 0.077 19849 1272 1 3 . 1 1 52 52 ARG C C 52 179.014 179.014 177.014 2.000 19849 1273 1 3 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.857 1.135 19849 1274 1 3 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.225 -0.666 19849 1275 1 3 . 1 1 52 52 ARG H H 52 8.001 8.001 8.327 -0.326 19849 1276 1 3 . 1 1 53 53 MET N N 53 119.087 119.087 117.557 1.530 19849 1277 1 3 . 1 1 53 53 MET HA H 53 4.006 4.006 4.488 -0.482 19849 1278 1 3 . 1 1 53 53 MET C C 53 179.286 179.286 177.790 1.496 19849 1279 1 3 . 1 1 53 53 MET CA C 53 59.404 59.404 57.100 2.304 19849 1280 1 3 . 1 1 53 53 MET CB C 53 34.976 34.976 33.224 1.752 19849 1281 1 3 . 1 1 53 53 MET H H 53 8.162 8.162 7.481 0.681 19849 1282 1 3 . 1 1 54 54 VAL N N 54 120.886 120.886 120.380 0.506 19849 1283 1 3 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.684 -0.259 19849 1284 1 3 . 1 1 54 54 VAL C C 54 176.296 176.296 177.819 -1.523 19849 1285 1 3 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.546 0.287 19849 1286 1 3 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.266 -0.822 19849 1287 1 3 . 1 1 54 54 VAL H H 54 7.790 7.790 8.444 -0.654 19849 1288 1 3 . 1 1 55 55 ASN N N 55 116.881 116.881 117.658 -0.777 19849 1289 1 3 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.529 -0.516 19849 1290 1 3 . 1 1 55 55 ASN C C 55 178.422 178.422 176.408 2.014 19849 1291 1 3 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.102 2.027 19849 1292 1 3 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.507 0.360 19849 1293 1 3 . 1 1 55 55 ASN H H 55 8.032 8.032 8.404 -0.372 19849 1294 1 3 . 1 1 56 56 ALA N N 56 121.164 121.164 121.739 -0.575 19849 1295 1 3 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.160 -0.077 19849 1296 1 3 . 1 1 56 56 ALA C C 56 180.700 180.700 178.672 2.028 19849 1297 1 3 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.264 0.336 19849 1298 1 3 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.398 -0.136 19849 1299 1 3 . 1 1 56 56 ALA H H 56 8.578 8.578 7.752 0.826 19849 1300 1 3 . 1 1 57 57 ALA N N 57 121.156 121.156 119.318 1.838 19849 1301 1 3 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.422 -0.390 19849 1302 1 3 . 1 1 57 57 ALA C C 57 177.240 177.240 177.380 -0.140 19849 1303 1 3 . 1 1 57 57 ALA CA C 57 54.087 54.087 54.109 -0.022 19849 1304 1 3 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.093 -0.631 19849 1305 1 3 . 1 1 57 57 ALA H H 57 7.609 7.609 7.597 0.012 19849 1306 1 3 . 1 1 58 58 LEU N N 58 116.065 116.065 115.926 0.139 19849 1307 1 3 . 1 1 58 58 LEU HA H 58 4.895 4.895 5.021 -0.126 19849 1308 1 3 . 1 1 58 58 LEU C C 58 176.446 176.446 177.912 -1.466 19849 1309 1 3 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.431 -1.910 19849 1310 1 3 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.725 0.028 19849 1311 1 3 . 1 1 58 58 LEU H H 58 6.995 6.995 7.702 -0.707 19849 1312 1 3 . 1 1 59 59 GLU N N 59 120.288 120.288 121.780 -1.492 19849 1313 1 3 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.001 -0.227 19849 1314 1 3 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.814 0.922 19849 1315 1 3 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.178 0.829 19849 1316 1 3 . 1 1 59 59 GLU H H 59 7.034 7.034 8.110 -1.076 19849 1317 1 3 . 1 1 60 60 GLU N N 60 116.322 116.322 117.952 -1.630 19849 1318 1 3 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.119 -0.089 19849 1319 1 3 . 1 1 60 60 GLU C C 60 179.270 179.270 178.542 0.728 19849 1320 1 3 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.160 -0.467 19849 1321 1 3 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.260 1.056 19849 1322 1 3 . 1 1 60 60 GLU H H 60 8.622 8.622 8.717 -0.095 19849 1323 1 3 . 1 1 61 61 GLU N N 61 121.506 121.506 119.954 1.552 19849 1324 1 3 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.143 -0.253 19849 1325 1 3 . 1 1 61 61 GLU C C 61 179.010 179.010 178.315 0.695 19849 1326 1 3 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.157 1.805 19849 1327 1 3 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.076 -0.601 19849 1328 1 3 . 1 1 61 61 GLU H H 61 8.946 8.946 8.196 0.750 19849 1329 1 3 . 1 1 62 62 MET N N 62 116.213 116.213 116.989 -0.776 19849 1330 1 3 . 1 1 62 62 MET HA H 62 4.312 4.312 4.197 0.115 19849 1331 1 3 . 1 1 62 62 MET CA C 62 56.302 56.302 58.745 -2.443 19849 1332 1 3 . 1 1 62 62 MET CB C 62 30.553 30.553 32.720 -2.167 19849 1333 1 3 . 1 1 62 62 MET H H 62 8.693 8.693 8.165 0.528 19849 1334 1 3 . 1 1 63 63 LYS N N 63 116.969 116.969 115.487 1.482 19849 1335 1 3 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.203 -0.118 19849 1336 1 3 . 1 1 63 63 LYS C C 63 177.541 177.541 177.861 -0.320 19849 1337 1 3 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.683 1.045 19849 1338 1 3 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.312 0.213 19849 1339 1 3 . 1 1 63 63 LYS H H 63 7.470 7.470 7.328 0.142 19849 1340 1 3 . 1 1 64 64 GLU N N 64 115.556 115.556 118.057 -2.501 19849 1341 1 3 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.404 0.061 19849 1342 1 3 . 1 1 64 64 GLU C C 64 175.679 175.679 176.659 -0.980 19849 1343 1 3 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.556 -0.953 19849 1344 1 3 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.281 0.989 19849 1345 1 3 . 1 1 64 64 GLU H H 64 7.773 7.773 7.793 -0.020 19849 1346 1 3 . 1 1 65 65 ILE N N 65 120.461 120.461 114.810 5.651 19849 1347 1 3 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.576 -0.497 19849 1348 1 3 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.298 2.410 19849 1349 1 3 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.832 0.250 19849 1350 1 3 . 1 1 65 65 ILE H H 65 7.502 7.502 7.739 -0.237 19849 1351 1 3 . 1 1 66 66 HIS N N 66 125.683 125.683 117.106 8.577 19849 1352 1 3 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.829 -0.284 19849 1353 1 3 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.407 2.276 19849 1354 1 3 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.906 -1.629 19849 1355 1 3 . 1 1 66 66 HIS H H 66 9.196 9.196 8.029 1.167 19849 1356 1 3 . 1 1 67 67 ALA N N 67 120.229 120.229 120.505 -0.276 19849 1357 1 3 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.484 -0.060 19849 1358 1 3 . 1 1 67 67 ALA C C 67 173.834 173.834 175.059 -1.225 19849 1359 1 3 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.490 -0.341 19849 1360 1 3 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.989 0.452 19849 1361 1 3 . 1 1 67 67 ALA H H 67 7.493 7.493 7.622 -0.129 19849 1362 1 3 . 1 1 68 68 LEU N N 68 124.546 124.546 124.043 0.503 19849 1363 1 3 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.269 -0.275 19849 1364 1 3 . 1 1 68 68 LEU C C 68 175.157 175.157 176.228 -1.071 19849 1365 1 3 . 1 1 68 68 LEU CA C 68 53.191 53.191 53.976 -0.785 19849 1366 1 3 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.201 -0.433 19849 1367 1 3 . 1 1 68 68 LEU H H 68 8.557 8.557 8.595 -0.038 19849 1368 1 3 . 1 1 69 69 SER N N 69 122.077 122.077 121.645 0.432 19849 1369 1 3 . 1 1 69 69 SER HA H 69 4.677 4.677 4.683 -0.006 19849 1370 1 3 . 1 1 69 69 SER C C 69 173.548 173.548 173.416 0.132 19849 1371 1 3 . 1 1 69 69 SER CA C 69 55.803 55.803 57.733 -1.931 19849 1372 1 3 . 1 1 69 69 SER CB C 69 63.549 63.549 63.853 -0.305 19849 1373 1 3 . 1 1 69 69 SER H H 69 8.854 8.854 9.142 -0.288 19849 1374 1 3 . 1 1 70 70 ILE N N 70 129.143 129.143 129.134 0.009 19849 1375 1 3 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.458 -0.352 19849 1376 1 3 . 1 1 70 70 ILE C C 70 175.059 175.059 175.388 -0.329 19849 1377 1 3 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.409 0.224 19849 1378 1 3 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.635 -1.208 19849 1379 1 3 . 1 1 70 70 ILE H H 70 8.922 8.922 8.698 0.224 19849 1380 1 3 . 1 1 71 71 LYS N N 71 130.019 130.019 126.755 3.264 19849 1381 1 3 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.077 -0.005 19849 1382 1 3 . 1 1 71 71 LYS C C 71 177.201 177.201 177.127 0.074 19849 1383 1 3 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.458 -0.520 19849 1384 1 3 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.668 0.758 19849 1385 1 3 . 1 1 71 71 LYS H H 71 8.676 8.676 8.051 0.625 19849 1386 1 3 . 1 1 72 72 LYS N N 72 113.659 113.659 119.238 -5.579 19849 1387 1 3 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.451 0.024 19849 1388 1 3 . 1 1 72 72 LYS C C 72 174.013 174.013 174.111 -0.098 19849 1389 1 3 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.556 0.408 19849 1390 1 3 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.788 2.906 19849 1391 1 3 . 1 1 72 72 LYS H H 72 7.195 7.195 7.450 -0.255 19849 1392 1 3 . 1 1 73 73 ALA N N 73 129.019 129.019 129.214 -0.195 19849 1393 1 3 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.743 0.459 19849 1394 1 3 . 1 1 73 73 ALA C C 73 175.410 175.410 175.782 -0.372 19849 1395 1 3 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.330 0.618 19849 1396 1 3 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.720 -2.032 19849 1397 1 3 . 1 1 73 73 ALA H H 73 8.847 8.847 8.615 0.232 19849 1398 1 3 . 1 1 74 74 GLN N N 74 120.993 120.993 122.308 -1.315 19849 1399 1 3 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.812 0.034 19849 1400 1 3 . 1 1 74 74 GLN C C 74 175.603 175.603 174.646 0.957 19849 1401 1 3 . 1 1 74 74 GLN CA C 74 54.773 54.773 53.987 0.785 19849 1402 1 3 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.243 0.712 19849 1403 1 3 . 1 1 74 74 GLN H H 74 8.398 8.398 8.003 0.395 19849 1404 1 3 . 1 1 75 75 THR N N 75 111.917 111.917 113.197 -1.280 19849 1405 1 3 . 1 1 75 75 THR HA H 75 4.866 4.866 5.193 -0.327 19849 1406 1 3 . 1 1 75 75 THR CA C 75 59.600 59.600 58.297 1.303 19849 1407 1 3 . 1 1 75 75 THR H H 75 8.920 8.920 8.339 0.581 19849 1408 1 3 . 1 1 76 76 PRO C C 76 177.659 177.659 177.133 0.526 19849 1409 1 3 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.174 1.269 19849 1410 1 3 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.815 0.061 19849 1411 1 3 . 1 1 77 77 GLN N N 77 114.329 114.329 116.460 -2.131 19849 1412 1 3 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.068 -0.002 19849 1413 1 3 . 1 1 77 77 GLN C C 77 177.630 177.630 177.608 0.022 19849 1414 1 3 . 1 1 77 77 GLN CA C 77 58.652 58.652 59.031 -0.379 19849 1415 1 3 . 1 1 77 77 GLN CB C 77 28.238 28.238 28.901 -0.663 19849 1416 1 3 . 1 1 77 77 GLN H H 77 8.481 8.481 8.380 0.101 19849 1417 1 3 . 1 1 78 78 GLN N N 78 116.831 116.831 117.952 -1.121 19849 1418 1 3 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.283 -0.190 19849 1419 1 3 . 1 1 78 78 GLN C C 78 176.403 176.403 177.288 -0.885 19849 1420 1 3 . 1 1 78 78 GLN CA C 78 57.293 57.293 58.129 -0.836 19849 1421 1 3 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.123 1.851 19849 1422 1 3 . 1 1 78 78 GLN H H 78 7.503 7.503 7.704 -0.201 19849 1423 1 3 . 1 1 79 79 TRP N N 79 120.561 120.561 120.199 0.362 19849 1424 1 3 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.723 -0.336 19849 1425 1 3 . 1 1 79 79 TRP C C 79 175.429 175.429 175.969 -0.540 19849 1426 1 3 . 1 1 79 79 TRP CA C 79 58.561 58.561 57.184 1.377 19849 1427 1 3 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.515 1.399 19849 1428 1 3 . 1 1 79 79 TRP H H 79 7.668 7.668 7.870 -0.202 19849 1429 1 3 . 1 1 80 80 LYS N N 80 120.883 120.883 120.735 0.148 19849 1430 1 3 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.104 0.096 19849 1431 1 3 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.720 -5.682 19849 1432 1 3 . 1 1 80 80 LYS H H 80 7.768 7.768 8.245 -0.477 19849 1433 1 3 . 1 1 82 82 PRO C C 82 176.919 176.919 175.760 1.159 19849 1434 1 3 . 1 1 82 82 PRO CA C 82 62.940 62.940 64.098 -1.158 19849 1435 1 3 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.845 0.181 19849 1436 1 3 . 1 1 83 83 SER N N 83 115.592 115.592 116.039 -0.447 19849 1437 1 3 . 1 1 83 83 SER HA H 83 4.315 4.315 4.663 -0.348 19849 1438 1 3 . 1 1 83 83 SER C C 83 174.665 174.665 173.968 0.697 19849 1439 1 3 . 1 1 83 83 SER CA C 83 58.162 58.162 57.994 0.168 19849 1440 1 3 . 1 1 83 83 SER CB C 83 63.831 63.831 64.975 -1.144 19849 1441 1 3 . 1 1 83 83 SER H H 83 8.264 8.264 8.366 -0.102 19849 1442 1 3 . 1 1 84 84 GLN N N 84 122.131 122.131 120.471 1.660 19849 1443 1 3 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.502 -0.213 19849 1444 1 3 . 1 1 84 84 GLN C C 84 175.598 175.598 176.879 -1.281 19849 1445 1 3 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.806 -0.955 19849 1446 1 3 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.710 -0.091 19849 1447 1 3 . 1 1 84 84 GLN H H 84 8.430 8.430 8.266 0.164 19849 1448 1 3 . 1 1 85 85 ASP N N 85 121.550 121.550 119.828 1.722 19849 1449 1 3 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.546 -0.012 19849 1450 1 3 . 1 1 85 85 ASP C C 85 176.431 176.431 178.099 -1.668 19849 1451 1 3 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.328 -1.903 19849 1452 1 3 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.528 0.742 19849 1453 1 3 . 1 1 85 85 ASP H H 85 8.307 8.307 8.613 -0.306 19849 1454 1 3 . 1 1 86 86 SER N N 86 116.617 116.617 115.519 1.098 19849 1455 1 3 . 1 1 86 86 SER HA H 86 4.316 4.316 4.301 0.015 19849 1456 1 3 . 1 1 86 86 SER C C 86 174.590 174.590 175.941 -1.351 19849 1457 1 3 . 1 1 86 86 SER CA C 86 58.797 58.797 60.235 -1.438 19849 1458 1 3 . 1 1 86 86 SER CB C 86 63.667 63.667 63.290 0.377 19849 1459 1 3 . 1 1 86 86 SER H H 86 8.231 8.231 8.021 0.210 19849 1460 1 3 . 1 1 87 87 ALA N N 87 125.663 125.663 122.217 3.446 19849 1461 1 3 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.520 -0.230 19849 1462 1 3 . 1 1 87 87 ALA C C 87 178.018 178.018 177.286 0.732 19849 1463 1 3 . 1 1 87 87 ALA CA C 87 52.952 52.952 53.271 -0.319 19849 1464 1 3 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.305 0.812 19849 1465 1 3 . 1 1 87 87 ALA H H 87 8.312 8.312 8.060 0.252 19849 1466 1 3 . 1 1 88 88 THR N N 88 112.987 112.987 111.265 1.722 19849 1467 1 3 . 1 1 88 88 THR HA H 88 4.221 4.221 4.306 -0.085 19849 1468 1 3 . 1 1 88 88 THR C C 88 174.488 174.488 174.126 0.362 19849 1469 1 3 . 1 1 88 88 THR CA C 88 62.115 62.115 62.978 -0.863 19849 1470 1 3 . 1 1 88 88 THR CB C 88 69.626 69.626 69.711 -0.085 19849 1471 1 3 . 1 1 88 88 THR H H 88 7.997 7.997 7.313 0.684 19849 1472 1 3 . 1 1 89 89 LEU N N 89 124.655 124.655 121.318 3.337 19849 1473 1 3 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.577 -0.221 19849 1474 1 3 . 1 1 89 89 LEU C C 89 177.367 177.367 177.162 0.205 19849 1475 1 3 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.298 -1.035 19849 1476 1 3 . 1 1 89 89 LEU CB C 89 42.492 42.492 42.792 -0.300 19849 1477 1 3 . 1 1 89 89 LEU H H 89 8.119 8.119 7.591 0.528 19849 1478 1 3 . 1 1 90 90 THR N N 90 115.527 115.527 112.875 2.652 19849 1479 1 3 . 1 1 90 90 THR HA H 90 4.261 4.261 4.152 0.109 19849 1480 1 3 . 1 1 90 90 THR CA C 90 61.707 61.707 63.759 -2.052 19849 1481 1 3 . 1 1 90 90 THR CB C 90 69.825 69.825 68.999 0.826 19849 1482 1 3 . 1 1 90 90 THR H H 90 8.086 8.086 7.833 0.253 19849 1483 1 3 . 1 1 91 91 LYS N N 91 123.923 123.923 118.784 5.139 19849 1484 1 3 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.510 -0.217 19849 1485 1 3 . 1 1 91 91 LYS C C 91 175.949 175.949 176.158 -0.209 19849 1486 1 3 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.150 0.014 19849 1487 1 3 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.056 0.203 19849 1488 1 3 . 1 1 91 91 LYS H H 91 8.272 8.272 7.704 0.568 19849 1489 1 3 . 1 1 92 92 ASP N N 92 122.237 122.237 118.360 3.877 19849 1490 1 3 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.278 0.232 19849 1491 1 3 . 1 1 92 92 ASP C C 92 174.733 174.733 175.484 -0.751 19849 1492 1 3 . 1 1 92 92 ASP CA C 92 54.535 54.535 57.168 -2.633 19849 1493 1 3 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.253 0.858 19849 1494 1 3 . 1 1 92 92 ASP H H 92 8.340 8.340 8.503 -0.163 19849 1495 1 4 . 1 1 2 2 VAL N N 2 120.462 120.462 125.657 -5.195 19849 1496 1 4 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.647 -0.139 19849 1497 1 4 . 1 1 2 2 VAL C C 2 174.797 174.797 174.025 0.772 19849 1498 1 4 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.272 0.013 19849 1499 1 4 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.995 -1.174 19849 1500 1 4 . 1 1 2 2 VAL H H 2 8.729 8.729 8.477 0.252 19849 1501 1 4 . 1 1 3 3 THR N N 3 113.531 113.531 116.198 -2.667 19849 1502 1 4 . 1 1 3 3 THR HA H 3 4.794 4.794 4.857 -0.063 19849 1503 1 4 . 1 1 3 3 THR C C 3 175.419 175.419 174.853 0.566 19849 1504 1 4 . 1 1 3 3 THR CA C 3 59.466 59.466 60.043 -0.577 19849 1505 1 4 . 1 1 3 3 THR H H 3 7.740 7.740 8.278 -0.538 19849 1506 1 4 . 1 1 4 4 LYS N N 4 121.981 121.981 121.748 0.233 19849 1507 1 4 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.589 -0.152 19849 1508 1 4 . 1 1 4 4 LYS C C 4 177.186 177.186 177.899 -0.713 19849 1509 1 4 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.960 0.756 19849 1510 1 4 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.100 1.110 19849 1511 1 4 . 1 1 4 4 LYS H H 4 9.168 9.168 8.945 0.223 19849 1512 1 4 . 1 1 5 5 GLU N N 5 117.723 117.723 117.655 0.068 19849 1513 1 4 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.019 0.033 19849 1514 1 4 . 1 1 5 5 GLU C C 5 179.351 179.351 178.644 0.707 19849 1515 1 4 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.623 0.885 19849 1516 1 4 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.336 -0.942 19849 1517 1 4 . 1 1 5 5 GLU H H 5 8.835 8.835 8.642 0.193 19849 1518 1 4 . 1 1 6 6 GLN N N 6 122.133 122.133 118.019 4.114 19849 1519 1 4 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.140 -0.131 19849 1520 1 4 . 1 1 6 6 GLN C C 6 178.109 178.109 178.045 0.064 19849 1521 1 4 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.388 0.490 19849 1522 1 4 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.130 0.743 19849 1523 1 4 . 1 1 6 6 GLN H H 6 7.867 7.867 7.790 0.077 19849 1524 1 4 . 1 1 7 7 VAL N N 7 120.130 120.130 120.924 -0.794 19849 1525 1 4 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.599 -0.462 19849 1526 1 4 . 1 1 7 7 VAL C C 7 177.807 177.807 178.000 -0.193 19849 1527 1 4 . 1 1 7 7 VAL CA C 7 66.513 66.513 65.874 0.639 19849 1528 1 4 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.533 0.708 19849 1529 1 4 . 1 1 7 7 VAL H H 7 7.447 7.447 7.316 0.131 19849 1530 1 4 . 1 1 8 8 GLU N N 8 117.342 117.342 120.205 -2.863 19849 1531 1 4 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.893 -0.323 19849 1532 1 4 . 1 1 8 8 GLU C C 8 174.166 174.166 178.764 -4.598 19849 1533 1 4 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.674 0.025 19849 1534 1 4 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.775 1.069 19849 1535 1 4 . 1 1 8 8 GLU H H 8 8.529 8.529 8.330 0.199 19849 1536 1 4 . 1 1 9 9 ALA N N 9 124.344 124.344 120.607 3.737 19849 1537 1 4 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.242 0.178 19849 1538 1 4 . 1 1 9 9 ALA C C 9 177.996 177.996 179.632 -1.636 19849 1539 1 4 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.534 0.989 19849 1540 1 4 . 1 1 9 9 ALA H H 9 8.301 8.301 7.595 0.706 19849 1541 1 4 . 1 1 10 10 SER N N 10 117.198 117.198 115.652 1.546 19849 1542 1 4 . 1 1 10 10 SER HA H 10 4.374 4.374 4.229 0.145 19849 1543 1 4 . 1 1 10 10 SER C C 10 175.219 175.219 176.622 -1.403 19849 1544 1 4 . 1 1 10 10 SER CA C 10 62.207 62.207 61.709 0.498 19849 1545 1 4 . 1 1 10 10 SER H H 10 8.303 8.303 7.735 0.568 19849 1546 1 4 . 1 1 11 11 LEU N N 11 118.287 118.287 121.521 -3.234 19849 1547 1 4 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.088 -0.274 19849 1548 1 4 . 1 1 11 11 LEU C C 11 179.247 179.247 178.951 0.296 19849 1549 1 4 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.788 0.421 19849 1550 1 4 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.694 0.834 19849 1551 1 4 . 1 1 11 11 LEU H H 11 7.973 7.973 8.501 -0.528 19849 1552 1 4 . 1 1 12 12 THR N N 12 116.416 116.416 114.915 1.501 19849 1553 1 4 . 1 1 12 12 THR HA H 12 3.530 3.530 3.988 -0.458 19849 1554 1 4 . 1 1 12 12 THR C C 12 176.464 176.464 176.231 0.233 19849 1555 1 4 . 1 1 12 12 THR CA C 12 67.016 67.016 66.820 0.196 19849 1556 1 4 . 1 1 12 12 THR CB C 12 68.586 68.586 68.232 0.354 19849 1557 1 4 . 1 1 12 12 THR H H 12 8.440 8.440 7.823 0.617 19849 1558 1 4 . 1 1 13 13 SER N N 13 115.144 115.144 116.737 -1.593 19849 1559 1 4 . 1 1 13 13 SER HA H 13 4.105 4.105 4.423 -0.318 19849 1560 1 4 . 1 1 13 13 SER C C 13 176.285 176.285 175.619 0.666 19849 1561 1 4 . 1 1 13 13 SER CA C 13 61.032 61.032 61.072 -0.040 19849 1562 1 4 . 1 1 13 13 SER CB C 13 63.045 63.045 63.512 -0.467 19849 1563 1 4 . 1 1 13 13 SER H H 13 8.022 8.022 7.690 0.332 19849 1564 1 4 . 1 1 14 14 LYS N N 14 116.028 116.028 120.238 -4.210 19849 1565 1 4 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.288 0.022 19849 1566 1 4 . 1 1 14 14 LYS C C 14 178.041 178.041 177.427 0.614 19849 1567 1 4 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.372 -0.530 19849 1568 1 4 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.409 0.448 19849 1569 1 4 . 1 1 14 14 LYS H H 14 7.466 7.466 7.925 -0.459 19849 1570 1 4 . 1 1 15 15 LEU N N 15 114.405 114.405 116.265 -1.860 19849 1571 1 4 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.513 -0.094 19849 1572 1 4 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.155 0.769 19849 1573 1 4 . 1 1 15 15 LEU CB C 15 42.360 42.360 42.726 -0.366 19849 1574 1 4 . 1 1 15 15 LEU H H 15 7.842 7.842 7.859 -0.017 19849 1575 1 4 . 1 1 16 16 LYS N N 16 116.513 116.513 117.098 -0.585 19849 1576 1 4 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.198 -0.078 19849 1577 1 4 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.444 -0.147 19849 1578 1 4 . 1 1 16 16 LYS H H 16 7.421 7.421 7.456 -0.035 19849 1579 1 4 . 1 1 17 17 PRO C C 17 177.159 177.159 175.319 1.840 19849 1580 1 4 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.635 -0.740 19849 1581 1 4 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.451 2.856 19849 1582 1 4 . 1 1 18 18 ILE N N 18 116.671 116.671 120.852 -4.181 19849 1583 1 4 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.237 0.057 19849 1584 1 4 . 1 1 18 18 ILE C C 18 175.085 175.085 176.300 -1.215 19849 1585 1 4 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.568 -0.541 19849 1586 1 4 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.468 0.548 19849 1587 1 4 . 1 1 18 18 ILE H H 18 7.917 7.917 8.168 -0.251 19849 1588 1 4 . 1 1 19 19 HIS N N 19 117.574 117.574 119.210 -1.636 19849 1589 1 4 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.747 -0.305 19849 1590 1 4 . 1 1 19 19 HIS C C 19 171.727 171.727 172.902 -1.175 19849 1591 1 4 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.481 0.893 19849 1592 1 4 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.573 1.986 19849 1593 1 4 . 1 1 19 19 HIS H H 19 6.968 6.968 7.870 -0.902 19849 1594 1 4 . 1 1 20 20 LEU N N 20 128.803 128.803 126.927 1.876 19849 1595 1 4 . 1 1 20 20 LEU HA H 20 4.806 4.806 4.962 -0.156 19849 1596 1 4 . 1 1 20 20 LEU C C 20 173.636 173.636 175.794 -2.158 19849 1597 1 4 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.045 -0.621 19849 1598 1 4 . 1 1 20 20 LEU CB C 20 45.564 45.564 43.986 1.578 19849 1599 1 4 . 1 1 20 20 LEU H H 20 7.928 7.928 8.320 -0.392 19849 1600 1 4 . 1 1 21 21 GLU N N 21 125.639 125.639 123.735 1.904 19849 1601 1 4 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.603 -0.093 19849 1602 1 4 . 1 1 21 21 GLU C C 21 174.143 174.143 174.809 -0.666 19849 1603 1 4 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.242 0.467 19849 1604 1 4 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.772 1.821 19849 1605 1 4 . 1 1 21 21 GLU H H 21 8.703 8.703 8.436 0.267 19849 1606 1 4 . 1 1 22 22 VAL N N 22 126.675 126.675 122.132 4.543 19849 1607 1 4 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.778 -0.161 19849 1608 1 4 . 1 1 22 22 VAL C C 22 173.843 173.843 175.329 -1.486 19849 1609 1 4 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.763 0.596 19849 1610 1 4 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.784 0.887 19849 1611 1 4 . 1 1 22 22 VAL H H 22 8.936 8.936 8.734 0.202 19849 1612 1 4 . 1 1 23 23 ILE N N 23 126.078 126.078 127.664 -1.586 19849 1613 1 4 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.358 0.115 19849 1614 1 4 . 1 1 23 23 ILE C C 23 175.007 175.007 175.396 -0.389 19849 1615 1 4 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.226 0.220 19849 1616 1 4 . 1 1 23 23 ILE CB C 23 41.237 41.237 36.111 5.126 19849 1617 1 4 . 1 1 23 23 ILE H H 23 9.099 9.099 9.005 0.094 19849 1618 1 4 . 1 1 24 24 ASP N N 24 127.026 127.026 129.437 -2.411 19849 1619 1 4 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.536 0.074 19849 1620 1 4 . 1 1 24 24 ASP C C 24 176.888 176.888 176.271 0.617 19849 1621 1 4 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.125 -1.261 19849 1622 1 4 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.110 -0.078 19849 1623 1 4 . 1 1 24 24 ASP H H 24 9.152 9.152 8.486 0.666 19849 1624 1 4 . 1 1 25 25 ILE N N 25 123.148 123.148 127.276 -4.128 19849 1625 1 4 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.189 0.403 19849 1626 1 4 . 1 1 25 25 ILE C C 25 175.765 175.765 176.575 -0.810 19849 1627 1 4 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.516 -0.404 19849 1628 1 4 . 1 1 25 25 ILE CB C 25 36.913 36.913 37.725 -0.812 19849 1629 1 4 . 1 1 25 25 ILE H H 25 7.915 7.915 8.220 -0.305 19849 1630 1 4 . 1 1 26 26 SER N N 26 119.373 119.373 113.927 5.446 19849 1631 1 4 . 1 1 26 26 SER HA H 26 4.520 4.520 4.690 -0.170 19849 1632 1 4 . 1 1 26 26 SER C C 26 175.488 175.488 174.734 0.754 19849 1633 1 4 . 1 1 26 26 SER CA C 26 58.030 58.030 58.592 -0.562 19849 1634 1 4 . 1 1 26 26 SER CB C 26 64.605 64.605 65.517 -0.912 19849 1635 1 4 . 1 1 26 26 SER H H 26 9.175 9.175 8.629 0.546 19849 1636 1 4 . 1 1 27 27 GLY N N 27 111.902 111.902 110.941 0.961 19849 1637 1 4 . 1 1 27 27 GLY C C 27 175.418 175.418 173.726 1.692 19849 1638 1 4 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.489 0.946 19849 1639 1 4 . 1 1 27 27 GLY H H 27 8.417 8.417 7.749 0.668 19849 1640 1 4 . 1 1 28 28 GLY N N 28 106.936 106.936 107.793 -0.857 19849 1641 1 4 . 1 1 28 28 GLY C C 28 177.627 177.627 175.740 1.887 19849 1642 1 4 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.661 -0.033 19849 1643 1 4 . 1 1 28 28 GLY H H 28 7.864 7.864 8.268 -0.404 19849 1644 1 4 . 1 1 29 29 CYS N N 29 116.829 116.829 118.797 -1.968 19849 1645 1 4 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.950 -0.587 19849 1646 1 4 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.236 0.204 19849 1647 1 4 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.400 -0.542 19849 1648 1 4 . 1 1 29 29 CYS H H 29 7.380 7.380 8.179 -0.799 19849 1649 1 4 . 1 1 30 30 GLY N N 30 111.626 111.626 109.206 2.420 19849 1650 1 4 . 1 1 30 30 GLY C C 30 173.383 173.383 174.109 -0.726 19849 1651 1 4 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.878 1.208 19849 1652 1 4 . 1 1 30 30 GLY H H 30 8.965 8.965 8.264 0.701 19849 1653 1 4 . 1 1 31 31 SER N N 31 111.735 111.735 116.899 -5.164 19849 1654 1 4 . 1 1 31 31 SER HA H 31 4.639 4.639 3.971 0.668 19849 1655 1 4 . 1 1 31 31 SER C C 31 174.246 174.246 173.426 0.820 19849 1656 1 4 . 1 1 31 31 SER CA C 31 58.203 58.203 59.295 -1.092 19849 1657 1 4 . 1 1 31 31 SER CB C 31 64.459 64.459 62.401 2.058 19849 1658 1 4 . 1 1 31 31 SER H H 31 8.220 8.220 7.970 0.250 19849 1659 1 4 . 1 1 32 32 SER N N 32 116.259 116.259 119.447 -3.188 19849 1660 1 4 . 1 1 32 32 SER HA H 32 5.346 5.346 5.064 0.282 19849 1661 1 4 . 1 1 32 32 SER C C 32 176.363 176.363 172.452 3.911 19849 1662 1 4 . 1 1 32 32 SER CA C 32 57.400 57.400 56.965 0.435 19849 1663 1 4 . 1 1 32 32 SER CB C 32 62.866 62.866 65.135 -2.269 19849 1664 1 4 . 1 1 32 32 SER H H 32 7.253 7.253 8.369 -1.116 19849 1665 1 4 . 1 1 33 33 PHE N N 33 118.533 118.533 123.316 -4.783 19849 1666 1 4 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.084 0.572 19849 1667 1 4 . 1 1 33 33 PHE C C 33 174.163 174.163 175.059 -0.896 19849 1668 1 4 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.313 0.069 19849 1669 1 4 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.315 2.135 19849 1670 1 4 . 1 1 33 33 PHE H H 33 7.995 7.995 9.292 -1.297 19849 1671 1 4 . 1 1 34 34 GLU N N 34 122.301 122.301 122.677 -0.376 19849 1672 1 4 . 1 1 34 34 GLU HA H 34 5.560 5.560 5.005 0.555 19849 1673 1 4 . 1 1 34 34 GLU C C 34 175.902 175.902 175.577 0.325 19849 1674 1 4 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.312 -0.936 19849 1675 1 4 . 1 1 34 34 GLU CB C 34 33.543 33.543 31.508 2.035 19849 1676 1 4 . 1 1 34 34 GLU H H 34 9.436 9.436 8.678 0.758 19849 1677 1 4 . 1 1 35 35 VAL N N 35 118.350 118.350 127.304 -8.954 19849 1678 1 4 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.465 0.904 19849 1679 1 4 . 1 1 35 35 VAL C C 35 174.616 174.616 174.254 0.362 19849 1680 1 4 . 1 1 35 35 VAL CA C 35 59.364 59.364 60.616 -1.252 19849 1681 1 4 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.485 1.693 19849 1682 1 4 . 1 1 35 35 VAL H H 35 8.784 8.784 8.664 0.120 19849 1683 1 4 . 1 1 36 36 GLU N N 36 123.537 123.537 128.836 -5.299 19849 1684 1 4 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.808 0.161 19849 1685 1 4 . 1 1 36 36 GLU C C 36 174.745 174.745 175.666 -0.921 19849 1686 1 4 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.082 0.109 19849 1687 1 4 . 1 1 36 36 GLU CB C 36 33.086 33.086 30.550 2.536 19849 1688 1 4 . 1 1 36 36 GLU H H 36 8.859 8.859 8.883 -0.024 19849 1689 1 4 . 1 1 37 37 VAL N N 37 120.272 120.272 120.048 0.224 19849 1690 1 4 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.632 -1.020 19849 1691 1 4 . 1 1 37 37 VAL C C 37 172.679 172.679 175.028 -2.349 19849 1692 1 4 . 1 1 37 37 VAL CA C 37 60.290 60.290 59.249 1.041 19849 1693 1 4 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.908 0.113 19849 1694 1 4 . 1 1 37 37 VAL H H 37 8.497 8.497 8.903 -0.406 19849 1695 1 4 . 1 1 38 38 VAL N N 38 127.971 127.971 122.503 5.468 19849 1696 1 4 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.245 0.012 19849 1697 1 4 . 1 1 38 38 VAL C C 38 175.842 175.842 174.594 1.248 19849 1698 1 4 . 1 1 38 38 VAL CA C 38 59.474 59.474 61.430 -1.956 19849 1699 1 4 . 1 1 38 38 VAL CB C 38 33.115 33.115 33.079 0.036 19849 1700 1 4 . 1 1 38 38 VAL H H 38 8.169 8.169 8.202 -0.033 19849 1701 1 4 . 1 1 39 39 SER N N 39 117.426 117.426 119.317 -1.891 19849 1702 1 4 . 1 1 39 39 SER HA H 39 4.821 4.821 4.776 0.045 19849 1703 1 4 . 1 1 39 39 SER C C 39 175.323 175.323 174.280 1.043 19849 1704 1 4 . 1 1 39 39 SER CA C 39 55.888 55.888 55.490 0.398 19849 1705 1 4 . 1 1 39 39 SER CB C 39 64.183 64.183 65.527 -1.344 19849 1706 1 4 . 1 1 39 39 SER H H 39 8.304 8.304 7.829 0.475 19849 1707 1 4 . 1 1 40 40 GLU N N 40 131.571 131.571 124.203 7.368 19849 1708 1 4 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.016 0.103 19849 1709 1 4 . 1 1 40 40 GLU C C 40 177.887 177.887 176.805 1.082 19849 1710 1 4 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.654 0.027 19849 1711 1 4 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.084 0.546 19849 1712 1 4 . 1 1 40 40 GLU H H 40 9.911 9.911 9.022 0.889 19849 1713 1 4 . 1 1 41 41 GLN N N 41 117.534 117.534 117.688 -0.154 19849 1714 1 4 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.212 -0.228 19849 1715 1 4 . 1 1 41 41 GLN C C 41 176.391 176.391 175.295 1.096 19849 1716 1 4 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.874 0.569 19849 1717 1 4 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.828 0.075 19849 1718 1 4 . 1 1 41 41 GLN H H 41 8.219 8.219 7.896 0.323 19849 1719 1 4 . 1 1 42 42 PHE N N 42 113.224 113.224 115.976 -2.752 19849 1720 1 4 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.762 -0.236 19849 1721 1 4 . 1 1 42 42 PHE C C 42 175.064 175.064 175.045 0.019 19849 1722 1 4 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.426 -0.287 19849 1723 1 4 . 1 1 42 42 PHE CB C 42 37.636 37.636 39.296 -1.660 19849 1724 1 4 . 1 1 42 42 PHE H H 42 6.894 6.894 7.823 -0.929 19849 1725 1 4 . 1 1 43 43 GLU N N 43 121.136 121.136 121.984 -0.848 19849 1726 1 4 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.460 -0.493 19849 1727 1 4 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.041 2.320 19849 1728 1 4 . 1 1 43 43 GLU CB C 43 29.234 29.234 29.439 -0.205 19849 1729 1 4 . 1 1 43 43 GLU H H 43 7.469 7.469 7.514 -0.045 19849 1730 1 4 . 1 1 44 44 GLY N N 44 114.819 114.819 116.945 -2.126 19849 1731 1 4 . 1 1 44 44 GLY C C 44 174.101 174.101 174.148 -0.047 19849 1732 1 4 . 1 1 44 44 GLY CA C 44 45.625 45.625 45.974 -0.349 19849 1733 1 4 . 1 1 44 44 GLY H H 44 9.014 9.014 8.880 0.134 19849 1734 1 4 . 1 1 45 45 LYS N N 45 118.678 118.678 120.168 -1.490 19849 1735 1 4 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.607 0.082 19849 1736 1 4 . 1 1 45 45 LYS C C 45 177.858 177.858 175.361 2.497 19849 1737 1 4 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.280 -0.719 19849 1738 1 4 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.601 -1.160 19849 1739 1 4 . 1 1 45 45 LYS H H 45 7.932 7.932 7.541 0.391 19849 1740 1 4 . 1 1 46 46 ARG N N 46 125.430 125.430 121.731 3.699 19849 1741 1 4 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.404 -0.111 19849 1742 1 4 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.682 0.097 19849 1743 1 4 . 1 1 46 46 ARG H H 46 9.288 9.288 8.670 0.618 19849 1744 1 4 . 1 1 47 47 LEU N N 47 124.205 124.205 125.725 -1.520 19849 1745 1 4 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.698 0.004 19849 1746 1 4 . 1 1 47 47 LEU C C 47 178.476 178.476 178.526 -0.050 19849 1747 1 4 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.383 2.306 19849 1748 1 4 . 1 1 47 47 LEU H H 47 8.320 8.320 8.925 -0.605 19849 1749 1 4 . 1 1 48 48 LEU N N 48 115.874 115.874 117.915 -2.041 19849 1750 1 4 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.119 -0.347 19849 1751 1 4 . 1 1 48 48 LEU C C 48 179.985 179.985 179.465 0.520 19849 1752 1 4 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.900 0.723 19849 1753 1 4 . 1 1 48 48 LEU H H 48 8.587 8.587 8.126 0.461 19849 1754 1 4 . 1 1 49 49 GLU N N 49 118.216 118.216 118.936 -0.720 19849 1755 1 4 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.025 0.083 19849 1756 1 4 . 1 1 49 49 GLU C C 49 177.944 177.944 179.533 -1.589 19849 1757 1 4 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.142 -0.724 19849 1758 1 4 . 1 1 49 49 GLU H H 49 6.964 6.964 7.822 -0.858 19849 1759 1 4 . 1 1 50 50 ARG N N 50 119.674 119.674 119.810 -0.136 19849 1760 1 4 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.279 -0.362 19849 1761 1 4 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.654 -0.580 19849 1762 1 4 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.078 -1.067 19849 1763 1 4 . 1 1 50 50 ARG H H 50 7.991 7.991 8.348 -0.357 19849 1764 1 4 . 1 1 51 51 HIS N N 51 117.056 117.056 118.059 -1.003 19849 1765 1 4 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.391 -0.395 19849 1766 1 4 . 1 1 51 51 HIS C C 51 176.638 176.638 177.834 -1.196 19849 1767 1 4 . 1 1 51 51 HIS H H 51 8.294 8.294 8.172 0.122 19849 1768 1 4 . 1 1 52 52 ARG N N 52 120.626 120.626 119.403 1.223 19849 1769 1 4 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.129 0.089 19849 1770 1 4 . 1 1 52 52 ARG C C 52 179.014 179.014 177.666 1.348 19849 1771 1 4 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.982 1.010 19849 1772 1 4 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.246 -0.687 19849 1773 1 4 . 1 1 52 52 ARG H H 52 8.001 8.001 8.384 -0.383 19849 1774 1 4 . 1 1 53 53 MET N N 53 119.087 119.087 118.193 0.894 19849 1775 1 4 . 1 1 53 53 MET HA H 53 4.006 4.006 4.461 -0.455 19849 1776 1 4 . 1 1 53 53 MET C C 53 179.286 179.286 178.064 1.222 19849 1777 1 4 . 1 1 53 53 MET CA C 53 59.404 59.404 56.879 2.525 19849 1778 1 4 . 1 1 53 53 MET CB C 53 34.976 34.976 32.986 1.990 19849 1779 1 4 . 1 1 53 53 MET H H 53 8.162 8.162 7.556 0.606 19849 1780 1 4 . 1 1 54 54 VAL N N 54 120.886 120.886 120.178 0.708 19849 1781 1 4 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.777 -0.352 19849 1782 1 4 . 1 1 54 54 VAL C C 54 176.296 176.296 177.812 -1.516 19849 1783 1 4 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.047 0.786 19849 1784 1 4 . 1 1 54 54 VAL CB C 54 31.444 31.444 31.936 -0.492 19849 1785 1 4 . 1 1 54 54 VAL H H 54 7.790 7.790 8.326 -0.536 19849 1786 1 4 . 1 1 55 55 ASN N N 55 116.881 116.881 117.538 -0.657 19849 1787 1 4 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.488 -0.475 19849 1788 1 4 . 1 1 55 55 ASN C C 55 178.422 178.422 176.759 1.663 19849 1789 1 4 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.367 1.762 19849 1790 1 4 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.364 0.504 19849 1791 1 4 . 1 1 55 55 ASN H H 55 8.032 8.032 8.651 -0.619 19849 1792 1 4 . 1 1 56 56 ALA N N 56 121.164 121.164 122.796 -1.632 19849 1793 1 4 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.119 -0.036 19849 1794 1 4 . 1 1 56 56 ALA C C 56 180.700 180.700 178.857 1.843 19849 1795 1 4 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.634 -0.034 19849 1796 1 4 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.275 -0.013 19849 1797 1 4 . 1 1 56 56 ALA H H 56 8.578 8.578 7.728 0.850 19849 1798 1 4 . 1 1 57 57 ALA N N 57 121.156 121.156 118.841 2.315 19849 1799 1 4 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.451 -0.419 19849 1800 1 4 . 1 1 57 57 ALA C C 57 177.240 177.240 177.186 0.054 19849 1801 1 4 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.867 0.220 19849 1802 1 4 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.350 -0.888 19849 1803 1 4 . 1 1 57 57 ALA H H 57 7.609 7.609 7.613 -0.004 19849 1804 1 4 . 1 1 58 58 LEU N N 58 116.065 116.065 116.421 -0.356 19849 1805 1 4 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.966 -0.071 19849 1806 1 4 . 1 1 58 58 LEU C C 58 176.446 176.446 177.508 -1.062 19849 1807 1 4 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.012 -2.491 19849 1808 1 4 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.500 0.253 19849 1809 1 4 . 1 1 58 58 LEU H H 58 6.995 6.995 7.132 -0.137 19849 1810 1 4 . 1 1 59 59 GLU N N 59 120.288 120.288 122.144 -1.856 19849 1811 1 4 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.991 -0.217 19849 1812 1 4 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.411 0.325 19849 1813 1 4 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.622 0.385 19849 1814 1 4 . 1 1 59 59 GLU H H 59 7.034 7.034 8.284 -1.250 19849 1815 1 4 . 1 1 60 60 GLU N N 60 116.322 116.322 118.107 -1.785 19849 1816 1 4 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.088 -0.058 19849 1817 1 4 . 1 1 60 60 GLU C C 60 179.270 179.270 177.943 1.327 19849 1818 1 4 . 1 1 60 60 GLU CA C 60 58.693 58.693 58.872 -0.179 19849 1819 1 4 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.265 1.051 19849 1820 1 4 . 1 1 60 60 GLU H H 60 8.622 8.622 8.668 -0.046 19849 1821 1 4 . 1 1 61 61 GLU N N 61 121.506 121.506 119.392 2.114 19849 1822 1 4 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.072 -0.182 19849 1823 1 4 . 1 1 61 61 GLU C C 61 179.010 179.010 178.050 0.960 19849 1824 1 4 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.155 1.807 19849 1825 1 4 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.189 -0.713 19849 1826 1 4 . 1 1 61 61 GLU H H 61 8.946 8.946 7.952 0.994 19849 1827 1 4 . 1 1 62 62 MET N N 62 116.213 116.213 117.831 -1.618 19849 1828 1 4 . 1 1 62 62 MET HA H 62 4.312 4.312 4.180 0.132 19849 1829 1 4 . 1 1 62 62 MET CA C 62 56.302 56.302 58.462 -2.160 19849 1830 1 4 . 1 1 62 62 MET CB C 62 30.553 30.553 32.826 -2.273 19849 1831 1 4 . 1 1 62 62 MET H H 62 8.693 8.693 7.954 0.739 19849 1832 1 4 . 1 1 63 63 LYS N N 63 116.969 116.969 116.093 0.876 19849 1833 1 4 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.130 -0.045 19849 1834 1 4 . 1 1 63 63 LYS C C 63 177.541 177.541 177.588 -0.047 19849 1835 1 4 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.852 0.875 19849 1836 1 4 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.494 0.031 19849 1837 1 4 . 1 1 63 63 LYS H H 63 7.470 7.470 7.568 -0.098 19849 1838 1 4 . 1 1 64 64 GLU N N 64 115.556 115.556 118.332 -2.776 19849 1839 1 4 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.314 0.151 19849 1840 1 4 . 1 1 64 64 GLU C C 64 175.679 175.679 176.653 -0.974 19849 1841 1 4 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.511 -0.908 19849 1842 1 4 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.367 0.903 19849 1843 1 4 . 1 1 64 64 GLU H H 64 7.773 7.773 7.750 0.023 19849 1844 1 4 . 1 1 65 65 ILE N N 65 120.461 120.461 114.106 6.355 19849 1845 1 4 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.244 -0.165 19849 1846 1 4 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.434 2.274 19849 1847 1 4 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.860 0.222 19849 1848 1 4 . 1 1 65 65 ILE H H 65 7.502 7.502 7.642 -0.140 19849 1849 1 4 . 1 1 66 66 HIS N N 66 125.683 125.683 116.766 8.917 19849 1850 1 4 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.734 -0.189 19849 1851 1 4 . 1 1 66 66 HIS CA C 66 57.683 57.683 56.154 1.529 19849 1852 1 4 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.852 -1.575 19849 1853 1 4 . 1 1 66 66 HIS H H 66 9.196 9.196 8.000 1.196 19849 1854 1 4 . 1 1 67 67 ALA N N 67 120.229 120.229 121.571 -1.342 19849 1855 1 4 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.552 -0.128 19849 1856 1 4 . 1 1 67 67 ALA C C 67 173.834 173.834 175.282 -1.448 19849 1857 1 4 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.323 -0.174 19849 1858 1 4 . 1 1 67 67 ALA CB C 67 21.441 21.441 21.308 0.133 19849 1859 1 4 . 1 1 67 67 ALA H H 67 7.493 7.493 7.763 -0.270 19849 1860 1 4 . 1 1 68 68 LEU N N 68 124.546 124.546 124.566 -0.020 19849 1861 1 4 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.436 -0.442 19849 1862 1 4 . 1 1 68 68 LEU C C 68 175.157 175.157 176.100 -0.943 19849 1863 1 4 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.060 -0.869 19849 1864 1 4 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.156 -0.388 19849 1865 1 4 . 1 1 68 68 LEU H H 68 8.557 8.557 8.678 -0.121 19849 1866 1 4 . 1 1 69 69 SER N N 69 122.077 122.077 121.732 0.345 19849 1867 1 4 . 1 1 69 69 SER HA H 69 4.677 4.677 4.715 -0.038 19849 1868 1 4 . 1 1 69 69 SER C C 69 173.548 173.548 173.412 0.136 19849 1869 1 4 . 1 1 69 69 SER CA C 69 55.803 55.803 57.654 -1.851 19849 1870 1 4 . 1 1 69 69 SER CB C 69 63.549 63.549 64.145 -0.596 19849 1871 1 4 . 1 1 69 69 SER H H 69 8.854 8.854 9.181 -0.327 19849 1872 1 4 . 1 1 70 70 ILE N N 70 129.143 129.143 128.894 0.249 19849 1873 1 4 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.374 -0.268 19849 1874 1 4 . 1 1 70 70 ILE C C 70 175.059 175.059 175.606 -0.547 19849 1875 1 4 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.562 0.071 19849 1876 1 4 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.699 -1.272 19849 1877 1 4 . 1 1 70 70 ILE H H 70 8.922 8.922 8.827 0.095 19849 1878 1 4 . 1 1 71 71 LYS N N 71 130.019 130.019 127.166 2.853 19849 1879 1 4 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.126 -0.054 19849 1880 1 4 . 1 1 71 71 LYS C C 71 177.201 177.201 177.112 0.089 19849 1881 1 4 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.086 -0.148 19849 1882 1 4 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.730 0.696 19849 1883 1 4 . 1 1 71 71 LYS H H 71 8.676 8.676 8.767 -0.091 19849 1884 1 4 . 1 1 72 72 LYS N N 72 113.659 113.659 119.511 -5.852 19849 1885 1 4 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.529 -0.054 19849 1886 1 4 . 1 1 72 72 LYS C C 72 174.013 174.013 174.116 -0.103 19849 1887 1 4 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.770 0.194 19849 1888 1 4 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.470 2.224 19849 1889 1 4 . 1 1 72 72 LYS H H 72 7.195 7.195 7.511 -0.316 19849 1890 1 4 . 1 1 73 73 ALA N N 73 129.019 129.019 128.699 0.320 19849 1891 1 4 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.581 0.621 19849 1892 1 4 . 1 1 73 73 ALA C C 73 175.410 175.410 175.288 0.122 19849 1893 1 4 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.635 0.313 19849 1894 1 4 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.878 -2.191 19849 1895 1 4 . 1 1 73 73 ALA H H 73 8.847 8.847 8.731 0.116 19849 1896 1 4 . 1 1 74 74 GLN N N 74 120.993 120.993 122.385 -1.392 19849 1897 1 4 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.771 0.075 19849 1898 1 4 . 1 1 74 74 GLN C C 74 175.603 175.603 174.300 1.303 19849 1899 1 4 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.398 0.375 19849 1900 1 4 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.549 0.406 19849 1901 1 4 . 1 1 74 74 GLN H H 74 8.398 8.398 7.970 0.428 19849 1902 1 4 . 1 1 75 75 THR N N 75 111.917 111.917 112.304 -0.387 19849 1903 1 4 . 1 1 75 75 THR HA H 75 4.866 4.866 4.844 0.022 19849 1904 1 4 . 1 1 75 75 THR CA C 75 59.600 59.600 58.222 1.378 19849 1905 1 4 . 1 1 75 75 THR H H 75 8.920 8.920 8.716 0.204 19849 1906 1 4 . 1 1 76 76 PRO C C 76 177.659 177.659 177.075 0.584 19849 1907 1 4 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.257 1.186 19849 1908 1 4 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.768 0.108 19849 1909 1 4 . 1 1 77 77 GLN N N 77 114.329 114.329 116.510 -2.181 19849 1910 1 4 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.245 -0.179 19849 1911 1 4 . 1 1 77 77 GLN C C 77 177.630 177.630 177.389 0.241 19849 1912 1 4 . 1 1 77 77 GLN CA C 77 58.652 58.652 57.786 0.866 19849 1913 1 4 . 1 1 77 77 GLN CB C 77 28.238 28.238 28.220 0.018 19849 1914 1 4 . 1 1 77 77 GLN H H 77 8.481 8.481 8.388 0.093 19849 1915 1 4 . 1 1 78 78 GLN N N 78 116.831 116.831 117.056 -0.225 19849 1916 1 4 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.369 -0.276 19849 1917 1 4 . 1 1 78 78 GLN C C 78 176.403 176.403 176.847 -0.444 19849 1918 1 4 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.345 -0.052 19849 1919 1 4 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.330 1.644 19849 1920 1 4 . 1 1 78 78 GLN H H 78 7.503 7.503 7.946 -0.443 19849 1921 1 4 . 1 1 79 79 TRP N N 79 120.561 120.561 120.121 0.440 19849 1922 1 4 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.478 -0.091 19849 1923 1 4 . 1 1 79 79 TRP C C 79 175.429 175.429 177.317 -1.888 19849 1924 1 4 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.732 -1.171 19849 1925 1 4 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.492 1.422 19849 1926 1 4 . 1 1 79 79 TRP H H 79 7.668 7.668 8.208 -0.540 19849 1927 1 4 . 1 1 80 80 LYS N N 80 120.883 120.883 118.331 2.552 19849 1928 1 4 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.216 -0.016 19849 1929 1 4 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.555 -4.517 19849 1930 1 4 . 1 1 80 80 LYS H H 80 7.768 7.768 8.163 -0.395 19849 1931 1 4 . 1 1 82 82 PRO C C 82 176.919 176.919 176.030 0.889 19849 1932 1 4 . 1 1 82 82 PRO CA C 82 62.940 62.940 64.048 -1.108 19849 1933 1 4 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.032 0.994 19849 1934 1 4 . 1 1 83 83 SER N N 83 115.592 115.592 118.103 -2.511 19849 1935 1 4 . 1 1 83 83 SER HA H 83 4.315 4.315 4.421 -0.106 19849 1936 1 4 . 1 1 83 83 SER C C 83 174.665 174.665 173.961 0.704 19849 1937 1 4 . 1 1 83 83 SER CA C 83 58.162 58.162 58.641 -0.479 19849 1938 1 4 . 1 1 83 83 SER CB C 83 63.831 63.831 63.566 0.265 19849 1939 1 4 . 1 1 83 83 SER H H 83 8.264 8.264 8.140 0.124 19849 1940 1 4 . 1 1 84 84 GLN N N 84 122.131 122.131 118.962 3.169 19849 1941 1 4 . 1 1 84 84 GLN HA H 84 4.289 4.289 3.903 0.386 19849 1942 1 4 . 1 1 84 84 GLN C C 84 175.598 175.598 175.971 -0.373 19849 1943 1 4 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.417 -1.566 19849 1944 1 4 . 1 1 84 84 GLN CB C 84 29.619 29.619 28.409 1.210 19849 1945 1 4 . 1 1 84 84 GLN H H 84 8.430 8.430 7.704 0.726 19849 1946 1 4 . 1 1 85 85 ASP N N 85 121.550 121.550 117.733 3.817 19849 1947 1 4 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.615 -0.081 19849 1948 1 4 . 1 1 85 85 ASP C C 85 176.431 176.431 178.679 -2.248 19849 1949 1 4 . 1 1 85 85 ASP CA C 85 54.424 54.424 54.623 -0.199 19849 1950 1 4 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.757 0.513 19849 1951 1 4 . 1 1 85 85 ASP H H 85 8.307 8.307 8.226 0.081 19849 1952 1 4 . 1 1 86 86 SER N N 86 116.617 116.617 116.359 0.258 19849 1953 1 4 . 1 1 86 86 SER HA H 86 4.316 4.316 4.141 0.175 19849 1954 1 4 . 1 1 86 86 SER C C 86 174.590 174.590 175.305 -0.715 19849 1955 1 4 . 1 1 86 86 SER CA C 86 58.797 58.797 61.493 -2.696 19849 1956 1 4 . 1 1 86 86 SER CB C 86 63.667 63.667 63.009 0.658 19849 1957 1 4 . 1 1 86 86 SER H H 86 8.231 8.231 8.208 0.023 19849 1958 1 4 . 1 1 87 87 ALA N N 87 125.663 125.663 119.457 6.206 19849 1959 1 4 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.347 -0.057 19849 1960 1 4 . 1 1 87 87 ALA C C 87 178.018 178.018 177.133 0.885 19849 1961 1 4 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.786 0.166 19849 1962 1 4 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.049 1.068 19849 1963 1 4 . 1 1 87 87 ALA H H 87 8.312 8.312 8.118 0.194 19849 1964 1 4 . 1 1 88 88 THR N N 88 112.987 112.987 111.872 1.115 19849 1965 1 4 . 1 1 88 88 THR HA H 88 4.221 4.221 4.498 -0.277 19849 1966 1 4 . 1 1 88 88 THR C C 88 174.488 174.488 174.117 0.371 19849 1967 1 4 . 1 1 88 88 THR CA C 88 62.115 62.115 62.863 -0.748 19849 1968 1 4 . 1 1 88 88 THR CB C 88 69.626 69.626 69.745 -0.119 19849 1969 1 4 . 1 1 88 88 THR H H 88 7.997 7.997 7.643 0.354 19849 1970 1 4 . 1 1 89 89 LEU N N 89 124.655 124.655 120.151 4.504 19849 1971 1 4 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.578 -0.222 19849 1972 1 4 . 1 1 89 89 LEU C C 89 177.367 177.367 176.260 1.107 19849 1973 1 4 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.925 -1.662 19849 1974 1 4 . 1 1 89 89 LEU CB C 89 42.492 42.492 44.203 -1.711 19849 1975 1 4 . 1 1 89 89 LEU H H 89 8.119 8.119 7.715 0.404 19849 1976 1 4 . 1 1 90 90 THR N N 90 115.527 115.527 115.717 -0.190 19849 1977 1 4 . 1 1 90 90 THR HA H 90 4.261 4.261 4.355 -0.094 19849 1978 1 4 . 1 1 90 90 THR CA C 90 61.707 61.707 63.416 -1.709 19849 1979 1 4 . 1 1 90 90 THR CB C 90 69.825 69.825 69.218 0.607 19849 1980 1 4 . 1 1 90 90 THR H H 90 8.086 8.086 8.333 -0.247 19849 1981 1 4 . 1 1 91 91 LYS N N 91 123.923 123.923 118.323 5.600 19849 1982 1 4 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.044 0.249 19849 1983 1 4 . 1 1 91 91 LYS C C 91 175.949 175.949 175.429 0.520 19849 1984 1 4 . 1 1 91 91 LYS CA C 91 56.164 56.164 57.155 -0.991 19849 1985 1 4 . 1 1 91 91 LYS CB C 91 33.259 33.259 30.058 3.201 19849 1986 1 4 . 1 1 91 91 LYS H H 91 8.272 8.272 8.380 -0.108 19849 1987 1 4 . 1 1 92 92 ASP N N 92 122.237 122.237 114.776 7.461 19849 1988 1 4 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.244 0.266 19849 1989 1 4 . 1 1 92 92 ASP C C 92 174.733 174.733 175.688 -0.955 19849 1990 1 4 . 1 1 92 92 ASP CA C 92 54.535 54.535 55.046 -0.511 19849 1991 1 4 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.121 0.990 19849 1992 1 4 . 1 1 92 92 ASP H H 92 8.340 8.340 8.840 -0.500 19849 1993 1 5 . 1 1 2 2 VAL N N 2 120.462 120.462 120.545 -0.083 19849 1994 1 5 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.566 -0.058 19849 1995 1 5 . 1 1 2 2 VAL C C 2 174.797 174.797 174.127 0.670 19849 1996 1 5 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.513 -0.228 19849 1997 1 5 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.313 -1.492 19849 1998 1 5 . 1 1 2 2 VAL H H 2 8.729 8.729 8.376 0.353 19849 1999 1 5 . 1 1 3 3 THR N N 3 113.531 113.531 121.181 -7.650 19849 2000 1 5 . 1 1 3 3 THR HA H 3 4.794 4.794 4.759 0.035 19849 2001 1 5 . 1 1 3 3 THR C C 3 175.419 175.419 174.393 1.026 19849 2002 1 5 . 1 1 3 3 THR CA C 3 59.466 59.466 60.725 -1.259 19849 2003 1 5 . 1 1 3 3 THR H H 3 7.740 7.740 8.170 -0.430 19849 2004 1 5 . 1 1 4 4 LYS N N 4 121.981 121.981 124.652 -2.671 19849 2005 1 5 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.685 -0.248 19849 2006 1 5 . 1 1 4 4 LYS C C 4 177.186 177.186 177.863 -0.677 19849 2007 1 5 . 1 1 4 4 LYS CA C 4 59.716 59.716 59.211 0.505 19849 2008 1 5 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.934 1.276 19849 2009 1 5 . 1 1 4 4 LYS H H 4 9.168 9.168 8.983 0.185 19849 2010 1 5 . 1 1 5 5 GLU N N 5 117.723 117.723 116.932 0.791 19849 2011 1 5 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.041 0.011 19849 2012 1 5 . 1 1 5 5 GLU C C 5 179.351 179.351 178.446 0.905 19849 2013 1 5 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.431 1.077 19849 2014 1 5 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.288 -0.894 19849 2015 1 5 . 1 1 5 5 GLU H H 5 8.835 8.835 8.814 0.021 19849 2016 1 5 . 1 1 6 6 GLN N N 6 122.133 122.133 118.184 3.949 19849 2017 1 5 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.192 -0.183 19849 2018 1 5 . 1 1 6 6 GLN C C 6 178.109 178.109 177.872 0.237 19849 2019 1 5 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.340 0.538 19849 2020 1 5 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.192 0.681 19849 2021 1 5 . 1 1 6 6 GLN H H 6 7.867 7.867 7.627 0.240 19849 2022 1 5 . 1 1 7 7 VAL N N 7 120.130 120.130 121.597 -1.467 19849 2023 1 5 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.601 -0.464 19849 2024 1 5 . 1 1 7 7 VAL C C 7 177.807 177.807 178.044 -0.237 19849 2025 1 5 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.118 0.396 19849 2026 1 5 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.474 0.767 19849 2027 1 5 . 1 1 7 7 VAL H H 7 7.447 7.447 7.440 0.007 19849 2028 1 5 . 1 1 8 8 GLU N N 8 117.342 117.342 120.082 -2.740 19849 2029 1 5 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.885 -0.315 19849 2030 1 5 . 1 1 8 8 GLU C C 8 174.166 174.166 178.695 -4.529 19849 2031 1 5 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.848 -0.149 19849 2032 1 5 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.869 0.975 19849 2033 1 5 . 1 1 8 8 GLU H H 8 8.529 8.529 8.419 0.110 19849 2034 1 5 . 1 1 9 9 ALA N N 9 124.344 124.344 120.542 3.802 19849 2035 1 5 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.208 0.212 19849 2036 1 5 . 1 1 9 9 ALA C C 9 177.996 177.996 179.990 -1.994 19849 2037 1 5 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.802 0.721 19849 2038 1 5 . 1 1 9 9 ALA H H 9 8.301 8.301 7.585 0.716 19849 2039 1 5 . 1 1 10 10 SER N N 10 117.198 117.198 116.190 1.008 19849 2040 1 5 . 1 1 10 10 SER HA H 10 4.374 4.374 4.292 0.082 19849 2041 1 5 . 1 1 10 10 SER C C 10 175.219 175.219 176.489 -1.270 19849 2042 1 5 . 1 1 10 10 SER CA C 10 62.207 62.207 62.678 -0.471 19849 2043 1 5 . 1 1 10 10 SER H H 10 8.303 8.303 7.814 0.489 19849 2044 1 5 . 1 1 11 11 LEU N N 11 118.287 118.287 121.466 -3.179 19849 2045 1 5 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.072 -0.258 19849 2046 1 5 . 1 1 11 11 LEU C C 11 179.247 179.247 178.853 0.394 19849 2047 1 5 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.617 0.591 19849 2048 1 5 . 1 1 11 11 LEU CB C 11 42.528 42.528 40.934 1.595 19849 2049 1 5 . 1 1 11 11 LEU H H 11 7.973 7.973 8.550 -0.577 19849 2050 1 5 . 1 1 12 12 THR N N 12 116.416 116.416 114.745 1.671 19849 2051 1 5 . 1 1 12 12 THR HA H 12 3.530 3.530 3.964 -0.434 19849 2052 1 5 . 1 1 12 12 THR C C 12 176.464 176.464 176.042 0.422 19849 2053 1 5 . 1 1 12 12 THR CA C 12 67.016 67.016 66.269 0.747 19849 2054 1 5 . 1 1 12 12 THR CB C 12 68.586 68.586 68.456 0.130 19849 2055 1 5 . 1 1 12 12 THR H H 12 8.440 8.440 7.797 0.643 19849 2056 1 5 . 1 1 13 13 SER N N 13 115.144 115.144 117.154 -2.010 19849 2057 1 5 . 1 1 13 13 SER HA H 13 4.105 4.105 4.399 -0.294 19849 2058 1 5 . 1 1 13 13 SER C C 13 176.285 176.285 175.224 1.061 19849 2059 1 5 . 1 1 13 13 SER CA C 13 61.032 61.032 61.125 -0.093 19849 2060 1 5 . 1 1 13 13 SER CB C 13 63.045 63.045 63.546 -0.501 19849 2061 1 5 . 1 1 13 13 SER H H 13 8.022 8.022 7.572 0.450 19849 2062 1 5 . 1 1 14 14 LYS N N 14 116.028 116.028 119.746 -3.718 19849 2063 1 5 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.270 0.040 19849 2064 1 5 . 1 1 14 14 LYS C C 14 178.041 178.041 177.810 0.231 19849 2065 1 5 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.589 -0.747 19849 2066 1 5 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.039 0.818 19849 2067 1 5 . 1 1 14 14 LYS H H 14 7.466 7.466 7.893 -0.427 19849 2068 1 5 . 1 1 15 15 LEU N N 15 114.405 114.405 116.352 -1.947 19849 2069 1 5 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.469 -0.050 19849 2070 1 5 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.170 0.753 19849 2071 1 5 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.657 -1.297 19849 2072 1 5 . 1 1 15 15 LEU H H 15 7.842 7.842 7.981 -0.139 19849 2073 1 5 . 1 1 16 16 LYS N N 16 116.513 116.513 117.173 -0.660 19849 2074 1 5 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.226 -0.106 19849 2075 1 5 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.560 -0.264 19849 2076 1 5 . 1 1 16 16 LYS H H 16 7.421 7.421 7.449 -0.028 19849 2077 1 5 . 1 1 17 17 PRO C C 17 177.159 177.159 175.419 1.740 19849 2078 1 5 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.128 -0.233 19849 2079 1 5 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.455 2.852 19849 2080 1 5 . 1 1 18 18 ILE N N 18 116.671 116.671 121.018 -4.347 19849 2081 1 5 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.015 0.279 19849 2082 1 5 . 1 1 18 18 ILE C C 18 175.085 175.085 176.683 -1.598 19849 2083 1 5 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.237 -1.210 19849 2084 1 5 . 1 1 18 18 ILE CB C 18 39.016 39.016 37.899 1.117 19849 2085 1 5 . 1 1 18 18 ILE H H 18 7.917 7.917 7.801 0.116 19849 2086 1 5 . 1 1 19 19 HIS N N 19 117.574 117.574 118.665 -1.091 19849 2087 1 5 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.699 -0.257 19849 2088 1 5 . 1 1 19 19 HIS C C 19 171.727 171.727 173.100 -1.373 19849 2089 1 5 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.200 1.174 19849 2090 1 5 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.180 1.379 19849 2091 1 5 . 1 1 19 19 HIS H H 19 6.968 6.968 7.843 -0.875 19849 2092 1 5 . 1 1 20 20 LEU N N 20 128.803 128.803 128.233 0.570 19849 2093 1 5 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.227 -0.421 19849 2094 1 5 . 1 1 20 20 LEU C C 20 173.636 173.636 175.341 -1.705 19849 2095 1 5 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.079 -0.655 19849 2096 1 5 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.072 1.492 19849 2097 1 5 . 1 1 20 20 LEU H H 20 7.928 7.928 8.367 -0.439 19849 2098 1 5 . 1 1 21 21 GLU N N 21 125.639 125.639 126.429 -0.790 19849 2099 1 5 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.594 -0.084 19849 2100 1 5 . 1 1 21 21 GLU C C 21 174.143 174.143 174.956 -0.813 19849 2101 1 5 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.022 0.687 19849 2102 1 5 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.577 2.016 19849 2103 1 5 . 1 1 21 21 GLU H H 21 8.703 8.703 8.336 0.367 19849 2104 1 5 . 1 1 22 22 VAL N N 22 126.675 126.675 119.042 7.633 19849 2105 1 5 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.049 -0.432 19849 2106 1 5 . 1 1 22 22 VAL C C 22 173.843 173.843 174.460 -0.617 19849 2107 1 5 . 1 1 22 22 VAL CA C 22 61.359 61.359 59.941 1.419 19849 2108 1 5 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.815 -0.144 19849 2109 1 5 . 1 1 22 22 VAL H H 22 8.936 8.936 8.449 0.487 19849 2110 1 5 . 1 1 23 23 ILE N N 23 126.078 126.078 125.247 0.831 19849 2111 1 5 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.491 -0.018 19849 2112 1 5 . 1 1 23 23 ILE C C 23 175.007 175.007 174.750 0.257 19849 2113 1 5 . 1 1 23 23 ILE CA C 23 59.446 59.446 58.977 0.469 19849 2114 1 5 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.827 3.410 19849 2115 1 5 . 1 1 23 23 ILE H H 23 9.099 9.099 8.159 0.940 19849 2116 1 5 . 1 1 24 24 ASP N N 24 127.026 127.026 128.729 -1.703 19849 2117 1 5 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.778 -0.168 19849 2118 1 5 . 1 1 24 24 ASP C C 24 176.888 176.888 176.220 0.668 19849 2119 1 5 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.361 -1.497 19849 2120 1 5 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.938 0.094 19849 2121 1 5 . 1 1 24 24 ASP H H 24 9.152 9.152 8.963 0.189 19849 2122 1 5 . 1 1 25 25 ILE N N 25 123.148 123.148 127.013 -3.865 19849 2123 1 5 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.278 0.314 19849 2124 1 5 . 1 1 25 25 ILE C C 25 175.765 175.765 176.038 -0.273 19849 2125 1 5 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.369 -0.257 19849 2126 1 5 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.067 -1.154 19849 2127 1 5 . 1 1 25 25 ILE H H 25 7.915 7.915 8.124 -0.209 19849 2128 1 5 . 1 1 26 26 SER N N 26 119.373 119.373 115.242 4.131 19849 2129 1 5 . 1 1 26 26 SER HA H 26 4.520 4.520 4.604 -0.084 19849 2130 1 5 . 1 1 26 26 SER C C 26 175.488 175.488 174.591 0.897 19849 2131 1 5 . 1 1 26 26 SER CA C 26 58.030 58.030 58.229 -0.199 19849 2132 1 5 . 1 1 26 26 SER CB C 26 64.605 64.605 65.461 -0.856 19849 2133 1 5 . 1 1 26 26 SER H H 26 9.175 9.175 8.037 1.138 19849 2134 1 5 . 1 1 27 27 GLY N N 27 111.902 111.902 109.850 2.052 19849 2135 1 5 . 1 1 27 27 GLY C C 27 175.418 175.418 173.512 1.906 19849 2136 1 5 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.340 1.095 19849 2137 1 5 . 1 1 27 27 GLY H H 27 8.417 8.417 7.857 0.560 19849 2138 1 5 . 1 1 28 28 GLY N N 28 106.936 106.936 107.351 -0.415 19849 2139 1 5 . 1 1 28 28 GLY C C 28 177.627 177.627 174.785 2.842 19849 2140 1 5 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.861 -0.233 19849 2141 1 5 . 1 1 28 28 GLY H H 28 7.864 7.864 8.312 -0.448 19849 2142 1 5 . 1 1 29 29 CYS N N 29 116.829 116.829 119.061 -2.232 19849 2143 1 5 . 1 1 29 29 CYS HA H 29 4.363 4.363 5.011 -0.648 19849 2144 1 5 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.207 0.233 19849 2145 1 5 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.167 -0.309 19849 2146 1 5 . 1 1 29 29 CYS H H 29 7.380 7.380 7.945 -0.565 19849 2147 1 5 . 1 1 30 30 GLY N N 30 111.626 111.626 108.031 3.595 19849 2148 1 5 . 1 1 30 30 GLY C C 30 173.383 173.383 173.978 -0.595 19849 2149 1 5 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.862 1.224 19849 2150 1 5 . 1 1 30 30 GLY H H 30 8.965 8.965 8.032 0.933 19849 2151 1 5 . 1 1 31 31 SER N N 31 111.735 111.735 116.498 -4.763 19849 2152 1 5 . 1 1 31 31 SER HA H 31 4.639 4.639 3.887 0.752 19849 2153 1 5 . 1 1 31 31 SER C C 31 174.246 174.246 173.827 0.419 19849 2154 1 5 . 1 1 31 31 SER CA C 31 58.203 58.203 59.611 -1.408 19849 2155 1 5 . 1 1 31 31 SER CB C 31 64.459 64.459 62.972 1.487 19849 2156 1 5 . 1 1 31 31 SER H H 31 8.220 8.220 7.922 0.298 19849 2157 1 5 . 1 1 32 32 SER N N 32 116.259 116.259 122.011 -5.752 19849 2158 1 5 . 1 1 32 32 SER HA H 32 5.346 5.346 4.560 0.786 19849 2159 1 5 . 1 1 32 32 SER C C 32 176.363 176.363 172.397 3.966 19849 2160 1 5 . 1 1 32 32 SER CA C 32 57.400 57.400 57.537 -0.137 19849 2161 1 5 . 1 1 32 32 SER CB C 32 62.866 62.866 64.806 -1.940 19849 2162 1 5 . 1 1 32 32 SER H H 32 7.253 7.253 8.233 -0.980 19849 2163 1 5 . 1 1 33 33 PHE N N 33 118.533 118.533 123.141 -4.608 19849 2164 1 5 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.190 0.466 19849 2165 1 5 . 1 1 33 33 PHE C C 33 174.163 174.163 175.093 -0.930 19849 2166 1 5 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.120 0.262 19849 2167 1 5 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.398 2.052 19849 2168 1 5 . 1 1 33 33 PHE H H 33 7.995 7.995 8.871 -0.876 19849 2169 1 5 . 1 1 34 34 GLU N N 34 122.301 122.301 123.073 -0.772 19849 2170 1 5 . 1 1 34 34 GLU HA H 34 5.560 5.560 5.006 0.554 19849 2171 1 5 . 1 1 34 34 GLU C C 34 175.902 175.902 175.523 0.379 19849 2172 1 5 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.560 -1.184 19849 2173 1 5 . 1 1 34 34 GLU CB C 34 33.543 33.543 31.533 2.010 19849 2174 1 5 . 1 1 34 34 GLU H H 34 9.436 9.436 8.623 0.813 19849 2175 1 5 . 1 1 35 35 VAL N N 35 118.350 118.350 126.714 -8.364 19849 2176 1 5 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.942 0.427 19849 2177 1 5 . 1 1 35 35 VAL C C 35 174.616 174.616 174.215 0.401 19849 2178 1 5 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.435 -0.071 19849 2179 1 5 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.645 0.533 19849 2180 1 5 . 1 1 35 35 VAL H H 35 8.784 8.784 8.837 -0.053 19849 2181 1 5 . 1 1 36 36 GLU N N 36 123.537 123.537 128.501 -4.964 19849 2182 1 5 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.687 0.282 19849 2183 1 5 . 1 1 36 36 GLU C C 36 174.745 174.745 175.164 -0.419 19849 2184 1 5 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.191 -0.000 19849 2185 1 5 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.247 1.839 19849 2186 1 5 . 1 1 36 36 GLU H H 36 8.859 8.859 8.527 0.332 19849 2187 1 5 . 1 1 37 37 VAL N N 37 120.272 120.272 125.901 -5.629 19849 2188 1 5 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.062 -0.450 19849 2189 1 5 . 1 1 37 37 VAL C C 37 172.679 172.679 174.890 -2.211 19849 2190 1 5 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.263 0.027 19849 2191 1 5 . 1 1 37 37 VAL CB C 37 35.021 35.021 33.901 1.120 19849 2192 1 5 . 1 1 37 37 VAL H H 37 8.497 8.497 9.208 -0.711 19849 2193 1 5 . 1 1 38 38 VAL N N 38 127.971 127.971 128.275 -0.304 19849 2194 1 5 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.198 0.059 19849 2195 1 5 . 1 1 38 38 VAL C C 38 175.842 175.842 174.681 1.161 19849 2196 1 5 . 1 1 38 38 VAL CA C 38 59.474 59.474 61.045 -1.571 19849 2197 1 5 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.322 0.793 19849 2198 1 5 . 1 1 38 38 VAL H H 38 8.169 8.169 8.640 -0.471 19849 2199 1 5 . 1 1 39 39 SER N N 39 117.426 117.426 119.649 -2.223 19849 2200 1 5 . 1 1 39 39 SER HA H 39 4.821 4.821 4.724 0.097 19849 2201 1 5 . 1 1 39 39 SER C C 39 175.323 175.323 174.413 0.910 19849 2202 1 5 . 1 1 39 39 SER CA C 39 55.888 55.888 55.527 0.361 19849 2203 1 5 . 1 1 39 39 SER CB C 39 64.183 64.183 65.441 -1.258 19849 2204 1 5 . 1 1 39 39 SER H H 39 8.304 8.304 7.780 0.524 19849 2205 1 5 . 1 1 40 40 GLU N N 40 131.571 131.571 123.470 8.101 19849 2206 1 5 . 1 1 40 40 GLU HA H 40 4.119 4.119 3.925 0.194 19849 2207 1 5 . 1 1 40 40 GLU C C 40 177.887 177.887 177.261 0.626 19849 2208 1 5 . 1 1 40 40 GLU CA C 40 58.681 58.681 59.126 -0.445 19849 2209 1 5 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.067 0.563 19849 2210 1 5 . 1 1 40 40 GLU H H 40 9.911 9.911 9.001 0.910 19849 2211 1 5 . 1 1 41 41 GLN N N 41 117.534 117.534 117.371 0.163 19849 2212 1 5 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.182 -0.198 19849 2213 1 5 . 1 1 41 41 GLN C C 41 176.391 176.391 175.601 0.790 19849 2214 1 5 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.039 0.404 19849 2215 1 5 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.881 0.022 19849 2216 1 5 . 1 1 41 41 GLN H H 41 8.219 8.219 7.860 0.359 19849 2217 1 5 . 1 1 42 42 PHE N N 42 113.224 113.224 116.158 -2.934 19849 2218 1 5 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.718 -0.192 19849 2219 1 5 . 1 1 42 42 PHE C C 42 175.064 175.064 174.852 0.212 19849 2220 1 5 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.392 -0.253 19849 2221 1 5 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.995 -1.359 19849 2222 1 5 . 1 1 42 42 PHE H H 42 6.894 6.894 7.892 -0.998 19849 2223 1 5 . 1 1 43 43 GLU N N 43 121.136 121.136 122.267 -1.131 19849 2224 1 5 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.322 -0.355 19849 2225 1 5 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.225 2.135 19849 2226 1 5 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.790 0.444 19849 2227 1 5 . 1 1 43 43 GLU H H 43 7.469 7.469 7.468 0.001 19849 2228 1 5 . 1 1 44 44 GLY N N 44 114.819 114.819 115.704 -0.885 19849 2229 1 5 . 1 1 44 44 GLY C C 44 174.101 174.101 174.551 -0.450 19849 2230 1 5 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.036 -0.411 19849 2231 1 5 . 1 1 44 44 GLY H H 44 9.014 9.014 8.637 0.377 19849 2232 1 5 . 1 1 45 45 LYS N N 45 118.678 118.678 119.254 -0.576 19849 2233 1 5 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.527 0.162 19849 2234 1 5 . 1 1 45 45 LYS C C 45 177.858 177.858 176.129 1.729 19849 2235 1 5 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.796 -1.235 19849 2236 1 5 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.187 -0.746 19849 2237 1 5 . 1 1 45 45 LYS H H 45 7.932 7.932 7.352 0.580 19849 2238 1 5 . 1 1 46 46 ARG N N 46 125.430 125.430 121.257 4.173 19849 2239 1 5 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.518 -0.225 19849 2240 1 5 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.551 1.228 19849 2241 1 5 . 1 1 46 46 ARG H H 46 9.288 9.288 8.606 0.682 19849 2242 1 5 . 1 1 47 47 LEU N N 47 124.205 124.205 125.188 -0.983 19849 2243 1 5 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.529 0.173 19849 2244 1 5 . 1 1 47 47 LEU C C 47 178.476 178.476 178.907 -0.431 19849 2245 1 5 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.500 2.189 19849 2246 1 5 . 1 1 47 47 LEU H H 47 8.320 8.320 8.958 -0.638 19849 2247 1 5 . 1 1 48 48 LEU N N 48 115.874 115.874 118.843 -2.969 19849 2248 1 5 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.082 -0.310 19849 2249 1 5 . 1 1 48 48 LEU C C 48 179.985 179.985 178.685 1.300 19849 2250 1 5 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.986 0.637 19849 2251 1 5 . 1 1 48 48 LEU H H 48 8.587 8.587 8.048 0.539 19849 2252 1 5 . 1 1 49 49 GLU N N 49 118.216 118.216 118.345 -0.129 19849 2253 1 5 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.970 0.138 19849 2254 1 5 . 1 1 49 49 GLU C C 49 177.944 177.944 179.493 -1.549 19849 2255 1 5 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.282 -0.864 19849 2256 1 5 . 1 1 49 49 GLU H H 49 6.964 6.964 7.932 -0.968 19849 2257 1 5 . 1 1 50 50 ARG N N 50 119.674 119.674 119.599 0.075 19849 2258 1 5 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.249 -0.332 19849 2259 1 5 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.558 -0.484 19849 2260 1 5 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.025 -1.014 19849 2261 1 5 . 1 1 50 50 ARG H H 50 7.991 7.991 8.343 -0.352 19849 2262 1 5 . 1 1 51 51 HIS N N 51 117.056 117.056 117.890 -0.834 19849 2263 1 5 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.388 -0.392 19849 2264 1 5 . 1 1 51 51 HIS C C 51 176.638 176.638 177.807 -1.169 19849 2265 1 5 . 1 1 51 51 HIS H H 51 8.294 8.294 8.042 0.252 19849 2266 1 5 . 1 1 52 52 ARG N N 52 120.626 120.626 119.506 1.120 19849 2267 1 5 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.128 0.090 19849 2268 1 5 . 1 1 52 52 ARG C C 52 179.014 179.014 177.394 1.620 19849 2269 1 5 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.849 1.143 19849 2270 1 5 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.323 -0.763 19849 2271 1 5 . 1 1 52 52 ARG H H 52 8.001 8.001 8.402 -0.401 19849 2272 1 5 . 1 1 53 53 MET N N 53 119.087 119.087 117.830 1.257 19849 2273 1 5 . 1 1 53 53 MET HA H 53 4.006 4.006 4.478 -0.472 19849 2274 1 5 . 1 1 53 53 MET C C 53 179.286 179.286 177.757 1.529 19849 2275 1 5 . 1 1 53 53 MET CA C 53 59.404 59.404 56.918 2.486 19849 2276 1 5 . 1 1 53 53 MET CB C 53 34.976 34.976 33.019 1.957 19849 2277 1 5 . 1 1 53 53 MET H H 53 8.162 8.162 7.534 0.628 19849 2278 1 5 . 1 1 54 54 VAL N N 54 120.886 120.886 120.413 0.473 19849 2279 1 5 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.684 -0.259 19849 2280 1 5 . 1 1 54 54 VAL C C 54 176.296 176.296 177.701 -1.405 19849 2281 1 5 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.461 0.372 19849 2282 1 5 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.294 -0.850 19849 2283 1 5 . 1 1 54 54 VAL H H 54 7.790 7.790 8.253 -0.463 19849 2284 1 5 . 1 1 55 55 ASN N N 55 116.881 116.881 118.415 -1.534 19849 2285 1 5 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.596 -0.583 19849 2286 1 5 . 1 1 55 55 ASN C C 55 178.422 178.422 177.016 1.406 19849 2287 1 5 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.334 1.795 19849 2288 1 5 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.436 0.431 19849 2289 1 5 . 1 1 55 55 ASN H H 55 8.032 8.032 8.497 -0.465 19849 2290 1 5 . 1 1 56 56 ALA N N 56 121.164 121.164 122.561 -1.397 19849 2291 1 5 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.141 -0.058 19849 2292 1 5 . 1 1 56 56 ALA C C 56 180.700 180.700 178.449 2.251 19849 2293 1 5 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.632 -0.032 19849 2294 1 5 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.091 0.171 19849 2295 1 5 . 1 1 56 56 ALA H H 56 8.578 8.578 7.731 0.847 19849 2296 1 5 . 1 1 57 57 ALA N N 57 121.156 121.156 117.785 3.371 19849 2297 1 5 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.336 -0.304 19849 2298 1 5 . 1 1 57 57 ALA C C 57 177.240 177.240 177.603 -0.363 19849 2299 1 5 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.342 0.745 19849 2300 1 5 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.487 -1.025 19849 2301 1 5 . 1 1 57 57 ALA H H 57 7.609 7.609 7.521 0.088 19849 2302 1 5 . 1 1 58 58 LEU N N 58 116.065 116.065 117.303 -1.238 19849 2303 1 5 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.479 0.416 19849 2304 1 5 . 1 1 58 58 LEU C C 58 176.446 176.446 177.467 -1.021 19849 2305 1 5 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.002 -2.481 19849 2306 1 5 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.203 0.550 19849 2307 1 5 . 1 1 58 58 LEU H H 58 6.995 6.995 7.748 -0.753 19849 2308 1 5 . 1 1 59 59 GLU N N 59 120.288 120.288 121.850 -1.562 19849 2309 1 5 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.967 -0.193 19849 2310 1 5 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.045 0.690 19849 2311 1 5 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.451 0.556 19849 2312 1 5 . 1 1 59 59 GLU H H 59 7.034 7.034 8.264 -1.230 19849 2313 1 5 . 1 1 60 60 GLU N N 60 116.322 116.322 118.048 -1.726 19849 2314 1 5 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.038 -0.008 19849 2315 1 5 . 1 1 60 60 GLU C C 60 179.270 179.270 178.634 0.636 19849 2316 1 5 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.099 -0.406 19849 2317 1 5 . 1 1 60 60 GLU CB C 60 29.316 29.316 29.125 0.192 19849 2318 1 5 . 1 1 60 60 GLU H H 60 8.622 8.622 8.605 0.017 19849 2319 1 5 . 1 1 61 61 GLU N N 61 121.506 121.506 118.848 2.658 19849 2320 1 5 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.103 -0.213 19849 2321 1 5 . 1 1 61 61 GLU C C 61 179.010 179.010 178.375 0.635 19849 2322 1 5 . 1 1 61 61 GLU CA C 61 60.962 60.962 58.825 2.137 19849 2323 1 5 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.177 -0.702 19849 2324 1 5 . 1 1 61 61 GLU H H 61 8.946 8.946 8.045 0.901 19849 2325 1 5 . 1 1 62 62 MET N N 62 116.213 116.213 119.256 -3.043 19849 2326 1 5 . 1 1 62 62 MET HA H 62 4.312 4.312 4.082 0.230 19849 2327 1 5 . 1 1 62 62 MET CA C 62 56.302 56.302 59.093 -2.791 19849 2328 1 5 . 1 1 62 62 MET CB C 62 30.553 30.553 32.598 -2.045 19849 2329 1 5 . 1 1 62 62 MET H H 62 8.693 8.693 8.210 0.483 19849 2330 1 5 . 1 1 63 63 LYS N N 63 116.969 116.969 116.075 0.894 19849 2331 1 5 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.122 -0.037 19849 2332 1 5 . 1 1 63 63 LYS C C 63 177.541 177.541 177.923 -0.382 19849 2333 1 5 . 1 1 63 63 LYS CA C 63 58.728 58.728 58.129 0.599 19849 2334 1 5 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.278 0.247 19849 2335 1 5 . 1 1 63 63 LYS H H 63 7.470 7.470 7.578 -0.108 19849 2336 1 5 . 1 1 64 64 GLU N N 64 115.556 115.556 118.732 -3.176 19849 2337 1 5 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.315 0.150 19849 2338 1 5 . 1 1 64 64 GLU C C 64 175.679 175.679 176.312 -0.633 19849 2339 1 5 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.483 -0.880 19849 2340 1 5 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.029 1.242 19849 2341 1 5 . 1 1 64 64 GLU H H 64 7.773 7.773 7.740 0.033 19849 2342 1 5 . 1 1 65 65 ILE N N 65 120.461 120.461 114.135 6.326 19849 2343 1 5 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.208 -0.129 19849 2344 1 5 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.610 2.098 19849 2345 1 5 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.322 -0.240 19849 2346 1 5 . 1 1 65 65 ILE H H 65 7.502 7.502 7.700 -0.198 19849 2347 1 5 . 1 1 66 66 HIS N N 66 125.683 125.683 117.008 8.675 19849 2348 1 5 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.800 -0.255 19849 2349 1 5 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.933 1.750 19849 2350 1 5 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.835 -1.558 19849 2351 1 5 . 1 1 66 66 HIS H H 66 9.196 9.196 7.956 1.240 19849 2352 1 5 . 1 1 67 67 ALA N N 67 120.229 120.229 122.354 -2.125 19849 2353 1 5 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.539 -0.115 19849 2354 1 5 . 1 1 67 67 ALA C C 67 173.834 173.834 175.083 -1.249 19849 2355 1 5 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.117 0.031 19849 2356 1 5 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.714 0.727 19849 2357 1 5 . 1 1 67 67 ALA H H 67 7.493 7.493 7.973 -0.480 19849 2358 1 5 . 1 1 68 68 LEU N N 68 124.546 124.546 122.935 1.611 19849 2359 1 5 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.118 -0.124 19849 2360 1 5 . 1 1 68 68 LEU C C 68 175.157 175.157 175.809 -0.652 19849 2361 1 5 . 1 1 68 68 LEU CA C 68 53.191 53.191 53.971 -0.780 19849 2362 1 5 . 1 1 68 68 LEU CB C 68 44.768 44.768 42.699 2.070 19849 2363 1 5 . 1 1 68 68 LEU H H 68 8.557 8.557 8.520 0.037 19849 2364 1 5 . 1 1 69 69 SER N N 69 122.077 122.077 121.288 0.789 19849 2365 1 5 . 1 1 69 69 SER HA H 69 4.677 4.677 4.617 0.060 19849 2366 1 5 . 1 1 69 69 SER C C 69 173.548 173.548 173.616 -0.068 19849 2367 1 5 . 1 1 69 69 SER CA C 69 55.803 55.803 57.549 -1.746 19849 2368 1 5 . 1 1 69 69 SER CB C 69 63.549 63.549 63.160 0.389 19849 2369 1 5 . 1 1 69 69 SER H H 69 8.854 8.854 9.211 -0.357 19849 2370 1 5 . 1 1 70 70 ILE N N 70 129.143 129.143 128.450 0.693 19849 2371 1 5 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.497 -0.391 19849 2372 1 5 . 1 1 70 70 ILE C C 70 175.059 175.059 175.474 -0.415 19849 2373 1 5 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.741 -0.108 19849 2374 1 5 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.784 -1.357 19849 2375 1 5 . 1 1 70 70 ILE H H 70 8.922 8.922 8.125 0.797 19849 2376 1 5 . 1 1 71 71 LYS N N 71 130.019 130.019 127.232 2.787 19849 2377 1 5 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.200 -0.128 19849 2378 1 5 . 1 1 71 71 LYS C C 71 177.201 177.201 177.234 -0.033 19849 2379 1 5 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.187 0.751 19849 2380 1 5 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.500 0.926 19849 2381 1 5 . 1 1 71 71 LYS H H 71 8.676 8.676 8.462 0.214 19849 2382 1 5 . 1 1 72 72 LYS N N 72 113.659 113.659 119.647 -5.988 19849 2383 1 5 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.546 -0.071 19849 2384 1 5 . 1 1 72 72 LYS C C 72 174.013 174.013 174.085 -0.072 19849 2385 1 5 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.484 0.480 19849 2386 1 5 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.911 2.783 19849 2387 1 5 . 1 1 72 72 LYS H H 72 7.195 7.195 7.499 -0.304 19849 2388 1 5 . 1 1 73 73 ALA N N 73 129.019 129.019 128.766 0.253 19849 2389 1 5 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.951 0.251 19849 2390 1 5 . 1 1 73 73 ALA C C 73 175.410 175.410 175.491 -0.081 19849 2391 1 5 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.437 0.511 19849 2392 1 5 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.593 -1.905 19849 2393 1 5 . 1 1 73 73 ALA H H 73 8.847 8.847 8.807 0.040 19849 2394 1 5 . 1 1 74 74 GLN N N 74 120.993 120.993 122.570 -1.577 19849 2395 1 5 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.759 0.087 19849 2396 1 5 . 1 1 74 74 GLN C C 74 175.603 175.603 174.416 1.187 19849 2397 1 5 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.349 0.423 19849 2398 1 5 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.329 0.626 19849 2399 1 5 . 1 1 74 74 GLN H H 74 8.398 8.398 8.373 0.025 19849 2400 1 5 . 1 1 75 75 THR N N 75 111.917 111.917 111.882 0.035 19849 2401 1 5 . 1 1 75 75 THR HA H 75 4.866 4.866 4.901 -0.035 19849 2402 1 5 . 1 1 75 75 THR CA C 75 59.600 59.600 57.782 1.817 19849 2403 1 5 . 1 1 75 75 THR H H 75 8.920 8.920 8.698 0.222 19849 2404 1 5 . 1 1 76 76 PRO C C 76 177.659 177.659 177.739 -0.080 19849 2405 1 5 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.229 1.214 19849 2406 1 5 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.698 0.178 19849 2407 1 5 . 1 1 77 77 GLN N N 77 114.329 114.329 117.517 -3.188 19849 2408 1 5 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.178 -0.112 19849 2409 1 5 . 1 1 77 77 GLN C C 77 177.630 177.630 177.157 0.473 19849 2410 1 5 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.717 -0.064 19849 2411 1 5 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.826 0.412 19849 2412 1 5 . 1 1 77 77 GLN H H 77 8.481 8.481 8.507 -0.026 19849 2413 1 5 . 1 1 78 78 GLN N N 78 116.831 116.831 117.625 -0.794 19849 2414 1 5 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.337 -0.244 19849 2415 1 5 . 1 1 78 78 GLN C C 78 176.403 176.403 177.495 -1.092 19849 2416 1 5 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.209 0.084 19849 2417 1 5 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.130 1.844 19849 2418 1 5 . 1 1 78 78 GLN H H 78 7.503 7.503 7.842 -0.339 19849 2419 1 5 . 1 1 79 79 TRP N N 79 120.561 120.561 120.456 0.105 19849 2420 1 5 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.391 -0.004 19849 2421 1 5 . 1 1 79 79 TRP C C 79 175.429 175.429 175.692 -0.263 19849 2422 1 5 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.019 -0.458 19849 2423 1 5 . 1 1 79 79 TRP CB C 79 30.914 30.914 30.225 0.689 19849 2424 1 5 . 1 1 79 79 TRP H H 79 7.668 7.668 8.273 -0.605 19849 2425 1 5 . 1 1 80 80 LYS N N 80 120.883 120.883 118.374 2.509 19849 2426 1 5 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.207 -0.007 19849 2427 1 5 . 1 1 80 80 LYS CA C 80 53.038 53.038 56.731 -3.693 19849 2428 1 5 . 1 1 80 80 LYS H H 80 7.768 7.768 7.539 0.229 19849 2429 1 5 . 1 1 82 82 PRO C C 82 176.919 176.919 176.057 0.862 19849 2430 1 5 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.512 0.428 19849 2431 1 5 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.006 0.020 19849 2432 1 5 . 1 1 83 83 SER N N 83 115.592 115.592 119.335 -3.743 19849 2433 1 5 . 1 1 83 83 SER HA H 83 4.315 4.315 4.423 -0.108 19849 2434 1 5 . 1 1 83 83 SER C C 83 174.665 174.665 175.396 -0.731 19849 2435 1 5 . 1 1 83 83 SER CA C 83 58.162 58.162 58.961 -0.799 19849 2436 1 5 . 1 1 83 83 SER CB C 83 63.831 63.831 63.488 0.343 19849 2437 1 5 . 1 1 83 83 SER H H 83 8.264 8.264 8.495 -0.231 19849 2438 1 5 . 1 1 84 84 GLN N N 84 122.131 122.131 122.139 -0.008 19849 2439 1 5 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.400 -0.111 19849 2440 1 5 . 1 1 84 84 GLN C C 84 175.598 175.598 177.401 -1.803 19849 2441 1 5 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.952 -2.101 19849 2442 1 5 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.804 -0.185 19849 2443 1 5 . 1 1 84 84 GLN H H 84 8.430 8.430 8.050 0.380 19849 2444 1 5 . 1 1 85 85 ASP N N 85 121.550 121.550 118.593 2.957 19849 2445 1 5 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.653 -0.119 19849 2446 1 5 . 1 1 85 85 ASP C C 85 176.431 176.431 176.959 -0.528 19849 2447 1 5 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.714 -1.290 19849 2448 1 5 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.859 0.411 19849 2449 1 5 . 1 1 85 85 ASP H H 85 8.307 8.307 7.776 0.531 19849 2450 1 5 . 1 1 86 86 SER N N 86 116.617 116.617 115.287 1.330 19849 2451 1 5 . 1 1 86 86 SER HA H 86 4.316 4.316 4.480 -0.164 19849 2452 1 5 . 1 1 86 86 SER C C 86 174.590 174.590 175.659 -1.069 19849 2453 1 5 . 1 1 86 86 SER CA C 86 58.797 58.797 59.874 -1.077 19849 2454 1 5 . 1 1 86 86 SER CB C 86 63.667 63.667 63.870 -0.203 19849 2455 1 5 . 1 1 86 86 SER H H 86 8.231 8.231 8.013 0.218 19849 2456 1 5 . 1 1 87 87 ALA N N 87 125.663 125.663 123.875 1.788 19849 2457 1 5 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.638 -0.348 19849 2458 1 5 . 1 1 87 87 ALA C C 87 178.018 178.018 178.239 -0.221 19849 2459 1 5 . 1 1 87 87 ALA CA C 87 52.952 52.952 53.117 -0.165 19849 2460 1 5 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.363 0.754 19849 2461 1 5 . 1 1 87 87 ALA H H 87 8.312 8.312 7.445 0.867 19849 2462 1 5 . 1 1 88 88 THR N N 88 112.987 112.987 115.162 -2.175 19849 2463 1 5 . 1 1 88 88 THR HA H 88 4.221 4.221 4.057 0.164 19849 2464 1 5 . 1 1 88 88 THR C C 88 174.488 174.488 174.903 -0.415 19849 2465 1 5 . 1 1 88 88 THR CA C 88 62.115 62.115 65.644 -3.529 19849 2466 1 5 . 1 1 88 88 THR CB C 88 69.626 69.626 68.680 0.946 19849 2467 1 5 . 1 1 88 88 THR H H 88 7.997 7.997 8.124 -0.127 19849 2468 1 5 . 1 1 89 89 LEU N N 89 124.655 124.655 117.633 7.022 19849 2469 1 5 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.656 -0.300 19849 2470 1 5 . 1 1 89 89 LEU C C 89 177.367 177.367 177.719 -0.352 19849 2471 1 5 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.322 -0.059 19849 2472 1 5 . 1 1 89 89 LEU CB C 89 42.492 42.492 42.548 -0.056 19849 2473 1 5 . 1 1 89 89 LEU H H 89 8.119 8.119 7.501 0.618 19849 2474 1 5 . 1 1 90 90 THR N N 90 115.527 115.527 114.768 0.759 19849 2475 1 5 . 1 1 90 90 THR HA H 90 4.261 4.261 4.172 0.089 19849 2476 1 5 . 1 1 90 90 THR CA C 90 61.707 61.707 65.182 -3.475 19849 2477 1 5 . 1 1 90 90 THR CB C 90 69.825 69.825 69.072 0.753 19849 2478 1 5 . 1 1 90 90 THR H H 90 8.086 8.086 7.937 0.149 19849 2479 1 5 . 1 1 91 91 LYS N N 91 123.923 123.923 118.826 5.097 19849 2480 1 5 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.506 -0.213 19849 2481 1 5 . 1 1 91 91 LYS C C 91 175.949 175.949 176.567 -0.618 19849 2482 1 5 . 1 1 91 91 LYS CA C 91 56.164 56.164 55.656 0.508 19849 2483 1 5 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.693 -0.434 19849 2484 1 5 . 1 1 91 91 LYS H H 91 8.272 8.272 7.778 0.494 19849 2485 1 5 . 1 1 92 92 ASP N N 92 122.237 122.237 117.318 4.919 19849 2486 1 5 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.425 0.085 19849 2487 1 5 . 1 1 92 92 ASP C C 92 174.733 174.733 175.281 -0.548 19849 2488 1 5 . 1 1 92 92 ASP CA C 92 54.535 54.535 56.451 -1.916 19849 2489 1 5 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.400 0.711 19849 2490 1 5 . 1 1 92 92 ASP H H 92 8.340 8.340 8.465 -0.125 19849 2491 1 6 . 1 1 2 2 VAL N N 2 120.462 120.462 123.290 -2.828 19849 2492 1 6 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.598 -0.090 19849 2493 1 6 . 1 1 2 2 VAL C C 2 174.797 174.797 173.858 0.939 19849 2494 1 6 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.280 0.005 19849 2495 1 6 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.330 -0.508 19849 2496 1 6 . 1 1 2 2 VAL H H 2 8.729 8.729 8.263 0.466 19849 2497 1 6 . 1 1 3 3 THR N N 3 113.531 113.531 115.894 -2.363 19849 2498 1 6 . 1 1 3 3 THR HA H 3 4.794 4.794 4.845 -0.051 19849 2499 1 6 . 1 1 3 3 THR C C 3 175.419 175.419 174.735 0.684 19849 2500 1 6 . 1 1 3 3 THR CA C 3 59.466 59.466 59.995 -0.529 19849 2501 1 6 . 1 1 3 3 THR H H 3 7.740 7.740 8.091 -0.351 19849 2502 1 6 . 1 1 4 4 LYS N N 4 121.981 121.981 122.107 -0.126 19849 2503 1 6 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.590 -0.153 19849 2504 1 6 . 1 1 4 4 LYS C C 4 177.186 177.186 178.084 -0.898 19849 2505 1 6 . 1 1 4 4 LYS CA C 4 59.716 59.716 59.535 0.181 19849 2506 1 6 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.355 0.855 19849 2507 1 6 . 1 1 4 4 LYS H H 4 9.168 9.168 8.954 0.214 19849 2508 1 6 . 1 1 5 5 GLU N N 5 117.723 117.723 117.251 0.472 19849 2509 1 6 . 1 1 5 5 GLU HA H 5 4.052 4.052 3.999 0.053 19849 2510 1 6 . 1 1 5 5 GLU C C 5 179.351 179.351 178.580 0.771 19849 2511 1 6 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.560 0.948 19849 2512 1 6 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.420 -1.026 19849 2513 1 6 . 1 1 5 5 GLU H H 5 8.835 8.835 8.669 0.166 19849 2514 1 6 . 1 1 6 6 GLN N N 6 122.133 122.133 118.433 3.700 19849 2515 1 6 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.160 -0.151 19849 2516 1 6 . 1 1 6 6 GLN C C 6 178.109 178.109 178.054 0.055 19849 2517 1 6 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.309 0.569 19849 2518 1 6 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.088 0.784 19849 2519 1 6 . 1 1 6 6 GLN H H 6 7.867 7.867 7.814 0.053 19849 2520 1 6 . 1 1 7 7 VAL N N 7 120.130 120.130 122.098 -1.968 19849 2521 1 6 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.495 -0.358 19849 2522 1 6 . 1 1 7 7 VAL C C 7 177.807 177.807 177.957 -0.150 19849 2523 1 6 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.991 -0.478 19849 2524 1 6 . 1 1 7 7 VAL CB C 7 31.241 31.241 31.005 0.236 19849 2525 1 6 . 1 1 7 7 VAL H H 7 7.447 7.447 7.367 0.080 19849 2526 1 6 . 1 1 8 8 GLU N N 8 117.342 117.342 120.344 -3.002 19849 2527 1 6 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.860 -0.290 19849 2528 1 6 . 1 1 8 8 GLU C C 8 174.166 174.166 178.369 -4.203 19849 2529 1 6 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.630 0.069 19849 2530 1 6 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.030 0.814 19849 2531 1 6 . 1 1 8 8 GLU H H 8 8.529 8.529 8.260 0.269 19849 2532 1 6 . 1 1 9 9 ALA N N 9 124.344 124.344 119.955 4.389 19849 2533 1 6 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.065 0.355 19849 2534 1 6 . 1 1 9 9 ALA C C 9 177.996 177.996 179.647 -1.651 19849 2535 1 6 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.960 0.563 19849 2536 1 6 . 1 1 9 9 ALA H H 9 8.301 8.301 7.553 0.748 19849 2537 1 6 . 1 1 10 10 SER N N 10 117.198 117.198 116.283 0.915 19849 2538 1 6 . 1 1 10 10 SER HA H 10 4.374 4.374 4.291 0.083 19849 2539 1 6 . 1 1 10 10 SER C C 10 175.219 175.219 176.533 -1.314 19849 2540 1 6 . 1 1 10 10 SER CA C 10 62.207 62.207 62.588 -0.381 19849 2541 1 6 . 1 1 10 10 SER H H 10 8.303 8.303 7.843 0.460 19849 2542 1 6 . 1 1 11 11 LEU N N 11 118.287 118.287 120.887 -2.600 19849 2543 1 6 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.176 -0.362 19849 2544 1 6 . 1 1 11 11 LEU C C 11 179.247 179.247 178.878 0.369 19849 2545 1 6 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.129 1.080 19849 2546 1 6 . 1 1 11 11 LEU CB C 11 42.528 42.528 40.636 1.892 19849 2547 1 6 . 1 1 11 11 LEU H H 11 7.973 7.973 8.658 -0.685 19849 2548 1 6 . 1 1 12 12 THR N N 12 116.416 116.416 114.224 2.192 19849 2549 1 6 . 1 1 12 12 THR HA H 12 3.530 3.530 4.059 -0.529 19849 2550 1 6 . 1 1 12 12 THR C C 12 176.464 176.464 175.985 0.479 19849 2551 1 6 . 1 1 12 12 THR CA C 12 67.016 67.016 66.136 0.880 19849 2552 1 6 . 1 1 12 12 THR CB C 12 68.586 68.586 68.029 0.557 19849 2553 1 6 . 1 1 12 12 THR H H 12 8.440 8.440 7.887 0.553 19849 2554 1 6 . 1 1 13 13 SER N N 13 115.144 115.144 116.686 -1.542 19849 2555 1 6 . 1 1 13 13 SER HA H 13 4.105 4.105 4.395 -0.290 19849 2556 1 6 . 1 1 13 13 SER C C 13 176.285 176.285 174.839 1.446 19849 2557 1 6 . 1 1 13 13 SER CA C 13 61.032 61.032 61.519 -0.487 19849 2558 1 6 . 1 1 13 13 SER CB C 13 63.045 63.045 63.532 -0.487 19849 2559 1 6 . 1 1 13 13 SER H H 13 8.022 8.022 7.536 0.486 19849 2560 1 6 . 1 1 14 14 LYS N N 14 116.028 116.028 120.382 -4.354 19849 2561 1 6 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.244 0.066 19849 2562 1 6 . 1 1 14 14 LYS C C 14 178.041 178.041 177.310 0.731 19849 2563 1 6 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.087 -0.245 19849 2564 1 6 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.063 0.794 19849 2565 1 6 . 1 1 14 14 LYS H H 14 7.466 7.466 7.441 0.025 19849 2566 1 6 . 1 1 15 15 LEU N N 15 114.405 114.405 116.349 -1.944 19849 2567 1 6 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.477 -0.058 19849 2568 1 6 . 1 1 15 15 LEU CA C 15 53.924 53.924 54.388 -0.464 19849 2569 1 6 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.060 -0.700 19849 2570 1 6 . 1 1 15 15 LEU H H 15 7.842 7.842 8.001 -0.159 19849 2571 1 6 . 1 1 16 16 LYS N N 16 116.513 116.513 116.557 -0.044 19849 2572 1 6 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.153 -0.033 19849 2573 1 6 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.589 -0.292 19849 2574 1 6 . 1 1 16 16 LYS H H 16 7.421 7.421 7.467 -0.046 19849 2575 1 6 . 1 1 17 17 PRO C C 17 177.159 177.159 175.672 1.487 19849 2576 1 6 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.041 -0.146 19849 2577 1 6 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.389 2.918 19849 2578 1 6 . 1 1 18 18 ILE N N 18 116.671 116.671 120.446 -3.775 19849 2579 1 6 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.132 0.162 19849 2580 1 6 . 1 1 18 18 ILE C C 18 175.085 175.085 176.582 -1.497 19849 2581 1 6 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.103 -1.076 19849 2582 1 6 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.270 0.746 19849 2583 1 6 . 1 1 18 18 ILE H H 18 7.917 7.917 7.900 0.017 19849 2584 1 6 . 1 1 19 19 HIS N N 19 117.574 117.574 118.800 -1.226 19849 2585 1 6 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.702 -0.260 19849 2586 1 6 . 1 1 19 19 HIS C C 19 171.727 171.727 172.813 -1.086 19849 2587 1 6 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.391 0.983 19849 2588 1 6 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.048 1.511 19849 2589 1 6 . 1 1 19 19 HIS H H 19 6.968 6.968 7.872 -0.904 19849 2590 1 6 . 1 1 20 20 LEU N N 20 128.803 128.803 127.680 1.123 19849 2591 1 6 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.149 -0.343 19849 2592 1 6 . 1 1 20 20 LEU C C 20 173.636 173.636 175.321 -1.685 19849 2593 1 6 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.156 -0.731 19849 2594 1 6 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.716 0.848 19849 2595 1 6 . 1 1 20 20 LEU H H 20 7.928 7.928 8.287 -0.359 19849 2596 1 6 . 1 1 21 21 GLU N N 21 125.639 125.639 126.784 -1.145 19849 2597 1 6 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.597 -0.087 19849 2598 1 6 . 1 1 21 21 GLU C C 21 174.143 174.143 174.927 -0.784 19849 2599 1 6 . 1 1 21 21 GLU CA C 21 55.709 55.709 54.682 1.026 19849 2600 1 6 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.526 2.067 19849 2601 1 6 . 1 1 21 21 GLU H H 21 8.703 8.703 8.291 0.412 19849 2602 1 6 . 1 1 22 22 VAL N N 22 126.675 126.675 120.753 5.922 19849 2603 1 6 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.722 -0.105 19849 2604 1 6 . 1 1 22 22 VAL C C 22 173.843 173.843 174.394 -0.551 19849 2605 1 6 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.674 0.685 19849 2606 1 6 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.094 0.577 19849 2607 1 6 . 1 1 22 22 VAL H H 22 8.936 8.936 8.132 0.804 19849 2608 1 6 . 1 1 23 23 ILE N N 23 126.078 126.078 125.980 0.098 19849 2609 1 6 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.525 -0.052 19849 2610 1 6 . 1 1 23 23 ILE C C 23 175.007 175.007 174.681 0.326 19849 2611 1 6 . 1 1 23 23 ILE CA C 23 59.446 59.446 60.087 -0.641 19849 2612 1 6 . 1 1 23 23 ILE CB C 23 41.237 41.237 40.429 0.808 19849 2613 1 6 . 1 1 23 23 ILE H H 23 9.099 9.099 8.154 0.945 19849 2614 1 6 . 1 1 24 24 ASP N N 24 127.026 127.026 128.748 -1.722 19849 2615 1 6 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.473 0.137 19849 2616 1 6 . 1 1 24 24 ASP C C 24 176.888 176.888 176.244 0.644 19849 2617 1 6 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.465 -1.601 19849 2618 1 6 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.661 0.371 19849 2619 1 6 . 1 1 24 24 ASP H H 24 9.152 9.152 9.063 0.089 19849 2620 1 6 . 1 1 25 25 ILE N N 25 123.148 123.148 127.106 -3.958 19849 2621 1 6 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.426 0.166 19849 2622 1 6 . 1 1 25 25 ILE C C 25 175.765 175.765 174.935 0.830 19849 2623 1 6 . 1 1 25 25 ILE CA C 25 61.112 61.112 59.641 1.471 19849 2624 1 6 . 1 1 25 25 ILE CB C 25 36.913 36.913 35.789 1.124 19849 2625 1 6 . 1 1 25 25 ILE H H 25 7.915 7.915 7.903 0.012 19849 2626 1 6 . 1 1 26 26 SER N N 26 119.373 119.373 115.640 3.733 19849 2627 1 6 . 1 1 26 26 SER HA H 26 4.520 4.520 4.539 -0.019 19849 2628 1 6 . 1 1 26 26 SER C C 26 175.488 175.488 174.373 1.115 19849 2629 1 6 . 1 1 26 26 SER CA C 26 58.030 58.030 58.451 -0.421 19849 2630 1 6 . 1 1 26 26 SER CB C 26 64.605 64.605 64.329 0.276 19849 2631 1 6 . 1 1 26 26 SER H H 26 9.175 9.175 7.641 1.534 19849 2632 1 6 . 1 1 27 27 GLY N N 27 111.902 111.902 110.432 1.470 19849 2633 1 6 . 1 1 27 27 GLY C C 27 175.418 175.418 173.959 1.459 19849 2634 1 6 . 1 1 27 27 GLY CA C 27 46.435 46.435 44.725 1.710 19849 2635 1 6 . 1 1 27 27 GLY H H 27 8.417 8.417 8.038 0.379 19849 2636 1 6 . 1 1 28 28 GLY N N 28 106.936 106.936 106.655 0.281 19849 2637 1 6 . 1 1 28 28 GLY C C 28 177.627 177.627 174.731 2.896 19849 2638 1 6 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.342 0.286 19849 2639 1 6 . 1 1 28 28 GLY H H 28 7.864 7.864 8.460 -0.596 19849 2640 1 6 . 1 1 29 29 CYS N N 29 116.829 116.829 119.392 -2.563 19849 2641 1 6 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.860 -0.497 19849 2642 1 6 . 1 1 29 29 CYS CA C 29 59.440 59.440 58.857 0.583 19849 2643 1 6 . 1 1 29 29 CYS CB C 29 27.858 27.858 29.266 -1.408 19849 2644 1 6 . 1 1 29 29 CYS H H 29 7.380 7.380 8.224 -0.844 19849 2645 1 6 . 1 1 30 30 GLY N N 30 111.626 111.626 106.176 5.450 19849 2646 1 6 . 1 1 30 30 GLY C C 30 173.383 173.383 174.092 -0.709 19849 2647 1 6 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.804 1.282 19849 2648 1 6 . 1 1 30 30 GLY H H 30 8.965 8.965 8.382 0.583 19849 2649 1 6 . 1 1 31 31 SER N N 31 111.735 111.735 114.541 -2.806 19849 2650 1 6 . 1 1 31 31 SER HA H 31 4.639 4.639 4.549 0.090 19849 2651 1 6 . 1 1 31 31 SER C C 31 174.246 174.246 174.023 0.223 19849 2652 1 6 . 1 1 31 31 SER CA C 31 58.203 58.203 56.233 1.970 19849 2653 1 6 . 1 1 31 31 SER CB C 31 64.459 64.459 64.526 -0.067 19849 2654 1 6 . 1 1 31 31 SER H H 31 8.220 8.220 7.203 1.017 19849 2655 1 6 . 1 1 32 32 SER N N 32 116.259 116.259 118.303 -2.044 19849 2656 1 6 . 1 1 32 32 SER HA H 32 5.346 5.346 4.392 0.954 19849 2657 1 6 . 1 1 32 32 SER C C 32 176.363 176.363 174.505 1.858 19849 2658 1 6 . 1 1 32 32 SER CA C 32 57.400 57.400 59.566 -2.166 19849 2659 1 6 . 1 1 32 32 SER CB C 32 62.866 62.866 63.025 -0.159 19849 2660 1 6 . 1 1 32 32 SER H H 32 7.253 7.253 8.512 -1.259 19849 2661 1 6 . 1 1 33 33 PHE N N 33 118.533 118.533 128.083 -9.550 19849 2662 1 6 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.824 0.832 19849 2663 1 6 . 1 1 33 33 PHE C C 33 174.163 174.163 175.177 -1.014 19849 2664 1 6 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.995 -0.613 19849 2665 1 6 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.508 2.942 19849 2666 1 6 . 1 1 33 33 PHE H H 33 7.995 7.995 9.164 -1.169 19849 2667 1 6 . 1 1 34 34 GLU N N 34 122.301 122.301 121.620 0.681 19849 2668 1 6 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.917 0.643 19849 2669 1 6 . 1 1 34 34 GLU C C 34 175.902 175.902 175.624 0.278 19849 2670 1 6 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.090 -0.714 19849 2671 1 6 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.970 3.573 19849 2672 1 6 . 1 1 34 34 GLU H H 34 9.436 9.436 9.044 0.392 19849 2673 1 6 . 1 1 35 35 VAL N N 35 118.350 118.350 126.024 -7.674 19849 2674 1 6 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.919 0.450 19849 2675 1 6 . 1 1 35 35 VAL C C 35 174.616 174.616 174.168 0.448 19849 2676 1 6 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.551 -0.187 19849 2677 1 6 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.504 1.674 19849 2678 1 6 . 1 1 35 35 VAL H H 35 8.784 8.784 9.003 -0.219 19849 2679 1 6 . 1 1 36 36 GLU N N 36 123.537 123.537 127.859 -4.322 19849 2680 1 6 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.701 0.268 19849 2681 1 6 . 1 1 36 36 GLU C C 36 174.745 174.745 175.213 -0.468 19849 2682 1 6 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.787 0.404 19849 2683 1 6 . 1 1 36 36 GLU CB C 36 33.086 33.086 30.758 2.328 19849 2684 1 6 . 1 1 36 36 GLU H H 36 8.859 8.859 8.415 0.444 19849 2685 1 6 . 1 1 37 37 VAL N N 37 120.272 120.272 125.713 -5.441 19849 2686 1 6 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.448 -0.836 19849 2687 1 6 . 1 1 37 37 VAL C C 37 172.679 172.679 174.839 -2.160 19849 2688 1 6 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.132 0.158 19849 2689 1 6 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.981 0.040 19849 2690 1 6 . 1 1 37 37 VAL H H 37 8.497 8.497 9.106 -0.609 19849 2691 1 6 . 1 1 38 38 VAL N N 38 127.971 127.971 124.522 3.449 19849 2692 1 6 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.421 -0.164 19849 2693 1 6 . 1 1 38 38 VAL C C 38 175.842 175.842 173.796 2.046 19849 2694 1 6 . 1 1 38 38 VAL CA C 38 59.474 59.474 59.682 -0.208 19849 2695 1 6 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.340 0.775 19849 2696 1 6 . 1 1 38 38 VAL H H 38 8.169 8.169 8.425 -0.256 19849 2697 1 6 . 1 1 39 39 SER N N 39 117.426 117.426 121.097 -3.671 19849 2698 1 6 . 1 1 39 39 SER HA H 39 4.821 4.821 4.671 0.150 19849 2699 1 6 . 1 1 39 39 SER C C 39 175.323 175.323 174.578 0.745 19849 2700 1 6 . 1 1 39 39 SER CA C 39 55.888 55.888 55.946 -0.058 19849 2701 1 6 . 1 1 39 39 SER CB C 39 64.183 64.183 65.584 -1.401 19849 2702 1 6 . 1 1 39 39 SER H H 39 8.304 8.304 8.135 0.169 19849 2703 1 6 . 1 1 40 40 GLU N N 40 131.571 131.571 122.663 8.908 19849 2704 1 6 . 1 1 40 40 GLU HA H 40 4.119 4.119 3.943 0.176 19849 2705 1 6 . 1 1 40 40 GLU C C 40 177.887 177.887 177.400 0.487 19849 2706 1 6 . 1 1 40 40 GLU CA C 40 58.681 58.681 59.236 -0.555 19849 2707 1 6 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.102 0.528 19849 2708 1 6 . 1 1 40 40 GLU H H 40 9.911 9.911 9.049 0.862 19849 2709 1 6 . 1 1 41 41 GLN N N 41 117.534 117.534 117.236 0.298 19849 2710 1 6 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.157 -0.173 19849 2711 1 6 . 1 1 41 41 GLN C C 41 176.391 176.391 176.285 0.106 19849 2712 1 6 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.283 0.160 19849 2713 1 6 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.623 0.280 19849 2714 1 6 . 1 1 41 41 GLN H H 41 8.219 8.219 7.851 0.368 19849 2715 1 6 . 1 1 42 42 PHE N N 42 113.224 113.224 117.484 -4.260 19849 2716 1 6 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.659 -0.133 19849 2717 1 6 . 1 1 42 42 PHE C C 42 175.064 175.064 174.968 0.096 19849 2718 1 6 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.901 -0.762 19849 2719 1 6 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.400 -0.764 19849 2720 1 6 . 1 1 42 42 PHE H H 42 6.894 6.894 8.109 -1.215 19849 2721 1 6 . 1 1 43 43 GLU N N 43 121.136 121.136 121.804 -0.668 19849 2722 1 6 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.262 -0.295 19849 2723 1 6 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.681 1.680 19849 2724 1 6 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.997 0.237 19849 2725 1 6 . 1 1 43 43 GLU H H 43 7.469 7.469 7.436 0.033 19849 2726 1 6 . 1 1 44 44 GLY N N 44 114.819 114.819 116.304 -1.485 19849 2727 1 6 . 1 1 44 44 GLY C C 44 174.101 174.101 174.898 -0.797 19849 2728 1 6 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.070 -0.445 19849 2729 1 6 . 1 1 44 44 GLY H H 44 9.014 9.014 8.831 0.183 19849 2730 1 6 . 1 1 45 45 LYS N N 45 118.678 118.678 120.465 -1.787 19849 2731 1 6 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.506 0.183 19849 2732 1 6 . 1 1 45 45 LYS C C 45 177.858 177.858 176.014 1.844 19849 2733 1 6 . 1 1 45 45 LYS CA C 45 53.561 53.561 55.193 -1.632 19849 2734 1 6 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.670 -0.229 19849 2735 1 6 . 1 1 45 45 LYS H H 45 7.932 7.932 7.492 0.440 19849 2736 1 6 . 1 1 46 46 ARG N N 46 125.430 125.430 121.129 4.301 19849 2737 1 6 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.413 -0.120 19849 2738 1 6 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.529 1.250 19849 2739 1 6 . 1 1 46 46 ARG H H 46 9.288 9.288 8.590 0.698 19849 2740 1 6 . 1 1 47 47 LEU N N 47 124.205 124.205 124.779 -0.574 19849 2741 1 6 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.707 -0.005 19849 2742 1 6 . 1 1 47 47 LEU C C 47 178.476 178.476 178.772 -0.296 19849 2743 1 6 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.896 1.793 19849 2744 1 6 . 1 1 47 47 LEU H H 47 8.320 8.320 8.910 -0.590 19849 2745 1 6 . 1 1 48 48 LEU N N 48 115.874 115.874 118.582 -2.708 19849 2746 1 6 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.222 -0.450 19849 2747 1 6 . 1 1 48 48 LEU C C 48 179.985 179.985 179.058 0.927 19849 2748 1 6 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.239 0.384 19849 2749 1 6 . 1 1 48 48 LEU H H 48 8.587 8.587 8.020 0.567 19849 2750 1 6 . 1 1 49 49 GLU N N 49 118.216 118.216 118.730 -0.514 19849 2751 1 6 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.057 0.051 19849 2752 1 6 . 1 1 49 49 GLU C C 49 177.944 177.944 179.537 -1.593 19849 2753 1 6 . 1 1 49 49 GLU CA C 49 58.418 58.418 58.954 -0.536 19849 2754 1 6 . 1 1 49 49 GLU H H 49 6.964 6.964 7.972 -1.008 19849 2755 1 6 . 1 1 50 50 ARG N N 50 119.674 119.674 119.928 -0.254 19849 2756 1 6 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.238 -0.321 19849 2757 1 6 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.651 -0.577 19849 2758 1 6 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.017 -1.006 19849 2759 1 6 . 1 1 50 50 ARG H H 50 7.991 7.991 8.232 -0.241 19849 2760 1 6 . 1 1 51 51 HIS N N 51 117.056 117.056 117.809 -0.753 19849 2761 1 6 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.376 -0.380 19849 2762 1 6 . 1 1 51 51 HIS C C 51 176.638 176.638 177.802 -1.164 19849 2763 1 6 . 1 1 51 51 HIS H H 51 8.294 8.294 8.041 0.253 19849 2764 1 6 . 1 1 52 52 ARG N N 52 120.626 120.626 118.116 2.510 19849 2765 1 6 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.119 0.099 19849 2766 1 6 . 1 1 52 52 ARG C C 52 179.014 179.014 177.034 1.980 19849 2767 1 6 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.859 1.133 19849 2768 1 6 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.174 -0.615 19849 2769 1 6 . 1 1 52 52 ARG H H 52 8.001 8.001 8.440 -0.439 19849 2770 1 6 . 1 1 53 53 MET N N 53 119.087 119.087 117.940 1.147 19849 2771 1 6 . 1 1 53 53 MET HA H 53 4.006 4.006 4.461 -0.455 19849 2772 1 6 . 1 1 53 53 MET C C 53 179.286 179.286 177.810 1.476 19849 2773 1 6 . 1 1 53 53 MET CA C 53 59.404 59.404 57.400 2.004 19849 2774 1 6 . 1 1 53 53 MET CB C 53 34.976 34.976 33.261 1.715 19849 2775 1 6 . 1 1 53 53 MET H H 53 8.162 8.162 7.517 0.645 19849 2776 1 6 . 1 1 54 54 VAL N N 54 120.886 120.886 119.985 0.901 19849 2777 1 6 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.723 -0.298 19849 2778 1 6 . 1 1 54 54 VAL C C 54 176.296 176.296 178.078 -1.782 19849 2779 1 6 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.126 0.707 19849 2780 1 6 . 1 1 54 54 VAL CB C 54 31.444 31.444 31.925 -0.481 19849 2781 1 6 . 1 1 54 54 VAL H H 54 7.790 7.790 8.068 -0.278 19849 2782 1 6 . 1 1 55 55 ASN N N 55 116.881 116.881 118.309 -1.428 19849 2783 1 6 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.605 -0.592 19849 2784 1 6 . 1 1 55 55 ASN C C 55 178.422 178.422 176.925 1.497 19849 2785 1 6 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.416 1.713 19849 2786 1 6 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.413 0.454 19849 2787 1 6 . 1 1 55 55 ASN H H 55 8.032 8.032 8.363 -0.331 19849 2788 1 6 . 1 1 56 56 ALA N N 56 121.164 121.164 122.352 -1.188 19849 2789 1 6 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.158 -0.075 19849 2790 1 6 . 1 1 56 56 ALA C C 56 180.700 180.700 178.270 2.430 19849 2791 1 6 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.500 0.100 19849 2792 1 6 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.112 0.150 19849 2793 1 6 . 1 1 56 56 ALA H H 56 8.578 8.578 7.717 0.861 19849 2794 1 6 . 1 1 57 57 ALA N N 57 121.156 121.156 118.284 2.872 19849 2795 1 6 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.377 -0.345 19849 2796 1 6 . 1 1 57 57 ALA C C 57 177.240 177.240 177.645 -0.405 19849 2797 1 6 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.487 0.600 19849 2798 1 6 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.435 -0.973 19849 2799 1 6 . 1 1 57 57 ALA H H 57 7.609 7.609 7.497 0.112 19849 2800 1 6 . 1 1 58 58 LEU N N 58 116.065 116.065 117.117 -1.052 19849 2801 1 6 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.532 0.363 19849 2802 1 6 . 1 1 58 58 LEU C C 58 176.446 176.446 177.472 -1.026 19849 2803 1 6 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.984 -2.463 19849 2804 1 6 . 1 1 58 58 LEU CB C 58 42.753 42.753 41.966 0.787 19849 2805 1 6 . 1 1 58 58 LEU H H 58 6.995 6.995 7.664 -0.669 19849 2806 1 6 . 1 1 59 59 GLU N N 59 120.288 120.288 121.853 -1.565 19849 2807 1 6 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.031 -0.257 19849 2808 1 6 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.626 1.110 19849 2809 1 6 . 1 1 59 59 GLU CB C 59 30.007 30.007 28.897 1.110 19849 2810 1 6 . 1 1 59 59 GLU H H 59 7.034 7.034 8.094 -1.060 19849 2811 1 6 . 1 1 60 60 GLU N N 60 116.322 116.322 118.284 -1.962 19849 2812 1 6 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.037 -0.007 19849 2813 1 6 . 1 1 60 60 GLU C C 60 179.270 179.270 178.812 0.458 19849 2814 1 6 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.291 -0.598 19849 2815 1 6 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.902 0.414 19849 2816 1 6 . 1 1 60 60 GLU H H 60 8.622 8.622 8.710 -0.088 19849 2817 1 6 . 1 1 61 61 GLU N N 61 121.506 121.506 119.651 1.855 19849 2818 1 6 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.165 -0.275 19849 2819 1 6 . 1 1 61 61 GLU C C 61 179.010 179.010 178.616 0.394 19849 2820 1 6 . 1 1 61 61 GLU CA C 61 60.962 60.962 58.804 2.158 19849 2821 1 6 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.146 -0.671 19849 2822 1 6 . 1 1 61 61 GLU H H 61 8.946 8.946 8.047 0.899 19849 2823 1 6 . 1 1 62 62 MET N N 62 116.213 116.213 117.620 -1.407 19849 2824 1 6 . 1 1 62 62 MET HA H 62 4.312 4.312 4.129 0.183 19849 2825 1 6 . 1 1 62 62 MET CA C 62 56.302 56.302 59.204 -2.902 19849 2826 1 6 . 1 1 62 62 MET CB C 62 30.553 30.553 32.694 -2.141 19849 2827 1 6 . 1 1 62 62 MET H H 62 8.693 8.693 8.288 0.405 19849 2828 1 6 . 1 1 63 63 LYS N N 63 116.969 116.969 115.981 0.988 19849 2829 1 6 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.117 -0.032 19849 2830 1 6 . 1 1 63 63 LYS C C 63 177.541 177.541 178.101 -0.560 19849 2831 1 6 . 1 1 63 63 LYS CA C 63 58.728 58.728 58.001 0.727 19849 2832 1 6 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.392 0.133 19849 2833 1 6 . 1 1 63 63 LYS H H 63 7.470 7.470 7.471 -0.001 19849 2834 1 6 . 1 1 64 64 GLU N N 64 115.556 115.556 118.973 -3.417 19849 2835 1 6 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.305 0.160 19849 2836 1 6 . 1 1 64 64 GLU C C 64 175.679 175.679 176.829 -1.150 19849 2837 1 6 . 1 1 64 64 GLU CA C 64 55.603 55.603 57.223 -1.620 19849 2838 1 6 . 1 1 64 64 GLU CB C 64 32.270 32.270 30.780 1.490 19849 2839 1 6 . 1 1 64 64 GLU H H 64 7.773 7.773 7.702 0.071 19849 2840 1 6 . 1 1 65 65 ILE N N 65 120.461 120.461 114.085 6.376 19849 2841 1 6 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.631 -0.552 19849 2842 1 6 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.715 1.993 19849 2843 1 6 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.069 0.013 19849 2844 1 6 . 1 1 65 65 ILE H H 65 7.502 7.502 7.634 -0.132 19849 2845 1 6 . 1 1 66 66 HIS N N 66 125.683 125.683 119.999 5.684 19849 2846 1 6 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.478 0.067 19849 2847 1 6 . 1 1 66 66 HIS CA C 66 57.683 57.683 57.242 0.441 19849 2848 1 6 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.400 -1.123 19849 2849 1 6 . 1 1 66 66 HIS H H 66 9.196 9.196 8.315 0.881 19849 2850 1 6 . 1 1 67 67 ALA N N 67 120.229 120.229 118.533 1.696 19849 2851 1 6 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.363 0.061 19849 2852 1 6 . 1 1 67 67 ALA C C 67 173.834 173.834 174.673 -0.839 19849 2853 1 6 . 1 1 67 67 ALA CA C 67 52.149 52.149 51.808 0.341 19849 2854 1 6 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.762 0.679 19849 2855 1 6 . 1 1 67 67 ALA H H 67 7.493 7.493 7.835 -0.342 19849 2856 1 6 . 1 1 68 68 LEU N N 68 124.546 124.546 123.402 1.144 19849 2857 1 6 . 1 1 68 68 LEU HA H 68 4.994 4.994 4.936 0.058 19849 2858 1 6 . 1 1 68 68 LEU C C 68 175.157 175.157 176.031 -0.874 19849 2859 1 6 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.163 -0.972 19849 2860 1 6 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.373 0.395 19849 2861 1 6 . 1 1 68 68 LEU H H 68 8.557 8.557 8.450 0.107 19849 2862 1 6 . 1 1 69 69 SER N N 69 122.077 122.077 121.402 0.675 19849 2863 1 6 . 1 1 69 69 SER HA H 69 4.677 4.677 4.510 0.167 19849 2864 1 6 . 1 1 69 69 SER C C 69 173.548 173.548 173.568 -0.020 19849 2865 1 6 . 1 1 69 69 SER CA C 69 55.803 55.803 57.706 -1.903 19849 2866 1 6 . 1 1 69 69 SER CB C 69 63.549 63.549 63.188 0.361 19849 2867 1 6 . 1 1 69 69 SER H H 69 8.854 8.854 9.266 -0.412 19849 2868 1 6 . 1 1 70 70 ILE N N 70 129.143 129.143 130.766 -1.623 19849 2869 1 6 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.467 -0.361 19849 2870 1 6 . 1 1 70 70 ILE C C 70 175.059 175.059 174.724 0.335 19849 2871 1 6 . 1 1 70 70 ILE CA C 70 60.633 60.633 59.261 1.372 19849 2872 1 6 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.281 -0.854 19849 2873 1 6 . 1 1 70 70 ILE H H 70 8.922 8.922 8.107 0.815 19849 2874 1 6 . 1 1 71 71 LYS N N 71 130.019 130.019 125.392 4.627 19849 2875 1 6 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.151 -0.079 19849 2876 1 6 . 1 1 71 71 LYS C C 71 177.201 177.201 177.108 0.093 19849 2877 1 6 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.283 -0.345 19849 2878 1 6 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.796 0.630 19849 2879 1 6 . 1 1 71 71 LYS H H 71 8.676 8.676 7.896 0.780 19849 2880 1 6 . 1 1 72 72 LYS N N 72 113.659 113.659 119.687 -6.028 19849 2881 1 6 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.528 -0.053 19849 2882 1 6 . 1 1 72 72 LYS C C 72 174.013 174.013 174.084 -0.071 19849 2883 1 6 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.376 0.589 19849 2884 1 6 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.649 3.045 19849 2885 1 6 . 1 1 72 72 LYS H H 72 7.195 7.195 7.496 -0.301 19849 2886 1 6 . 1 1 73 73 ALA N N 73 129.019 129.019 128.767 0.252 19849 2887 1 6 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.856 0.346 19849 2888 1 6 . 1 1 73 73 ALA C C 73 175.410 175.410 175.606 -0.196 19849 2889 1 6 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.093 0.855 19849 2890 1 6 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.407 -1.719 19849 2891 1 6 . 1 1 73 73 ALA H H 73 8.847 8.847 8.773 0.074 19849 2892 1 6 . 1 1 74 74 GLN N N 74 120.993 120.993 122.821 -1.828 19849 2893 1 6 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.729 0.117 19849 2894 1 6 . 1 1 74 74 GLN C C 74 175.603 175.603 174.315 1.288 19849 2895 1 6 . 1 1 74 74 GLN CA C 74 54.773 54.773 53.994 0.779 19849 2896 1 6 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.065 0.890 19849 2897 1 6 . 1 1 74 74 GLN H H 74 8.398 8.398 8.389 0.009 19849 2898 1 6 . 1 1 75 75 THR N N 75 111.917 111.917 112.407 -0.490 19849 2899 1 6 . 1 1 75 75 THR HA H 75 4.866 4.866 4.800 0.066 19849 2900 1 6 . 1 1 75 75 THR CA C 75 59.600 59.600 58.523 1.077 19849 2901 1 6 . 1 1 75 75 THR H H 75 8.920 8.920 8.557 0.363 19849 2902 1 6 . 1 1 76 76 PRO C C 76 177.659 177.659 177.509 0.150 19849 2903 1 6 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.376 1.067 19849 2904 1 6 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.585 0.291 19849 2905 1 6 . 1 1 77 77 GLN N N 77 114.329 114.329 116.472 -2.143 19849 2906 1 6 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.247 -0.181 19849 2907 1 6 . 1 1 77 77 GLN C C 77 177.630 177.630 177.416 0.214 19849 2908 1 6 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.234 0.418 19849 2909 1 6 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.937 0.301 19849 2910 1 6 . 1 1 77 77 GLN H H 77 8.481 8.481 8.516 -0.035 19849 2911 1 6 . 1 1 78 78 GLN N N 78 116.831 116.831 117.598 -0.767 19849 2912 1 6 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.380 -0.287 19849 2913 1 6 . 1 1 78 78 GLN C C 78 176.403 176.403 177.313 -0.910 19849 2914 1 6 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.357 -0.064 19849 2915 1 6 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.618 1.356 19849 2916 1 6 . 1 1 78 78 GLN H H 78 7.503 7.503 8.039 -0.536 19849 2917 1 6 . 1 1 79 79 TRP N N 79 120.561 120.561 121.530 -0.969 19849 2918 1 6 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.467 -0.080 19849 2919 1 6 . 1 1 79 79 TRP C C 79 175.429 175.429 176.872 -1.443 19849 2920 1 6 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.837 -1.276 19849 2921 1 6 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.314 1.600 19849 2922 1 6 . 1 1 79 79 TRP H H 79 7.668 7.668 8.451 -0.783 19849 2923 1 6 . 1 1 80 80 LYS N N 80 120.883 120.883 119.184 1.699 19849 2924 1 6 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.161 0.039 19849 2925 1 6 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.560 -5.522 19849 2926 1 6 . 1 1 80 80 LYS H H 80 7.768 7.768 8.098 -0.330 19849 2927 1 6 . 1 1 82 82 PRO C C 82 176.919 176.919 176.309 0.610 19849 2928 1 6 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.290 0.650 19849 2929 1 6 . 1 1 82 82 PRO CB C 82 32.026 32.026 33.094 -1.068 19849 2930 1 6 . 1 1 83 83 SER N N 83 115.592 115.592 114.103 1.489 19849 2931 1 6 . 1 1 83 83 SER HA H 83 4.315 4.315 4.495 -0.180 19849 2932 1 6 . 1 1 83 83 SER C C 83 174.665 174.665 173.991 0.674 19849 2933 1 6 . 1 1 83 83 SER CA C 83 58.162 58.162 58.151 0.011 19849 2934 1 6 . 1 1 83 83 SER CB C 83 63.831 63.831 64.334 -0.503 19849 2935 1 6 . 1 1 83 83 SER H H 83 8.264 8.264 8.252 0.012 19849 2936 1 6 . 1 1 84 84 GLN N N 84 122.131 122.131 120.853 1.278 19849 2937 1 6 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.387 -0.098 19849 2938 1 6 . 1 1 84 84 GLN C C 84 175.598 175.598 176.473 -0.875 19849 2939 1 6 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.743 -0.892 19849 2940 1 6 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.427 0.192 19849 2941 1 6 . 1 1 84 84 GLN H H 84 8.430 8.430 7.654 0.776 19849 2942 1 6 . 1 1 85 85 ASP N N 85 121.550 121.550 120.045 1.505 19849 2943 1 6 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.553 -0.019 19849 2944 1 6 . 1 1 85 85 ASP C C 85 176.431 176.431 177.461 -1.030 19849 2945 1 6 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.029 -1.605 19849 2946 1 6 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.529 0.741 19849 2947 1 6 . 1 1 85 85 ASP H H 85 8.307 8.307 8.613 -0.306 19849 2948 1 6 . 1 1 86 86 SER N N 86 116.617 116.617 113.471 3.146 19849 2949 1 6 . 1 1 86 86 SER HA H 86 4.316 4.316 4.386 -0.070 19849 2950 1 6 . 1 1 86 86 SER C C 86 174.590 174.590 174.997 -0.407 19849 2951 1 6 . 1 1 86 86 SER CA C 86 58.797 58.797 59.579 -0.782 19849 2952 1 6 . 1 1 86 86 SER CB C 86 63.667 63.667 63.410 0.257 19849 2953 1 6 . 1 1 86 86 SER H H 86 8.231 8.231 8.162 0.069 19849 2954 1 6 . 1 1 87 87 ALA N N 87 125.663 125.663 122.815 2.848 19849 2955 1 6 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.684 -0.394 19849 2956 1 6 . 1 1 87 87 ALA C C 87 178.018 178.018 177.682 0.336 19849 2957 1 6 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.156 0.796 19849 2958 1 6 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.944 0.173 19849 2959 1 6 . 1 1 87 87 ALA H H 87 8.312 8.312 7.464 0.848 19849 2960 1 6 . 1 1 88 88 THR N N 88 112.987 112.987 113.100 -0.113 19849 2961 1 6 . 1 1 88 88 THR HA H 88 4.221 4.221 4.349 -0.128 19849 2962 1 6 . 1 1 88 88 THR C C 88 174.488 174.488 174.135 0.353 19849 2963 1 6 . 1 1 88 88 THR CA C 88 62.115 62.115 62.585 -0.470 19849 2964 1 6 . 1 1 88 88 THR CB C 88 69.626 69.626 68.729 0.897 19849 2965 1 6 . 1 1 88 88 THR H H 88 7.997 7.997 7.881 0.116 19849 2966 1 6 . 1 1 89 89 LEU N N 89 124.655 124.655 118.813 5.842 19849 2967 1 6 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.527 -0.171 19849 2968 1 6 . 1 1 89 89 LEU C C 89 177.367 177.367 178.120 -0.753 19849 2969 1 6 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.556 -0.293 19849 2970 1 6 . 1 1 89 89 LEU CB C 89 42.492 42.492 41.867 0.625 19849 2971 1 6 . 1 1 89 89 LEU H H 89 8.119 8.119 7.546 0.573 19849 2972 1 6 . 1 1 90 90 THR N N 90 115.527 115.527 113.504 2.023 19849 2973 1 6 . 1 1 90 90 THR HA H 90 4.261 4.261 4.190 0.071 19849 2974 1 6 . 1 1 90 90 THR CA C 90 61.707 61.707 64.407 -2.700 19849 2975 1 6 . 1 1 90 90 THR CB C 90 69.825 69.825 69.109 0.716 19849 2976 1 6 . 1 1 90 90 THR H H 90 8.086 8.086 7.680 0.406 19849 2977 1 6 . 1 1 91 91 LYS N N 91 123.923 123.923 117.556 6.367 19849 2978 1 6 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.475 -0.182 19849 2979 1 6 . 1 1 91 91 LYS C C 91 175.949 175.949 175.777 0.172 19849 2980 1 6 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.181 -0.017 19849 2981 1 6 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.511 -0.252 19849 2982 1 6 . 1 1 91 91 LYS H H 91 8.272 8.272 7.835 0.437 19849 2983 1 6 . 1 1 92 92 ASP N N 92 122.237 122.237 119.771 2.466 19849 2984 1 6 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.249 0.261 19849 2985 1 6 . 1 1 92 92 ASP C C 92 174.733 174.733 174.836 -0.103 19849 2986 1 6 . 1 1 92 92 ASP CA C 92 54.535 54.535 57.158 -2.623 19849 2987 1 6 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.638 0.473 19849 2988 1 6 . 1 1 92 92 ASP H H 92 8.340 8.340 8.464 -0.124 19849 2989 1 7 . 1 1 2 2 VAL N N 2 120.462 120.462 124.301 -3.839 19849 2990 1 7 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.579 -0.071 19849 2991 1 7 . 1 1 2 2 VAL C C 2 174.797 174.797 174.145 0.652 19849 2992 1 7 . 1 1 2 2 VAL CA C 2 61.285 61.285 62.361 -1.076 19849 2993 1 7 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.136 -0.315 19849 2994 1 7 . 1 1 2 2 VAL H H 2 8.729 8.729 8.480 0.249 19849 2995 1 7 . 1 1 3 3 THR N N 3 113.531 113.531 120.555 -7.024 19849 2996 1 7 . 1 1 3 3 THR HA H 3 4.794 4.794 4.775 0.019 19849 2997 1 7 . 1 1 3 3 THR C C 3 175.419 175.419 174.063 1.356 19849 2998 1 7 . 1 1 3 3 THR CA C 3 59.466 59.466 61.365 -1.899 19849 2999 1 7 . 1 1 3 3 THR H H 3 7.740 7.740 8.302 -0.562 19849 3000 1 7 . 1 1 4 4 LYS N N 4 121.981 121.981 123.853 -1.872 19849 3001 1 7 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.992 -0.555 19849 3002 1 7 . 1 1 4 4 LYS C C 4 177.186 177.186 177.208 -0.022 19849 3003 1 7 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.795 0.921 19849 3004 1 7 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.452 0.758 19849 3005 1 7 . 1 1 4 4 LYS H H 4 9.168 9.168 8.973 0.195 19849 3006 1 7 . 1 1 5 5 GLU N N 5 117.723 117.723 117.132 0.591 19849 3007 1 7 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.168 -0.116 19849 3008 1 7 . 1 1 5 5 GLU C C 5 179.351 179.351 178.534 0.817 19849 3009 1 7 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.129 1.379 19849 3010 1 7 . 1 1 5 5 GLU CB C 5 28.394 28.394 28.978 -0.584 19849 3011 1 7 . 1 1 5 5 GLU H H 5 8.835 8.835 8.752 0.083 19849 3012 1 7 . 1 1 6 6 GLN N N 6 122.133 122.133 118.639 3.494 19849 3013 1 7 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.195 -0.186 19849 3014 1 7 . 1 1 6 6 GLN C C 6 178.109 178.109 177.962 0.147 19849 3015 1 7 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.507 0.371 19849 3016 1 7 . 1 1 6 6 GLN CB C 6 28.873 28.873 27.983 0.890 19849 3017 1 7 . 1 1 6 6 GLN H H 6 7.867 7.867 7.613 0.254 19849 3018 1 7 . 1 1 7 7 VAL N N 7 120.130 120.130 121.236 -1.106 19849 3019 1 7 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.575 -0.438 19849 3020 1 7 . 1 1 7 7 VAL C C 7 177.807 177.807 177.955 -0.148 19849 3021 1 7 . 1 1 7 7 VAL CA C 7 66.513 66.513 65.823 0.690 19849 3022 1 7 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.438 0.803 19849 3023 1 7 . 1 1 7 7 VAL H H 7 7.447 7.447 7.338 0.109 19849 3024 1 7 . 1 1 8 8 GLU N N 8 117.342 117.342 120.734 -3.392 19849 3025 1 7 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.956 -0.386 19849 3026 1 7 . 1 1 8 8 GLU C C 8 174.166 174.166 178.207 -4.041 19849 3027 1 7 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.364 0.336 19849 3028 1 7 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.956 0.888 19849 3029 1 7 . 1 1 8 8 GLU H H 8 8.529 8.529 8.065 0.464 19849 3030 1 7 . 1 1 9 9 ALA N N 9 124.344 124.344 120.036 4.308 19849 3031 1 7 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.243 0.177 19849 3032 1 7 . 1 1 9 9 ALA C C 9 177.996 177.996 179.733 -1.737 19849 3033 1 7 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.608 0.915 19849 3034 1 7 . 1 1 9 9 ALA H H 9 8.301 8.301 7.620 0.681 19849 3035 1 7 . 1 1 10 10 SER N N 10 117.198 117.198 115.307 1.891 19849 3036 1 7 . 1 1 10 10 SER HA H 10 4.374 4.374 4.212 0.162 19849 3037 1 7 . 1 1 10 10 SER C C 10 175.219 175.219 176.270 -1.051 19849 3038 1 7 . 1 1 10 10 SER CA C 10 62.207 62.207 62.306 -0.099 19849 3039 1 7 . 1 1 10 10 SER H H 10 8.303 8.303 7.604 0.699 19849 3040 1 7 . 1 1 11 11 LEU N N 11 118.287 118.287 121.903 -3.616 19849 3041 1 7 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.078 -0.264 19849 3042 1 7 . 1 1 11 11 LEU C C 11 179.247 179.247 178.822 0.425 19849 3043 1 7 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.962 0.248 19849 3044 1 7 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.615 0.913 19849 3045 1 7 . 1 1 11 11 LEU H H 11 7.973 7.973 8.612 -0.639 19849 3046 1 7 . 1 1 12 12 THR N N 12 116.416 116.416 113.645 2.771 19849 3047 1 7 . 1 1 12 12 THR HA H 12 3.530 3.530 4.007 -0.477 19849 3048 1 7 . 1 1 12 12 THR C C 12 176.464 176.464 175.780 0.684 19849 3049 1 7 . 1 1 12 12 THR CA C 12 67.016 67.016 66.237 0.779 19849 3050 1 7 . 1 1 12 12 THR CB C 12 68.586 68.586 68.207 0.379 19849 3051 1 7 . 1 1 12 12 THR H H 12 8.440 8.440 7.826 0.614 19849 3052 1 7 . 1 1 13 13 SER N N 13 115.144 115.144 115.715 -0.571 19849 3053 1 7 . 1 1 13 13 SER HA H 13 4.105 4.105 4.384 -0.279 19849 3054 1 7 . 1 1 13 13 SER C C 13 176.285 176.285 175.751 0.534 19849 3055 1 7 . 1 1 13 13 SER CA C 13 61.032 61.032 60.257 0.775 19849 3056 1 7 . 1 1 13 13 SER CB C 13 63.045 63.045 63.225 -0.180 19849 3057 1 7 . 1 1 13 13 SER H H 13 8.022 8.022 7.483 0.539 19849 3058 1 7 . 1 1 14 14 LYS N N 14 116.028 116.028 119.775 -3.747 19849 3059 1 7 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.313 -0.003 19849 3060 1 7 . 1 1 14 14 LYS C C 14 178.041 178.041 177.709 0.332 19849 3061 1 7 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.086 -0.244 19849 3062 1 7 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.136 0.721 19849 3063 1 7 . 1 1 14 14 LYS H H 14 7.466 7.466 7.941 -0.475 19849 3064 1 7 . 1 1 15 15 LEU N N 15 114.405 114.405 116.364 -1.959 19849 3065 1 7 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.509 -0.090 19849 3066 1 7 . 1 1 15 15 LEU CA C 15 53.924 53.924 52.991 0.933 19849 3067 1 7 . 1 1 15 15 LEU CB C 15 42.360 42.360 42.142 0.218 19849 3068 1 7 . 1 1 15 15 LEU H H 15 7.842 7.842 7.960 -0.118 19849 3069 1 7 . 1 1 16 16 LYS N N 16 116.513 116.513 117.030 -0.517 19849 3070 1 7 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.171 -0.051 19849 3071 1 7 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.582 -0.285 19849 3072 1 7 . 1 1 16 16 LYS H H 16 7.421 7.421 7.481 -0.060 19849 3073 1 7 . 1 1 17 17 PRO C C 17 177.159 177.159 175.870 1.289 19849 3074 1 7 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.361 -0.466 19849 3075 1 7 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.567 2.740 19849 3076 1 7 . 1 1 18 18 ILE N N 18 116.671 116.671 120.047 -3.376 19849 3077 1 7 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.108 0.186 19849 3078 1 7 . 1 1 18 18 ILE C C 18 175.085 175.085 176.198 -1.113 19849 3079 1 7 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.411 -1.384 19849 3080 1 7 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.879 0.137 19849 3081 1 7 . 1 1 18 18 ILE H H 18 7.917 7.917 7.993 -0.076 19849 3082 1 7 . 1 1 19 19 HIS N N 19 117.574 117.574 118.805 -1.231 19849 3083 1 7 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.705 -0.263 19849 3084 1 7 . 1 1 19 19 HIS C C 19 171.727 171.727 172.977 -1.250 19849 3085 1 7 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.418 0.956 19849 3086 1 7 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.700 1.859 19849 3087 1 7 . 1 1 19 19 HIS H H 19 6.968 6.968 7.797 -0.829 19849 3088 1 7 . 1 1 20 20 LEU N N 20 128.803 128.803 126.920 1.883 19849 3089 1 7 . 1 1 20 20 LEU HA H 20 4.806 4.806 4.778 0.028 19849 3090 1 7 . 1 1 20 20 LEU C C 20 173.636 173.636 175.917 -2.281 19849 3091 1 7 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.623 -0.199 19849 3092 1 7 . 1 1 20 20 LEU CB C 20 45.564 45.564 42.359 3.205 19849 3093 1 7 . 1 1 20 20 LEU H H 20 7.928 7.928 8.259 -0.331 19849 3094 1 7 . 1 1 21 21 GLU N N 21 125.639 125.639 125.201 0.438 19849 3095 1 7 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.549 -0.039 19849 3096 1 7 . 1 1 21 21 GLU C C 21 174.143 174.143 174.977 -0.834 19849 3097 1 7 . 1 1 21 21 GLU CA C 21 55.709 55.709 54.195 1.514 19849 3098 1 7 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.009 2.584 19849 3099 1 7 . 1 1 21 21 GLU H H 21 8.703 8.703 8.322 0.381 19849 3100 1 7 . 1 1 22 22 VAL N N 22 126.675 126.675 120.502 6.173 19849 3101 1 7 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.797 -0.180 19849 3102 1 7 . 1 1 22 22 VAL C C 22 173.843 173.843 175.859 -2.016 19849 3103 1 7 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.508 0.851 19849 3104 1 7 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.100 0.571 19849 3105 1 7 . 1 1 22 22 VAL H H 22 8.936 8.936 8.572 0.364 19849 3106 1 7 . 1 1 23 23 ILE N N 23 126.078 126.078 128.200 -2.122 19849 3107 1 7 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.228 0.245 19849 3108 1 7 . 1 1 23 23 ILE C C 23 175.007 175.007 175.424 -0.417 19849 3109 1 7 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.518 -0.072 19849 3110 1 7 . 1 1 23 23 ILE CB C 23 41.237 41.237 35.651 5.586 19849 3111 1 7 . 1 1 23 23 ILE H H 23 9.099 9.099 9.140 -0.041 19849 3112 1 7 . 1 1 24 24 ASP N N 24 127.026 127.026 128.690 -1.664 19849 3113 1 7 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.450 0.160 19849 3114 1 7 . 1 1 24 24 ASP C C 24 176.888 176.888 175.678 1.210 19849 3115 1 7 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.344 -1.480 19849 3116 1 7 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.061 -0.029 19849 3117 1 7 . 1 1 24 24 ASP H H 24 9.152 9.152 8.276 0.876 19849 3118 1 7 . 1 1 25 25 ILE N N 25 123.148 123.148 124.866 -1.718 19849 3119 1 7 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.204 0.388 19849 3120 1 7 . 1 1 25 25 ILE C C 25 175.765 175.765 175.769 -0.004 19849 3121 1 7 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.413 -0.301 19849 3122 1 7 . 1 1 25 25 ILE CB C 25 36.913 36.913 39.024 -2.111 19849 3123 1 7 . 1 1 25 25 ILE H H 25 7.915 7.915 7.648 0.267 19849 3124 1 7 . 1 1 26 26 SER N N 26 119.373 119.373 114.554 4.819 19849 3125 1 7 . 1 1 26 26 SER HA H 26 4.520 4.520 4.218 0.302 19849 3126 1 7 . 1 1 26 26 SER C C 26 175.488 175.488 173.963 1.525 19849 3127 1 7 . 1 1 26 26 SER CA C 26 58.030 58.030 59.460 -1.430 19849 3128 1 7 . 1 1 26 26 SER CB C 26 64.605 64.605 62.358 2.247 19849 3129 1 7 . 1 1 26 26 SER H H 26 9.175 9.175 7.805 1.370 19849 3130 1 7 . 1 1 27 27 GLY N N 27 111.902 111.902 109.366 2.536 19849 3131 1 7 . 1 1 27 27 GLY C C 27 175.418 175.418 173.702 1.716 19849 3132 1 7 . 1 1 27 27 GLY CA C 27 46.435 46.435 44.913 1.522 19849 3133 1 7 . 1 1 27 27 GLY H H 27 8.417 8.417 8.682 -0.265 19849 3134 1 7 . 1 1 28 28 GLY N N 28 106.936 106.936 109.138 -2.202 19849 3135 1 7 . 1 1 28 28 GLY C C 28 177.627 177.627 173.943 3.684 19849 3136 1 7 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.638 -0.010 19849 3137 1 7 . 1 1 28 28 GLY H H 28 7.864 7.864 7.793 0.071 19849 3138 1 7 . 1 1 29 29 CYS N N 29 116.829 116.829 118.669 -1.840 19849 3139 1 7 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.372 -0.009 19849 3140 1 7 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.886 -0.446 19849 3141 1 7 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.303 -0.445 19849 3142 1 7 . 1 1 29 29 CYS H H 29 7.380 7.380 7.448 -0.068 19849 3143 1 7 . 1 1 30 30 GLY N N 30 111.626 111.626 108.009 3.617 19849 3144 1 7 . 1 1 30 30 GLY C C 30 173.383 173.383 173.768 -0.385 19849 3145 1 7 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.797 1.288 19849 3146 1 7 . 1 1 30 30 GLY H H 30 8.965 8.965 8.062 0.903 19849 3147 1 7 . 1 1 31 31 SER N N 31 111.735 111.735 119.127 -7.392 19849 3148 1 7 . 1 1 31 31 SER HA H 31 4.639 4.639 4.059 0.580 19849 3149 1 7 . 1 1 31 31 SER C C 31 174.246 174.246 173.458 0.788 19849 3150 1 7 . 1 1 31 31 SER CA C 31 58.203 58.203 59.349 -1.146 19849 3151 1 7 . 1 1 31 31 SER CB C 31 64.459 64.459 63.363 1.096 19849 3152 1 7 . 1 1 31 31 SER H H 31 8.220 8.220 8.255 -0.035 19849 3153 1 7 . 1 1 32 32 SER N N 32 116.259 116.259 121.506 -5.247 19849 3154 1 7 . 1 1 32 32 SER HA H 32 5.346 5.346 4.979 0.367 19849 3155 1 7 . 1 1 32 32 SER C C 32 176.363 176.363 172.861 3.502 19849 3156 1 7 . 1 1 32 32 SER CA C 32 57.400 57.400 57.307 0.093 19849 3157 1 7 . 1 1 32 32 SER CB C 32 62.866 62.866 65.675 -2.809 19849 3158 1 7 . 1 1 32 32 SER H H 32 7.253 7.253 7.535 -0.282 19849 3159 1 7 . 1 1 33 33 PHE N N 33 118.533 118.533 123.068 -4.535 19849 3160 1 7 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.044 0.612 19849 3161 1 7 . 1 1 33 33 PHE C C 33 174.163 174.163 174.710 -0.547 19849 3162 1 7 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.714 -0.332 19849 3163 1 7 . 1 1 33 33 PHE CB C 33 44.450 44.450 43.285 1.165 19849 3164 1 7 . 1 1 33 33 PHE H H 33 7.995 7.995 9.149 -1.154 19849 3165 1 7 . 1 1 34 34 GLU N N 34 122.301 122.301 123.217 -0.916 19849 3166 1 7 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.932 0.628 19849 3167 1 7 . 1 1 34 34 GLU C C 34 175.902 175.902 175.152 0.750 19849 3168 1 7 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.080 -0.704 19849 3169 1 7 . 1 1 34 34 GLU CB C 34 33.543 33.543 30.970 2.573 19849 3170 1 7 . 1 1 34 34 GLU H H 34 9.436 9.436 8.602 0.834 19849 3171 1 7 . 1 1 35 35 VAL N N 35 118.350 118.350 126.927 -8.577 19849 3172 1 7 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.895 0.474 19849 3173 1 7 . 1 1 35 35 VAL C C 35 174.616 174.616 174.040 0.576 19849 3174 1 7 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.646 -0.282 19849 3175 1 7 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.426 0.752 19849 3176 1 7 . 1 1 35 35 VAL H H 35 8.784 8.784 9.158 -0.374 19849 3177 1 7 . 1 1 36 36 GLU N N 36 123.537 123.537 128.309 -4.772 19849 3178 1 7 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.684 0.285 19849 3179 1 7 . 1 1 36 36 GLU C C 36 174.745 174.745 175.377 -0.632 19849 3180 1 7 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.947 0.245 19849 3181 1 7 . 1 1 36 36 GLU CB C 36 33.086 33.086 30.731 2.355 19849 3182 1 7 . 1 1 36 36 GLU H H 36 8.859 8.859 8.674 0.185 19849 3183 1 7 . 1 1 37 37 VAL N N 37 120.272 120.272 120.929 -0.657 19849 3184 1 7 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.633 -1.021 19849 3185 1 7 . 1 1 37 37 VAL C C 37 172.679 172.679 174.774 -2.095 19849 3186 1 7 . 1 1 37 37 VAL CA C 37 60.290 60.290 58.829 1.461 19849 3187 1 7 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.867 0.154 19849 3188 1 7 . 1 1 37 37 VAL H H 37 8.497 8.497 9.186 -0.689 19849 3189 1 7 . 1 1 38 38 VAL N N 38 127.971 127.971 122.972 4.999 19849 3190 1 7 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.301 -0.044 19849 3191 1 7 . 1 1 38 38 VAL C C 38 175.842 175.842 174.780 1.062 19849 3192 1 7 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.863 -1.389 19849 3193 1 7 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.042 1.073 19849 3194 1 7 . 1 1 38 38 VAL H H 38 8.169 8.169 8.442 -0.273 19849 3195 1 7 . 1 1 39 39 SER N N 39 117.426 117.426 119.157 -1.731 19849 3196 1 7 . 1 1 39 39 SER HA H 39 4.821 4.821 4.805 0.016 19849 3197 1 7 . 1 1 39 39 SER C C 39 175.323 175.323 174.375 0.948 19849 3198 1 7 . 1 1 39 39 SER CA C 39 55.888 55.888 55.457 0.431 19849 3199 1 7 . 1 1 39 39 SER CB C 39 64.183 64.183 65.756 -1.573 19849 3200 1 7 . 1 1 39 39 SER H H 39 8.304 8.304 8.020 0.284 19849 3201 1 7 . 1 1 40 40 GLU N N 40 131.571 131.571 123.558 8.013 19849 3202 1 7 . 1 1 40 40 GLU HA H 40 4.119 4.119 3.997 0.122 19849 3203 1 7 . 1 1 40 40 GLU C C 40 177.887 177.887 176.981 0.906 19849 3204 1 7 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.786 -0.105 19849 3205 1 7 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.171 0.459 19849 3206 1 7 . 1 1 40 40 GLU H H 40 9.911 9.911 8.988 0.923 19849 3207 1 7 . 1 1 41 41 GLN N N 41 117.534 117.534 117.344 0.190 19849 3208 1 7 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.191 -0.207 19849 3209 1 7 . 1 1 41 41 GLN C C 41 176.391 176.391 175.327 1.064 19849 3210 1 7 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.751 0.692 19849 3211 1 7 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.789 0.114 19849 3212 1 7 . 1 1 41 41 GLN H H 41 8.219 8.219 7.808 0.411 19849 3213 1 7 . 1 1 42 42 PHE N N 42 113.224 113.224 116.338 -3.114 19849 3214 1 7 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.745 -0.219 19849 3215 1 7 . 1 1 42 42 PHE C C 42 175.064 175.064 175.014 0.050 19849 3216 1 7 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.353 -0.214 19849 3217 1 7 . 1 1 42 42 PHE CB C 42 37.636 37.636 39.011 -1.375 19849 3218 1 7 . 1 1 42 42 PHE H H 42 6.894 6.894 7.613 -0.719 19849 3219 1 7 . 1 1 43 43 GLU N N 43 121.136 121.136 121.893 -0.757 19849 3220 1 7 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.313 -0.346 19849 3221 1 7 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.422 1.940 19849 3222 1 7 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.941 0.293 19849 3223 1 7 . 1 1 43 43 GLU H H 43 7.469 7.469 7.572 -0.103 19849 3224 1 7 . 1 1 44 44 GLY N N 44 114.819 114.819 117.269 -2.450 19849 3225 1 7 . 1 1 44 44 GLY C C 44 174.101 174.101 174.518 -0.417 19849 3226 1 7 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.122 -0.497 19849 3227 1 7 . 1 1 44 44 GLY H H 44 9.014 9.014 8.706 0.308 19849 3228 1 7 . 1 1 45 45 LYS N N 45 118.678 118.678 120.005 -1.327 19849 3229 1 7 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.484 0.205 19849 3230 1 7 . 1 1 45 45 LYS C C 45 177.858 177.858 176.150 1.708 19849 3231 1 7 . 1 1 45 45 LYS CA C 45 53.561 53.561 55.281 -1.720 19849 3232 1 7 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.733 -0.292 19849 3233 1 7 . 1 1 45 45 LYS H H 45 7.932 7.932 7.360 0.572 19849 3234 1 7 . 1 1 46 46 ARG N N 46 125.430 125.430 121.103 4.327 19849 3235 1 7 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.438 -0.145 19849 3236 1 7 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.192 0.587 19849 3237 1 7 . 1 1 46 46 ARG H H 46 9.288 9.288 8.576 0.712 19849 3238 1 7 . 1 1 47 47 LEU N N 47 124.205 124.205 124.433 -0.228 19849 3239 1 7 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.575 0.127 19849 3240 1 7 . 1 1 47 47 LEU C C 47 178.476 178.476 178.948 -0.472 19849 3241 1 7 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.206 2.483 19849 3242 1 7 . 1 1 47 47 LEU H H 47 8.320 8.320 8.939 -0.619 19849 3243 1 7 . 1 1 48 48 LEU N N 48 115.874 115.874 119.293 -3.419 19849 3244 1 7 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.182 -0.410 19849 3245 1 7 . 1 1 48 48 LEU C C 48 179.985 179.985 178.459 1.526 19849 3246 1 7 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.094 0.529 19849 3247 1 7 . 1 1 48 48 LEU H H 48 8.587 8.587 8.076 0.511 19849 3248 1 7 . 1 1 49 49 GLU N N 49 118.216 118.216 118.423 -0.207 19849 3249 1 7 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.948 0.160 19849 3250 1 7 . 1 1 49 49 GLU C C 49 177.944 177.944 179.518 -1.574 19849 3251 1 7 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.419 -1.001 19849 3252 1 7 . 1 1 49 49 GLU H H 49 6.964 6.964 7.895 -0.931 19849 3253 1 7 . 1 1 50 50 ARG N N 50 119.674 119.674 119.236 0.438 19849 3254 1 7 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.240 -0.323 19849 3255 1 7 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.580 -0.506 19849 3256 1 7 . 1 1 50 50 ARG CB C 50 29.011 29.011 29.994 -0.983 19849 3257 1 7 . 1 1 50 50 ARG H H 50 7.991 7.991 8.410 -0.419 19849 3258 1 7 . 1 1 51 51 HIS N N 51 117.056 117.056 117.934 -0.878 19849 3259 1 7 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.362 -0.366 19849 3260 1 7 . 1 1 51 51 HIS C C 51 176.638 176.638 177.809 -1.171 19849 3261 1 7 . 1 1 51 51 HIS H H 51 8.294 8.294 8.120 0.174 19849 3262 1 7 . 1 1 52 52 ARG N N 52 120.626 120.626 119.818 0.808 19849 3263 1 7 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.109 0.109 19849 3264 1 7 . 1 1 52 52 ARG C C 52 179.014 179.014 177.688 1.326 19849 3265 1 7 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.786 1.206 19849 3266 1 7 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.321 -0.762 19849 3267 1 7 . 1 1 52 52 ARG H H 52 8.001 8.001 8.298 -0.297 19849 3268 1 7 . 1 1 53 53 MET N N 53 119.087 119.087 117.919 1.168 19849 3269 1 7 . 1 1 53 53 MET HA H 53 4.006 4.006 4.454 -0.448 19849 3270 1 7 . 1 1 53 53 MET C C 53 179.286 179.286 177.533 1.753 19849 3271 1 7 . 1 1 53 53 MET CA C 53 59.404 59.404 57.178 2.226 19849 3272 1 7 . 1 1 53 53 MET CB C 53 34.976 34.976 33.079 1.897 19849 3273 1 7 . 1 1 53 53 MET H H 53 8.162 8.162 7.676 0.486 19849 3274 1 7 . 1 1 54 54 VAL N N 54 120.886 120.886 120.021 0.865 19849 3275 1 7 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.618 -0.193 19849 3276 1 7 . 1 1 54 54 VAL C C 54 176.296 176.296 177.530 -1.234 19849 3277 1 7 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.034 0.799 19849 3278 1 7 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.120 -0.675 19849 3279 1 7 . 1 1 54 54 VAL H H 54 7.790 7.790 8.059 -0.269 19849 3280 1 7 . 1 1 55 55 ASN N N 55 116.881 116.881 117.069 -0.188 19849 3281 1 7 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.515 -0.502 19849 3282 1 7 . 1 1 55 55 ASN C C 55 178.422 178.422 176.493 1.929 19849 3283 1 7 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.021 2.108 19849 3284 1 7 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.400 0.467 19849 3285 1 7 . 1 1 55 55 ASN H H 55 8.032 8.032 8.082 -0.050 19849 3286 1 7 . 1 1 56 56 ALA N N 56 121.164 121.164 122.251 -1.087 19849 3287 1 7 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.169 -0.086 19849 3288 1 7 . 1 1 56 56 ALA C C 56 180.700 180.700 178.827 1.873 19849 3289 1 7 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.418 0.182 19849 3290 1 7 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.215 0.047 19849 3291 1 7 . 1 1 56 56 ALA H H 56 8.578 8.578 7.792 0.786 19849 3292 1 7 . 1 1 57 57 ALA N N 57 121.156 121.156 120.355 0.801 19849 3293 1 7 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.368 -0.336 19849 3294 1 7 . 1 1 57 57 ALA C C 57 177.240 177.240 177.392 -0.152 19849 3295 1 7 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.771 0.316 19849 3296 1 7 . 1 1 57 57 ALA CB C 57 18.462 18.462 18.913 -0.451 19849 3297 1 7 . 1 1 57 57 ALA H H 57 7.609 7.609 7.417 0.192 19849 3298 1 7 . 1 1 58 58 LEU N N 58 116.065 116.065 116.741 -0.676 19849 3299 1 7 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.949 -0.054 19849 3300 1 7 . 1 1 58 58 LEU C C 58 176.446 176.446 177.220 -0.774 19849 3301 1 7 . 1 1 58 58 LEU CA C 58 52.521 52.521 53.950 -1.429 19849 3302 1 7 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.846 -0.093 19849 3303 1 7 . 1 1 58 58 LEU H H 58 6.995 6.995 7.583 -0.588 19849 3304 1 7 . 1 1 59 59 GLU N N 59 120.288 120.288 121.546 -1.258 19849 3305 1 7 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.006 -0.232 19849 3306 1 7 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.068 0.668 19849 3307 1 7 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.701 0.305 19849 3308 1 7 . 1 1 59 59 GLU H H 59 7.034 7.034 7.888 -0.854 19849 3309 1 7 . 1 1 60 60 GLU N N 60 116.322 116.322 118.465 -2.143 19849 3310 1 7 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.127 -0.097 19849 3311 1 7 . 1 1 60 60 GLU C C 60 179.270 179.270 177.913 1.357 19849 3312 1 7 . 1 1 60 60 GLU CA C 60 58.693 58.693 58.946 -0.253 19849 3313 1 7 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.147 1.169 19849 3314 1 7 . 1 1 60 60 GLU H H 60 8.622 8.622 8.667 -0.045 19849 3315 1 7 . 1 1 61 61 GLU N N 61 121.506 121.506 119.754 1.752 19849 3316 1 7 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.072 -0.182 19849 3317 1 7 . 1 1 61 61 GLU C C 61 179.010 179.010 177.988 1.022 19849 3318 1 7 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.157 1.805 19849 3319 1 7 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.153 -0.678 19849 3320 1 7 . 1 1 61 61 GLU H H 61 8.946 8.946 7.929 1.017 19849 3321 1 7 . 1 1 62 62 MET N N 62 116.213 116.213 118.181 -1.968 19849 3322 1 7 . 1 1 62 62 MET HA H 62 4.312 4.312 4.221 0.091 19849 3323 1 7 . 1 1 62 62 MET CA C 62 56.302 56.302 57.462 -1.160 19849 3324 1 7 . 1 1 62 62 MET CB C 62 30.553 30.553 32.737 -2.184 19849 3325 1 7 . 1 1 62 62 MET H H 62 8.693 8.693 8.224 0.469 19849 3326 1 7 . 1 1 63 63 LYS N N 63 116.969 116.969 115.595 1.374 19849 3327 1 7 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.199 -0.114 19849 3328 1 7 . 1 1 63 63 LYS C C 63 177.541 177.541 177.751 -0.210 19849 3329 1 7 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.735 0.993 19849 3330 1 7 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.144 0.381 19849 3331 1 7 . 1 1 63 63 LYS H H 63 7.470 7.470 7.523 -0.053 19849 3332 1 7 . 1 1 64 64 GLU N N 64 115.556 115.556 120.201 -4.645 19849 3333 1 7 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.335 0.130 19849 3334 1 7 . 1 1 64 64 GLU C C 64 175.679 175.679 176.636 -0.957 19849 3335 1 7 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.696 -1.093 19849 3336 1 7 . 1 1 64 64 GLU CB C 64 32.270 32.270 30.592 1.678 19849 3337 1 7 . 1 1 64 64 GLU H H 64 7.773 7.773 7.906 -0.133 19849 3338 1 7 . 1 1 65 65 ILE N N 65 120.461 120.461 113.290 7.171 19849 3339 1 7 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.509 -0.430 19849 3340 1 7 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.018 2.690 19849 3341 1 7 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.796 0.286 19849 3342 1 7 . 1 1 65 65 ILE H H 65 7.502 7.502 7.499 0.003 19849 3343 1 7 . 1 1 66 66 HIS N N 66 125.683 125.683 119.658 6.025 19849 3344 1 7 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.728 -0.183 19849 3345 1 7 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.829 1.854 19849 3346 1 7 . 1 1 66 66 HIS CB C 66 30.277 30.277 32.340 -2.063 19849 3347 1 7 . 1 1 66 66 HIS H H 66 9.196 9.196 8.319 0.877 19849 3348 1 7 . 1 1 67 67 ALA N N 67 120.229 120.229 120.810 -0.581 19849 3349 1 7 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.410 0.014 19849 3350 1 7 . 1 1 67 67 ALA C C 67 173.834 173.834 174.853 -1.019 19849 3351 1 7 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.370 -0.221 19849 3352 1 7 . 1 1 67 67 ALA CB C 67 21.441 21.441 21.360 0.080 19849 3353 1 7 . 1 1 67 67 ALA H H 67 7.493 7.493 7.568 -0.075 19849 3354 1 7 . 1 1 68 68 LEU N N 68 124.546 124.546 124.997 -0.451 19849 3355 1 7 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.099 -0.105 19849 3356 1 7 . 1 1 68 68 LEU C C 68 175.157 175.157 175.792 -0.635 19849 3357 1 7 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.137 -0.946 19849 3358 1 7 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.005 -0.237 19849 3359 1 7 . 1 1 68 68 LEU H H 68 8.557 8.557 8.220 0.337 19849 3360 1 7 . 1 1 69 69 SER N N 69 122.077 122.077 122.302 -0.225 19849 3361 1 7 . 1 1 69 69 SER HA H 69 4.677 4.677 4.598 0.079 19849 3362 1 7 . 1 1 69 69 SER C C 69 173.548 173.548 173.517 0.031 19849 3363 1 7 . 1 1 69 69 SER CA C 69 55.803 55.803 58.016 -2.213 19849 3364 1 7 . 1 1 69 69 SER CB C 69 63.549 63.549 63.638 -0.089 19849 3365 1 7 . 1 1 69 69 SER H H 69 8.854 8.854 9.196 -0.342 19849 3366 1 7 . 1 1 70 70 ILE N N 70 129.143 129.143 129.265 -0.122 19849 3367 1 7 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.421 -0.315 19849 3368 1 7 . 1 1 70 70 ILE C C 70 175.059 175.059 175.210 -0.151 19849 3369 1 7 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.319 0.313 19849 3370 1 7 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.693 -1.266 19849 3371 1 7 . 1 1 70 70 ILE H H 70 8.922 8.922 8.680 0.242 19849 3372 1 7 . 1 1 71 71 LYS N N 71 130.019 130.019 126.799 3.220 19849 3373 1 7 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.108 -0.036 19849 3374 1 7 . 1 1 71 71 LYS C C 71 177.201 177.201 177.113 0.088 19849 3375 1 7 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.057 -0.119 19849 3376 1 7 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.781 0.645 19849 3377 1 7 . 1 1 71 71 LYS H H 71 8.676 8.676 8.040 0.636 19849 3378 1 7 . 1 1 72 72 LYS N N 72 113.659 113.659 119.687 -6.028 19849 3379 1 7 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.586 -0.111 19849 3380 1 7 . 1 1 72 72 LYS C C 72 174.013 174.013 174.151 -0.138 19849 3381 1 7 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.516 0.448 19849 3382 1 7 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.083 2.611 19849 3383 1 7 . 1 1 72 72 LYS H H 72 7.195 7.195 7.398 -0.203 19849 3384 1 7 . 1 1 73 73 ALA N N 73 129.019 129.019 128.721 0.298 19849 3385 1 7 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.534 0.668 19849 3386 1 7 . 1 1 73 73 ALA C C 73 175.410 175.410 175.479 -0.069 19849 3387 1 7 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.346 0.602 19849 3388 1 7 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.681 -1.994 19849 3389 1 7 . 1 1 73 73 ALA H H 73 8.847 8.847 8.741 0.106 19849 3390 1 7 . 1 1 74 74 GLN N N 74 120.993 120.993 123.590 -2.597 19849 3391 1 7 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.837 0.009 19849 3392 1 7 . 1 1 74 74 GLN C C 74 175.603 175.603 174.852 0.751 19849 3393 1 7 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.511 0.262 19849 3394 1 7 . 1 1 74 74 GLN CB C 74 34.955 34.955 33.745 1.210 19849 3395 1 7 . 1 1 74 74 GLN H H 74 8.398 8.398 8.288 0.110 19849 3396 1 7 . 1 1 75 75 THR N N 75 111.917 111.917 113.462 -1.545 19849 3397 1 7 . 1 1 75 75 THR HA H 75 4.866 4.866 4.841 0.025 19849 3398 1 7 . 1 1 75 75 THR CA C 75 59.600 59.600 58.648 0.952 19849 3399 1 7 . 1 1 75 75 THR H H 75 8.920 8.920 8.399 0.521 19849 3400 1 7 . 1 1 76 76 PRO C C 76 177.659 177.659 177.540 0.119 19849 3401 1 7 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.284 1.159 19849 3402 1 7 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.622 0.254 19849 3403 1 7 . 1 1 77 77 GLN N N 77 114.329 114.329 116.865 -2.536 19849 3404 1 7 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.251 -0.185 19849 3405 1 7 . 1 1 77 77 GLN C C 77 177.630 177.630 177.392 0.238 19849 3406 1 7 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.295 0.357 19849 3407 1 7 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.973 0.266 19849 3408 1 7 . 1 1 77 77 GLN H H 77 8.481 8.481 8.559 -0.078 19849 3409 1 7 . 1 1 78 78 GLN N N 78 116.831 116.831 117.557 -0.726 19849 3410 1 7 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.332 -0.239 19849 3411 1 7 . 1 1 78 78 GLN C C 78 176.403 176.403 177.175 -0.772 19849 3412 1 7 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.457 -0.164 19849 3413 1 7 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.631 1.343 19849 3414 1 7 . 1 1 78 78 GLN H H 78 7.503 7.503 7.943 -0.440 19849 3415 1 7 . 1 1 79 79 TRP N N 79 120.561 120.561 121.045 -0.484 19849 3416 1 7 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.502 -0.115 19849 3417 1 7 . 1 1 79 79 TRP C C 79 175.429 175.429 176.784 -1.355 19849 3418 1 7 . 1 1 79 79 TRP CA C 79 58.561 58.561 58.906 -0.345 19849 3419 1 7 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.698 1.216 19849 3420 1 7 . 1 1 79 79 TRP H H 79 7.668 7.668 8.445 -0.777 19849 3421 1 7 . 1 1 80 80 LYS N N 80 120.883 120.883 118.412 2.471 19849 3422 1 7 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.241 -0.041 19849 3423 1 7 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.063 -5.025 19849 3424 1 7 . 1 1 80 80 LYS H H 80 7.768 7.768 8.102 -0.334 19849 3425 1 7 . 1 1 82 82 PRO C C 82 176.919 176.919 175.847 1.072 19849 3426 1 7 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.523 0.417 19849 3427 1 7 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.669 -0.643 19849 3428 1 7 . 1 1 83 83 SER N N 83 115.592 115.592 119.840 -4.248 19849 3429 1 7 . 1 1 83 83 SER HA H 83 4.315 4.315 4.659 -0.344 19849 3430 1 7 . 1 1 83 83 SER C C 83 174.665 174.665 173.943 0.722 19849 3431 1 7 . 1 1 83 83 SER CA C 83 58.162 58.162 58.044 0.118 19849 3432 1 7 . 1 1 83 83 SER CB C 83 63.831 63.831 63.535 0.296 19849 3433 1 7 . 1 1 83 83 SER H H 83 8.264 8.264 8.466 -0.202 19849 3434 1 7 . 1 1 84 84 GLN N N 84 122.131 122.131 120.105 2.026 19849 3435 1 7 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.531 -0.242 19849 3436 1 7 . 1 1 84 84 GLN C C 84 175.598 175.598 175.876 -0.278 19849 3437 1 7 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.093 -0.242 19849 3438 1 7 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.304 0.315 19849 3439 1 7 . 1 1 84 84 GLN H H 84 8.430 8.430 8.145 0.285 19849 3440 1 7 . 1 1 85 85 ASP N N 85 121.550 121.550 118.976 2.574 19849 3441 1 7 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.543 -0.009 19849 3442 1 7 . 1 1 85 85 ASP C C 85 176.431 176.431 178.601 -2.170 19849 3443 1 7 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.419 -1.994 19849 3444 1 7 . 1 1 85 85 ASP CB C 85 41.270 41.270 39.739 1.531 19849 3445 1 7 . 1 1 85 85 ASP H H 85 8.307 8.307 8.735 -0.428 19849 3446 1 7 . 1 1 86 86 SER N N 86 116.617 116.617 118.195 -1.578 19849 3447 1 7 . 1 1 86 86 SER HA H 86 4.316 4.316 4.170 0.146 19849 3448 1 7 . 1 1 86 86 SER C C 86 174.590 174.590 175.382 -0.792 19849 3449 1 7 . 1 1 86 86 SER CA C 86 58.797 58.797 61.402 -2.605 19849 3450 1 7 . 1 1 86 86 SER CB C 86 63.667 63.667 62.638 1.029 19849 3451 1 7 . 1 1 86 86 SER H H 86 8.231 8.231 8.425 -0.194 19849 3452 1 7 . 1 1 87 87 ALA N N 87 125.663 125.663 119.880 5.783 19849 3453 1 7 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.563 -0.273 19849 3454 1 7 . 1 1 87 87 ALA C C 87 178.018 178.018 177.722 0.296 19849 3455 1 7 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.506 0.446 19849 3456 1 7 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.040 1.077 19849 3457 1 7 . 1 1 87 87 ALA H H 87 8.312 8.312 7.814 0.498 19849 3458 1 7 . 1 1 88 88 THR N N 88 112.987 112.987 114.864 -1.877 19849 3459 1 7 . 1 1 88 88 THR HA H 88 4.221 4.221 4.250 -0.029 19849 3460 1 7 . 1 1 88 88 THR C C 88 174.488 174.488 175.171 -0.683 19849 3461 1 7 . 1 1 88 88 THR CA C 88 62.115 62.115 65.789 -3.674 19849 3462 1 7 . 1 1 88 88 THR CB C 88 69.626 69.626 69.284 0.342 19849 3463 1 7 . 1 1 88 88 THR H H 88 7.997 7.997 7.579 0.418 19849 3464 1 7 . 1 1 89 89 LEU N N 89 124.655 124.655 118.681 5.974 19849 3465 1 7 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.702 -0.346 19849 3466 1 7 . 1 1 89 89 LEU C C 89 177.367 177.367 175.965 1.402 19849 3467 1 7 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.002 0.262 19849 3468 1 7 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.485 -0.993 19849 3469 1 7 . 1 1 89 89 LEU H H 89 8.119 8.119 7.468 0.651 19849 3470 1 7 . 1 1 90 90 THR N N 90 115.527 115.527 112.786 2.741 19849 3471 1 7 . 1 1 90 90 THR HA H 90 4.261 4.261 3.868 0.393 19849 3472 1 7 . 1 1 90 90 THR CA C 90 61.707 61.707 63.982 -2.275 19849 3473 1 7 . 1 1 90 90 THR CB C 90 69.825 69.825 67.228 2.597 19849 3474 1 7 . 1 1 90 90 THR H H 90 8.086 8.086 7.836 0.250 19849 3475 1 7 . 1 1 91 91 LYS N N 91 123.923 123.923 118.842 5.081 19849 3476 1 7 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.485 -0.192 19849 3477 1 7 . 1 1 91 91 LYS C C 91 175.949 175.949 176.022 -0.073 19849 3478 1 7 . 1 1 91 91 LYS CA C 91 56.164 56.164 55.889 0.275 19849 3479 1 7 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.749 -0.490 19849 3480 1 7 . 1 1 91 91 LYS H H 91 8.272 8.272 7.652 0.620 19849 3481 1 7 . 1 1 92 92 ASP N N 92 122.237 122.237 118.189 4.048 19849 3482 1 7 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.317 0.193 19849 3483 1 7 . 1 1 92 92 ASP C C 92 174.733 174.733 174.713 0.020 19849 3484 1 7 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.703 -0.168 19849 3485 1 7 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.166 0.945 19849 3486 1 7 . 1 1 92 92 ASP H H 92 8.340 8.340 8.080 0.260 19849 3487 1 8 . 1 1 2 2 VAL N N 2 120.462 120.462 125.123 -4.661 19849 3488 1 8 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.557 -0.049 19849 3489 1 8 . 1 1 2 2 VAL C C 2 174.797 174.797 173.716 1.081 19849 3490 1 8 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.357 -0.072 19849 3491 1 8 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.934 -2.113 19849 3492 1 8 . 1 1 2 2 VAL H H 2 8.729 8.729 8.426 0.303 19849 3493 1 8 . 1 1 3 3 THR N N 3 113.531 113.531 115.476 -1.945 19849 3494 1 8 . 1 1 3 3 THR HA H 3 4.794 4.794 4.776 0.018 19849 3495 1 8 . 1 1 3 3 THR C C 3 175.419 175.419 175.062 0.357 19849 3496 1 8 . 1 1 3 3 THR CA C 3 59.466 59.466 60.276 -0.810 19849 3497 1 8 . 1 1 3 3 THR H H 3 7.740 7.740 8.193 -0.453 19849 3498 1 8 . 1 1 4 4 LYS N N 4 121.981 121.981 121.309 0.672 19849 3499 1 8 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.453 -0.016 19849 3500 1 8 . 1 1 4 4 LYS C C 4 177.186 177.186 177.552 -0.366 19849 3501 1 8 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.561 1.155 19849 3502 1 8 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.564 1.646 19849 3503 1 8 . 1 1 4 4 LYS H H 4 9.168 9.168 8.829 0.339 19849 3504 1 8 . 1 1 5 5 GLU N N 5 117.723 117.723 118.072 -0.349 19849 3505 1 8 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.077 -0.025 19849 3506 1 8 . 1 1 5 5 GLU C C 5 179.351 179.351 178.818 0.533 19849 3507 1 8 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.400 1.108 19849 3508 1 8 . 1 1 5 5 GLU CB C 5 28.394 28.394 28.843 -0.449 19849 3509 1 8 . 1 1 5 5 GLU H H 5 8.835 8.835 8.733 0.102 19849 3510 1 8 . 1 1 6 6 GLN N N 6 122.133 122.133 117.757 4.376 19849 3511 1 8 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.191 -0.182 19849 3512 1 8 . 1 1 6 6 GLN C C 6 178.109 178.109 178.096 0.013 19849 3513 1 8 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.211 0.667 19849 3514 1 8 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.078 0.795 19849 3515 1 8 . 1 1 6 6 GLN H H 6 7.867 7.867 7.656 0.211 19849 3516 1 8 . 1 1 7 7 VAL N N 7 120.130 120.130 121.179 -1.049 19849 3517 1 8 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.593 -0.456 19849 3518 1 8 . 1 1 7 7 VAL C C 7 177.807 177.807 177.941 -0.134 19849 3519 1 8 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.006 0.507 19849 3520 1 8 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.509 0.731 19849 3521 1 8 . 1 1 7 7 VAL H H 7 7.447 7.447 7.303 0.144 19849 3522 1 8 . 1 1 8 8 GLU N N 8 117.342 117.342 120.072 -2.730 19849 3523 1 8 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.877 -0.307 19849 3524 1 8 . 1 1 8 8 GLU C C 8 174.166 174.166 178.620 -4.454 19849 3525 1 8 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.872 -0.173 19849 3526 1 8 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.943 0.901 19849 3527 1 8 . 1 1 8 8 GLU H H 8 8.529 8.529 8.331 0.198 19849 3528 1 8 . 1 1 9 9 ALA N N 9 124.344 124.344 120.483 3.861 19849 3529 1 8 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.133 0.287 19849 3530 1 8 . 1 1 9 9 ALA C C 9 177.996 177.996 179.163 -1.167 19849 3531 1 8 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.737 0.786 19849 3532 1 8 . 1 1 9 9 ALA H H 9 8.301 8.301 7.584 0.717 19849 3533 1 8 . 1 1 10 10 SER N N 10 117.198 117.198 115.562 1.636 19849 3534 1 8 . 1 1 10 10 SER HA H 10 4.374 4.374 4.289 0.085 19849 3535 1 8 . 1 1 10 10 SER C C 10 175.219 175.219 176.691 -1.472 19849 3536 1 8 . 1 1 10 10 SER CA C 10 62.207 62.207 61.456 0.751 19849 3537 1 8 . 1 1 10 10 SER H H 10 8.303 8.303 7.697 0.606 19849 3538 1 8 . 1 1 11 11 LEU N N 11 118.287 118.287 121.263 -2.976 19849 3539 1 8 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.147 -0.333 19849 3540 1 8 . 1 1 11 11 LEU C C 11 179.247 179.247 179.079 0.168 19849 3541 1 8 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.995 0.214 19849 3542 1 8 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.337 1.191 19849 3543 1 8 . 1 1 11 11 LEU H H 11 7.973 7.973 8.680 -0.707 19849 3544 1 8 . 1 1 12 12 THR N N 12 116.416 116.416 113.456 2.960 19849 3545 1 8 . 1 1 12 12 THR HA H 12 3.530 3.530 4.053 -0.523 19849 3546 1 8 . 1 1 12 12 THR C C 12 176.464 176.464 175.866 0.598 19849 3547 1 8 . 1 1 12 12 THR CA C 12 67.016 67.016 66.103 0.913 19849 3548 1 8 . 1 1 12 12 THR CB C 12 68.586 68.586 68.124 0.462 19849 3549 1 8 . 1 1 12 12 THR H H 12 8.440 8.440 7.687 0.753 19849 3550 1 8 . 1 1 13 13 SER N N 13 115.144 115.144 116.852 -1.708 19849 3551 1 8 . 1 1 13 13 SER HA H 13 4.105 4.105 4.411 -0.306 19849 3552 1 8 . 1 1 13 13 SER C C 13 176.285 176.285 175.343 0.942 19849 3553 1 8 . 1 1 13 13 SER CA C 13 61.032 61.032 61.007 0.025 19849 3554 1 8 . 1 1 13 13 SER CB C 13 63.045 63.045 63.502 -0.457 19849 3555 1 8 . 1 1 13 13 SER H H 13 8.022 8.022 7.526 0.496 19849 3556 1 8 . 1 1 14 14 LYS N N 14 116.028 116.028 120.902 -4.874 19849 3557 1 8 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.305 0.005 19849 3558 1 8 . 1 1 14 14 LYS C C 14 178.041 178.041 177.830 0.211 19849 3559 1 8 . 1 1 14 14 LYS CA C 14 57.842 57.842 57.674 0.168 19849 3560 1 8 . 1 1 14 14 LYS CB C 14 33.857 33.857 32.729 1.128 19849 3561 1 8 . 1 1 14 14 LYS H H 14 7.466 7.466 8.015 -0.549 19849 3562 1 8 . 1 1 15 15 LEU N N 15 114.405 114.405 116.834 -2.429 19849 3563 1 8 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.420 -0.001 19849 3564 1 8 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.294 0.630 19849 3565 1 8 . 1 1 15 15 LEU CB C 15 42.360 42.360 42.126 0.235 19849 3566 1 8 . 1 1 15 15 LEU H H 15 7.842 7.842 7.985 -0.143 19849 3567 1 8 . 1 1 16 16 LYS N N 16 116.513 116.513 116.849 -0.336 19849 3568 1 8 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.148 -0.028 19849 3569 1 8 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.518 -0.221 19849 3570 1 8 . 1 1 16 16 LYS H H 16 7.421 7.421 7.357 0.064 19849 3571 1 8 . 1 1 17 17 PRO C C 17 177.159 177.159 175.791 1.368 19849 3572 1 8 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.426 -0.531 19849 3573 1 8 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.621 2.686 19849 3574 1 8 . 1 1 18 18 ILE N N 18 116.671 116.671 120.435 -3.764 19849 3575 1 8 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.083 0.211 19849 3576 1 8 . 1 1 18 18 ILE C C 18 175.085 175.085 176.282 -1.197 19849 3577 1 8 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.416 -1.389 19849 3578 1 8 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.716 0.300 19849 3579 1 8 . 1 1 18 18 ILE H H 18 7.917 7.917 7.932 -0.015 19849 3580 1 8 . 1 1 19 19 HIS N N 19 117.574 117.574 119.172 -1.598 19849 3581 1 8 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.761 -0.319 19849 3582 1 8 . 1 1 19 19 HIS C C 19 171.727 171.727 173.070 -1.343 19849 3583 1 8 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.273 1.101 19849 3584 1 8 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.986 1.573 19849 3585 1 8 . 1 1 19 19 HIS H H 19 6.968 6.968 7.862 -0.894 19849 3586 1 8 . 1 1 20 20 LEU N N 20 128.803 128.803 127.372 1.431 19849 3587 1 8 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.350 -0.544 19849 3588 1 8 . 1 1 20 20 LEU C C 20 173.636 173.636 175.524 -1.888 19849 3589 1 8 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.945 -0.521 19849 3590 1 8 . 1 1 20 20 LEU CB C 20 45.564 45.564 45.048 0.516 19849 3591 1 8 . 1 1 20 20 LEU H H 20 7.928 7.928 8.326 -0.398 19849 3592 1 8 . 1 1 21 21 GLU N N 21 125.639 125.639 125.981 -0.342 19849 3593 1 8 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.591 -0.081 19849 3594 1 8 . 1 1 21 21 GLU C C 21 174.143 174.143 174.737 -0.594 19849 3595 1 8 . 1 1 21 21 GLU CA C 21 55.709 55.709 54.872 0.837 19849 3596 1 8 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.544 2.049 19849 3597 1 8 . 1 1 21 21 GLU H H 21 8.703 8.703 8.377 0.326 19849 3598 1 8 . 1 1 22 22 VAL N N 22 126.675 126.675 120.729 5.946 19849 3599 1 8 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.289 -0.672 19849 3600 1 8 . 1 1 22 22 VAL C C 22 173.843 173.843 174.247 -0.404 19849 3601 1 8 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.056 1.303 19849 3602 1 8 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.637 1.034 19849 3603 1 8 . 1 1 22 22 VAL H H 22 8.936 8.936 8.622 0.314 19849 3604 1 8 . 1 1 23 23 ILE N N 23 126.078 126.078 127.524 -1.446 19849 3605 1 8 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.446 0.027 19849 3606 1 8 . 1 1 23 23 ILE C C 23 175.007 175.007 174.747 0.260 19849 3607 1 8 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.825 -0.379 19849 3608 1 8 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.911 2.326 19849 3609 1 8 . 1 1 23 23 ILE H H 23 9.099 9.099 8.510 0.589 19849 3610 1 8 . 1 1 24 24 ASP N N 24 127.026 127.026 129.237 -2.211 19849 3611 1 8 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.825 -0.215 19849 3612 1 8 . 1 1 24 24 ASP C C 24 176.888 176.888 176.783 0.105 19849 3613 1 8 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.524 -1.660 19849 3614 1 8 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.253 -0.221 19849 3615 1 8 . 1 1 24 24 ASP H H 24 9.152 9.152 8.921 0.231 19849 3616 1 8 . 1 1 25 25 ILE N N 25 123.148 123.148 122.727 0.421 19849 3617 1 8 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.576 0.016 19849 3618 1 8 . 1 1 25 25 ILE C C 25 175.765 175.765 175.478 0.287 19849 3619 1 8 . 1 1 25 25 ILE CA C 25 61.112 61.112 60.319 0.793 19849 3620 1 8 . 1 1 25 25 ILE CB C 25 36.913 36.913 37.987 -1.074 19849 3621 1 8 . 1 1 25 25 ILE H H 25 7.915 7.915 7.989 -0.074 19849 3622 1 8 . 1 1 26 26 SER N N 26 119.373 119.373 115.325 4.048 19849 3623 1 8 . 1 1 26 26 SER HA H 26 4.520 4.520 4.737 -0.217 19849 3624 1 8 . 1 1 26 26 SER C C 26 175.488 175.488 174.842 0.646 19849 3625 1 8 . 1 1 26 26 SER CA C 26 58.030 58.030 58.350 -0.320 19849 3626 1 8 . 1 1 26 26 SER CB C 26 64.605 64.605 65.120 -0.515 19849 3627 1 8 . 1 1 26 26 SER H H 26 9.175 9.175 8.738 0.437 19849 3628 1 8 . 1 1 27 27 GLY N N 27 111.902 111.902 109.753 2.149 19849 3629 1 8 . 1 1 27 27 GLY C C 27 175.418 175.418 172.839 2.579 19849 3630 1 8 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.448 0.987 19849 3631 1 8 . 1 1 27 27 GLY H H 27 8.417 8.417 7.772 0.645 19849 3632 1 8 . 1 1 28 28 GLY N N 28 106.936 106.936 108.493 -1.557 19849 3633 1 8 . 1 1 28 28 GLY C C 28 177.627 177.627 174.727 2.900 19849 3634 1 8 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.751 -0.123 19849 3635 1 8 . 1 1 28 28 GLY H H 28 7.864 7.864 8.378 -0.514 19849 3636 1 8 . 1 1 29 29 CYS N N 29 116.829 116.829 118.886 -2.057 19849 3637 1 8 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.626 -0.263 19849 3638 1 8 . 1 1 29 29 CYS CA C 29 59.440 59.440 60.180 -0.740 19849 3639 1 8 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.563 -0.705 19849 3640 1 8 . 1 1 29 29 CYS H H 29 7.380 7.380 8.030 -0.650 19849 3641 1 8 . 1 1 30 30 GLY N N 30 111.626 111.626 108.491 3.135 19849 3642 1 8 . 1 1 30 30 GLY C C 30 173.383 173.383 174.448 -1.065 19849 3643 1 8 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.935 1.151 19849 3644 1 8 . 1 1 30 30 GLY H H 30 8.965 8.965 8.148 0.817 19849 3645 1 8 . 1 1 31 31 SER N N 31 111.735 111.735 117.676 -5.941 19849 3646 1 8 . 1 1 31 31 SER HA H 31 4.639 4.639 3.870 0.769 19849 3647 1 8 . 1 1 31 31 SER C C 31 174.246 174.246 173.516 0.730 19849 3648 1 8 . 1 1 31 31 SER CA C 31 58.203 58.203 59.356 -1.153 19849 3649 1 8 . 1 1 31 31 SER CB C 31 64.459 64.459 63.042 1.417 19849 3650 1 8 . 1 1 31 31 SER H H 31 8.220 8.220 7.715 0.505 19849 3651 1 8 . 1 1 32 32 SER N N 32 116.259 116.259 121.789 -5.530 19849 3652 1 8 . 1 1 32 32 SER HA H 32 5.346 5.346 4.880 0.466 19849 3653 1 8 . 1 1 32 32 SER C C 32 176.363 176.363 171.972 4.391 19849 3654 1 8 . 1 1 32 32 SER CA C 32 57.400 57.400 57.599 -0.199 19849 3655 1 8 . 1 1 32 32 SER CB C 32 62.866 62.866 64.655 -1.789 19849 3656 1 8 . 1 1 32 32 SER H H 32 7.253 7.253 8.182 -0.929 19849 3657 1 8 . 1 1 33 33 PHE N N 33 118.533 118.533 124.926 -6.393 19849 3658 1 8 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.831 0.825 19849 3659 1 8 . 1 1 33 33 PHE C C 33 174.163 174.163 175.020 -0.857 19849 3660 1 8 . 1 1 33 33 PHE CA C 33 56.382 56.382 55.666 0.716 19849 3661 1 8 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.847 2.603 19849 3662 1 8 . 1 1 33 33 PHE H H 33 7.995 7.995 9.102 -1.107 19849 3663 1 8 . 1 1 34 34 GLU N N 34 122.301 122.301 123.701 -1.400 19849 3664 1 8 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.802 0.758 19849 3665 1 8 . 1 1 34 34 GLU C C 34 175.902 175.902 175.517 0.385 19849 3666 1 8 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.133 -0.757 19849 3667 1 8 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.482 4.061 19849 3668 1 8 . 1 1 34 34 GLU H H 34 9.436 9.436 8.631 0.805 19849 3669 1 8 . 1 1 35 35 VAL N N 35 118.350 118.350 126.432 -8.082 19849 3670 1 8 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.597 0.772 19849 3671 1 8 . 1 1 35 35 VAL C C 35 174.616 174.616 174.475 0.141 19849 3672 1 8 . 1 1 35 35 VAL CA C 35 59.364 59.364 60.133 -0.769 19849 3673 1 8 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.060 2.118 19849 3674 1 8 . 1 1 35 35 VAL H H 35 8.784 8.784 8.682 0.102 19849 3675 1 8 . 1 1 36 36 GLU N N 36 123.537 123.537 129.154 -5.617 19849 3676 1 8 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.742 0.227 19849 3677 1 8 . 1 1 36 36 GLU C C 36 174.745 174.745 175.265 -0.520 19849 3678 1 8 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.221 0.970 19849 3679 1 8 . 1 1 36 36 GLU CB C 36 33.086 33.086 30.367 2.719 19849 3680 1 8 . 1 1 36 36 GLU H H 36 8.859 8.859 8.604 0.255 19849 3681 1 8 . 1 1 37 37 VAL N N 37 120.272 120.272 126.545 -6.273 19849 3682 1 8 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.105 -0.493 19849 3683 1 8 . 1 1 37 37 VAL C C 37 172.679 172.679 174.989 -2.310 19849 3684 1 8 . 1 1 37 37 VAL CA C 37 60.290 60.290 61.043 -0.753 19849 3685 1 8 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.592 0.430 19849 3686 1 8 . 1 1 37 37 VAL H H 37 8.497 8.497 9.044 -0.547 19849 3687 1 8 . 1 1 38 38 VAL N N 38 127.971 127.971 127.979 -0.008 19849 3688 1 8 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.178 0.079 19849 3689 1 8 . 1 1 38 38 VAL C C 38 175.842 175.842 174.710 1.132 19849 3690 1 8 . 1 1 38 38 VAL CA C 38 59.474 59.474 61.036 -1.562 19849 3691 1 8 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.088 1.027 19849 3692 1 8 . 1 1 38 38 VAL H H 38 8.169 8.169 8.714 -0.545 19849 3693 1 8 . 1 1 39 39 SER N N 39 117.426 117.426 119.643 -2.217 19849 3694 1 8 . 1 1 39 39 SER HA H 39 4.821 4.821 4.694 0.127 19849 3695 1 8 . 1 1 39 39 SER C C 39 175.323 175.323 174.204 1.119 19849 3696 1 8 . 1 1 39 39 SER CA C 39 55.888 55.888 55.732 0.156 19849 3697 1 8 . 1 1 39 39 SER CB C 39 64.183 64.183 65.339 -1.156 19849 3698 1 8 . 1 1 39 39 SER H H 39 8.304 8.304 7.947 0.357 19849 3699 1 8 . 1 1 40 40 GLU N N 40 131.571 131.571 122.767 8.804 19849 3700 1 8 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.010 0.109 19849 3701 1 8 . 1 1 40 40 GLU C C 40 177.887 177.887 177.100 0.787 19849 3702 1 8 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.636 0.045 19849 3703 1 8 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.104 0.526 19849 3704 1 8 . 1 1 40 40 GLU H H 40 9.911 9.911 9.000 0.911 19849 3705 1 8 . 1 1 41 41 GLN N N 41 117.534 117.534 117.538 -0.004 19849 3706 1 8 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.158 -0.174 19849 3707 1 8 . 1 1 41 41 GLN C C 41 176.391 176.391 175.565 0.826 19849 3708 1 8 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.150 0.293 19849 3709 1 8 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.904 -0.001 19849 3710 1 8 . 1 1 41 41 GLN H H 41 8.219 8.219 7.881 0.338 19849 3711 1 8 . 1 1 42 42 PHE N N 42 113.224 113.224 116.121 -2.897 19849 3712 1 8 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.748 -0.222 19849 3713 1 8 . 1 1 42 42 PHE C C 42 175.064 175.064 174.972 0.092 19849 3714 1 8 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.394 -0.255 19849 3715 1 8 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.895 -1.260 19849 3716 1 8 . 1 1 42 42 PHE H H 42 6.894 6.894 7.735 -0.841 19849 3717 1 8 . 1 1 43 43 GLU N N 43 121.136 121.136 121.730 -0.594 19849 3718 1 8 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.347 -0.380 19849 3719 1 8 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.275 2.086 19849 3720 1 8 . 1 1 43 43 GLU CB C 43 29.234 29.234 29.201 0.033 19849 3721 1 8 . 1 1 43 43 GLU H H 43 7.469 7.469 7.536 -0.067 19849 3722 1 8 . 1 1 44 44 GLY N N 44 114.819 114.819 117.426 -2.607 19849 3723 1 8 . 1 1 44 44 GLY C C 44 174.101 174.101 174.303 -0.202 19849 3724 1 8 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.147 -0.522 19849 3725 1 8 . 1 1 44 44 GLY H H 44 9.014 9.014 8.788 0.226 19849 3726 1 8 . 1 1 45 45 LYS N N 45 118.678 118.678 120.192 -1.514 19849 3727 1 8 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.571 0.118 19849 3728 1 8 . 1 1 45 45 LYS C C 45 177.858 177.858 176.007 1.851 19849 3729 1 8 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.714 -1.153 19849 3730 1 8 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.158 -0.717 19849 3731 1 8 . 1 1 45 45 LYS H H 45 7.932 7.932 7.389 0.543 19849 3732 1 8 . 1 1 46 46 ARG N N 46 125.430 125.430 120.655 4.775 19849 3733 1 8 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.475 -0.182 19849 3734 1 8 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.721 1.058 19849 3735 1 8 . 1 1 46 46 ARG H H 46 9.288 9.288 8.532 0.756 19849 3736 1 8 . 1 1 47 47 LEU N N 47 124.205 124.205 124.113 0.092 19849 3737 1 8 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.553 0.149 19849 3738 1 8 . 1 1 47 47 LEU C C 47 178.476 178.476 178.496 -0.020 19849 3739 1 8 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.528 2.161 19849 3740 1 8 . 1 1 47 47 LEU H H 47 8.320 8.320 8.866 -0.546 19849 3741 1 8 . 1 1 48 48 LEU N N 48 115.874 115.874 117.732 -1.858 19849 3742 1 8 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.057 -0.285 19849 3743 1 8 . 1 1 48 48 LEU C C 48 179.985 179.985 179.251 0.734 19849 3744 1 8 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.932 0.691 19849 3745 1 8 . 1 1 48 48 LEU H H 48 8.587 8.587 8.044 0.543 19849 3746 1 8 . 1 1 49 49 GLU N N 49 118.216 118.216 118.783 -0.567 19849 3747 1 8 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.019 0.089 19849 3748 1 8 . 1 1 49 49 GLU C C 49 177.944 177.944 179.496 -1.552 19849 3749 1 8 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.185 -0.768 19849 3750 1 8 . 1 1 49 49 GLU H H 49 6.964 6.964 8.018 -1.054 19849 3751 1 8 . 1 1 50 50 ARG N N 50 119.674 119.674 119.520 0.154 19849 3752 1 8 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.264 -0.347 19849 3753 1 8 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.630 -0.556 19849 3754 1 8 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.041 -1.030 19849 3755 1 8 . 1 1 50 50 ARG H H 50 7.991 7.991 8.418 -0.427 19849 3756 1 8 . 1 1 51 51 HIS N N 51 117.056 117.056 118.216 -1.160 19849 3757 1 8 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.366 -0.370 19849 3758 1 8 . 1 1 51 51 HIS C C 51 176.638 176.638 177.833 -1.195 19849 3759 1 8 . 1 1 51 51 HIS H H 51 8.294 8.294 8.173 0.121 19849 3760 1 8 . 1 1 52 52 ARG N N 52 120.626 120.626 120.058 0.568 19849 3761 1 8 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.128 0.090 19849 3762 1 8 . 1 1 52 52 ARG C C 52 179.014 179.014 177.643 1.371 19849 3763 1 8 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.620 1.371 19849 3764 1 8 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.126 -0.567 19849 3765 1 8 . 1 1 52 52 ARG H H 52 8.001 8.001 8.521 -0.520 19849 3766 1 8 . 1 1 53 53 MET N N 53 119.087 119.087 117.720 1.367 19849 3767 1 8 . 1 1 53 53 MET HA H 53 4.006 4.006 4.499 -0.493 19849 3768 1 8 . 1 1 53 53 MET C C 53 179.286 179.286 178.114 1.172 19849 3769 1 8 . 1 1 53 53 MET CA C 53 59.404 59.404 57.178 2.226 19849 3770 1 8 . 1 1 53 53 MET CB C 53 34.976 34.976 32.998 1.978 19849 3771 1 8 . 1 1 53 53 MET H H 53 8.162 8.162 7.659 0.503 19849 3772 1 8 . 1 1 54 54 VAL N N 54 120.886 120.886 120.072 0.814 19849 3773 1 8 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.735 -0.310 19849 3774 1 8 . 1 1 54 54 VAL C C 54 176.296 176.296 177.753 -1.457 19849 3775 1 8 . 1 1 54 54 VAL CA C 54 66.833 66.833 65.965 0.868 19849 3776 1 8 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.002 -0.558 19849 3777 1 8 . 1 1 54 54 VAL H H 54 7.790 7.790 8.193 -0.403 19849 3778 1 8 . 1 1 55 55 ASN N N 55 116.881 116.881 117.606 -0.725 19849 3779 1 8 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.504 -0.491 19849 3780 1 8 . 1 1 55 55 ASN C C 55 178.422 178.422 176.607 1.815 19849 3781 1 8 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.256 1.873 19849 3782 1 8 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.422 0.445 19849 3783 1 8 . 1 1 55 55 ASN H H 55 8.032 8.032 8.385 -0.353 19849 3784 1 8 . 1 1 56 56 ALA N N 56 121.164 121.164 122.122 -0.958 19849 3785 1 8 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.157 -0.074 19849 3786 1 8 . 1 1 56 56 ALA C C 56 180.700 180.700 178.733 1.967 19849 3787 1 8 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.416 0.184 19849 3788 1 8 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.348 -0.086 19849 3789 1 8 . 1 1 56 56 ALA H H 56 8.578 8.578 7.764 0.814 19849 3790 1 8 . 1 1 57 57 ALA N N 57 121.156 121.156 119.225 1.931 19849 3791 1 8 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.433 -0.401 19849 3792 1 8 . 1 1 57 57 ALA C C 57 177.240 177.240 177.304 -0.064 19849 3793 1 8 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.901 0.186 19849 3794 1 8 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.392 -0.930 19849 3795 1 8 . 1 1 57 57 ALA H H 57 7.609 7.609 7.588 0.021 19849 3796 1 8 . 1 1 58 58 LEU N N 58 116.065 116.065 116.572 -0.507 19849 3797 1 8 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.990 -0.095 19849 3798 1 8 . 1 1 58 58 LEU C C 58 176.446 176.446 177.702 -1.256 19849 3799 1 8 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.715 -2.194 19849 3800 1 8 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.030 0.723 19849 3801 1 8 . 1 1 58 58 LEU H H 58 6.995 6.995 7.462 -0.467 19849 3802 1 8 . 1 1 59 59 GLU N N 59 120.288 120.288 122.042 -1.754 19849 3803 1 8 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.960 -0.186 19849 3804 1 8 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.330 0.406 19849 3805 1 8 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.616 0.390 19849 3806 1 8 . 1 1 59 59 GLU H H 59 7.034 7.034 7.943 -0.909 19849 3807 1 8 . 1 1 60 60 GLU N N 60 116.322 116.322 117.819 -1.497 19849 3808 1 8 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.098 -0.068 19849 3809 1 8 . 1 1 60 60 GLU C C 60 179.270 179.270 178.670 0.600 19849 3810 1 8 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.137 -0.444 19849 3811 1 8 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.183 1.133 19849 3812 1 8 . 1 1 60 60 GLU H H 60 8.622 8.622 8.684 -0.062 19849 3813 1 8 . 1 1 61 61 GLU N N 61 121.506 121.506 120.276 1.230 19849 3814 1 8 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.130 -0.240 19849 3815 1 8 . 1 1 61 61 GLU C C 61 179.010 179.010 178.293 0.717 19849 3816 1 8 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.164 1.798 19849 3817 1 8 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.023 -0.548 19849 3818 1 8 . 1 1 61 61 GLU H H 61 8.946 8.946 8.213 0.733 19849 3819 1 8 . 1 1 62 62 MET N N 62 116.213 116.213 117.027 -0.814 19849 3820 1 8 . 1 1 62 62 MET HA H 62 4.312 4.312 4.129 0.183 19849 3821 1 8 . 1 1 62 62 MET CA C 62 56.302 56.302 58.976 -2.674 19849 3822 1 8 . 1 1 62 62 MET CB C 62 30.553 30.553 32.642 -2.089 19849 3823 1 8 . 1 1 62 62 MET H H 62 8.693 8.693 8.082 0.611 19849 3824 1 8 . 1 1 63 63 LYS N N 63 116.969 116.969 116.118 0.851 19849 3825 1 8 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.149 -0.064 19849 3826 1 8 . 1 1 63 63 LYS C C 63 177.541 177.541 177.873 -0.332 19849 3827 1 8 . 1 1 63 63 LYS CA C 63 58.728 58.728 58.110 0.618 19849 3828 1 8 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.364 0.161 19849 3829 1 8 . 1 1 63 63 LYS H H 63 7.470 7.470 7.511 -0.041 19849 3830 1 8 . 1 1 64 64 GLU N N 64 115.556 115.556 118.254 -2.698 19849 3831 1 8 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.318 0.147 19849 3832 1 8 . 1 1 64 64 GLU C C 64 175.679 175.679 176.626 -0.947 19849 3833 1 8 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.980 -1.377 19849 3834 1 8 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.178 1.092 19849 3835 1 8 . 1 1 64 64 GLU H H 64 7.773 7.773 7.674 0.099 19849 3836 1 8 . 1 1 65 65 ILE N N 65 120.461 120.461 113.984 6.477 19849 3837 1 8 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.117 -0.038 19849 3838 1 8 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.212 2.496 19849 3839 1 8 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.375 -0.293 19849 3840 1 8 . 1 1 65 65 ILE H H 65 7.502 7.502 7.486 0.016 19849 3841 1 8 . 1 1 66 66 HIS N N 66 125.683 125.683 116.935 8.748 19849 3842 1 8 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.731 -0.186 19849 3843 1 8 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.777 1.906 19849 3844 1 8 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.388 -1.111 19849 3845 1 8 . 1 1 66 66 HIS H H 66 9.196 9.196 7.856 1.340 19849 3846 1 8 . 1 1 67 67 ALA N N 67 120.229 120.229 120.362 -0.133 19849 3847 1 8 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.438 -0.014 19849 3848 1 8 . 1 1 67 67 ALA C C 67 173.834 173.834 174.626 -0.792 19849 3849 1 8 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.133 0.016 19849 3850 1 8 . 1 1 67 67 ALA CB C 67 21.441 21.441 21.091 0.350 19849 3851 1 8 . 1 1 67 67 ALA H H 67 7.493 7.493 7.779 -0.286 19849 3852 1 8 . 1 1 68 68 LEU N N 68 124.546 124.546 124.552 -0.006 19849 3853 1 8 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.330 -0.336 19849 3854 1 8 . 1 1 68 68 LEU C C 68 175.157 175.157 176.345 -1.188 19849 3855 1 8 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.035 -0.844 19849 3856 1 8 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.776 -0.008 19849 3857 1 8 . 1 1 68 68 LEU H H 68 8.557 8.557 8.882 -0.325 19849 3858 1 8 . 1 1 69 69 SER N N 69 122.077 122.077 123.032 -0.955 19849 3859 1 8 . 1 1 69 69 SER HA H 69 4.677 4.677 4.567 0.110 19849 3860 1 8 . 1 1 69 69 SER C C 69 173.548 173.548 173.534 0.014 19849 3861 1 8 . 1 1 69 69 SER CA C 69 55.803 55.803 58.202 -2.399 19849 3862 1 8 . 1 1 69 69 SER CB C 69 63.549 63.549 63.252 0.297 19849 3863 1 8 . 1 1 69 69 SER H H 69 8.854 8.854 9.202 -0.348 19849 3864 1 8 . 1 1 70 70 ILE N N 70 129.143 129.143 128.828 0.315 19849 3865 1 8 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.440 -0.334 19849 3866 1 8 . 1 1 70 70 ILE C C 70 175.059 175.059 175.149 -0.090 19849 3867 1 8 . 1 1 70 70 ILE CA C 70 60.633 60.633 59.130 1.503 19849 3868 1 8 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.469 -1.042 19849 3869 1 8 . 1 1 70 70 ILE H H 70 8.922 8.922 7.929 0.993 19849 3870 1 8 . 1 1 71 71 LYS N N 71 130.019 130.019 126.515 3.504 19849 3871 1 8 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.183 -0.111 19849 3872 1 8 . 1 1 71 71 LYS C C 71 177.201 177.201 177.084 0.117 19849 3873 1 8 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.560 0.378 19849 3874 1 8 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.681 0.745 19849 3875 1 8 . 1 1 71 71 LYS H H 71 8.676 8.676 8.011 0.665 19849 3876 1 8 . 1 1 72 72 LYS N N 72 113.659 113.659 119.788 -6.129 19849 3877 1 8 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.558 -0.083 19849 3878 1 8 . 1 1 72 72 LYS C C 72 174.013 174.013 173.888 0.125 19849 3879 1 8 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.630 0.334 19849 3880 1 8 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.992 2.702 19849 3881 1 8 . 1 1 72 72 LYS H H 72 7.195 7.195 7.436 -0.241 19849 3882 1 8 . 1 1 73 73 ALA N N 73 129.019 129.019 129.328 -0.309 19849 3883 1 8 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.739 0.463 19849 3884 1 8 . 1 1 73 73 ALA C C 73 175.410 175.410 175.539 -0.129 19849 3885 1 8 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.107 0.841 19849 3886 1 8 . 1 1 73 73 ALA CB C 73 17.688 17.688 20.120 -2.432 19849 3887 1 8 . 1 1 73 73 ALA H H 73 8.847 8.847 8.663 0.184 19849 3888 1 8 . 1 1 74 74 GLN N N 74 120.993 120.993 122.952 -1.959 19849 3889 1 8 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.884 -0.038 19849 3890 1 8 . 1 1 74 74 GLN C C 74 175.603 175.603 174.736 0.867 19849 3891 1 8 . 1 1 74 74 GLN CA C 74 54.773 54.773 53.709 1.064 19849 3892 1 8 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.316 0.639 19849 3893 1 8 . 1 1 74 74 GLN H H 74 8.398 8.398 8.265 0.133 19849 3894 1 8 . 1 1 75 75 THR N N 75 111.917 111.917 112.889 -0.972 19849 3895 1 8 . 1 1 75 75 THR HA H 75 4.866 4.866 4.904 -0.038 19849 3896 1 8 . 1 1 75 75 THR CA C 75 59.600 59.600 58.103 1.497 19849 3897 1 8 . 1 1 75 75 THR H H 75 8.920 8.920 8.600 0.320 19849 3898 1 8 . 1 1 76 76 PRO C C 76 177.659 177.659 177.655 0.004 19849 3899 1 8 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.343 1.100 19849 3900 1 8 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.722 0.154 19849 3901 1 8 . 1 1 77 77 GLN N N 77 114.329 114.329 116.402 -2.073 19849 3902 1 8 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.190 -0.124 19849 3903 1 8 . 1 1 77 77 GLN C C 77 177.630 177.630 177.338 0.292 19849 3904 1 8 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.648 0.004 19849 3905 1 8 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.947 0.291 19849 3906 1 8 . 1 1 77 77 GLN H H 77 8.481 8.481 8.586 -0.105 19849 3907 1 8 . 1 1 78 78 GLN N N 78 116.831 116.831 118.190 -1.359 19849 3908 1 8 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.448 -0.355 19849 3909 1 8 . 1 1 78 78 GLN C C 78 176.403 176.403 178.059 -1.656 19849 3910 1 8 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.785 -0.492 19849 3911 1 8 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.351 1.623 19849 3912 1 8 . 1 1 78 78 GLN H H 78 7.503 7.503 7.972 -0.469 19849 3913 1 8 . 1 1 79 79 TRP N N 79 120.561 120.561 121.475 -0.914 19849 3914 1 8 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.329 0.058 19849 3915 1 8 . 1 1 79 79 TRP C C 79 175.429 175.429 176.489 -1.060 19849 3916 1 8 . 1 1 79 79 TRP CA C 79 58.561 58.561 61.206 -2.645 19849 3917 1 8 . 1 1 79 79 TRP CB C 79 30.914 30.914 30.087 0.827 19849 3918 1 8 . 1 1 79 79 TRP H H 79 7.668 7.668 8.765 -1.097 19849 3919 1 8 . 1 1 80 80 LYS N N 80 120.883 120.883 114.400 6.483 19849 3920 1 8 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.147 0.053 19849 3921 1 8 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.202 -4.164 19849 3922 1 8 . 1 1 80 80 LYS H H 80 7.768 7.768 7.576 0.192 19849 3923 1 8 . 1 1 82 82 PRO C C 82 176.919 176.919 176.613 0.306 19849 3924 1 8 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.840 0.100 19849 3925 1 8 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.311 -0.285 19849 3926 1 8 . 1 1 83 83 SER N N 83 115.592 115.592 116.694 -1.102 19849 3927 1 8 . 1 1 83 83 SER HA H 83 4.315 4.315 4.480 -0.165 19849 3928 1 8 . 1 1 83 83 SER C C 83 174.665 174.665 174.795 -0.130 19849 3929 1 8 . 1 1 83 83 SER CA C 83 58.162 58.162 58.709 -0.547 19849 3930 1 8 . 1 1 83 83 SER CB C 83 63.831 63.831 63.125 0.706 19849 3931 1 8 . 1 1 83 83 SER H H 83 8.264 8.264 8.334 -0.070 19849 3932 1 8 . 1 1 84 84 GLN N N 84 122.131 122.131 120.587 1.544 19849 3933 1 8 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.312 -0.023 19849 3934 1 8 . 1 1 84 84 GLN C C 84 175.598 175.598 176.744 -1.146 19849 3935 1 8 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.324 -1.473 19849 3936 1 8 . 1 1 84 84 GLN CB C 84 29.619 29.619 28.902 0.717 19849 3937 1 8 . 1 1 84 84 GLN H H 84 8.430 8.430 8.435 -0.005 19849 3938 1 8 . 1 1 85 85 ASP N N 85 121.550 121.550 119.618 1.932 19849 3939 1 8 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.600 -0.066 19849 3940 1 8 . 1 1 85 85 ASP C C 85 176.431 176.431 177.047 -0.616 19849 3941 1 8 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.311 -0.887 19849 3942 1 8 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.843 0.427 19849 3943 1 8 . 1 1 85 85 ASP H H 85 8.307 8.307 8.419 -0.112 19849 3944 1 8 . 1 1 86 86 SER N N 86 116.617 116.617 113.971 2.646 19849 3945 1 8 . 1 1 86 86 SER HA H 86 4.316 4.316 4.462 -0.146 19849 3946 1 8 . 1 1 86 86 SER C C 86 174.590 174.590 174.968 -0.378 19849 3947 1 8 . 1 1 86 86 SER CA C 86 58.797 58.797 59.138 -0.341 19849 3948 1 8 . 1 1 86 86 SER CB C 86 63.667 63.667 63.984 -0.317 19849 3949 1 8 . 1 1 86 86 SER H H 86 8.231 8.231 7.596 0.635 19849 3950 1 8 . 1 1 87 87 ALA N N 87 125.663 125.663 123.325 2.338 19849 3951 1 8 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.585 -0.295 19849 3952 1 8 . 1 1 87 87 ALA C C 87 178.018 178.018 177.663 0.355 19849 3953 1 8 . 1 1 87 87 ALA CA C 87 52.952 52.952 51.910 1.042 19849 3954 1 8 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.391 0.726 19849 3955 1 8 . 1 1 87 87 ALA H H 87 8.312 8.312 7.952 0.360 19849 3956 1 8 . 1 1 88 88 THR N N 88 112.987 112.987 114.630 -1.643 19849 3957 1 8 . 1 1 88 88 THR HA H 88 4.221 4.221 4.141 0.080 19849 3958 1 8 . 1 1 88 88 THR C C 88 174.488 174.488 175.003 -0.515 19849 3959 1 8 . 1 1 88 88 THR CA C 88 62.115 62.115 65.531 -3.416 19849 3960 1 8 . 1 1 88 88 THR CB C 88 69.626 69.626 68.450 1.176 19849 3961 1 8 . 1 1 88 88 THR H H 88 7.997 7.997 8.316 -0.319 19849 3962 1 8 . 1 1 89 89 LEU N N 89 124.655 124.655 117.083 7.572 19849 3963 1 8 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.676 -0.320 19849 3964 1 8 . 1 1 89 89 LEU C C 89 177.367 177.367 177.295 0.072 19849 3965 1 8 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.019 0.244 19849 3966 1 8 . 1 1 89 89 LEU CB C 89 42.492 42.492 42.156 0.336 19849 3967 1 8 . 1 1 89 89 LEU H H 89 8.119 8.119 7.861 0.258 19849 3968 1 8 . 1 1 90 90 THR N N 90 115.527 115.527 113.911 1.616 19849 3969 1 8 . 1 1 90 90 THR HA H 90 4.261 4.261 4.422 -0.161 19849 3970 1 8 . 1 1 90 90 THR CA C 90 61.707 61.707 63.506 -1.799 19849 3971 1 8 . 1 1 90 90 THR CB C 90 69.825 69.825 69.324 0.501 19849 3972 1 8 . 1 1 90 90 THR H H 90 8.086 8.086 8.549 -0.463 19849 3973 1 8 . 1 1 91 91 LYS N N 91 123.923 123.923 117.822 6.101 19849 3974 1 8 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.464 -0.171 19849 3975 1 8 . 1 1 91 91 LYS C C 91 175.949 175.949 175.611 0.338 19849 3976 1 8 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.663 -0.499 19849 3977 1 8 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.247 1.012 19849 3978 1 8 . 1 1 91 91 LYS H H 91 8.272 8.272 7.689 0.583 19849 3979 1 8 . 1 1 92 92 ASP N N 92 122.237 122.237 121.075 1.162 19849 3980 1 8 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.702 -0.192 19849 3981 1 8 . 1 1 92 92 ASP C C 92 174.733 174.733 175.974 -1.241 19849 3982 1 8 . 1 1 92 92 ASP CA C 92 54.535 54.535 55.509 -0.974 19849 3983 1 8 . 1 1 92 92 ASP CB C 92 41.111 41.111 42.444 -1.333 19849 3984 1 8 . 1 1 92 92 ASP H H 92 8.340 8.340 7.791 0.549 19849 3985 1 9 . 1 1 2 2 VAL N N 2 120.462 120.462 121.775 -1.313 19849 3986 1 9 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.505 0.003 19849 3987 1 9 . 1 1 2 2 VAL C C 2 174.797 174.797 173.992 0.805 19849 3988 1 9 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.354 -0.069 19849 3989 1 9 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.807 -0.986 19849 3990 1 9 . 1 1 2 2 VAL H H 2 8.729 8.729 8.587 0.142 19849 3991 1 9 . 1 1 3 3 THR N N 3 113.531 113.531 115.658 -2.127 19849 3992 1 9 . 1 1 3 3 THR HA H 3 4.794 4.794 4.843 -0.049 19849 3993 1 9 . 1 1 3 3 THR C C 3 175.419 175.419 174.675 0.744 19849 3994 1 9 . 1 1 3 3 THR CA C 3 59.466 59.466 60.330 -0.864 19849 3995 1 9 . 1 1 3 3 THR H H 3 7.740 7.740 8.186 -0.446 19849 3996 1 9 . 1 1 4 4 LYS N N 4 121.981 121.981 122.581 -0.600 19849 3997 1 9 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.835 -0.398 19849 3998 1 9 . 1 1 4 4 LYS C C 4 177.186 177.186 177.950 -0.764 19849 3999 1 9 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.747 0.969 19849 4000 1 9 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.312 0.898 19849 4001 1 9 . 1 1 4 4 LYS H H 4 9.168 9.168 8.983 0.185 19849 4002 1 9 . 1 1 5 5 GLU N N 5 117.723 117.723 117.835 -0.112 19849 4003 1 9 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.068 -0.016 19849 4004 1 9 . 1 1 5 5 GLU C C 5 179.351 179.351 178.544 0.807 19849 4005 1 9 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.456 1.052 19849 4006 1 9 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.288 -0.894 19849 4007 1 9 . 1 1 5 5 GLU H H 5 8.835 8.835 8.676 0.159 19849 4008 1 9 . 1 1 6 6 GLN N N 6 122.133 122.133 118.422 3.711 19849 4009 1 9 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.153 -0.144 19849 4010 1 9 . 1 1 6 6 GLN C C 6 178.109 178.109 177.835 0.274 19849 4011 1 9 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.455 0.423 19849 4012 1 9 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.184 0.689 19849 4013 1 9 . 1 1 6 6 GLN H H 6 7.867 7.867 7.761 0.106 19849 4014 1 9 . 1 1 7 7 VAL N N 7 120.130 120.130 121.132 -1.002 19849 4015 1 9 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.582 -0.445 19849 4016 1 9 . 1 1 7 7 VAL C C 7 177.807 177.807 177.844 -0.037 19849 4017 1 9 . 1 1 7 7 VAL CA C 7 66.513 66.513 65.760 0.753 19849 4018 1 9 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.544 0.697 19849 4019 1 9 . 1 1 7 7 VAL H H 7 7.447 7.447 7.349 0.098 19849 4020 1 9 . 1 1 8 8 GLU N N 8 117.342 117.342 120.129 -2.787 19849 4021 1 9 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.883 -0.313 19849 4022 1 9 . 1 1 8 8 GLU C C 8 174.166 174.166 178.744 -4.578 19849 4023 1 9 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.733 -0.033 19849 4024 1 9 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.703 1.141 19849 4025 1 9 . 1 1 8 8 GLU H H 8 8.529 8.529 8.306 0.223 19849 4026 1 9 . 1 1 9 9 ALA N N 9 124.344 124.344 120.962 3.382 19849 4027 1 9 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.162 0.258 19849 4028 1 9 . 1 1 9 9 ALA C C 9 177.996 177.996 179.956 -1.960 19849 4029 1 9 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.734 0.789 19849 4030 1 9 . 1 1 9 9 ALA H H 9 8.301 8.301 7.565 0.736 19849 4031 1 9 . 1 1 10 10 SER N N 10 117.198 117.198 116.196 1.002 19849 4032 1 9 . 1 1 10 10 SER HA H 10 4.374 4.374 4.094 0.280 19849 4033 1 9 . 1 1 10 10 SER C C 10 175.219 175.219 176.415 -1.196 19849 4034 1 9 . 1 1 10 10 SER CA C 10 62.207 62.207 62.198 0.009 19849 4035 1 9 . 1 1 10 10 SER H H 10 8.303 8.303 8.024 0.279 19849 4036 1 9 . 1 1 11 11 LEU N N 11 118.287 118.287 121.273 -2.986 19849 4037 1 9 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.112 -0.298 19849 4038 1 9 . 1 1 11 11 LEU C C 11 179.247 179.247 179.002 0.245 19849 4039 1 9 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.827 0.382 19849 4040 1 9 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.264 1.264 19849 4041 1 9 . 1 1 11 11 LEU H H 11 7.973 7.973 8.588 -0.615 19849 4042 1 9 . 1 1 12 12 THR N N 12 116.416 116.416 115.136 1.280 19849 4043 1 9 . 1 1 12 12 THR HA H 12 3.530 3.530 3.956 -0.426 19849 4044 1 9 . 1 1 12 12 THR C C 12 176.464 176.464 176.604 -0.140 19849 4045 1 9 . 1 1 12 12 THR CA C 12 67.016 67.016 66.525 0.491 19849 4046 1 9 . 1 1 12 12 THR CB C 12 68.586 68.586 68.455 0.131 19849 4047 1 9 . 1 1 12 12 THR H H 12 8.440 8.440 7.876 0.564 19849 4048 1 9 . 1 1 13 13 SER N N 13 115.144 115.144 116.799 -1.655 19849 4049 1 9 . 1 1 13 13 SER HA H 13 4.105 4.105 4.385 -0.280 19849 4050 1 9 . 1 1 13 13 SER C C 13 176.285 176.285 175.550 0.735 19849 4051 1 9 . 1 1 13 13 SER CA C 13 61.032 61.032 61.318 -0.286 19849 4052 1 9 . 1 1 13 13 SER CB C 13 63.045 63.045 63.416 -0.371 19849 4053 1 9 . 1 1 13 13 SER H H 13 8.022 8.022 7.605 0.417 19849 4054 1 9 . 1 1 14 14 LYS N N 14 116.028 116.028 119.541 -3.513 19849 4055 1 9 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.235 0.075 19849 4056 1 9 . 1 1 14 14 LYS C C 14 178.041 178.041 177.475 0.566 19849 4057 1 9 . 1 1 14 14 LYS CA C 14 57.842 57.842 57.806 0.036 19849 4058 1 9 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.157 0.700 19849 4059 1 9 . 1 1 14 14 LYS H H 14 7.466 7.466 7.635 -0.169 19849 4060 1 9 . 1 1 15 15 LEU N N 15 114.405 114.405 117.802 -3.397 19849 4061 1 9 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.385 0.034 19849 4062 1 9 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.954 -0.030 19849 4063 1 9 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.799 -1.439 19849 4064 1 9 . 1 1 15 15 LEU H H 15 7.842 7.842 8.053 -0.211 19849 4065 1 9 . 1 1 16 16 LYS N N 16 116.513 116.513 116.569 -0.056 19849 4066 1 9 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.286 -0.166 19849 4067 1 9 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.321 -0.024 19849 4068 1 9 . 1 1 16 16 LYS H H 16 7.421 7.421 7.530 -0.109 19849 4069 1 9 . 1 1 17 17 PRO C C 17 177.159 177.159 175.323 1.836 19849 4070 1 9 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.528 -0.633 19849 4071 1 9 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.431 2.876 19849 4072 1 9 . 1 1 18 18 ILE N N 18 116.671 116.671 120.969 -4.298 19849 4073 1 9 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.125 0.169 19849 4074 1 9 . 1 1 18 18 ILE C C 18 175.085 175.085 176.498 -1.413 19849 4075 1 9 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.056 -1.029 19849 4076 1 9 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.308 0.708 19849 4077 1 9 . 1 1 18 18 ILE H H 18 7.917 7.917 8.194 -0.277 19849 4078 1 9 . 1 1 19 19 HIS N N 19 117.574 117.574 118.755 -1.181 19849 4079 1 9 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.695 -0.253 19849 4080 1 9 . 1 1 19 19 HIS C C 19 171.727 171.727 173.042 -1.315 19849 4081 1 9 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.362 1.012 19849 4082 1 9 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.600 1.959 19849 4083 1 9 . 1 1 19 19 HIS H H 19 6.968 6.968 7.787 -0.819 19849 4084 1 9 . 1 1 20 20 LEU N N 20 128.803 128.803 127.003 1.800 19849 4085 1 9 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.306 -0.500 19849 4086 1 9 . 1 1 20 20 LEU C C 20 173.636 173.636 176.087 -2.451 19849 4087 1 9 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.824 -0.400 19849 4088 1 9 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.825 0.739 19849 4089 1 9 . 1 1 20 20 LEU H H 20 7.928 7.928 8.288 -0.360 19849 4090 1 9 . 1 1 21 21 GLU N N 21 125.639 125.639 123.851 1.788 19849 4091 1 9 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.606 -0.096 19849 4092 1 9 . 1 1 21 21 GLU C C 21 174.143 174.143 175.089 -0.946 19849 4093 1 9 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.469 0.240 19849 4094 1 9 . 1 1 21 21 GLU CB C 21 33.593 33.593 32.058 1.535 19849 4095 1 9 . 1 1 21 21 GLU H H 21 8.703 8.703 8.596 0.107 19849 4096 1 9 . 1 1 22 22 VAL N N 22 126.675 126.675 121.149 5.526 19849 4097 1 9 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.022 -0.405 19849 4098 1 9 . 1 1 22 22 VAL C C 22 173.843 173.843 174.619 -0.776 19849 4099 1 9 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.679 0.680 19849 4100 1 9 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.639 0.032 19849 4101 1 9 . 1 1 22 22 VAL H H 22 8.936 8.936 8.599 0.337 19849 4102 1 9 . 1 1 23 23 ILE N N 23 126.078 126.078 126.866 -0.788 19849 4103 1 9 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.470 0.003 19849 4104 1 9 . 1 1 23 23 ILE C C 23 175.007 175.007 174.795 0.212 19849 4105 1 9 . 1 1 23 23 ILE CA C 23 59.446 59.446 60.099 -0.653 19849 4106 1 9 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.738 2.499 19849 4107 1 9 . 1 1 23 23 ILE H H 23 9.099 9.099 8.305 0.794 19849 4108 1 9 . 1 1 24 24 ASP N N 24 127.026 127.026 128.817 -1.791 19849 4109 1 9 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.633 -0.023 19849 4110 1 9 . 1 1 24 24 ASP C C 24 176.888 176.888 176.427 0.461 19849 4111 1 9 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.156 -1.292 19849 4112 1 9 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.993 0.039 19849 4113 1 9 . 1 1 24 24 ASP H H 24 9.152 9.152 8.919 0.233 19849 4114 1 9 . 1 1 25 25 ILE N N 25 123.148 123.148 127.231 -4.083 19849 4115 1 9 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.141 0.451 19849 4116 1 9 . 1 1 25 25 ILE C C 25 175.765 175.765 176.485 -0.720 19849 4117 1 9 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.979 -0.867 19849 4118 1 9 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.270 -1.357 19849 4119 1 9 . 1 1 25 25 ILE H H 25 7.915 7.915 8.121 -0.206 19849 4120 1 9 . 1 1 26 26 SER N N 26 119.373 119.373 114.609 4.764 19849 4121 1 9 . 1 1 26 26 SER HA H 26 4.520 4.520 4.575 -0.055 19849 4122 1 9 . 1 1 26 26 SER C C 26 175.488 175.488 174.700 0.788 19849 4123 1 9 . 1 1 26 26 SER CA C 26 58.030 58.030 58.406 -0.376 19849 4124 1 9 . 1 1 26 26 SER CB C 26 64.605 64.605 64.978 -0.373 19849 4125 1 9 . 1 1 26 26 SER H H 26 9.175 9.175 7.928 1.247 19849 4126 1 9 . 1 1 27 27 GLY N N 27 111.902 111.902 109.010 2.892 19849 4127 1 9 . 1 1 27 27 GLY C C 27 175.418 175.418 173.362 2.056 19849 4128 1 9 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.845 0.590 19849 4129 1 9 . 1 1 27 27 GLY H H 27 8.417 8.417 7.897 0.520 19849 4130 1 9 . 1 1 28 28 GLY N N 28 106.936 106.936 108.667 -1.731 19849 4131 1 9 . 1 1 28 28 GLY C C 28 177.627 177.627 175.017 2.610 19849 4132 1 9 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.525 0.103 19849 4133 1 9 . 1 1 28 28 GLY H H 28 7.864 7.864 8.504 -0.640 19849 4134 1 9 . 1 1 29 29 CYS N N 29 116.829 116.829 117.903 -1.074 19849 4135 1 9 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.827 -0.464 19849 4136 1 9 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.131 0.309 19849 4137 1 9 . 1 1 29 29 CYS CB C 29 27.858 27.858 26.884 0.974 19849 4138 1 9 . 1 1 29 29 CYS H H 29 7.380 7.380 8.021 -0.641 19849 4139 1 9 . 1 1 30 30 GLY N N 30 111.626 111.626 108.577 3.049 19849 4140 1 9 . 1 1 30 30 GLY C C 30 173.383 173.383 174.384 -1.001 19849 4141 1 9 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.216 1.870 19849 4142 1 9 . 1 1 30 30 GLY H H 30 8.965 8.965 8.277 0.688 19849 4143 1 9 . 1 1 31 31 SER N N 31 111.735 111.735 116.595 -4.860 19849 4144 1 9 . 1 1 31 31 SER HA H 31 4.639 4.639 3.919 0.720 19849 4145 1 9 . 1 1 31 31 SER C C 31 174.246 174.246 173.783 0.463 19849 4146 1 9 . 1 1 31 31 SER CA C 31 58.203 58.203 59.614 -1.411 19849 4147 1 9 . 1 1 31 31 SER CB C 31 64.459 64.459 62.924 1.535 19849 4148 1 9 . 1 1 31 31 SER H H 31 8.220 8.220 7.940 0.280 19849 4149 1 9 . 1 1 32 32 SER N N 32 116.259 116.259 122.099 -5.840 19849 4150 1 9 . 1 1 32 32 SER HA H 32 5.346 5.346 4.737 0.609 19849 4151 1 9 . 1 1 32 32 SER C C 32 176.363 176.363 172.430 3.933 19849 4152 1 9 . 1 1 32 32 SER CA C 32 57.400 57.400 57.540 -0.140 19849 4153 1 9 . 1 1 32 32 SER CB C 32 62.866 62.866 64.559 -1.693 19849 4154 1 9 . 1 1 32 32 SER H H 32 7.253 7.253 8.241 -0.988 19849 4155 1 9 . 1 1 33 33 PHE N N 33 118.533 118.533 123.008 -4.475 19849 4156 1 9 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.111 0.545 19849 4157 1 9 . 1 1 33 33 PHE C C 33 174.163 174.163 175.058 -0.895 19849 4158 1 9 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.222 0.160 19849 4159 1 9 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.000 2.450 19849 4160 1 9 . 1 1 33 33 PHE H H 33 7.995 7.995 9.297 -1.302 19849 4161 1 9 . 1 1 34 34 GLU N N 34 122.301 122.301 123.705 -1.404 19849 4162 1 9 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.975 0.585 19849 4163 1 9 . 1 1 34 34 GLU C C 34 175.902 175.902 176.054 -0.152 19849 4164 1 9 . 1 1 34 34 GLU CA C 34 54.376 54.376 54.611 -0.235 19849 4165 1 9 . 1 1 34 34 GLU CB C 34 33.543 33.543 30.331 3.212 19849 4166 1 9 . 1 1 34 34 GLU H H 34 9.436 9.436 8.494 0.942 19849 4167 1 9 . 1 1 35 35 VAL N N 35 118.350 118.350 120.981 -2.631 19849 4168 1 9 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.875 0.494 19849 4169 1 9 . 1 1 35 35 VAL C C 35 174.616 174.616 175.033 -0.417 19849 4170 1 9 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.569 -0.205 19849 4171 1 9 . 1 1 35 35 VAL CB C 35 36.178 36.178 33.431 2.747 19849 4172 1 9 . 1 1 35 35 VAL H H 35 8.784 8.784 8.875 -0.091 19849 4173 1 9 . 1 1 36 36 GLU N N 36 123.537 123.537 127.456 -3.919 19849 4174 1 9 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.691 0.278 19849 4175 1 9 . 1 1 36 36 GLU C C 36 174.745 174.745 175.063 -0.318 19849 4176 1 9 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.074 0.117 19849 4177 1 9 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.494 1.592 19849 4178 1 9 . 1 1 36 36 GLU H H 36 8.859 8.859 8.430 0.429 19849 4179 1 9 . 1 1 37 37 VAL N N 37 120.272 120.272 126.916 -6.644 19849 4180 1 9 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.205 -0.593 19849 4181 1 9 . 1 1 37 37 VAL C C 37 172.679 172.679 174.708 -2.029 19849 4182 1 9 . 1 1 37 37 VAL CA C 37 60.290 60.290 59.860 0.430 19849 4183 1 9 . 1 1 37 37 VAL CB C 37 35.021 35.021 35.101 -0.080 19849 4184 1 9 . 1 1 37 37 VAL H H 37 8.497 8.497 9.019 -0.522 19849 4185 1 9 . 1 1 38 38 VAL N N 38 127.971 127.971 127.520 0.451 19849 4186 1 9 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.164 0.093 19849 4187 1 9 . 1 1 38 38 VAL C C 38 175.842 175.842 174.646 1.196 19849 4188 1 9 . 1 1 38 38 VAL CA C 38 59.474 59.474 61.014 -1.540 19849 4189 1 9 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.517 0.598 19849 4190 1 9 . 1 1 38 38 VAL H H 38 8.169 8.169 8.626 -0.457 19849 4191 1 9 . 1 1 39 39 SER N N 39 117.426 117.426 119.753 -2.327 19849 4192 1 9 . 1 1 39 39 SER HA H 39 4.821 4.821 4.778 0.043 19849 4193 1 9 . 1 1 39 39 SER C C 39 175.323 175.323 174.283 1.040 19849 4194 1 9 . 1 1 39 39 SER CA C 39 55.888 55.888 55.521 0.367 19849 4195 1 9 . 1 1 39 39 SER CB C 39 64.183 64.183 65.579 -1.396 19849 4196 1 9 . 1 1 39 39 SER H H 39 8.304 8.304 7.920 0.384 19849 4197 1 9 . 1 1 40 40 GLU N N 40 131.571 131.571 124.569 7.002 19849 4198 1 9 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.042 0.077 19849 4199 1 9 . 1 1 40 40 GLU C C 40 177.887 177.887 176.957 0.930 19849 4200 1 9 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.446 0.235 19849 4201 1 9 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.169 0.461 19849 4202 1 9 . 1 1 40 40 GLU H H 40 9.911 9.911 9.022 0.889 19849 4203 1 9 . 1 1 41 41 GLN N N 41 117.534 117.534 117.710 -0.176 19849 4204 1 9 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.176 -0.192 19849 4205 1 9 . 1 1 41 41 GLN C C 41 176.391 176.391 175.526 0.865 19849 4206 1 9 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.031 0.412 19849 4207 1 9 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.899 0.004 19849 4208 1 9 . 1 1 41 41 GLN H H 41 8.219 8.219 7.855 0.364 19849 4209 1 9 . 1 1 42 42 PHE N N 42 113.224 113.224 115.690 -2.466 19849 4210 1 9 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.746 -0.220 19849 4211 1 9 . 1 1 42 42 PHE C C 42 175.064 175.064 175.243 -0.179 19849 4212 1 9 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.213 -0.074 19849 4213 1 9 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.806 -1.170 19849 4214 1 9 . 1 1 42 42 PHE H H 42 6.894 6.894 7.663 -0.769 19849 4215 1 9 . 1 1 43 43 GLU N N 43 121.136 121.136 122.230 -1.094 19849 4216 1 9 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.262 -0.295 19849 4217 1 9 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.363 1.998 19849 4218 1 9 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.516 0.718 19849 4219 1 9 . 1 1 43 43 GLU H H 43 7.469 7.469 7.458 0.011 19849 4220 1 9 . 1 1 44 44 GLY N N 44 114.819 114.819 116.277 -1.458 19849 4221 1 9 . 1 1 44 44 GLY C C 44 174.101 174.101 174.308 -0.207 19849 4222 1 9 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.135 -0.509 19849 4223 1 9 . 1 1 44 44 GLY H H 44 9.014 9.014 8.733 0.281 19849 4224 1 9 . 1 1 45 45 LYS N N 45 118.678 118.678 119.996 -1.318 19849 4225 1 9 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.612 0.077 19849 4226 1 9 . 1 1 45 45 LYS C C 45 177.858 177.858 175.939 1.919 19849 4227 1 9 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.588 -1.027 19849 4228 1 9 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.328 -0.887 19849 4229 1 9 . 1 1 45 45 LYS H H 45 7.932 7.932 7.596 0.336 19849 4230 1 9 . 1 1 46 46 ARG N N 46 125.430 125.430 120.834 4.596 19849 4231 1 9 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.395 -0.102 19849 4232 1 9 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.323 0.456 19849 4233 1 9 . 1 1 46 46 ARG H H 46 9.288 9.288 8.619 0.669 19849 4234 1 9 . 1 1 47 47 LEU N N 47 124.205 124.205 123.898 0.307 19849 4235 1 9 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.636 0.066 19849 4236 1 9 . 1 1 47 47 LEU C C 47 178.476 178.476 178.730 -0.254 19849 4237 1 9 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.843 1.846 19849 4238 1 9 . 1 1 47 47 LEU H H 47 8.320 8.320 8.792 -0.472 19849 4239 1 9 . 1 1 48 48 LEU N N 48 115.874 115.874 119.344 -3.470 19849 4240 1 9 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.128 -0.356 19849 4241 1 9 . 1 1 48 48 LEU C C 48 179.985 179.985 178.398 1.587 19849 4242 1 9 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.048 0.575 19849 4243 1 9 . 1 1 48 48 LEU H H 48 8.587 8.587 8.057 0.530 19849 4244 1 9 . 1 1 49 49 GLU N N 49 118.216 118.216 118.458 -0.242 19849 4245 1 9 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.969 0.139 19849 4246 1 9 . 1 1 49 49 GLU C C 49 177.944 177.944 179.508 -1.564 19849 4247 1 9 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.373 -0.955 19849 4248 1 9 . 1 1 49 49 GLU H H 49 6.964 6.964 7.827 -0.863 19849 4249 1 9 . 1 1 50 50 ARG N N 50 119.674 119.674 119.645 0.029 19849 4250 1 9 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.260 -0.343 19849 4251 1 9 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.626 -0.552 19849 4252 1 9 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.030 -1.019 19849 4253 1 9 . 1 1 50 50 ARG H H 50 7.991 7.991 8.387 -0.396 19849 4254 1 9 . 1 1 51 51 HIS N N 51 117.056 117.056 117.911 -0.855 19849 4255 1 9 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.392 -0.396 19849 4256 1 9 . 1 1 51 51 HIS C C 51 176.638 176.638 177.800 -1.162 19849 4257 1 9 . 1 1 51 51 HIS H H 51 8.294 8.294 8.187 0.107 19849 4258 1 9 . 1 1 52 52 ARG N N 52 120.626 120.626 119.254 1.372 19849 4259 1 9 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.068 0.150 19849 4260 1 9 . 1 1 52 52 ARG C C 52 179.014 179.014 177.741 1.273 19849 4261 1 9 . 1 1 52 52 ARG CA C 52 59.992 59.992 59.308 0.684 19849 4262 1 9 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.086 -0.527 19849 4263 1 9 . 1 1 52 52 ARG H H 52 8.001 8.001 8.302 -0.301 19849 4264 1 9 . 1 1 53 53 MET N N 53 119.087 119.087 117.835 1.252 19849 4265 1 9 . 1 1 53 53 MET HA H 53 4.006 4.006 4.484 -0.478 19849 4266 1 9 . 1 1 53 53 MET C C 53 179.286 179.286 178.309 0.977 19849 4267 1 9 . 1 1 53 53 MET CA C 53 59.404 59.404 56.985 2.419 19849 4268 1 9 . 1 1 53 53 MET CB C 53 34.976 34.976 32.838 2.138 19849 4269 1 9 . 1 1 53 53 MET H H 53 8.162 8.162 7.658 0.504 19849 4270 1 9 . 1 1 54 54 VAL N N 54 120.886 120.886 120.186 0.700 19849 4271 1 9 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.791 -0.366 19849 4272 1 9 . 1 1 54 54 VAL C C 54 176.296 176.296 177.608 -1.312 19849 4273 1 9 . 1 1 54 54 VAL CA C 54 66.833 66.833 65.939 0.894 19849 4274 1 9 . 1 1 54 54 VAL CB C 54 31.444 31.444 31.903 -0.459 19849 4275 1 9 . 1 1 54 54 VAL H H 54 7.790 7.790 8.259 -0.469 19849 4276 1 9 . 1 1 55 55 ASN N N 55 116.881 116.881 118.223 -1.342 19849 4277 1 9 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.615 -0.602 19849 4278 1 9 . 1 1 55 55 ASN C C 55 178.422 178.422 176.928 1.494 19849 4279 1 9 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.293 1.836 19849 4280 1 9 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.435 0.432 19849 4281 1 9 . 1 1 55 55 ASN H H 55 8.032 8.032 8.572 -0.540 19849 4282 1 9 . 1 1 56 56 ALA N N 56 121.164 121.164 122.559 -1.395 19849 4283 1 9 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.126 -0.043 19849 4284 1 9 . 1 1 56 56 ALA C C 56 180.700 180.700 178.785 1.915 19849 4285 1 9 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.583 0.017 19849 4286 1 9 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.271 -0.009 19849 4287 1 9 . 1 1 56 56 ALA H H 56 8.578 8.578 7.683 0.895 19849 4288 1 9 . 1 1 57 57 ALA N N 57 121.156 121.156 118.858 2.298 19849 4289 1 9 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.353 -0.321 19849 4290 1 9 . 1 1 57 57 ALA C C 57 177.240 177.240 177.313 -0.073 19849 4291 1 9 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.680 0.407 19849 4292 1 9 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.296 -0.834 19849 4293 1 9 . 1 1 57 57 ALA H H 57 7.609 7.609 7.577 0.032 19849 4294 1 9 . 1 1 58 58 LEU N N 58 116.065 116.065 116.420 -0.355 19849 4295 1 9 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.555 0.340 19849 4296 1 9 . 1 1 58 58 LEU C C 58 176.446 176.446 177.367 -0.921 19849 4297 1 9 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.962 -2.441 19849 4298 1 9 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.412 0.341 19849 4299 1 9 . 1 1 58 58 LEU H H 58 6.995 6.995 7.647 -0.652 19849 4300 1 9 . 1 1 59 59 GLU N N 59 120.288 120.288 121.886 -1.598 19849 4301 1 9 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.994 -0.220 19849 4302 1 9 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.715 1.021 19849 4303 1 9 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.140 0.868 19849 4304 1 9 . 1 1 59 59 GLU H H 59 7.034 7.034 8.122 -1.088 19849 4305 1 9 . 1 1 60 60 GLU N N 60 116.322 116.322 118.305 -1.983 19849 4306 1 9 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.014 0.016 19849 4307 1 9 . 1 1 60 60 GLU C C 60 179.270 179.270 178.753 0.517 19849 4308 1 9 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.234 -0.541 19849 4309 1 9 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.847 0.469 19849 4310 1 9 . 1 1 60 60 GLU H H 60 8.622 8.622 8.699 -0.077 19849 4311 1 9 . 1 1 61 61 GLU N N 61 121.506 121.506 119.237 2.269 19849 4312 1 9 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.042 -0.152 19849 4313 1 9 . 1 1 61 61 GLU C C 61 179.010 179.010 178.605 0.405 19849 4314 1 9 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.234 1.728 19849 4315 1 9 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.017 -0.542 19849 4316 1 9 . 1 1 61 61 GLU H H 61 8.946 8.946 8.197 0.749 19849 4317 1 9 . 1 1 62 62 MET N N 62 116.213 116.213 116.636 -0.423 19849 4318 1 9 . 1 1 62 62 MET HA H 62 4.312 4.312 4.119 0.193 19849 4319 1 9 . 1 1 62 62 MET CA C 62 56.302 56.302 59.039 -2.737 19849 4320 1 9 . 1 1 62 62 MET CB C 62 30.553 30.553 32.741 -2.188 19849 4321 1 9 . 1 1 62 62 MET H H 62 8.693 8.693 8.073 0.620 19849 4322 1 9 . 1 1 63 63 LYS N N 63 116.969 116.969 115.756 1.213 19849 4323 1 9 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.168 -0.083 19849 4324 1 9 . 1 1 63 63 LYS C C 63 177.541 177.541 177.669 -0.128 19849 4325 1 9 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.853 0.875 19849 4326 1 9 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.431 0.094 19849 4327 1 9 . 1 1 63 63 LYS H H 63 7.470 7.470 7.462 0.008 19849 4328 1 9 . 1 1 64 64 GLU N N 64 115.556 115.556 118.599 -3.043 19849 4329 1 9 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.275 0.190 19849 4330 1 9 . 1 1 64 64 GLU C C 64 175.679 175.679 176.526 -0.847 19849 4331 1 9 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.784 -1.181 19849 4332 1 9 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.045 1.225 19849 4333 1 9 . 1 1 64 64 GLU H H 64 7.773 7.773 7.685 0.088 19849 4334 1 9 . 1 1 65 65 ILE N N 65 120.461 120.461 114.197 6.264 19849 4335 1 9 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.334 -0.255 19849 4336 1 9 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.270 2.438 19849 4337 1 9 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.233 -0.151 19849 4338 1 9 . 1 1 65 65 ILE H H 65 7.502 7.502 7.435 0.067 19849 4339 1 9 . 1 1 66 66 HIS N N 66 125.683 125.683 117.455 8.228 19849 4340 1 9 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.760 -0.215 19849 4341 1 9 . 1 1 66 66 HIS CA C 66 57.683 57.683 56.055 1.628 19849 4342 1 9 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.679 -1.402 19849 4343 1 9 . 1 1 66 66 HIS H H 66 9.196 9.196 7.997 1.199 19849 4344 1 9 . 1 1 67 67 ALA N N 67 120.229 120.229 121.494 -1.265 19849 4345 1 9 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.455 -0.031 19849 4346 1 9 . 1 1 67 67 ALA C C 67 173.834 173.834 175.305 -1.471 19849 4347 1 9 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.718 -0.569 19849 4348 1 9 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.576 0.865 19849 4349 1 9 . 1 1 67 67 ALA H H 67 7.493 7.493 7.924 -0.431 19849 4350 1 9 . 1 1 68 68 LEU N N 68 124.546 124.546 125.015 -0.469 19849 4351 1 9 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.302 -0.308 19849 4352 1 9 . 1 1 68 68 LEU C C 68 175.157 175.157 176.377 -1.220 19849 4353 1 9 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.507 -1.316 19849 4354 1 9 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.516 0.253 19849 4355 1 9 . 1 1 68 68 LEU H H 68 8.557 8.557 8.560 -0.003 19849 4356 1 9 . 1 1 69 69 SER N N 69 122.077 122.077 122.292 -0.215 19849 4357 1 9 . 1 1 69 69 SER HA H 69 4.677 4.677 4.650 0.027 19849 4358 1 9 . 1 1 69 69 SER C C 69 173.548 173.548 173.468 0.080 19849 4359 1 9 . 1 1 69 69 SER CA C 69 55.803 55.803 58.007 -2.204 19849 4360 1 9 . 1 1 69 69 SER CB C 69 63.549 63.549 63.564 -0.015 19849 4361 1 9 . 1 1 69 69 SER H H 69 8.854 8.854 9.293 -0.438 19849 4362 1 9 . 1 1 70 70 ILE N N 70 129.143 129.143 129.188 -0.045 19849 4363 1 9 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.534 -0.428 19849 4364 1 9 . 1 1 70 70 ILE C C 70 175.059 175.059 175.234 -0.175 19849 4365 1 9 . 1 1 70 70 ILE CA C 70 60.633 60.633 59.936 0.697 19849 4366 1 9 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.723 -1.296 19849 4367 1 9 . 1 1 70 70 ILE H H 70 8.922 8.922 8.401 0.521 19849 4368 1 9 . 1 1 71 71 LYS N N 71 130.019 130.019 126.723 3.296 19849 4369 1 9 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.120 -0.048 19849 4370 1 9 . 1 1 71 71 LYS C C 71 177.201 177.201 177.170 0.031 19849 4371 1 9 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.044 -0.106 19849 4372 1 9 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.745 0.681 19849 4373 1 9 . 1 1 71 71 LYS H H 71 8.676 8.676 8.007 0.669 19849 4374 1 9 . 1 1 72 72 LYS N N 72 113.659 113.659 119.876 -6.217 19849 4375 1 9 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.521 -0.046 19849 4376 1 9 . 1 1 72 72 LYS C C 72 174.013 174.013 174.220 -0.207 19849 4377 1 9 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.419 0.545 19849 4378 1 9 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.538 3.156 19849 4379 1 9 . 1 1 72 72 LYS H H 72 7.195 7.195 7.478 -0.283 19849 4380 1 9 . 1 1 73 73 ALA N N 73 129.019 129.019 129.200 -0.181 19849 4381 1 9 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.564 0.638 19849 4382 1 9 . 1 1 73 73 ALA C C 73 175.410 175.410 175.244 0.166 19849 4383 1 9 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.486 0.463 19849 4384 1 9 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.791 -2.103 19849 4385 1 9 . 1 1 73 73 ALA H H 73 8.847 8.847 8.724 0.123 19849 4386 1 9 . 1 1 74 74 GLN N N 74 120.993 120.993 122.971 -1.978 19849 4387 1 9 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.899 -0.053 19849 4388 1 9 . 1 1 74 74 GLN C C 74 175.603 175.603 174.613 0.990 19849 4389 1 9 . 1 1 74 74 GLN CA C 74 54.773 54.773 53.969 0.804 19849 4390 1 9 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.419 0.536 19849 4391 1 9 . 1 1 74 74 GLN H H 74 8.398 8.398 8.399 -0.001 19849 4392 1 9 . 1 1 75 75 THR N N 75 111.917 111.917 113.272 -1.355 19849 4393 1 9 . 1 1 75 75 THR HA H 75 4.866 4.866 4.805 0.061 19849 4394 1 9 . 1 1 75 75 THR CA C 75 59.600 59.600 58.606 0.994 19849 4395 1 9 . 1 1 75 75 THR H H 75 8.920 8.920 8.636 0.284 19849 4396 1 9 . 1 1 76 76 PRO C C 76 177.659 177.659 177.478 0.181 19849 4397 1 9 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.629 0.814 19849 4398 1 9 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.701 0.175 19849 4399 1 9 . 1 1 77 77 GLN N N 77 114.329 114.329 116.038 -1.709 19849 4400 1 9 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.163 -0.097 19849 4401 1 9 . 1 1 77 77 GLN C C 77 177.630 177.630 177.552 0.078 19849 4402 1 9 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.230 0.422 19849 4403 1 9 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.866 0.372 19849 4404 1 9 . 1 1 77 77 GLN H H 77 8.481 8.481 8.622 -0.141 19849 4405 1 9 . 1 1 78 78 GLN N N 78 116.831 116.831 117.610 -0.779 19849 4406 1 9 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.372 -0.279 19849 4407 1 9 . 1 1 78 78 GLN C C 78 176.403 176.403 176.846 -0.443 19849 4408 1 9 . 1 1 78 78 GLN CA C 78 57.293 57.293 56.957 0.336 19849 4409 1 9 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.289 1.685 19849 4410 1 9 . 1 1 78 78 GLN H H 78 7.503 7.503 8.050 -0.547 19849 4411 1 9 . 1 1 79 79 TRP N N 79 120.561 120.561 120.849 -0.288 19849 4412 1 9 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.560 -0.173 19849 4413 1 9 . 1 1 79 79 TRP C C 79 175.429 175.429 176.702 -1.273 19849 4414 1 9 . 1 1 79 79 TRP CA C 79 58.561 58.561 58.731 -0.170 19849 4415 1 9 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.288 1.626 19849 4416 1 9 . 1 1 79 79 TRP H H 79 7.668 7.668 8.137 -0.469 19849 4417 1 9 . 1 1 80 80 LYS N N 80 120.883 120.883 119.004 1.879 19849 4418 1 9 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.133 0.067 19849 4419 1 9 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.535 -5.497 19849 4420 1 9 . 1 1 80 80 LYS H H 80 7.768 7.768 8.078 -0.310 19849 4421 1 9 . 1 1 82 82 PRO C C 82 176.919 176.919 176.216 0.703 19849 4422 1 9 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.344 -0.405 19849 4423 1 9 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.161 -0.135 19849 4424 1 9 . 1 1 83 83 SER N N 83 115.592 115.592 117.072 -1.480 19849 4425 1 9 . 1 1 83 83 SER HA H 83 4.315 4.315 4.509 -0.194 19849 4426 1 9 . 1 1 83 83 SER C C 83 174.665 174.665 173.424 1.241 19849 4427 1 9 . 1 1 83 83 SER CA C 83 58.162 58.162 57.744 0.418 19849 4428 1 9 . 1 1 83 83 SER CB C 83 63.831 63.831 62.343 1.488 19849 4429 1 9 . 1 1 83 83 SER H H 83 8.264 8.264 8.058 0.206 19849 4430 1 9 . 1 1 84 84 GLN N N 84 122.131 122.131 119.214 2.917 19849 4431 1 9 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.492 -0.203 19849 4432 1 9 . 1 1 84 84 GLN C C 84 175.598 175.598 176.611 -1.013 19849 4433 1 9 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.047 -1.196 19849 4434 1 9 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.520 0.098 19849 4435 1 9 . 1 1 84 84 GLN H H 84 8.430 8.430 7.927 0.503 19849 4436 1 9 . 1 1 85 85 ASP N N 85 121.550 121.550 120.579 0.971 19849 4437 1 9 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.488 0.046 19849 4438 1 9 . 1 1 85 85 ASP C C 85 176.431 176.431 178.442 -2.011 19849 4439 1 9 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.707 -2.283 19849 4440 1 9 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.509 0.761 19849 4441 1 9 . 1 1 85 85 ASP H H 85 8.307 8.307 8.529 -0.222 19849 4442 1 9 . 1 1 86 86 SER N N 86 116.617 116.617 116.319 0.298 19849 4443 1 9 . 1 1 86 86 SER HA H 86 4.316 4.316 4.234 0.082 19849 4444 1 9 . 1 1 86 86 SER C C 86 174.590 174.590 176.236 -1.646 19849 4445 1 9 . 1 1 86 86 SER CA C 86 58.797 58.797 60.935 -2.138 19849 4446 1 9 . 1 1 86 86 SER CB C 86 63.667 63.667 62.944 0.723 19849 4447 1 9 . 1 1 86 86 SER H H 86 8.231 8.231 8.258 -0.027 19849 4448 1 9 . 1 1 87 87 ALA N N 87 125.663 125.663 122.317 3.346 19849 4449 1 9 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.336 -0.046 19849 4450 1 9 . 1 1 87 87 ALA C C 87 178.018 178.018 177.525 0.493 19849 4451 1 9 . 1 1 87 87 ALA CA C 87 52.952 52.952 54.105 -1.153 19849 4452 1 9 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.454 0.663 19849 4453 1 9 . 1 1 87 87 ALA H H 87 8.312 8.312 8.164 0.148 19849 4454 1 9 . 1 1 88 88 THR N N 88 112.987 112.987 114.056 -1.069 19849 4455 1 9 . 1 1 88 88 THR HA H 88 4.221 4.221 4.507 -0.286 19849 4456 1 9 . 1 1 88 88 THR C C 88 174.488 174.488 173.860 0.628 19849 4457 1 9 . 1 1 88 88 THR CA C 88 62.115 62.115 64.057 -1.942 19849 4458 1 9 . 1 1 88 88 THR CB C 88 69.626 69.626 69.271 0.355 19849 4459 1 9 . 1 1 88 88 THR H H 88 7.997 7.997 7.445 0.552 19849 4460 1 9 . 1 1 89 89 LEU N N 89 124.655 124.655 122.188 2.467 19849 4461 1 9 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.872 -0.516 19849 4462 1 9 . 1 1 89 89 LEU C C 89 177.367 177.367 177.380 -0.013 19849 4463 1 9 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.652 -0.389 19849 4464 1 9 . 1 1 89 89 LEU CB C 89 42.492 42.492 42.292 0.200 19849 4465 1 9 . 1 1 89 89 LEU H H 89 8.119 8.119 7.643 0.476 19849 4466 1 9 . 1 1 90 90 THR N N 90 115.527 115.527 113.538 1.989 19849 4467 1 9 . 1 1 90 90 THR HA H 90 4.261 4.261 4.168 0.093 19849 4468 1 9 . 1 1 90 90 THR CA C 90 61.707 61.707 64.530 -2.823 19849 4469 1 9 . 1 1 90 90 THR CB C 90 69.825 69.825 69.062 0.763 19849 4470 1 9 . 1 1 90 90 THR H H 90 8.086 8.086 7.949 0.137 19849 4471 1 9 . 1 1 91 91 LYS N N 91 123.923 123.923 117.057 6.866 19849 4472 1 9 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.481 -0.188 19849 4473 1 9 . 1 1 91 91 LYS C C 91 175.949 175.949 175.203 0.746 19849 4474 1 9 . 1 1 91 91 LYS CA C 91 56.164 56.164 55.168 0.996 19849 4475 1 9 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.320 0.939 19849 4476 1 9 . 1 1 91 91 LYS H H 91 8.272 8.272 7.485 0.787 19849 4477 1 9 . 1 1 92 92 ASP N N 92 122.237 122.237 116.720 5.517 19849 4478 1 9 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.437 0.073 19849 4479 1 9 . 1 1 92 92 ASP C C 92 174.733 174.733 175.238 -0.505 19849 4480 1 9 . 1 1 92 92 ASP CA C 92 54.535 54.535 55.608 -1.073 19849 4481 1 9 . 1 1 92 92 ASP CB C 92 41.111 41.111 39.239 1.872 19849 4482 1 9 . 1 1 92 92 ASP H H 92 8.340 8.340 8.334 0.006 19849 4483 1 10 . 1 1 2 2 VAL N N 2 120.462 120.462 124.664 -4.202 19849 4484 1 10 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.591 -0.083 19849 4485 1 10 . 1 1 2 2 VAL C C 2 174.797 174.797 174.104 0.693 19849 4486 1 10 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.247 0.038 19849 4487 1 10 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.785 -0.964 19849 4488 1 10 . 1 1 2 2 VAL H H 2 8.729 8.729 8.553 0.176 19849 4489 1 10 . 1 1 3 3 THR N N 3 113.531 113.531 115.473 -1.942 19849 4490 1 10 . 1 1 3 3 THR HA H 3 4.794 4.794 4.782 0.012 19849 4491 1 10 . 1 1 3 3 THR C C 3 175.419 175.419 174.643 0.776 19849 4492 1 10 . 1 1 3 3 THR CA C 3 59.466 59.466 60.104 -0.638 19849 4493 1 10 . 1 1 3 3 THR H H 3 7.740 7.740 8.148 -0.408 19849 4494 1 10 . 1 1 4 4 LYS N N 4 121.981 121.981 122.218 -0.237 19849 4495 1 10 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.605 -0.168 19849 4496 1 10 . 1 1 4 4 LYS C C 4 177.186 177.186 177.732 -0.546 19849 4497 1 10 . 1 1 4 4 LYS CA C 4 59.716 59.716 59.176 0.540 19849 4498 1 10 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.940 1.270 19849 4499 1 10 . 1 1 4 4 LYS H H 4 9.168 9.168 8.959 0.209 19849 4500 1 10 . 1 1 5 5 GLU N N 5 117.723 117.723 117.417 0.306 19849 4501 1 10 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.067 -0.015 19849 4502 1 10 . 1 1 5 5 GLU C C 5 179.351 179.351 178.823 0.528 19849 4503 1 10 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.496 1.012 19849 4504 1 10 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.015 -0.621 19849 4505 1 10 . 1 1 5 5 GLU H H 5 8.835 8.835 8.733 0.102 19849 4506 1 10 . 1 1 6 6 GLN N N 6 122.133 122.133 117.643 4.490 19849 4507 1 10 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.181 -0.172 19849 4508 1 10 . 1 1 6 6 GLN C C 6 178.109 178.109 178.184 -0.075 19849 4509 1 10 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.220 0.658 19849 4510 1 10 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.074 0.799 19849 4511 1 10 . 1 1 6 6 GLN H H 6 7.867 7.867 7.637 0.230 19849 4512 1 10 . 1 1 7 7 VAL N N 7 120.130 120.130 121.272 -1.142 19849 4513 1 10 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.596 -0.459 19849 4514 1 10 . 1 1 7 7 VAL C C 7 177.807 177.807 177.829 -0.022 19849 4515 1 10 . 1 1 7 7 VAL CA C 7 66.513 66.513 65.912 0.601 19849 4516 1 10 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.671 0.570 19849 4517 1 10 . 1 1 7 7 VAL H H 7 7.447 7.447 7.324 0.123 19849 4518 1 10 . 1 1 8 8 GLU N N 8 117.342 117.342 119.992 -2.650 19849 4519 1 10 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.913 -0.343 19849 4520 1 10 . 1 1 8 8 GLU C C 8 174.166 174.166 178.615 -4.449 19849 4521 1 10 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.717 -0.018 19849 4522 1 10 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.925 0.919 19849 4523 1 10 . 1 1 8 8 GLU H H 8 8.529 8.529 8.427 0.102 19849 4524 1 10 . 1 1 9 9 ALA N N 9 124.344 124.344 120.553 3.791 19849 4525 1 10 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.140 0.280 19849 4526 1 10 . 1 1 9 9 ALA C C 9 177.996 177.996 179.153 -1.157 19849 4527 1 10 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.635 0.888 19849 4528 1 10 . 1 1 9 9 ALA H H 9 8.301 8.301 7.610 0.691 19849 4529 1 10 . 1 1 10 10 SER N N 10 117.198 117.198 115.411 1.787 19849 4530 1 10 . 1 1 10 10 SER HA H 10 4.374 4.374 4.165 0.209 19849 4531 1 10 . 1 1 10 10 SER C C 10 175.219 175.219 176.486 -1.267 19849 4532 1 10 . 1 1 10 10 SER CA C 10 62.207 62.207 61.473 0.734 19849 4533 1 10 . 1 1 10 10 SER H H 10 8.303 8.303 7.736 0.567 19849 4534 1 10 . 1 1 11 11 LEU N N 11 118.287 118.287 121.343 -3.056 19849 4535 1 10 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.083 -0.269 19849 4536 1 10 . 1 1 11 11 LEU C C 11 179.247 179.247 179.291 -0.044 19849 4537 1 10 . 1 1 11 11 LEU CA C 11 58.209 58.209 58.130 0.079 19849 4538 1 10 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.152 1.376 19849 4539 1 10 . 1 1 11 11 LEU H H 11 7.973 7.973 8.654 -0.681 19849 4540 1 10 . 1 1 12 12 THR N N 12 116.416 116.416 113.437 2.979 19849 4541 1 10 . 1 1 12 12 THR HA H 12 3.530 3.530 4.085 -0.555 19849 4542 1 10 . 1 1 12 12 THR C C 12 176.464 176.464 176.092 0.372 19849 4543 1 10 . 1 1 12 12 THR CA C 12 67.016 67.016 66.008 1.008 19849 4544 1 10 . 1 1 12 12 THR CB C 12 68.586 68.586 68.219 0.367 19849 4545 1 10 . 1 1 12 12 THR H H 12 8.440 8.440 7.661 0.779 19849 4546 1 10 . 1 1 13 13 SER N N 13 115.144 115.144 117.301 -2.157 19849 4547 1 10 . 1 1 13 13 SER HA H 13 4.105 4.105 4.408 -0.303 19849 4548 1 10 . 1 1 13 13 SER C C 13 176.285 176.285 175.799 0.486 19849 4549 1 10 . 1 1 13 13 SER CA C 13 61.032 61.032 60.983 0.049 19849 4550 1 10 . 1 1 13 13 SER CB C 13 63.045 63.045 63.607 -0.562 19849 4551 1 10 . 1 1 13 13 SER H H 13 8.022 8.022 7.694 0.328 19849 4552 1 10 . 1 1 14 14 LYS N N 14 116.028 116.028 120.561 -4.533 19849 4553 1 10 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.176 0.134 19849 4554 1 10 . 1 1 14 14 LYS C C 14 178.041 178.041 177.565 0.476 19849 4555 1 10 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.804 -0.962 19849 4556 1 10 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.203 0.654 19849 4557 1 10 . 1 1 14 14 LYS H H 14 7.466 7.466 8.224 -0.758 19849 4558 1 10 . 1 1 15 15 LEU N N 15 114.405 114.405 116.604 -2.199 19849 4559 1 10 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.444 -0.025 19849 4560 1 10 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.298 0.626 19849 4561 1 10 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.276 -0.916 19849 4562 1 10 . 1 1 15 15 LEU H H 15 7.842 7.842 7.742 0.100 19849 4563 1 10 . 1 1 16 16 LYS N N 16 116.513 116.513 116.817 -0.304 19849 4564 1 10 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.173 -0.053 19849 4565 1 10 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.518 -0.221 19849 4566 1 10 . 1 1 16 16 LYS H H 16 7.421 7.421 7.404 0.017 19849 4567 1 10 . 1 1 17 17 PRO C C 17 177.159 177.159 175.618 1.541 19849 4568 1 10 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.136 -0.241 19849 4569 1 10 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.388 2.919 19849 4570 1 10 . 1 1 18 18 ILE N N 18 116.671 116.671 120.394 -3.723 19849 4571 1 10 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.179 0.115 19849 4572 1 10 . 1 1 18 18 ILE C C 18 175.085 175.085 176.392 -1.307 19849 4573 1 10 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.797 -0.770 19849 4574 1 10 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.436 0.580 19849 4575 1 10 . 1 1 18 18 ILE H H 18 7.917 7.917 8.083 -0.166 19849 4576 1 10 . 1 1 19 19 HIS N N 19 117.574 117.574 119.578 -2.004 19849 4577 1 10 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.677 -0.235 19849 4578 1 10 . 1 1 19 19 HIS C C 19 171.727 171.727 173.022 -1.295 19849 4579 1 10 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.535 0.840 19849 4580 1 10 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.720 1.839 19849 4581 1 10 . 1 1 19 19 HIS H H 19 6.968 6.968 7.835 -0.867 19849 4582 1 10 . 1 1 20 20 LEU N N 20 128.803 128.803 126.819 1.984 19849 4583 1 10 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.580 -0.774 19849 4584 1 10 . 1 1 20 20 LEU C C 20 173.636 173.636 176.431 -2.795 19849 4585 1 10 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.232 0.192 19849 4586 1 10 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.159 1.405 19849 4587 1 10 . 1 1 20 20 LEU H H 20 7.928 7.928 8.230 -0.302 19849 4588 1 10 . 1 1 21 21 GLU N N 21 125.639 125.639 123.819 1.820 19849 4589 1 10 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.541 -0.031 19849 4590 1 10 . 1 1 21 21 GLU C C 21 174.143 174.143 174.915 -0.772 19849 4591 1 10 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.428 0.281 19849 4592 1 10 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.864 1.729 19849 4593 1 10 . 1 1 21 21 GLU H H 21 8.703 8.703 8.357 0.346 19849 4594 1 10 . 1 1 22 22 VAL N N 22 126.675 126.675 121.116 5.559 19849 4595 1 10 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.875 -0.258 19849 4596 1 10 . 1 1 22 22 VAL C C 22 173.843 173.843 174.373 -0.530 19849 4597 1 10 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.357 1.002 19849 4598 1 10 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.683 0.988 19849 4599 1 10 . 1 1 22 22 VAL H H 22 8.936 8.936 8.641 0.295 19849 4600 1 10 . 1 1 23 23 ILE N N 23 126.078 126.078 127.622 -1.544 19849 4601 1 10 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.421 0.052 19849 4602 1 10 . 1 1 23 23 ILE C C 23 175.007 175.007 174.946 0.061 19849 4603 1 10 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.934 -0.488 19849 4604 1 10 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.241 2.996 19849 4605 1 10 . 1 1 23 23 ILE H H 23 9.099 9.099 8.471 0.628 19849 4606 1 10 . 1 1 24 24 ASP N N 24 127.026 127.026 128.701 -1.675 19849 4607 1 10 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.676 -0.066 19849 4608 1 10 . 1 1 24 24 ASP C C 24 176.888 176.888 176.169 0.719 19849 4609 1 10 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.338 -1.474 19849 4610 1 10 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.298 -0.266 19849 4611 1 10 . 1 1 24 24 ASP H H 24 9.152 9.152 8.823 0.329 19849 4612 1 10 . 1 1 25 25 ILE N N 25 123.148 123.148 127.081 -3.933 19849 4613 1 10 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.195 0.397 19849 4614 1 10 . 1 1 25 25 ILE C C 25 175.765 175.765 176.505 -0.740 19849 4615 1 10 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.795 -0.684 19849 4616 1 10 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.591 -1.678 19849 4617 1 10 . 1 1 25 25 ILE H H 25 7.915 7.915 8.053 -0.138 19849 4618 1 10 . 1 1 26 26 SER N N 26 119.373 119.373 114.554 4.819 19849 4619 1 10 . 1 1 26 26 SER HA H 26 4.520 4.520 4.573 -0.053 19849 4620 1 10 . 1 1 26 26 SER C C 26 175.488 175.488 174.741 0.747 19849 4621 1 10 . 1 1 26 26 SER CA C 26 58.030 58.030 58.480 -0.451 19849 4622 1 10 . 1 1 26 26 SER CB C 26 64.605 64.605 64.992 -0.387 19849 4623 1 10 . 1 1 26 26 SER H H 26 9.175 9.175 8.508 0.667 19849 4624 1 10 . 1 1 27 27 GLY N N 27 111.902 111.902 109.856 2.046 19849 4625 1 10 . 1 1 27 27 GLY C C 27 175.418 175.418 173.573 1.845 19849 4626 1 10 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.590 0.846 19849 4627 1 10 . 1 1 27 27 GLY H H 27 8.417 8.417 8.029 0.388 19849 4628 1 10 . 1 1 28 28 GLY N N 28 106.936 106.936 108.174 -1.238 19849 4629 1 10 . 1 1 28 28 GLY C C 28 177.627 177.627 174.860 2.767 19849 4630 1 10 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.550 0.078 19849 4631 1 10 . 1 1 28 28 GLY H H 28 7.864 7.864 8.271 -0.407 19849 4632 1 10 . 1 1 29 29 CYS N N 29 116.829 116.829 118.034 -1.205 19849 4633 1 10 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.445 -0.082 19849 4634 1 10 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.097 0.343 19849 4635 1 10 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.415 -0.557 19849 4636 1 10 . 1 1 29 29 CYS H H 29 7.380 7.380 7.821 -0.441 19849 4637 1 10 . 1 1 30 30 GLY N N 30 111.626 111.626 108.030 3.596 19849 4638 1 10 . 1 1 30 30 GLY C C 30 173.383 173.383 174.201 -0.818 19849 4639 1 10 . 1 1 30 30 GLY CA C 30 46.086 46.086 45.028 1.058 19849 4640 1 10 . 1 1 30 30 GLY H H 30 8.965 8.965 7.970 0.995 19849 4641 1 10 . 1 1 31 31 SER N N 31 111.735 111.735 118.180 -6.445 19849 4642 1 10 . 1 1 31 31 SER HA H 31 4.639 4.639 3.974 0.665 19849 4643 1 10 . 1 1 31 31 SER C C 31 174.246 174.246 173.608 0.638 19849 4644 1 10 . 1 1 31 31 SER CA C 31 58.203 58.203 59.711 -1.508 19849 4645 1 10 . 1 1 31 31 SER CB C 31 64.459 64.459 63.059 1.400 19849 4646 1 10 . 1 1 31 31 SER H H 31 8.220 8.220 7.873 0.347 19849 4647 1 10 . 1 1 32 32 SER N N 32 116.259 116.259 122.131 -5.872 19849 4648 1 10 . 1 1 32 32 SER HA H 32 5.346 5.346 4.809 0.537 19849 4649 1 10 . 1 1 32 32 SER C C 32 176.363 176.363 172.611 3.752 19849 4650 1 10 . 1 1 32 32 SER CA C 32 57.400 57.400 57.491 -0.091 19849 4651 1 10 . 1 1 32 32 SER CB C 32 62.866 62.866 64.453 -1.587 19849 4652 1 10 . 1 1 32 32 SER H H 32 7.253 7.253 8.126 -0.873 19849 4653 1 10 . 1 1 33 33 PHE N N 33 118.533 118.533 123.328 -4.795 19849 4654 1 10 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.970 0.686 19849 4655 1 10 . 1 1 33 33 PHE C C 33 174.163 174.163 175.286 -1.123 19849 4656 1 10 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.375 0.007 19849 4657 1 10 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.109 3.341 19849 4658 1 10 . 1 1 33 33 PHE H H 33 7.995 7.995 9.178 -1.183 19849 4659 1 10 . 1 1 34 34 GLU N N 34 122.301 122.301 124.599 -2.298 19849 4660 1 10 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.830 0.730 19849 4661 1 10 . 1 1 34 34 GLU C C 34 175.902 175.902 176.313 -0.411 19849 4662 1 10 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.326 -0.950 19849 4663 1 10 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.454 4.089 19849 4664 1 10 . 1 1 34 34 GLU H H 34 9.436 9.436 8.461 0.975 19849 4665 1 10 . 1 1 35 35 VAL N N 35 118.350 118.350 120.169 -1.819 19849 4666 1 10 . 1 1 35 35 VAL HA H 35 5.369 5.369 5.045 0.324 19849 4667 1 10 . 1 1 35 35 VAL C C 35 174.616 174.616 174.965 -0.349 19849 4668 1 10 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.316 0.048 19849 4669 1 10 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.562 1.616 19849 4670 1 10 . 1 1 35 35 VAL H H 35 8.784 8.784 9.014 -0.230 19849 4671 1 10 . 1 1 36 36 GLU N N 36 123.537 123.537 125.027 -1.490 19849 4672 1 10 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.702 0.267 19849 4673 1 10 . 1 1 36 36 GLU C C 36 174.745 174.745 175.053 -0.308 19849 4674 1 10 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.335 -0.144 19849 4675 1 10 . 1 1 36 36 GLU CB C 36 33.086 33.086 32.541 0.544 19849 4676 1 10 . 1 1 36 36 GLU H H 36 8.859 8.859 8.087 0.772 19849 4677 1 10 . 1 1 37 37 VAL N N 37 120.272 120.272 124.763 -4.491 19849 4678 1 10 . 1 1 37 37 VAL HA H 37 4.612 4.612 4.986 -0.374 19849 4679 1 10 . 1 1 37 37 VAL C C 37 172.679 172.679 174.443 -1.764 19849 4680 1 10 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.474 -0.183 19849 4681 1 10 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.484 0.537 19849 4682 1 10 . 1 1 37 37 VAL H H 37 8.497 8.497 9.206 -0.709 19849 4683 1 10 . 1 1 38 38 VAL N N 38 127.971 127.971 127.752 0.219 19849 4684 1 10 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.350 -0.093 19849 4685 1 10 . 1 1 38 38 VAL C C 38 175.842 175.842 174.811 1.031 19849 4686 1 10 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.313 -0.839 19849 4687 1 10 . 1 1 38 38 VAL CB C 38 33.115 33.115 31.431 1.684 19849 4688 1 10 . 1 1 38 38 VAL H H 38 8.169 8.169 8.243 -0.074 19849 4689 1 10 . 1 1 39 39 SER N N 39 117.426 117.426 119.294 -1.868 19849 4690 1 10 . 1 1 39 39 SER HA H 39 4.821 4.821 4.715 0.106 19849 4691 1 10 . 1 1 39 39 SER C C 39 175.323 175.323 174.259 1.064 19849 4692 1 10 . 1 1 39 39 SER CA C 39 55.888 55.888 55.740 0.148 19849 4693 1 10 . 1 1 39 39 SER CB C 39 64.183 64.183 65.617 -1.434 19849 4694 1 10 . 1 1 39 39 SER H H 39 8.304 8.304 7.793 0.511 19849 4695 1 10 . 1 1 40 40 GLU N N 40 131.571 131.571 123.777 7.794 19849 4696 1 10 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.019 0.100 19849 4697 1 10 . 1 1 40 40 GLU C C 40 177.887 177.887 176.979 0.908 19849 4698 1 10 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.617 0.064 19849 4699 1 10 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.154 0.476 19849 4700 1 10 . 1 1 40 40 GLU H H 40 9.911 9.911 9.006 0.905 19849 4701 1 10 . 1 1 41 41 GLN N N 41 117.534 117.534 117.633 -0.099 19849 4702 1 10 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.198 -0.214 19849 4703 1 10 . 1 1 41 41 GLN C C 41 176.391 176.391 175.449 0.942 19849 4704 1 10 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.116 0.327 19849 4705 1 10 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.927 -0.024 19849 4706 1 10 . 1 1 41 41 GLN H H 41 8.219 8.219 7.830 0.389 19849 4707 1 10 . 1 1 42 42 PHE N N 42 113.224 113.224 115.452 -2.228 19849 4708 1 10 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.745 -0.219 19849 4709 1 10 . 1 1 42 42 PHE C C 42 175.064 175.064 175.017 0.047 19849 4710 1 10 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.252 -0.113 19849 4711 1 10 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.895 -1.258 19849 4712 1 10 . 1 1 42 42 PHE H H 42 6.894 6.894 7.901 -1.007 19849 4713 1 10 . 1 1 43 43 GLU N N 43 121.136 121.136 121.829 -0.693 19849 4714 1 10 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.401 -0.434 19849 4715 1 10 . 1 1 43 43 GLU CA C 43 58.361 58.361 55.650 2.711 19849 4716 1 10 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.648 0.587 19849 4717 1 10 . 1 1 43 43 GLU H H 43 7.469 7.469 7.468 0.001 19849 4718 1 10 . 1 1 44 44 GLY N N 44 114.819 114.819 116.695 -1.876 19849 4719 1 10 . 1 1 44 44 GLY C C 44 174.101 174.101 174.504 -0.403 19849 4720 1 10 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.218 -0.593 19849 4721 1 10 . 1 1 44 44 GLY H H 44 9.014 9.014 8.623 0.391 19849 4722 1 10 . 1 1 45 45 LYS N N 45 118.678 118.678 120.152 -1.474 19849 4723 1 10 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.556 0.133 19849 4724 1 10 . 1 1 45 45 LYS C C 45 177.858 177.858 176.741 1.117 19849 4725 1 10 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.966 -1.405 19849 4726 1 10 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.466 -0.025 19849 4727 1 10 . 1 1 45 45 LYS H H 45 7.932 7.932 7.426 0.506 19849 4728 1 10 . 1 1 46 46 ARG N N 46 125.430 125.430 122.067 3.363 19849 4729 1 10 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.363 -0.070 19849 4730 1 10 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.866 -0.087 19849 4731 1 10 . 1 1 46 46 ARG H H 46 9.288 9.288 8.691 0.597 19849 4732 1 10 . 1 1 47 47 LEU N N 47 124.205 124.205 124.771 -0.566 19849 4733 1 10 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.784 -0.082 19849 4734 1 10 . 1 1 47 47 LEU C C 47 178.476 178.476 179.046 -0.570 19849 4735 1 10 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.597 2.092 19849 4736 1 10 . 1 1 47 47 LEU H H 47 8.320 8.320 8.922 -0.602 19849 4737 1 10 . 1 1 48 48 LEU N N 48 115.874 115.874 119.336 -3.462 19849 4738 1 10 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.243 -0.471 19849 4739 1 10 . 1 1 48 48 LEU C C 48 179.985 179.985 178.687 1.298 19849 4740 1 10 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.959 0.664 19849 4741 1 10 . 1 1 48 48 LEU H H 48 8.587 8.587 8.233 0.354 19849 4742 1 10 . 1 1 49 49 GLU N N 49 118.216 118.216 118.364 -0.148 19849 4743 1 10 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.985 0.123 19849 4744 1 10 . 1 1 49 49 GLU C C 49 177.944 177.944 179.066 -1.122 19849 4745 1 10 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.003 -0.585 19849 4746 1 10 . 1 1 49 49 GLU H H 49 6.964 6.964 7.960 -0.996 19849 4747 1 10 . 1 1 50 50 ARG N N 50 119.674 119.674 121.327 -1.653 19849 4748 1 10 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.344 -0.427 19849 4749 1 10 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.598 -0.524 19849 4750 1 10 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.010 -0.999 19849 4751 1 10 . 1 1 50 50 ARG H H 50 7.991 7.991 8.441 -0.450 19849 4752 1 10 . 1 1 51 51 HIS N N 51 117.056 117.056 117.856 -0.800 19849 4753 1 10 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.424 -0.428 19849 4754 1 10 . 1 1 51 51 HIS C C 51 176.638 176.638 177.955 -1.317 19849 4755 1 10 . 1 1 51 51 HIS H H 51 8.294 8.294 8.075 0.219 19849 4756 1 10 . 1 1 52 52 ARG N N 52 120.626 120.626 119.966 0.660 19849 4757 1 10 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.150 0.068 19849 4758 1 10 . 1 1 52 52 ARG C C 52 179.014 179.014 177.734 1.280 19849 4759 1 10 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.453 1.539 19849 4760 1 10 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.136 -0.577 19849 4761 1 10 . 1 1 52 52 ARG H H 52 8.001 8.001 8.435 -0.434 19849 4762 1 10 . 1 1 53 53 MET N N 53 119.087 119.087 117.686 1.401 19849 4763 1 10 . 1 1 53 53 MET HA H 53 4.006 4.006 4.468 -0.462 19849 4764 1 10 . 1 1 53 53 MET C C 53 179.286 179.286 177.881 1.405 19849 4765 1 10 . 1 1 53 53 MET CA C 53 59.404 59.404 57.300 2.103 19849 4766 1 10 . 1 1 53 53 MET CB C 53 34.976 34.976 32.813 2.163 19849 4767 1 10 . 1 1 53 53 MET H H 53 8.162 8.162 7.677 0.485 19849 4768 1 10 . 1 1 54 54 VAL N N 54 120.886 120.886 119.896 0.990 19849 4769 1 10 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.662 -0.237 19849 4770 1 10 . 1 1 54 54 VAL C C 54 176.296 176.296 177.488 -1.192 19849 4771 1 10 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.350 0.483 19849 4772 1 10 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.328 -0.884 19849 4773 1 10 . 1 1 54 54 VAL H H 54 7.790 7.790 7.795 -0.005 19849 4774 1 10 . 1 1 55 55 ASN N N 55 116.881 116.881 117.401 -0.520 19849 4775 1 10 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.513 -0.500 19849 4776 1 10 . 1 1 55 55 ASN C C 55 178.422 178.422 176.610 1.812 19849 4777 1 10 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.178 1.950 19849 4778 1 10 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.470 0.397 19849 4779 1 10 . 1 1 55 55 ASN H H 55 8.032 8.032 8.189 -0.157 19849 4780 1 10 . 1 1 56 56 ALA N N 56 121.164 121.164 122.849 -1.685 19849 4781 1 10 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.155 -0.072 19849 4782 1 10 . 1 1 56 56 ALA C C 56 180.700 180.700 178.673 2.027 19849 4783 1 10 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.527 0.073 19849 4784 1 10 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.060 0.202 19849 4785 1 10 . 1 1 56 56 ALA H H 56 8.578 8.578 7.792 0.786 19849 4786 1 10 . 1 1 57 57 ALA N N 57 121.156 121.156 119.182 1.974 19849 4787 1 10 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.411 -0.379 19849 4788 1 10 . 1 1 57 57 ALA C C 57 177.240 177.240 177.137 0.103 19849 4789 1 10 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.871 0.216 19849 4790 1 10 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.060 -0.598 19849 4791 1 10 . 1 1 57 57 ALA H H 57 7.609 7.609 7.542 0.067 19849 4792 1 10 . 1 1 58 58 LEU N N 58 116.065 116.065 115.894 0.171 19849 4793 1 10 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.979 -0.084 19849 4794 1 10 . 1 1 58 58 LEU C C 58 176.446 176.446 177.571 -1.125 19849 4795 1 10 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.713 -2.192 19849 4796 1 10 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.995 -0.242 19849 4797 1 10 . 1 1 58 58 LEU H H 58 6.995 6.995 7.728 -0.733 19849 4798 1 10 . 1 1 59 59 GLU N N 59 120.288 120.288 121.823 -1.535 19849 4799 1 10 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.000 -0.226 19849 4800 1 10 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.823 0.913 19849 4801 1 10 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.274 0.733 19849 4802 1 10 . 1 1 59 59 GLU H H 59 7.034 7.034 8.242 -1.208 19849 4803 1 10 . 1 1 60 60 GLU N N 60 116.322 116.322 117.993 -1.671 19849 4804 1 10 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.097 -0.067 19849 4805 1 10 . 1 1 60 60 GLU C C 60 179.270 179.270 178.073 1.197 19849 4806 1 10 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.036 -0.343 19849 4807 1 10 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.259 1.057 19849 4808 1 10 . 1 1 60 60 GLU H H 60 8.622 8.622 8.672 -0.050 19849 4809 1 10 . 1 1 61 61 GLU N N 61 121.506 121.506 119.678 1.828 19849 4810 1 10 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.097 -0.207 19849 4811 1 10 . 1 1 61 61 GLU C C 61 179.010 179.010 178.324 0.686 19849 4812 1 10 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.172 1.790 19849 4813 1 10 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.165 -0.690 19849 4814 1 10 . 1 1 61 61 GLU H H 61 8.946 8.946 8.147 0.799 19849 4815 1 10 . 1 1 62 62 MET N N 62 116.213 116.213 116.553 -0.340 19849 4816 1 10 . 1 1 62 62 MET HA H 62 4.312 4.312 4.226 0.086 19849 4817 1 10 . 1 1 62 62 MET CA C 62 56.302 56.302 58.811 -2.509 19849 4818 1 10 . 1 1 62 62 MET CB C 62 30.553 30.553 32.808 -2.255 19849 4819 1 10 . 1 1 62 62 MET H H 62 8.693 8.693 8.080 0.613 19849 4820 1 10 . 1 1 63 63 LYS N N 63 116.969 116.969 115.193 1.776 19849 4821 1 10 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.265 -0.180 19849 4822 1 10 . 1 1 63 63 LYS C C 63 177.541 177.541 177.522 0.019 19849 4823 1 10 . 1 1 63 63 LYS CA C 63 58.728 58.728 56.777 1.951 19849 4824 1 10 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.023 0.502 19849 4825 1 10 . 1 1 63 63 LYS H H 63 7.470 7.470 7.583 -0.113 19849 4826 1 10 . 1 1 64 64 GLU N N 64 115.556 115.556 118.194 -2.638 19849 4827 1 10 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.364 0.101 19849 4828 1 10 . 1 1 64 64 GLU C C 64 175.679 175.679 176.708 -1.029 19849 4829 1 10 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.621 -1.018 19849 4830 1 10 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.118 1.152 19849 4831 1 10 . 1 1 64 64 GLU H H 64 7.773 7.773 7.671 0.102 19849 4832 1 10 . 1 1 65 65 ILE N N 65 120.461 120.461 114.083 6.378 19849 4833 1 10 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.455 -0.376 19849 4834 1 10 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.275 2.433 19849 4835 1 10 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.617 0.465 19849 4836 1 10 . 1 1 65 65 ILE H H 65 7.502 7.502 7.496 0.006 19849 4837 1 10 . 1 1 66 66 HIS N N 66 125.683 125.683 119.717 5.966 19849 4838 1 10 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.708 -0.163 19849 4839 1 10 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.478 2.205 19849 4840 1 10 . 1 1 66 66 HIS CB C 66 30.277 30.277 32.276 -1.999 19849 4841 1 10 . 1 1 66 66 HIS H H 66 9.196 9.196 8.116 1.080 19849 4842 1 10 . 1 1 67 67 ALA N N 67 120.229 120.229 120.353 -0.124 19849 4843 1 10 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.329 0.095 19849 4844 1 10 . 1 1 67 67 ALA C C 67 173.834 173.834 175.045 -1.211 19849 4845 1 10 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.465 -0.317 19849 4846 1 10 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.778 0.663 19849 4847 1 10 . 1 1 67 67 ALA H H 67 7.493 7.493 7.735 -0.242 19849 4848 1 10 . 1 1 68 68 LEU N N 68 124.546 124.546 124.409 0.137 19849 4849 1 10 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.397 -0.403 19849 4850 1 10 . 1 1 68 68 LEU C C 68 175.157 175.157 176.317 -1.160 19849 4851 1 10 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.535 -1.344 19849 4852 1 10 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.328 -0.560 19849 4853 1 10 . 1 1 68 68 LEU H H 68 8.557 8.557 8.572 -0.015 19849 4854 1 10 . 1 1 69 69 SER N N 69 122.077 122.077 122.534 -0.457 19849 4855 1 10 . 1 1 69 69 SER HA H 69 4.677 4.677 4.727 -0.050 19849 4856 1 10 . 1 1 69 69 SER C C 69 173.548 173.548 173.441 0.107 19849 4857 1 10 . 1 1 69 69 SER CA C 69 55.803 55.803 57.675 -1.872 19849 4858 1 10 . 1 1 69 69 SER CB C 69 63.549 63.549 63.735 -0.186 19849 4859 1 10 . 1 1 69 69 SER H H 69 8.854 8.854 9.194 -0.340 19849 4860 1 10 . 1 1 70 70 ILE N N 70 129.143 129.143 129.207 -0.064 19849 4861 1 10 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.441 -0.335 19849 4862 1 10 . 1 1 70 70 ILE C C 70 175.059 175.059 175.546 -0.487 19849 4863 1 10 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.642 -0.009 19849 4864 1 10 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.564 -1.137 19849 4865 1 10 . 1 1 70 70 ILE H H 70 8.922 8.922 8.699 0.223 19849 4866 1 10 . 1 1 71 71 LYS N N 71 130.019 130.019 127.028 2.991 19849 4867 1 10 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.165 -0.093 19849 4868 1 10 . 1 1 71 71 LYS C C 71 177.201 177.201 177.192 0.009 19849 4869 1 10 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.603 -0.665 19849 4870 1 10 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.683 0.743 19849 4871 1 10 . 1 1 71 71 LYS H H 71 8.676 8.676 8.607 0.069 19849 4872 1 10 . 1 1 72 72 LYS N N 72 113.659 113.659 118.968 -5.309 19849 4873 1 10 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.526 -0.051 19849 4874 1 10 . 1 1 72 72 LYS C C 72 174.013 174.013 174.135 -0.122 19849 4875 1 10 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.664 0.300 19849 4876 1 10 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.231 2.463 19849 4877 1 10 . 1 1 72 72 LYS H H 72 7.195 7.195 7.530 -0.335 19849 4878 1 10 . 1 1 73 73 ALA N N 73 129.019 129.019 128.901 0.118 19849 4879 1 10 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.801 0.401 19849 4880 1 10 . 1 1 73 73 ALA C C 73 175.410 175.410 175.583 -0.173 19849 4881 1 10 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.244 0.704 19849 4882 1 10 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.230 -1.542 19849 4883 1 10 . 1 1 73 73 ALA H H 73 8.847 8.847 8.731 0.116 19849 4884 1 10 . 1 1 74 74 GLN N N 74 120.993 120.993 123.147 -2.154 19849 4885 1 10 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.777 0.069 19849 4886 1 10 . 1 1 74 74 GLN C C 74 175.603 175.603 174.444 1.159 19849 4887 1 10 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.520 0.253 19849 4888 1 10 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.404 0.551 19849 4889 1 10 . 1 1 74 74 GLN H H 74 8.398 8.398 8.364 0.033 19849 4890 1 10 . 1 1 75 75 THR N N 75 111.917 111.917 112.562 -0.645 19849 4891 1 10 . 1 1 75 75 THR HA H 75 4.866 4.866 4.929 -0.063 19849 4892 1 10 . 1 1 75 75 THR CA C 75 59.600 59.600 57.832 1.768 19849 4893 1 10 . 1 1 75 75 THR H H 75 8.920 8.920 8.727 0.193 19849 4894 1 10 . 1 1 76 76 PRO C C 76 177.659 177.659 177.593 0.066 19849 4895 1 10 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.130 1.313 19849 4896 1 10 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.584 0.292 19849 4897 1 10 . 1 1 77 77 GLN N N 77 114.329 114.329 118.208 -3.879 19849 4898 1 10 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.144 -0.078 19849 4899 1 10 . 1 1 77 77 GLN C C 77 177.630 177.630 176.961 0.669 19849 4900 1 10 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.472 0.180 19849 4901 1 10 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.925 0.312 19849 4902 1 10 . 1 1 77 77 GLN H H 77 8.481 8.481 8.463 0.018 19849 4903 1 10 . 1 1 78 78 GLN N N 78 116.831 116.831 117.522 -0.691 19849 4904 1 10 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.401 -0.308 19849 4905 1 10 . 1 1 78 78 GLN C C 78 176.403 176.403 177.071 -0.668 19849 4906 1 10 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.216 0.077 19849 4907 1 10 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.244 1.730 19849 4908 1 10 . 1 1 78 78 GLN H H 78 7.503 7.503 7.917 -0.414 19849 4909 1 10 . 1 1 79 79 TRP N N 79 120.561 120.561 120.020 0.541 19849 4910 1 10 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.340 0.047 19849 4911 1 10 . 1 1 79 79 TRP C C 79 175.429 175.429 176.443 -1.014 19849 4912 1 10 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.687 -1.126 19849 4913 1 10 . 1 1 79 79 TRP CB C 79 30.914 30.914 30.440 0.474 19849 4914 1 10 . 1 1 79 79 TRP H H 79 7.668 7.668 8.360 -0.692 19849 4915 1 10 . 1 1 80 80 LYS N N 80 120.883 120.883 114.321 6.562 19849 4916 1 10 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.126 0.074 19849 4917 1 10 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.101 -4.063 19849 4918 1 10 . 1 1 80 80 LYS H H 80 7.768 7.768 7.599 0.169 19849 4919 1 10 . 1 1 82 82 PRO C C 82 176.919 176.919 176.109 0.810 19849 4920 1 10 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.716 -0.776 19849 4921 1 10 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.877 0.149 19849 4922 1 10 . 1 1 83 83 SER N N 83 115.592 115.592 118.990 -3.398 19849 4923 1 10 . 1 1 83 83 SER HA H 83 4.315 4.315 4.467 -0.152 19849 4924 1 10 . 1 1 83 83 SER C C 83 174.665 174.665 173.706 0.959 19849 4925 1 10 . 1 1 83 83 SER CA C 83 58.162 58.162 58.315 -0.153 19849 4926 1 10 . 1 1 83 83 SER CB C 83 63.831 63.831 63.316 0.514 19849 4927 1 10 . 1 1 83 83 SER H H 83 8.264 8.264 8.315 -0.051 19849 4928 1 10 . 1 1 84 84 GLN N N 84 122.131 122.131 119.657 2.474 19849 4929 1 10 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.243 0.046 19849 4930 1 10 . 1 1 84 84 GLN C C 84 175.598 175.598 176.198 -0.600 19849 4931 1 10 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.083 -1.232 19849 4932 1 10 . 1 1 84 84 GLN CB C 84 29.619 29.619 27.737 1.882 19849 4933 1 10 . 1 1 84 84 GLN H H 84 8.430 8.430 7.928 0.502 19849 4934 1 10 . 1 1 85 85 ASP N N 85 121.550 121.550 117.252 4.298 19849 4935 1 10 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.618 -0.084 19849 4936 1 10 . 1 1 85 85 ASP C C 85 176.431 176.431 177.906 -1.475 19849 4937 1 10 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.287 -0.863 19849 4938 1 10 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.877 0.393 19849 4939 1 10 . 1 1 85 85 ASP H H 85 8.307 8.307 8.132 0.175 19849 4940 1 10 . 1 1 86 86 SER N N 86 116.617 116.617 115.806 0.811 19849 4941 1 10 . 1 1 86 86 SER HA H 86 4.316 4.316 4.363 -0.047 19849 4942 1 10 . 1 1 86 86 SER C C 86 174.590 174.590 174.620 -0.030 19849 4943 1 10 . 1 1 86 86 SER CA C 86 58.797 58.797 59.894 -1.097 19849 4944 1 10 . 1 1 86 86 SER CB C 86 63.667 63.667 63.675 -0.008 19849 4945 1 10 . 1 1 86 86 SER H H 86 8.231 8.231 7.936 0.295 19849 4946 1 10 . 1 1 87 87 ALA N N 87 125.663 125.663 120.492 5.171 19849 4947 1 10 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.593 -0.303 19849 4948 1 10 . 1 1 87 87 ALA C C 87 178.018 178.018 176.861 1.157 19849 4949 1 10 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.049 0.903 19849 4950 1 10 . 1 1 87 87 ALA CB C 87 19.117 19.117 19.453 -0.336 19849 4951 1 10 . 1 1 87 87 ALA H H 87 8.312 8.312 7.685 0.627 19849 4952 1 10 . 1 1 88 88 THR N N 88 112.987 112.987 114.975 -1.988 19849 4953 1 10 . 1 1 88 88 THR HA H 88 4.221 4.221 4.270 -0.049 19849 4954 1 10 . 1 1 88 88 THR C C 88 174.488 174.488 175.143 -0.655 19849 4955 1 10 . 1 1 88 88 THR CA C 88 62.115 62.115 63.873 -1.758 19849 4956 1 10 . 1 1 88 88 THR CB C 88 69.626 69.626 68.366 1.260 19849 4957 1 10 . 1 1 88 88 THR H H 88 7.997 7.997 7.950 0.047 19849 4958 1 10 . 1 1 89 89 LEU N N 89 124.655 124.655 117.302 7.353 19849 4959 1 10 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.595 -0.239 19849 4960 1 10 . 1 1 89 89 LEU C C 89 177.367 177.367 176.803 0.564 19849 4961 1 10 . 1 1 89 89 LEU CA C 89 55.263 55.263 54.857 0.406 19849 4962 1 10 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.335 -0.843 19849 4963 1 10 . 1 1 89 89 LEU H H 89 8.119 8.119 7.650 0.469 19849 4964 1 10 . 1 1 90 90 THR N N 90 115.527 115.527 112.759 2.768 19849 4965 1 10 . 1 1 90 90 THR HA H 90 4.261 4.261 4.433 -0.172 19849 4966 1 10 . 1 1 90 90 THR CA C 90 61.707 61.707 63.720 -2.013 19849 4967 1 10 . 1 1 90 90 THR CB C 90 69.825 69.825 70.473 -0.648 19849 4968 1 10 . 1 1 90 90 THR H H 90 8.086 8.086 7.505 0.582 19849 4969 1 10 . 1 1 91 91 LYS N N 91 123.923 123.923 119.090 4.833 19849 4970 1 10 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.429 -0.136 19849 4971 1 10 . 1 1 91 91 LYS C C 91 175.949 175.949 176.369 -0.420 19849 4972 1 10 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.722 -0.558 19849 4973 1 10 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.992 -0.733 19849 4974 1 10 . 1 1 91 91 LYS H H 91 8.272 8.272 7.862 0.410 19849 4975 1 10 . 1 1 92 92 ASP N N 92 122.237 122.237 120.303 1.934 19849 4976 1 10 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.480 0.030 19849 4977 1 10 . 1 1 92 92 ASP C C 92 174.733 174.733 175.820 -1.087 19849 4978 1 10 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.308 0.227 19849 4979 1 10 . 1 1 92 92 ASP CB C 92 41.111 41.111 41.270 -0.159 19849 4980 1 10 . 1 1 92 92 ASP H H 92 8.340 8.340 8.228 0.112 19849 4981 1 11 . 1 1 2 2 VAL N N 2 120.462 120.462 120.874 -0.412 19849 4982 1 11 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.536 -0.028 19849 4983 1 11 . 1 1 2 2 VAL C C 2 174.797 174.797 173.772 1.025 19849 4984 1 11 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.762 -0.477 19849 4985 1 11 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.041 -1.220 19849 4986 1 11 . 1 1 2 2 VAL H H 2 8.729 8.729 8.293 0.436 19849 4987 1 11 . 1 1 3 3 THR N N 3 113.531 113.531 114.513 -0.982 19849 4988 1 11 . 1 1 3 3 THR HA H 3 4.794 4.794 4.841 -0.047 19849 4989 1 11 . 1 1 3 3 THR C C 3 175.419 175.419 174.955 0.464 19849 4990 1 11 . 1 1 3 3 THR CA C 3 59.466 59.466 60.741 -1.275 19849 4991 1 11 . 1 1 3 3 THR H H 3 7.740 7.740 8.061 -0.321 19849 4992 1 11 . 1 1 4 4 LYS N N 4 121.981 121.981 121.941 0.040 19849 4993 1 11 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.797 -0.360 19849 4994 1 11 . 1 1 4 4 LYS C C 4 177.186 177.186 177.586 -0.400 19849 4995 1 11 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.799 0.917 19849 4996 1 11 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.201 1.009 19849 4997 1 11 . 1 1 4 4 LYS H H 4 9.168 9.168 8.949 0.219 19849 4998 1 11 . 1 1 5 5 GLU N N 5 117.723 117.723 117.065 0.658 19849 4999 1 11 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.133 -0.081 19849 5000 1 11 . 1 1 5 5 GLU C C 5 179.351 179.351 178.647 0.704 19849 5001 1 11 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.189 1.319 19849 5002 1 11 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.032 -0.638 19849 5003 1 11 . 1 1 5 5 GLU H H 5 8.835 8.835 8.738 0.097 19849 5004 1 11 . 1 1 6 6 GLN N N 6 122.133 122.133 118.407 3.726 19849 5005 1 11 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.195 -0.186 19849 5006 1 11 . 1 1 6 6 GLN C C 6 178.109 178.109 177.945 0.164 19849 5007 1 11 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.231 0.647 19849 5008 1 11 . 1 1 6 6 GLN CB C 6 28.873 28.873 27.966 0.907 19849 5009 1 11 . 1 1 6 6 GLN H H 6 7.867 7.867 7.637 0.230 19849 5010 1 11 . 1 1 7 7 VAL N N 7 120.130 120.130 121.748 -1.618 19849 5011 1 11 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.551 -0.414 19849 5012 1 11 . 1 1 7 7 VAL C C 7 177.807 177.807 178.061 -0.254 19849 5013 1 11 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.831 -0.318 19849 5014 1 11 . 1 1 7 7 VAL CB C 7 31.241 31.241 31.089 0.152 19849 5015 1 11 . 1 1 7 7 VAL H H 7 7.447 7.447 7.265 0.182 19849 5016 1 11 . 1 1 8 8 GLU N N 8 117.342 117.342 120.275 -2.933 19849 5017 1 11 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.916 -0.346 19849 5018 1 11 . 1 1 8 8 GLU C C 8 174.166 174.166 178.031 -3.865 19849 5019 1 11 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.544 0.155 19849 5020 1 11 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.091 0.753 19849 5021 1 11 . 1 1 8 8 GLU H H 8 8.529 8.529 8.249 0.280 19849 5022 1 11 . 1 1 9 9 ALA N N 9 124.344 124.344 120.110 4.234 19849 5023 1 11 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.285 0.135 19849 5024 1 11 . 1 1 9 9 ALA C C 9 177.996 177.996 179.423 -1.427 19849 5025 1 11 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.597 0.926 19849 5026 1 11 . 1 1 9 9 ALA H H 9 8.301 8.301 7.611 0.690 19849 5027 1 11 . 1 1 10 10 SER N N 10 117.198 117.198 115.280 1.918 19849 5028 1 11 . 1 1 10 10 SER HA H 10 4.374 4.374 4.161 0.213 19849 5029 1 11 . 1 1 10 10 SER C C 10 175.219 175.219 176.549 -1.330 19849 5030 1 11 . 1 1 10 10 SER CA C 10 62.207 62.207 61.455 0.752 19849 5031 1 11 . 1 1 10 10 SER H H 10 8.303 8.303 7.844 0.459 19849 5032 1 11 . 1 1 11 11 LEU N N 11 118.287 118.287 121.887 -3.600 19849 5033 1 11 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.094 -0.280 19849 5034 1 11 . 1 1 11 11 LEU C C 11 179.247 179.247 179.089 0.158 19849 5035 1 11 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.961 0.248 19849 5036 1 11 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.307 1.221 19849 5037 1 11 . 1 1 11 11 LEU H H 11 7.973 7.973 8.624 -0.651 19849 5038 1 11 . 1 1 12 12 THR N N 12 116.416 116.416 113.657 2.759 19849 5039 1 11 . 1 1 12 12 THR HA H 12 3.530 3.530 4.034 -0.504 19849 5040 1 11 . 1 1 12 12 THR C C 12 176.464 176.464 176.030 0.434 19849 5041 1 11 . 1 1 12 12 THR CA C 12 67.016 67.016 66.380 0.635 19849 5042 1 11 . 1 1 12 12 THR CB C 12 68.586 68.586 68.139 0.447 19849 5043 1 11 . 1 1 12 12 THR H H 12 8.440 8.440 7.982 0.458 19849 5044 1 11 . 1 1 13 13 SER N N 13 115.144 115.144 117.020 -1.876 19849 5045 1 11 . 1 1 13 13 SER HA H 13 4.105 4.105 4.420 -0.315 19849 5046 1 11 . 1 1 13 13 SER C C 13 176.285 176.285 175.408 0.877 19849 5047 1 11 . 1 1 13 13 SER CA C 13 61.032 61.032 60.910 0.122 19849 5048 1 11 . 1 1 13 13 SER CB C 13 63.045 63.045 63.487 -0.442 19849 5049 1 11 . 1 1 13 13 SER H H 13 8.022 8.022 7.520 0.502 19849 5050 1 11 . 1 1 14 14 LYS N N 14 116.028 116.028 119.866 -3.838 19849 5051 1 11 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.168 0.142 19849 5052 1 11 . 1 1 14 14 LYS C C 14 178.041 178.041 177.557 0.484 19849 5053 1 11 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.576 -0.734 19849 5054 1 11 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.044 0.813 19849 5055 1 11 . 1 1 14 14 LYS H H 14 7.466 7.466 7.786 -0.320 19849 5056 1 11 . 1 1 15 15 LEU N N 15 114.405 114.405 117.594 -3.189 19849 5057 1 11 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.381 0.038 19849 5058 1 11 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.879 0.045 19849 5059 1 11 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.406 -1.046 19849 5060 1 11 . 1 1 15 15 LEU H H 15 7.842 7.842 8.097 -0.255 19849 5061 1 11 . 1 1 16 16 LYS N N 16 116.513 116.513 116.503 0.010 19849 5062 1 11 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.175 -0.055 19849 5063 1 11 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.386 -0.089 19849 5064 1 11 . 1 1 16 16 LYS H H 16 7.421 7.421 7.510 -0.089 19849 5065 1 11 . 1 1 17 17 PRO C C 17 177.159 177.159 175.701 1.458 19849 5066 1 11 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.650 -0.755 19849 5067 1 11 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.143 3.164 19849 5068 1 11 . 1 1 18 18 ILE N N 18 116.671 116.671 120.815 -4.144 19849 5069 1 11 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.157 0.137 19849 5070 1 11 . 1 1 18 18 ILE C C 18 175.085 175.085 176.135 -1.050 19849 5071 1 11 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.030 -1.003 19849 5072 1 11 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.913 0.103 19849 5073 1 11 . 1 1 18 18 ILE H H 18 7.917 7.917 8.182 -0.265 19849 5074 1 11 . 1 1 19 19 HIS N N 19 117.574 117.574 119.517 -1.943 19849 5075 1 11 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.770 -0.328 19849 5076 1 11 . 1 1 19 19 HIS C C 19 171.727 171.727 172.900 -1.173 19849 5077 1 11 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.497 0.877 19849 5078 1 11 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.690 1.869 19849 5079 1 11 . 1 1 19 19 HIS H H 19 6.968 6.968 7.870 -0.902 19849 5080 1 11 . 1 1 20 20 LEU N N 20 128.803 128.803 125.825 2.978 19849 5081 1 11 . 1 1 20 20 LEU HA H 20 4.806 4.806 4.994 -0.188 19849 5082 1 11 . 1 1 20 20 LEU C C 20 173.636 173.636 175.647 -2.011 19849 5083 1 11 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.193 -0.769 19849 5084 1 11 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.530 1.034 19849 5085 1 11 . 1 1 20 20 LEU H H 20 7.928 7.928 8.233 -0.305 19849 5086 1 11 . 1 1 21 21 GLU N N 21 125.639 125.639 122.245 3.394 19849 5087 1 11 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.650 -0.140 19849 5088 1 11 . 1 1 21 21 GLU C C 21 174.143 174.143 174.994 -0.851 19849 5089 1 11 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.087 0.622 19849 5090 1 11 . 1 1 21 21 GLU CB C 21 33.593 33.593 32.099 1.494 19849 5091 1 11 . 1 1 21 21 GLU H H 21 8.703 8.703 8.295 0.408 19849 5092 1 11 . 1 1 22 22 VAL N N 22 126.675 126.675 123.990 2.685 19849 5093 1 11 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.698 -0.081 19849 5094 1 11 . 1 1 22 22 VAL C C 22 173.843 173.843 175.778 -1.935 19849 5095 1 11 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.685 0.674 19849 5096 1 11 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.713 0.958 19849 5097 1 11 . 1 1 22 22 VAL H H 22 8.936 8.936 8.123 0.812 19849 5098 1 11 . 1 1 23 23 ILE N N 23 126.078 126.078 127.138 -1.060 19849 5099 1 11 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.329 0.144 19849 5100 1 11 . 1 1 23 23 ILE C C 23 175.007 175.007 174.846 0.161 19849 5101 1 11 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.844 -0.398 19849 5102 1 11 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.067 3.170 19849 5103 1 11 . 1 1 23 23 ILE H H 23 9.099 9.099 8.805 0.294 19849 5104 1 11 . 1 1 24 24 ASP N N 24 127.026 127.026 129.055 -2.029 19849 5105 1 11 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.625 -0.015 19849 5106 1 11 . 1 1 24 24 ASP C C 24 176.888 176.888 176.392 0.496 19849 5107 1 11 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.221 -1.357 19849 5108 1 11 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.132 -0.100 19849 5109 1 11 . 1 1 24 24 ASP H H 24 9.152 9.152 8.678 0.474 19849 5110 1 11 . 1 1 25 25 ILE N N 25 123.148 123.148 127.299 -4.151 19849 5111 1 11 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.139 0.453 19849 5112 1 11 . 1 1 25 25 ILE C C 25 175.765 175.765 176.643 -0.878 19849 5113 1 11 . 1 1 25 25 ILE CA C 25 61.112 61.112 62.023 -0.911 19849 5114 1 11 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.407 -1.494 19849 5115 1 11 . 1 1 25 25 ILE H H 25 7.915 7.915 8.111 -0.196 19849 5116 1 11 . 1 1 26 26 SER N N 26 119.373 119.373 114.126 5.247 19849 5117 1 11 . 1 1 26 26 SER HA H 26 4.520 4.520 4.687 -0.167 19849 5118 1 11 . 1 1 26 26 SER C C 26 175.488 175.488 174.726 0.762 19849 5119 1 11 . 1 1 26 26 SER CA C 26 58.030 58.030 58.399 -0.369 19849 5120 1 11 . 1 1 26 26 SER CB C 26 64.605 64.605 65.233 -0.628 19849 5121 1 11 . 1 1 26 26 SER H H 26 9.175 9.175 8.419 0.756 19849 5122 1 11 . 1 1 27 27 GLY N N 27 111.902 111.902 109.229 2.673 19849 5123 1 11 . 1 1 27 27 GLY C C 27 175.418 175.418 173.243 2.175 19849 5124 1 11 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.688 0.747 19849 5125 1 11 . 1 1 27 27 GLY H H 27 8.417 8.417 7.919 0.498 19849 5126 1 11 . 1 1 28 28 GLY N N 28 106.936 106.936 107.061 -0.125 19849 5127 1 11 . 1 1 28 28 GLY C C 28 177.627 177.627 174.912 2.715 19849 5128 1 11 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.826 -0.198 19849 5129 1 11 . 1 1 28 28 GLY H H 28 7.864 7.864 8.271 -0.407 19849 5130 1 11 . 1 1 29 29 CYS N N 29 116.829 116.829 118.564 -1.735 19849 5131 1 11 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.486 -0.123 19849 5132 1 11 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.819 -0.379 19849 5133 1 11 . 1 1 29 29 CYS CB C 29 27.858 27.858 27.918 -0.060 19849 5134 1 11 . 1 1 29 29 CYS H H 29 7.380 7.380 7.891 -0.511 19849 5135 1 11 . 1 1 30 30 GLY N N 30 111.626 111.626 108.294 3.332 19849 5136 1 11 . 1 1 30 30 GLY C C 30 173.383 173.383 174.237 -0.854 19849 5137 1 11 . 1 1 30 30 GLY CA C 30 46.086 46.086 45.111 0.975 19849 5138 1 11 . 1 1 30 30 GLY H H 30 8.965 8.965 8.056 0.909 19849 5139 1 11 . 1 1 31 31 SER N N 31 111.735 111.735 118.250 -6.515 19849 5140 1 11 . 1 1 31 31 SER HA H 31 4.639 4.639 3.924 0.715 19849 5141 1 11 . 1 1 31 31 SER C C 31 174.246 174.246 173.587 0.659 19849 5142 1 11 . 1 1 31 31 SER CA C 31 58.203 58.203 59.657 -1.454 19849 5143 1 11 . 1 1 31 31 SER CB C 31 64.459 64.459 63.011 1.448 19849 5144 1 11 . 1 1 31 31 SER H H 31 8.220 8.220 7.848 0.372 19849 5145 1 11 . 1 1 32 32 SER N N 32 116.259 116.259 122.160 -5.901 19849 5146 1 11 . 1 1 32 32 SER HA H 32 5.346 5.346 4.694 0.652 19849 5147 1 11 . 1 1 32 32 SER C C 32 176.363 176.363 172.403 3.960 19849 5148 1 11 . 1 1 32 32 SER CA C 32 57.400 57.400 57.540 -0.140 19849 5149 1 11 . 1 1 32 32 SER CB C 32 62.866 62.866 64.658 -1.792 19849 5150 1 11 . 1 1 32 32 SER H H 32 7.253 7.253 8.304 -1.051 19849 5151 1 11 . 1 1 33 33 PHE N N 33 118.533 118.533 123.397 -4.864 19849 5152 1 11 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.994 0.662 19849 5153 1 11 . 1 1 33 33 PHE C C 33 174.163 174.163 175.058 -0.895 19849 5154 1 11 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.429 -0.047 19849 5155 1 11 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.374 2.076 19849 5156 1 11 . 1 1 33 33 PHE H H 33 7.995 7.995 9.094 -1.099 19849 5157 1 11 . 1 1 34 34 GLU N N 34 122.301 122.301 122.045 0.256 19849 5158 1 11 . 1 1 34 34 GLU HA H 34 5.560 5.560 5.133 0.427 19849 5159 1 11 . 1 1 34 34 GLU C C 34 175.902 175.902 175.523 0.379 19849 5160 1 11 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.079 -0.703 19849 5161 1 11 . 1 1 34 34 GLU CB C 34 33.543 33.543 32.224 1.319 19849 5162 1 11 . 1 1 34 34 GLU H H 34 9.436 9.436 8.614 0.822 19849 5163 1 11 . 1 1 35 35 VAL N N 35 118.350 118.350 125.960 -7.610 19849 5164 1 11 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.351 1.018 19849 5165 1 11 . 1 1 35 35 VAL C C 35 174.616 174.616 173.875 0.741 19849 5166 1 11 . 1 1 35 35 VAL CA C 35 59.364 59.364 60.559 -1.195 19849 5167 1 11 . 1 1 35 35 VAL CB C 35 36.178 36.178 33.793 2.385 19849 5168 1 11 . 1 1 35 35 VAL H H 35 8.784 8.784 8.664 0.120 19849 5169 1 11 . 1 1 36 36 GLU N N 36 123.537 123.537 128.912 -5.375 19849 5170 1 11 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.661 0.308 19849 5171 1 11 . 1 1 36 36 GLU C C 36 174.745 174.745 175.214 -0.469 19849 5172 1 11 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.784 0.407 19849 5173 1 11 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.269 1.817 19849 5174 1 11 . 1 1 36 36 GLU H H 36 8.859 8.859 8.247 0.612 19849 5175 1 11 . 1 1 37 37 VAL N N 37 120.272 120.272 122.643 -2.371 19849 5176 1 11 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.778 -1.166 19849 5177 1 11 . 1 1 37 37 VAL C C 37 172.679 172.679 174.571 -1.892 19849 5178 1 11 . 1 1 37 37 VAL CA C 37 60.290 60.290 58.778 1.512 19849 5179 1 11 . 1 1 37 37 VAL CB C 37 35.021 35.021 35.327 -0.306 19849 5180 1 11 . 1 1 37 37 VAL H H 37 8.497 8.497 8.640 -0.143 19849 5181 1 11 . 1 1 38 38 VAL N N 38 127.971 127.971 122.440 5.531 19849 5182 1 11 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.295 -0.038 19849 5183 1 11 . 1 1 38 38 VAL C C 38 175.842 175.842 174.823 1.019 19849 5184 1 11 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.800 -1.327 19849 5185 1 11 . 1 1 38 38 VAL CB C 38 33.115 33.115 31.866 1.249 19849 5186 1 11 . 1 1 38 38 VAL H H 38 8.169 8.169 8.460 -0.291 19849 5187 1 11 . 1 1 39 39 SER N N 39 117.426 117.426 119.149 -1.723 19849 5188 1 11 . 1 1 39 39 SER HA H 39 4.821 4.821 4.735 0.086 19849 5189 1 11 . 1 1 39 39 SER C C 39 175.323 175.323 174.152 1.171 19849 5190 1 11 . 1 1 39 39 SER CA C 39 55.888 55.888 55.925 -0.037 19849 5191 1 11 . 1 1 39 39 SER CB C 39 64.183 64.183 65.656 -1.473 19849 5192 1 11 . 1 1 39 39 SER H H 39 8.304 8.304 7.986 0.318 19849 5193 1 11 . 1 1 40 40 GLU N N 40 131.571 131.571 123.619 7.952 19849 5194 1 11 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.031 0.088 19849 5195 1 11 . 1 1 40 40 GLU C C 40 177.887 177.887 176.934 0.953 19849 5196 1 11 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.548 0.133 19849 5197 1 11 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.035 0.595 19849 5198 1 11 . 1 1 40 40 GLU H H 40 9.911 9.911 9.030 0.881 19849 5199 1 11 . 1 1 41 41 GLN N N 41 117.534 117.534 117.465 0.069 19849 5200 1 11 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.155 -0.171 19849 5201 1 11 . 1 1 41 41 GLN C C 41 176.391 176.391 175.554 0.837 19849 5202 1 11 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.262 1.181 19849 5203 1 11 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.541 0.362 19849 5204 1 11 . 1 1 41 41 GLN H H 41 8.219 8.219 7.865 0.354 19849 5205 1 11 . 1 1 42 42 PHE N N 42 113.224 113.224 116.970 -3.746 19849 5206 1 11 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.687 -0.161 19849 5207 1 11 . 1 1 42 42 PHE C C 42 175.064 175.064 175.053 0.011 19849 5208 1 11 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.774 -0.635 19849 5209 1 11 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.384 -0.748 19849 5210 1 11 . 1 1 42 42 PHE H H 42 6.894 6.894 7.889 -0.995 19849 5211 1 11 . 1 1 43 43 GLU N N 43 121.136 121.136 122.074 -0.938 19849 5212 1 11 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.411 -0.444 19849 5213 1 11 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.128 2.233 19849 5214 1 11 . 1 1 43 43 GLU CB C 43 29.234 29.234 29.207 0.027 19849 5215 1 11 . 1 1 43 43 GLU H H 43 7.469 7.469 7.441 0.028 19849 5216 1 11 . 1 1 44 44 GLY N N 44 114.819 114.819 116.919 -2.100 19849 5217 1 11 . 1 1 44 44 GLY C C 44 174.101 174.101 174.175 -0.074 19849 5218 1 11 . 1 1 44 44 GLY CA C 44 45.625 45.625 45.940 -0.315 19849 5219 1 11 . 1 1 44 44 GLY H H 44 9.014 9.014 8.886 0.128 19849 5220 1 11 . 1 1 45 45 LYS N N 45 118.678 118.678 119.984 -1.306 19849 5221 1 11 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.609 0.080 19849 5222 1 11 . 1 1 45 45 LYS C C 45 177.858 177.858 176.643 1.215 19849 5223 1 11 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.704 -1.143 19849 5224 1 11 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.128 -0.687 19849 5225 1 11 . 1 1 45 45 LYS H H 45 7.932 7.932 7.501 0.431 19849 5226 1 11 . 1 1 46 46 ARG N N 46 125.430 125.430 121.528 3.902 19849 5227 1 11 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.514 -0.221 19849 5228 1 11 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.336 0.444 19849 5229 1 11 . 1 1 46 46 ARG H H 46 9.288 9.288 8.711 0.577 19849 5230 1 11 . 1 1 47 47 LEU N N 47 124.205 124.205 124.082 0.123 19849 5231 1 11 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.629 0.073 19849 5232 1 11 . 1 1 47 47 LEU C C 47 178.476 178.476 177.998 0.478 19849 5233 1 11 . 1 1 47 47 LEU CA C 47 60.689 60.689 57.942 2.747 19849 5234 1 11 . 1 1 47 47 LEU H H 47 8.320 8.320 8.771 -0.451 19849 5235 1 11 . 1 1 48 48 LEU N N 48 115.874 115.874 118.666 -2.792 19849 5236 1 11 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.051 -0.279 19849 5237 1 11 . 1 1 48 48 LEU C C 48 179.985 179.985 179.288 0.697 19849 5238 1 11 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.819 0.804 19849 5239 1 11 . 1 1 48 48 LEU H H 48 8.587 8.587 7.963 0.624 19849 5240 1 11 . 1 1 49 49 GLU N N 49 118.216 118.216 118.602 -0.386 19849 5241 1 11 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.039 0.069 19849 5242 1 11 . 1 1 49 49 GLU C C 49 177.944 177.944 179.493 -1.549 19849 5243 1 11 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.093 -0.675 19849 5244 1 11 . 1 1 49 49 GLU H H 49 6.964 6.964 7.989 -1.025 19849 5245 1 11 . 1 1 50 50 ARG N N 50 119.674 119.674 119.723 -0.049 19849 5246 1 11 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.444 -0.527 19849 5247 1 11 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.662 -0.588 19849 5248 1 11 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.168 -1.157 19849 5249 1 11 . 1 1 50 50 ARG H H 50 7.991 7.991 8.435 -0.444 19849 5250 1 11 . 1 1 51 51 HIS N N 51 117.056 117.056 117.749 -0.693 19849 5251 1 11 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.463 -0.467 19849 5252 1 11 . 1 1 51 51 HIS C C 51 176.638 176.638 177.806 -1.168 19849 5253 1 11 . 1 1 51 51 HIS H H 51 8.294 8.294 8.280 0.014 19849 5254 1 11 . 1 1 52 52 ARG N N 52 120.626 120.626 119.213 1.413 19849 5255 1 11 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.108 0.110 19849 5256 1 11 . 1 1 52 52 ARG C C 52 179.014 179.014 177.561 1.453 19849 5257 1 11 . 1 1 52 52 ARG CA C 52 59.992 59.992 59.131 0.861 19849 5258 1 11 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.087 -0.528 19849 5259 1 11 . 1 1 52 52 ARG H H 52 8.001 8.001 8.396 -0.395 19849 5260 1 11 . 1 1 53 53 MET N N 53 119.087 119.087 117.791 1.296 19849 5261 1 11 . 1 1 53 53 MET HA H 53 4.006 4.006 4.469 -0.463 19849 5262 1 11 . 1 1 53 53 MET C C 53 179.286 179.286 178.062 1.224 19849 5263 1 11 . 1 1 53 53 MET CA C 53 59.404 59.404 57.136 2.268 19849 5264 1 11 . 1 1 53 53 MET CB C 53 34.976 34.976 32.806 2.170 19849 5265 1 11 . 1 1 53 53 MET H H 53 8.162 8.162 7.666 0.496 19849 5266 1 11 . 1 1 54 54 VAL N N 54 120.886 120.886 120.313 0.573 19849 5267 1 11 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.673 -0.248 19849 5268 1 11 . 1 1 54 54 VAL C C 54 176.296 176.296 177.813 -1.517 19849 5269 1 11 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.377 0.455 19849 5270 1 11 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.370 -0.926 19849 5271 1 11 . 1 1 54 54 VAL H H 54 7.790 7.790 7.991 -0.201 19849 5272 1 11 . 1 1 55 55 ASN N N 55 116.881 116.881 118.478 -1.597 19849 5273 1 11 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.582 -0.569 19849 5274 1 11 . 1 1 55 55 ASN C C 55 178.422 178.422 176.773 1.649 19849 5275 1 11 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.269 1.860 19849 5276 1 11 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.470 0.397 19849 5277 1 11 . 1 1 55 55 ASN H H 55 8.032 8.032 8.444 -0.412 19849 5278 1 11 . 1 1 56 56 ALA N N 56 121.164 121.164 122.350 -1.186 19849 5279 1 11 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.170 -0.087 19849 5280 1 11 . 1 1 56 56 ALA C C 56 180.700 180.700 178.733 1.967 19849 5281 1 11 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.424 0.176 19849 5282 1 11 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.146 0.116 19849 5283 1 11 . 1 1 56 56 ALA H H 56 8.578 8.578 7.771 0.807 19849 5284 1 11 . 1 1 57 57 ALA N N 57 121.156 121.156 118.621 2.535 19849 5285 1 11 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.332 -0.300 19849 5286 1 11 . 1 1 57 57 ALA C C 57 177.240 177.240 177.357 -0.117 19849 5287 1 11 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.858 0.229 19849 5288 1 11 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.021 -0.559 19849 5289 1 11 . 1 1 57 57 ALA H H 57 7.609 7.609 7.573 0.036 19849 5290 1 11 . 1 1 58 58 LEU N N 58 116.065 116.065 116.950 -0.885 19849 5291 1 11 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.505 0.390 19849 5292 1 11 . 1 1 58 58 LEU C C 58 176.446 176.446 177.491 -1.045 19849 5293 1 11 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.156 -2.635 19849 5294 1 11 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.733 0.020 19849 5295 1 11 . 1 1 58 58 LEU H H 58 6.995 6.995 7.506 -0.511 19849 5296 1 11 . 1 1 59 59 GLU N N 59 120.288 120.288 121.793 -1.505 19849 5297 1 11 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.059 -0.285 19849 5298 1 11 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.585 1.151 19849 5299 1 11 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.057 0.950 19849 5300 1 11 . 1 1 59 59 GLU H H 59 7.034 7.034 8.041 -1.007 19849 5301 1 11 . 1 1 60 60 GLU N N 60 116.322 116.322 118.264 -1.942 19849 5302 1 11 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.079 -0.049 19849 5303 1 11 . 1 1 60 60 GLU C C 60 179.270 179.270 178.136 1.134 19849 5304 1 11 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.100 -0.407 19849 5305 1 11 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.911 0.405 19849 5306 1 11 . 1 1 60 60 GLU H H 60 8.622 8.622 8.683 -0.061 19849 5307 1 11 . 1 1 61 61 GLU N N 61 121.506 121.506 118.618 2.888 19849 5308 1 11 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.131 -0.241 19849 5309 1 11 . 1 1 61 61 GLU C C 61 179.010 179.010 178.156 0.854 19849 5310 1 11 . 1 1 61 61 GLU CA C 61 60.962 60.962 58.786 2.176 19849 5311 1 11 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.174 -0.699 19849 5312 1 11 . 1 1 61 61 GLU H H 61 8.946 8.946 8.000 0.946 19849 5313 1 11 . 1 1 62 62 MET N N 62 116.213 116.213 118.083 -1.870 19849 5314 1 11 . 1 1 62 62 MET HA H 62 4.312 4.312 4.177 0.135 19849 5315 1 11 . 1 1 62 62 MET CA C 62 56.302 56.302 58.636 -2.334 19849 5316 1 11 . 1 1 62 62 MET CB C 62 30.553 30.553 32.707 -2.154 19849 5317 1 11 . 1 1 62 62 MET H H 62 8.693 8.693 8.102 0.591 19849 5318 1 11 . 1 1 63 63 LYS N N 63 116.969 116.969 115.666 1.303 19849 5319 1 11 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.234 -0.149 19849 5320 1 11 . 1 1 63 63 LYS C C 63 177.541 177.541 177.604 -0.063 19849 5321 1 11 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.350 1.378 19849 5322 1 11 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.321 0.204 19849 5323 1 11 . 1 1 63 63 LYS H H 63 7.470 7.470 7.386 0.084 19849 5324 1 11 . 1 1 64 64 GLU N N 64 115.556 115.556 119.420 -3.864 19849 5325 1 11 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.291 0.174 19849 5326 1 11 . 1 1 64 64 GLU C C 64 175.679 175.679 176.667 -0.988 19849 5327 1 11 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.914 -1.311 19849 5328 1 11 . 1 1 64 64 GLU CB C 64 32.270 32.270 30.768 1.502 19849 5329 1 11 . 1 1 64 64 GLU H H 64 7.773 7.773 7.754 0.019 19849 5330 1 11 . 1 1 65 65 ILE N N 65 120.461 120.461 113.219 7.242 19849 5331 1 11 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.527 -0.448 19849 5332 1 11 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.335 2.373 19849 5333 1 11 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.472 -0.390 19849 5334 1 11 . 1 1 65 65 ILE H H 65 7.502 7.502 7.422 0.080 19849 5335 1 11 . 1 1 66 66 HIS N N 66 125.683 125.683 119.546 6.137 19849 5336 1 11 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.747 -0.202 19849 5337 1 11 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.137 2.546 19849 5338 1 11 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.876 -1.599 19849 5339 1 11 . 1 1 66 66 HIS H H 66 9.196 9.196 8.253 0.943 19849 5340 1 11 . 1 1 67 67 ALA N N 67 120.229 120.229 121.407 -1.178 19849 5341 1 11 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.343 0.081 19849 5342 1 11 . 1 1 67 67 ALA C C 67 173.834 173.834 174.839 -1.005 19849 5343 1 11 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.281 -0.132 19849 5344 1 11 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.640 0.801 19849 5345 1 11 . 1 1 67 67 ALA H H 67 7.493 7.493 7.931 -0.438 19849 5346 1 11 . 1 1 68 68 LEU N N 68 124.546 124.546 125.017 -0.471 19849 5347 1 11 . 1 1 68 68 LEU HA H 68 4.994 4.994 4.924 0.070 19849 5348 1 11 . 1 1 68 68 LEU C C 68 175.157 175.157 175.755 -0.598 19849 5349 1 11 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.373 -1.182 19849 5350 1 11 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.154 -0.386 19849 5351 1 11 . 1 1 68 68 LEU H H 68 8.557 8.557 8.563 -0.006 19849 5352 1 11 . 1 1 69 69 SER N N 69 122.077 122.077 120.694 1.383 19849 5353 1 11 . 1 1 69 69 SER HA H 69 4.677 4.677 4.702 -0.025 19849 5354 1 11 . 1 1 69 69 SER C C 69 173.548 173.548 173.724 -0.176 19849 5355 1 11 . 1 1 69 69 SER CA C 69 55.803 55.803 56.715 -0.912 19849 5356 1 11 . 1 1 69 69 SER CB C 69 63.549 63.549 63.784 -0.235 19849 5357 1 11 . 1 1 69 69 SER H H 69 8.854 8.854 9.113 -0.259 19849 5358 1 11 . 1 1 70 70 ILE N N 70 129.143 129.143 130.470 -1.327 19849 5359 1 11 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.471 -0.365 19849 5360 1 11 . 1 1 70 70 ILE C C 70 175.059 175.059 175.221 -0.162 19849 5361 1 11 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.478 0.155 19849 5362 1 11 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.544 -1.117 19849 5363 1 11 . 1 1 70 70 ILE H H 70 8.922 8.922 8.645 0.277 19849 5364 1 11 . 1 1 71 71 LYS N N 71 130.019 130.019 126.782 3.237 19849 5365 1 11 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.061 0.011 19849 5366 1 11 . 1 1 71 71 LYS C C 71 177.201 177.201 177.123 0.078 19849 5367 1 11 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.828 -0.890 19849 5368 1 11 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.796 0.630 19849 5369 1 11 . 1 1 71 71 LYS H H 71 8.676 8.676 8.014 0.661 19849 5370 1 11 . 1 1 72 72 LYS N N 72 113.659 113.659 118.456 -4.797 19849 5371 1 11 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.560 -0.085 19849 5372 1 11 . 1 1 72 72 LYS C C 72 174.013 174.013 174.276 -0.263 19849 5373 1 11 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.289 0.675 19849 5374 1 11 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.827 2.867 19849 5375 1 11 . 1 1 72 72 LYS H H 72 7.195 7.195 7.437 -0.242 19849 5376 1 11 . 1 1 73 73 ALA N N 73 129.019 129.019 128.588 0.431 19849 5377 1 11 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.011 1.192 19849 5378 1 11 . 1 1 73 73 ALA C C 73 175.410 175.410 175.130 0.280 19849 5379 1 11 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.352 0.596 19849 5380 1 11 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.191 -1.503 19849 5381 1 11 . 1 1 73 73 ALA H H 73 8.847 8.847 8.742 0.105 19849 5382 1 11 . 1 1 74 74 GLN N N 74 120.993 120.993 122.560 -1.567 19849 5383 1 11 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.783 0.063 19849 5384 1 11 . 1 1 74 74 GLN C C 74 175.603 175.603 174.540 1.063 19849 5385 1 11 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.494 0.279 19849 5386 1 11 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.320 0.635 19849 5387 1 11 . 1 1 74 74 GLN H H 74 8.398 8.398 7.871 0.527 19849 5388 1 11 . 1 1 75 75 THR N N 75 111.917 111.917 112.220 -0.303 19849 5389 1 11 . 1 1 75 75 THR HA H 75 4.866 4.866 4.928 -0.062 19849 5390 1 11 . 1 1 75 75 THR CA C 75 59.600 59.600 57.800 1.800 19849 5391 1 11 . 1 1 75 75 THR H H 75 8.920 8.920 8.784 0.136 19849 5392 1 11 . 1 1 76 76 PRO C C 76 177.659 177.659 177.215 0.444 19849 5393 1 11 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.265 1.178 19849 5394 1 11 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.467 0.409 19849 5395 1 11 . 1 1 77 77 GLN N N 77 114.329 114.329 116.163 -1.834 19849 5396 1 11 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.154 -0.088 19849 5397 1 11 . 1 1 77 77 GLN C C 77 177.630 177.630 176.765 0.865 19849 5398 1 11 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.379 0.273 19849 5399 1 11 . 1 1 77 77 GLN CB C 77 28.238 28.238 28.608 -0.370 19849 5400 1 11 . 1 1 77 77 GLN H H 77 8.481 8.481 8.474 0.007 19849 5401 1 11 . 1 1 78 78 GLN N N 78 116.831 116.831 117.439 -0.608 19849 5402 1 11 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.437 -0.344 19849 5403 1 11 . 1 1 78 78 GLN C C 78 176.403 176.403 177.656 -1.253 19849 5404 1 11 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.581 -0.288 19849 5405 1 11 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.268 1.706 19849 5406 1 11 . 1 1 78 78 GLN H H 78 7.503 7.503 7.778 -0.275 19849 5407 1 11 . 1 1 79 79 TRP N N 79 120.561 120.561 121.523 -0.962 19849 5408 1 11 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.359 0.028 19849 5409 1 11 . 1 1 79 79 TRP C C 79 175.429 175.429 175.917 -0.488 19849 5410 1 11 . 1 1 79 79 TRP CA C 79 58.561 58.561 60.292 -1.731 19849 5411 1 11 . 1 1 79 79 TRP CB C 79 30.914 30.914 30.053 0.861 19849 5412 1 11 . 1 1 79 79 TRP H H 79 7.668 7.668 8.465 -0.797 19849 5413 1 11 . 1 1 80 80 LYS N N 80 120.883 120.883 115.617 5.266 19849 5414 1 11 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.680 -0.480 19849 5415 1 11 . 1 1 80 80 LYS CA C 80 53.038 53.038 52.849 0.189 19849 5416 1 11 . 1 1 80 80 LYS H H 80 7.768 7.768 7.437 0.331 19849 5417 1 11 . 1 1 82 82 PRO C C 82 176.919 176.919 176.335 0.584 19849 5418 1 11 . 1 1 82 82 PRO CA C 82 62.940 62.940 64.126 -1.186 19849 5419 1 11 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.445 0.581 19849 5420 1 11 . 1 1 83 83 SER N N 83 115.592 115.592 118.134 -2.542 19849 5421 1 11 . 1 1 83 83 SER HA H 83 4.315 4.315 4.492 -0.177 19849 5422 1 11 . 1 1 83 83 SER C C 83 174.665 174.665 174.148 0.517 19849 5423 1 11 . 1 1 83 83 SER CA C 83 58.162 58.162 58.753 -0.591 19849 5424 1 11 . 1 1 83 83 SER CB C 83 63.831 63.831 63.718 0.113 19849 5425 1 11 . 1 1 83 83 SER H H 83 8.264 8.264 8.360 -0.096 19849 5426 1 11 . 1 1 84 84 GLN N N 84 122.131 122.131 119.966 2.165 19849 5427 1 11 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.483 -0.194 19849 5428 1 11 . 1 1 84 84 GLN C C 84 175.598 175.598 176.670 -1.072 19849 5429 1 11 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.146 -1.295 19849 5430 1 11 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.309 0.310 19849 5431 1 11 . 1 1 84 84 GLN H H 84 8.430 8.430 8.261 0.169 19849 5432 1 11 . 1 1 85 85 ASP N N 85 121.550 121.550 116.294 5.256 19849 5433 1 11 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.559 -0.025 19849 5434 1 11 . 1 1 85 85 ASP C C 85 176.431 176.431 177.717 -1.286 19849 5435 1 11 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.611 -1.187 19849 5436 1 11 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.515 0.755 19849 5437 1 11 . 1 1 85 85 ASP H H 85 8.307 8.307 8.280 0.027 19849 5438 1 11 . 1 1 86 86 SER N N 86 116.617 116.617 115.443 1.174 19849 5439 1 11 . 1 1 86 86 SER HA H 86 4.316 4.316 4.347 -0.031 19849 5440 1 11 . 1 1 86 86 SER C C 86 174.590 174.590 175.997 -1.407 19849 5441 1 11 . 1 1 86 86 SER CA C 86 58.797 58.797 59.242 -0.445 19849 5442 1 11 . 1 1 86 86 SER CB C 86 63.667 63.667 63.249 0.417 19849 5443 1 11 . 1 1 86 86 SER H H 86 8.231 8.231 8.185 0.046 19849 5444 1 11 . 1 1 87 87 ALA N N 87 125.663 125.663 121.618 4.045 19849 5445 1 11 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.328 -0.038 19849 5446 1 11 . 1 1 87 87 ALA C C 87 178.018 178.018 177.592 0.426 19849 5447 1 11 . 1 1 87 87 ALA CA C 87 52.952 52.952 53.805 -0.853 19849 5448 1 11 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.919 0.198 19849 5449 1 11 . 1 1 87 87 ALA H H 87 8.312 8.312 7.959 0.353 19849 5450 1 11 . 1 1 88 88 THR N N 88 112.987 112.987 112.377 0.610 19849 5451 1 11 . 1 1 88 88 THR HA H 88 4.221 4.221 4.346 -0.125 19849 5452 1 11 . 1 1 88 88 THR C C 88 174.488 174.488 174.161 0.327 19849 5453 1 11 . 1 1 88 88 THR CA C 88 62.115 62.115 63.239 -1.124 19849 5454 1 11 . 1 1 88 88 THR CB C 88 69.626 69.626 68.665 0.961 19849 5455 1 11 . 1 1 88 88 THR H H 88 7.997 7.997 7.158 0.839 19849 5456 1 11 . 1 1 89 89 LEU N N 89 124.655 124.655 121.285 3.370 19849 5457 1 11 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.675 -0.319 19849 5458 1 11 . 1 1 89 89 LEU C C 89 177.367 177.367 176.529 0.838 19849 5459 1 11 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.365 -1.102 19849 5460 1 11 . 1 1 89 89 LEU CB C 89 42.492 42.492 44.553 -2.061 19849 5461 1 11 . 1 1 89 89 LEU H H 89 8.119 8.119 7.508 0.611 19849 5462 1 11 . 1 1 90 90 THR N N 90 115.527 115.527 110.113 5.414 19849 5463 1 11 . 1 1 90 90 THR HA H 90 4.261 4.261 4.410 -0.149 19849 5464 1 11 . 1 1 90 90 THR CA C 90 61.707 61.707 61.991 -0.284 19849 5465 1 11 . 1 1 90 90 THR CB C 90 69.825 69.825 69.848 -0.023 19849 5466 1 11 . 1 1 90 90 THR H H 90 8.086 8.086 8.030 0.056 19849 5467 1 11 . 1 1 91 91 LYS N N 91 123.923 123.923 119.372 4.551 19849 5468 1 11 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.379 -0.086 19849 5469 1 11 . 1 1 91 91 LYS C C 91 175.949 175.949 174.816 1.133 19849 5470 1 11 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.490 -0.326 19849 5471 1 11 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.349 0.910 19849 5472 1 11 . 1 1 91 91 LYS H H 91 8.272 8.272 8.018 0.254 19849 5473 1 11 . 1 1 92 92 ASP N N 92 122.237 122.237 119.038 3.199 19849 5474 1 11 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.512 -0.002 19849 5475 1 11 . 1 1 92 92 ASP C C 92 174.733 174.733 176.247 -1.514 19849 5476 1 11 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.236 0.299 19849 5477 1 11 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.438 0.673 19849 5478 1 11 . 1 1 92 92 ASP H H 92 8.340 8.340 8.196 0.144 19849 5479 1 12 . 1 1 2 2 VAL N N 2 120.462 120.462 122.092 -1.630 19849 5480 1 12 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.555 -0.047 19849 5481 1 12 . 1 1 2 2 VAL C C 2 174.797 174.797 173.467 1.330 19849 5482 1 12 . 1 1 2 2 VAL CA C 2 61.285 61.285 60.713 0.572 19849 5483 1 12 . 1 1 2 2 VAL CB C 2 33.821 33.821 36.072 -2.251 19849 5484 1 12 . 1 1 2 2 VAL H H 2 8.729 8.729 8.416 0.313 19849 5485 1 12 . 1 1 3 3 THR N N 3 113.531 113.531 121.835 -8.304 19849 5486 1 12 . 1 1 3 3 THR HA H 3 4.794 4.794 4.877 -0.083 19849 5487 1 12 . 1 1 3 3 THR C C 3 175.419 175.419 175.009 0.410 19849 5488 1 12 . 1 1 3 3 THR CA C 3 59.466 59.466 60.594 -1.128 19849 5489 1 12 . 1 1 3 3 THR H H 3 7.740 7.740 8.385 -0.645 19849 5490 1 12 . 1 1 4 4 LYS N N 4 121.981 121.981 123.643 -1.662 19849 5491 1 12 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.473 -0.036 19849 5492 1 12 . 1 1 4 4 LYS C C 4 177.186 177.186 177.595 -0.409 19849 5493 1 12 . 1 1 4 4 LYS CA C 4 59.716 59.716 59.149 0.567 19849 5494 1 12 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.987 1.223 19849 5495 1 12 . 1 1 4 4 LYS H H 4 9.168 9.168 8.900 0.268 19849 5496 1 12 . 1 1 5 5 GLU N N 5 117.723 117.723 117.285 0.438 19849 5497 1 12 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.010 0.042 19849 5498 1 12 . 1 1 5 5 GLU C C 5 179.351 179.351 178.560 0.791 19849 5499 1 12 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.560 0.948 19849 5500 1 12 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.325 -0.931 19849 5501 1 12 . 1 1 5 5 GLU H H 5 8.835 8.835 8.694 0.141 19849 5502 1 12 . 1 1 6 6 GLN N N 6 122.133 122.133 118.469 3.664 19849 5503 1 12 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.172 -0.163 19849 5504 1 12 . 1 1 6 6 GLN C C 6 178.109 178.109 178.011 0.098 19849 5505 1 12 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.437 0.441 19849 5506 1 12 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.110 0.763 19849 5507 1 12 . 1 1 6 6 GLN H H 6 7.867 7.867 7.671 0.196 19849 5508 1 12 . 1 1 7 7 VAL N N 7 120.130 120.130 121.433 -1.303 19849 5509 1 12 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.652 -0.515 19849 5510 1 12 . 1 1 7 7 VAL C C 7 177.807 177.807 178.107 -0.300 19849 5511 1 12 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.250 0.263 19849 5512 1 12 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.561 0.680 19849 5513 1 12 . 1 1 7 7 VAL H H 7 7.447 7.447 7.406 0.041 19849 5514 1 12 . 1 1 8 8 GLU N N 8 117.342 117.342 119.919 -2.577 19849 5515 1 12 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.879 -0.309 19849 5516 1 12 . 1 1 8 8 GLU C C 8 174.166 174.166 178.718 -4.552 19849 5517 1 12 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.685 0.014 19849 5518 1 12 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.896 0.948 19849 5519 1 12 . 1 1 8 8 GLU H H 8 8.529 8.529 8.344 0.185 19849 5520 1 12 . 1 1 9 9 ALA N N 9 124.344 124.344 120.868 3.476 19849 5521 1 12 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.191 0.229 19849 5522 1 12 . 1 1 9 9 ALA C C 9 177.996 177.996 179.967 -1.971 19849 5523 1 12 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.996 0.527 19849 5524 1 12 . 1 1 9 9 ALA H H 9 8.301 8.301 7.562 0.739 19849 5525 1 12 . 1 1 10 10 SER N N 10 117.198 117.198 115.744 1.454 19849 5526 1 12 . 1 1 10 10 SER HA H 10 4.374 4.374 4.280 0.094 19849 5527 1 12 . 1 1 10 10 SER C C 10 175.219 175.219 176.381 -1.162 19849 5528 1 12 . 1 1 10 10 SER CA C 10 62.207 62.207 62.934 -0.727 19849 5529 1 12 . 1 1 10 10 SER H H 10 8.303 8.303 7.850 0.453 19849 5530 1 12 . 1 1 11 11 LEU N N 11 118.287 118.287 121.698 -3.411 19849 5531 1 12 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.073 -0.259 19849 5532 1 12 . 1 1 11 11 LEU C C 11 179.247 179.247 178.696 0.551 19849 5533 1 12 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.802 0.407 19849 5534 1 12 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.477 1.050 19849 5535 1 12 . 1 1 11 11 LEU H H 11 7.973 7.973 8.584 -0.611 19849 5536 1 12 . 1 1 12 12 THR N N 12 116.416 116.416 114.227 2.189 19849 5537 1 12 . 1 1 12 12 THR HA H 12 3.530 3.530 4.004 -0.474 19849 5538 1 12 . 1 1 12 12 THR C C 12 176.464 176.464 175.805 0.659 19849 5539 1 12 . 1 1 12 12 THR CA C 12 67.016 67.016 65.761 1.255 19849 5540 1 12 . 1 1 12 12 THR CB C 12 68.586 68.586 68.496 0.090 19849 5541 1 12 . 1 1 12 12 THR H H 12 8.440 8.440 7.841 0.599 19849 5542 1 12 . 1 1 13 13 SER N N 13 115.144 115.144 116.981 -1.837 19849 5543 1 12 . 1 1 13 13 SER HA H 13 4.105 4.105 4.381 -0.276 19849 5544 1 12 . 1 1 13 13 SER C C 13 176.285 176.285 175.128 1.157 19849 5545 1 12 . 1 1 13 13 SER CA C 13 61.032 61.032 61.547 -0.515 19849 5546 1 12 . 1 1 13 13 SER CB C 13 63.045 63.045 63.390 -0.345 19849 5547 1 12 . 1 1 13 13 SER H H 13 8.022 8.022 7.390 0.632 19849 5548 1 12 . 1 1 14 14 LYS N N 14 116.028 116.028 119.320 -3.292 19849 5549 1 12 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.205 0.105 19849 5550 1 12 . 1 1 14 14 LYS C C 14 178.041 178.041 177.579 0.462 19849 5551 1 12 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.430 -0.588 19849 5552 1 12 . 1 1 14 14 LYS CB C 14 33.857 33.857 32.831 1.026 19849 5553 1 12 . 1 1 14 14 LYS H H 14 7.466 7.466 7.533 -0.067 19849 5554 1 12 . 1 1 15 15 LEU N N 15 114.405 114.405 116.555 -2.150 19849 5555 1 12 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.482 -0.063 19849 5556 1 12 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.520 0.404 19849 5557 1 12 . 1 1 15 15 LEU CB C 15 42.360 42.360 42.077 0.283 19849 5558 1 12 . 1 1 15 15 LEU H H 15 7.842 7.842 8.056 -0.214 19849 5559 1 12 . 1 1 16 16 LYS N N 16 116.513 116.513 117.356 -0.843 19849 5560 1 12 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.153 -0.033 19849 5561 1 12 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.621 -0.324 19849 5562 1 12 . 1 1 16 16 LYS H H 16 7.421 7.421 7.430 -0.009 19849 5563 1 12 . 1 1 17 17 PRO C C 17 177.159 177.159 175.498 1.661 19849 5564 1 12 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.420 -0.525 19849 5565 1 12 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.418 2.889 19849 5566 1 12 . 1 1 18 18 ILE N N 18 116.671 116.671 120.663 -3.992 19849 5567 1 12 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.142 0.152 19849 5568 1 12 . 1 1 18 18 ILE C C 18 175.085 175.085 176.579 -1.494 19849 5569 1 12 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.567 -0.540 19849 5570 1 12 . 1 1 18 18 ILE CB C 18 39.016 39.016 37.950 1.066 19849 5571 1 12 . 1 1 18 18 ILE H H 18 7.917 7.917 8.052 -0.135 19849 5572 1 12 . 1 1 19 19 HIS N N 19 117.574 117.574 117.305 0.269 19849 5573 1 12 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.665 -0.223 19849 5574 1 12 . 1 1 19 19 HIS C C 19 171.727 171.727 172.765 -1.038 19849 5575 1 12 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.671 0.703 19849 5576 1 12 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.536 1.023 19849 5577 1 12 . 1 1 19 19 HIS H H 19 6.968 6.968 7.894 -0.926 19849 5578 1 12 . 1 1 20 20 LEU N N 20 128.803 128.803 128.089 0.714 19849 5579 1 12 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.064 -0.258 19849 5580 1 12 . 1 1 20 20 LEU C C 20 173.636 173.636 175.028 -1.392 19849 5581 1 12 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.437 -1.013 19849 5582 1 12 . 1 1 20 20 LEU CB C 20 45.564 45.564 45.212 0.352 19849 5583 1 12 . 1 1 20 20 LEU H H 20 7.928 7.928 8.047 -0.119 19849 5584 1 12 . 1 1 21 21 GLU N N 21 125.639 125.639 124.802 0.837 19849 5585 1 12 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.567 -0.057 19849 5586 1 12 . 1 1 21 21 GLU C C 21 174.143 174.143 174.891 -0.748 19849 5587 1 12 . 1 1 21 21 GLU CA C 21 55.709 55.709 54.895 0.814 19849 5588 1 12 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.271 2.322 19849 5589 1 12 . 1 1 21 21 GLU H H 21 8.703 8.703 8.147 0.556 19849 5590 1 12 . 1 1 22 22 VAL N N 22 126.675 126.675 120.568 6.107 19849 5591 1 12 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.728 -0.111 19849 5592 1 12 . 1 1 22 22 VAL C C 22 173.843 173.843 174.390 -0.547 19849 5593 1 12 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.296 1.063 19849 5594 1 12 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.336 0.335 19849 5595 1 12 . 1 1 22 22 VAL H H 22 8.936 8.936 7.974 0.962 19849 5596 1 12 . 1 1 23 23 ILE N N 23 126.078 126.078 126.250 -0.172 19849 5597 1 12 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.447 0.026 19849 5598 1 12 . 1 1 23 23 ILE C C 23 175.007 175.007 174.951 0.056 19849 5599 1 12 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.134 0.312 19849 5600 1 12 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.967 3.270 19849 5601 1 12 . 1 1 23 23 ILE H H 23 9.099 9.099 8.123 0.976 19849 5602 1 12 . 1 1 24 24 ASP N N 24 127.026 127.026 129.260 -2.234 19849 5603 1 12 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.856 -0.246 19849 5604 1 12 . 1 1 24 24 ASP C C 24 176.888 176.888 176.807 0.081 19849 5605 1 12 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.675 -1.811 19849 5606 1 12 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.055 -0.023 19849 5607 1 12 . 1 1 24 24 ASP H H 24 9.152 9.152 8.968 0.184 19849 5608 1 12 . 1 1 25 25 ILE N N 25 123.148 123.148 122.642 0.506 19849 5609 1 12 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.600 -0.008 19849 5610 1 12 . 1 1 25 25 ILE C C 25 175.765 175.765 175.368 0.397 19849 5611 1 12 . 1 1 25 25 ILE CA C 25 61.112 61.112 60.198 0.914 19849 5612 1 12 . 1 1 25 25 ILE CB C 25 36.913 36.913 37.930 -1.017 19849 5613 1 12 . 1 1 25 25 ILE H H 25 7.915 7.915 8.045 -0.130 19849 5614 1 12 . 1 1 26 26 SER N N 26 119.373 119.373 115.520 3.853 19849 5615 1 12 . 1 1 26 26 SER HA H 26 4.520 4.520 4.728 -0.208 19849 5616 1 12 . 1 1 26 26 SER C C 26 175.488 175.488 174.665 0.823 19849 5617 1 12 . 1 1 26 26 SER CA C 26 58.030 58.030 58.447 -0.417 19849 5618 1 12 . 1 1 26 26 SER CB C 26 64.605 64.605 64.595 0.010 19849 5619 1 12 . 1 1 26 26 SER H H 26 9.175 9.175 8.633 0.542 19849 5620 1 12 . 1 1 27 27 GLY N N 27 111.902 111.902 109.882 2.020 19849 5621 1 12 . 1 1 27 27 GLY C C 27 175.418 175.418 173.289 2.129 19849 5622 1 12 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.840 0.595 19849 5623 1 12 . 1 1 27 27 GLY H H 27 8.417 8.417 8.074 0.343 19849 5624 1 12 . 1 1 28 28 GLY N N 28 106.936 106.936 107.518 -0.582 19849 5625 1 12 . 1 1 28 28 GLY C C 28 177.627 177.627 176.041 1.586 19849 5626 1 12 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.781 -0.153 19849 5627 1 12 . 1 1 28 28 GLY H H 28 7.864 7.864 8.251 -0.387 19849 5628 1 12 . 1 1 29 29 CYS N N 29 116.829 116.829 118.742 -1.913 19849 5629 1 12 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.590 -0.227 19849 5630 1 12 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.812 -0.372 19849 5631 1 12 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.091 -0.233 19849 5632 1 12 . 1 1 29 29 CYS H H 29 7.380 7.380 8.087 -0.707 19849 5633 1 12 . 1 1 30 30 GLY N N 30 111.626 111.626 108.482 3.144 19849 5634 1 12 . 1 1 30 30 GLY C C 30 173.383 173.383 173.768 -0.385 19849 5635 1 12 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.940 1.146 19849 5636 1 12 . 1 1 30 30 GLY H H 30 8.965 8.965 7.953 1.012 19849 5637 1 12 . 1 1 31 31 SER N N 31 111.735 111.735 116.698 -4.963 19849 5638 1 12 . 1 1 31 31 SER HA H 31 4.639 4.639 3.894 0.745 19849 5639 1 12 . 1 1 31 31 SER C C 31 174.246 174.246 173.229 1.017 19849 5640 1 12 . 1 1 31 31 SER CA C 31 58.203 58.203 59.285 -1.082 19849 5641 1 12 . 1 1 31 31 SER CB C 31 64.459 64.459 62.972 1.487 19849 5642 1 12 . 1 1 31 31 SER H H 31 8.220 8.220 7.952 0.268 19849 5643 1 12 . 1 1 32 32 SER N N 32 116.259 116.259 122.299 -6.040 19849 5644 1 12 . 1 1 32 32 SER HA H 32 5.346 5.346 5.411 -0.065 19849 5645 1 12 . 1 1 32 32 SER C C 32 176.363 176.363 172.609 3.754 19849 5646 1 12 . 1 1 32 32 SER CA C 32 57.400 57.400 57.327 0.073 19849 5647 1 12 . 1 1 32 32 SER CB C 32 62.866 62.866 66.392 -3.526 19849 5648 1 12 . 1 1 32 32 SER H H 32 7.253 7.253 8.437 -1.184 19849 5649 1 12 . 1 1 33 33 PHE N N 33 118.533 118.533 122.204 -3.671 19849 5650 1 12 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.129 0.527 19849 5651 1 12 . 1 1 33 33 PHE C C 33 174.163 174.163 175.005 -0.842 19849 5652 1 12 . 1 1 33 33 PHE CA C 33 56.382 56.382 55.709 0.673 19849 5653 1 12 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.246 2.204 19849 5654 1 12 . 1 1 33 33 PHE H H 33 7.995 7.995 9.044 -1.049 19849 5655 1 12 . 1 1 34 34 GLU N N 34 122.301 122.301 123.713 -1.412 19849 5656 1 12 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.772 0.788 19849 5657 1 12 . 1 1 34 34 GLU C C 34 175.902 175.902 175.434 0.468 19849 5658 1 12 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.543 -1.167 19849 5659 1 12 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.681 3.862 19849 5660 1 12 . 1 1 34 34 GLU H H 34 9.436 9.436 8.550 0.886 19849 5661 1 12 . 1 1 35 35 VAL N N 35 118.350 118.350 126.380 -8.030 19849 5662 1 12 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.905 0.464 19849 5663 1 12 . 1 1 35 35 VAL C C 35 174.616 174.616 174.140 0.476 19849 5664 1 12 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.132 0.232 19849 5665 1 12 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.267 0.911 19849 5666 1 12 . 1 1 35 35 VAL H H 35 8.784 8.784 8.922 -0.138 19849 5667 1 12 . 1 1 36 36 GLU N N 36 123.537 123.537 128.063 -4.526 19849 5668 1 12 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.873 0.096 19849 5669 1 12 . 1 1 36 36 GLU C C 36 174.745 174.745 175.114 -0.369 19849 5670 1 12 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.056 0.135 19849 5671 1 12 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.568 1.518 19849 5672 1 12 . 1 1 36 36 GLU H H 36 8.859 8.859 8.108 0.751 19849 5673 1 12 . 1 1 37 37 VAL N N 37 120.272 120.272 125.780 -5.508 19849 5674 1 12 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.466 -0.854 19849 5675 1 12 . 1 1 37 37 VAL C C 37 172.679 172.679 174.943 -2.264 19849 5676 1 12 . 1 1 37 37 VAL CA C 37 60.290 60.290 59.748 0.542 19849 5677 1 12 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.384 0.637 19849 5678 1 12 . 1 1 37 37 VAL H H 37 8.497 8.497 9.323 -0.826 19849 5679 1 12 . 1 1 38 38 VAL N N 38 127.971 127.971 124.898 3.073 19849 5680 1 12 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.504 -0.247 19849 5681 1 12 . 1 1 38 38 VAL C C 38 175.842 175.842 173.936 1.906 19849 5682 1 12 . 1 1 38 38 VAL CA C 38 59.474 59.474 59.562 -0.088 19849 5683 1 12 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.271 0.844 19849 5684 1 12 . 1 1 38 38 VAL H H 38 8.169 8.169 8.606 -0.437 19849 5685 1 12 . 1 1 39 39 SER N N 39 117.426 117.426 120.829 -3.403 19849 5686 1 12 . 1 1 39 39 SER HA H 39 4.821 4.821 4.710 0.111 19849 5687 1 12 . 1 1 39 39 SER C C 39 175.323 175.323 174.572 0.751 19849 5688 1 12 . 1 1 39 39 SER CA C 39 55.888 55.888 55.697 0.191 19849 5689 1 12 . 1 1 39 39 SER CB C 39 64.183 64.183 65.643 -1.460 19849 5690 1 12 . 1 1 39 39 SER H H 39 8.304 8.304 8.305 -0.001 19849 5691 1 12 . 1 1 40 40 GLU N N 40 131.571 131.571 123.611 7.960 19849 5692 1 12 . 1 1 40 40 GLU HA H 40 4.119 4.119 3.995 0.124 19849 5693 1 12 . 1 1 40 40 GLU C C 40 177.887 177.887 177.461 0.426 19849 5694 1 12 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.963 -0.282 19849 5695 1 12 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.073 0.557 19849 5696 1 12 . 1 1 40 40 GLU H H 40 9.911 9.911 9.021 0.890 19849 5697 1 12 . 1 1 41 41 GLN N N 41 117.534 117.534 117.573 -0.039 19849 5698 1 12 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.189 -0.205 19849 5699 1 12 . 1 1 41 41 GLN C C 41 176.391 176.391 176.009 0.382 19849 5700 1 12 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.273 0.170 19849 5701 1 12 . 1 1 41 41 GLN CB C 41 27.903 27.903 28.354 -0.451 19849 5702 1 12 . 1 1 41 41 GLN H H 41 8.219 8.219 7.869 0.350 19849 5703 1 12 . 1 1 42 42 PHE N N 42 113.224 113.224 117.304 -4.080 19849 5704 1 12 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.738 -0.212 19849 5705 1 12 . 1 1 42 42 PHE C C 42 175.064 175.064 175.037 0.027 19849 5706 1 12 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.157 -0.019 19849 5707 1 12 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.405 -0.769 19849 5708 1 12 . 1 1 42 42 PHE H H 42 6.894 6.894 8.051 -1.157 19849 5709 1 12 . 1 1 43 43 GLU N N 43 121.136 121.136 122.169 -1.033 19849 5710 1 12 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.227 -0.260 19849 5711 1 12 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.819 1.542 19849 5712 1 12 . 1 1 43 43 GLU CB C 43 29.234 29.234 29.027 0.206 19849 5713 1 12 . 1 1 43 43 GLU H H 43 7.469 7.469 7.576 -0.107 19849 5714 1 12 . 1 1 44 44 GLY N N 44 114.819 114.819 116.161 -1.342 19849 5715 1 12 . 1 1 44 44 GLY C C 44 174.101 174.101 174.420 -0.319 19849 5716 1 12 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.131 -0.506 19849 5717 1 12 . 1 1 44 44 GLY H H 44 9.014 9.014 8.680 0.334 19849 5718 1 12 . 1 1 45 45 LYS N N 45 118.678 118.678 120.010 -1.332 19849 5719 1 12 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.528 0.161 19849 5720 1 12 . 1 1 45 45 LYS C C 45 177.858 177.858 177.023 0.835 19849 5721 1 12 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.866 -1.305 19849 5722 1 12 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.715 -0.274 19849 5723 1 12 . 1 1 45 45 LYS H H 45 7.932 7.932 7.536 0.396 19849 5724 1 12 . 1 1 46 46 ARG N N 46 125.430 125.430 122.364 3.066 19849 5725 1 12 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.317 -0.024 19849 5726 1 12 . 1 1 46 46 ARG CA C 46 55.779 55.779 56.086 -0.307 19849 5727 1 12 . 1 1 46 46 ARG H H 46 9.288 9.288 8.679 0.609 19849 5728 1 12 . 1 1 47 47 LEU N N 47 124.205 124.205 123.866 0.339 19849 5729 1 12 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.656 0.046 19849 5730 1 12 . 1 1 47 47 LEU C C 47 178.476 178.476 178.784 -0.308 19849 5731 1 12 . 1 1 47 47 LEU CA C 47 60.689 60.689 57.897 2.792 19849 5732 1 12 . 1 1 47 47 LEU H H 47 8.320 8.320 8.810 -0.490 19849 5733 1 12 . 1 1 48 48 LEU N N 48 115.874 115.874 117.825 -1.951 19849 5734 1 12 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.084 -0.312 19849 5735 1 12 . 1 1 48 48 LEU C C 48 179.985 179.985 179.117 0.868 19849 5736 1 12 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.795 0.828 19849 5737 1 12 . 1 1 48 48 LEU H H 48 8.587 8.587 7.963 0.624 19849 5738 1 12 . 1 1 49 49 GLU N N 49 118.216 118.216 118.739 -0.523 19849 5739 1 12 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.047 0.061 19849 5740 1 12 . 1 1 49 49 GLU C C 49 177.944 177.944 179.430 -1.486 19849 5741 1 12 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.045 -0.627 19849 5742 1 12 . 1 1 49 49 GLU H H 49 6.964 6.964 7.920 -0.956 19849 5743 1 12 . 1 1 50 50 ARG N N 50 119.674 119.674 119.357 0.317 19849 5744 1 12 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.193 -0.276 19849 5745 1 12 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.593 -0.519 19849 5746 1 12 . 1 1 50 50 ARG CB C 50 29.011 29.011 29.850 -0.839 19849 5747 1 12 . 1 1 50 50 ARG H H 50 7.991 7.991 8.163 -0.172 19849 5748 1 12 . 1 1 51 51 HIS N N 51 117.056 117.056 117.865 -0.809 19849 5749 1 12 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.373 -0.377 19849 5750 1 12 . 1 1 51 51 HIS C C 51 176.638 176.638 177.798 -1.160 19849 5751 1 12 . 1 1 51 51 HIS H H 51 8.294 8.294 7.900 0.394 19849 5752 1 12 . 1 1 52 52 ARG N N 52 120.626 120.626 119.234 1.392 19849 5753 1 12 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.174 0.044 19849 5754 1 12 . 1 1 52 52 ARG C C 52 179.014 179.014 177.311 1.703 19849 5755 1 12 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.334 1.658 19849 5756 1 12 . 1 1 52 52 ARG CB C 52 29.559 29.559 29.841 -0.282 19849 5757 1 12 . 1 1 52 52 ARG H H 52 8.001 8.001 8.139 -0.138 19849 5758 1 12 . 1 1 53 53 MET N N 53 119.087 119.087 117.671 1.416 19849 5759 1 12 . 1 1 53 53 MET HA H 53 4.006 4.006 4.485 -0.479 19849 5760 1 12 . 1 1 53 53 MET C C 53 179.286 179.286 178.103 1.183 19849 5761 1 12 . 1 1 53 53 MET CA C 53 59.404 59.404 58.127 1.277 19849 5762 1 12 . 1 1 53 53 MET CB C 53 34.976 34.976 33.532 1.444 19849 5763 1 12 . 1 1 53 53 MET H H 53 8.162 8.162 7.729 0.433 19849 5764 1 12 . 1 1 54 54 VAL N N 54 120.886 120.886 120.050 0.836 19849 5765 1 12 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.803 -0.378 19849 5766 1 12 . 1 1 54 54 VAL C C 54 176.296 176.296 177.947 -1.651 19849 5767 1 12 . 1 1 54 54 VAL CA C 54 66.833 66.833 65.957 0.876 19849 5768 1 12 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.080 -0.636 19849 5769 1 12 . 1 1 54 54 VAL H H 54 7.790 7.790 8.132 -0.342 19849 5770 1 12 . 1 1 55 55 ASN N N 55 116.881 116.881 118.615 -1.734 19849 5771 1 12 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.615 -0.602 19849 5772 1 12 . 1 1 55 55 ASN C C 55 178.422 178.422 176.903 1.519 19849 5773 1 12 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.340 1.789 19849 5774 1 12 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.425 0.442 19849 5775 1 12 . 1 1 55 55 ASN H H 55 8.032 8.032 8.465 -0.433 19849 5776 1 12 . 1 1 56 56 ALA N N 56 121.164 121.164 122.368 -1.204 19849 5777 1 12 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.154 -0.071 19849 5778 1 12 . 1 1 56 56 ALA C C 56 180.700 180.700 178.434 2.266 19849 5779 1 12 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.552 0.048 19849 5780 1 12 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.085 0.177 19849 5781 1 12 . 1 1 56 56 ALA H H 56 8.578 8.578 7.739 0.839 19849 5782 1 12 . 1 1 57 57 ALA N N 57 121.156 121.156 118.967 2.189 19849 5783 1 12 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.404 -0.372 19849 5784 1 12 . 1 1 57 57 ALA C C 57 177.240 177.240 177.903 -0.663 19849 5785 1 12 . 1 1 57 57 ALA CA C 57 54.087 54.087 54.016 0.071 19849 5786 1 12 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.186 -0.724 19849 5787 1 12 . 1 1 57 57 ALA H H 57 7.609 7.609 7.533 0.076 19849 5788 1 12 . 1 1 58 58 LEU N N 58 116.065 116.065 116.566 -0.501 19849 5789 1 12 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.536 0.359 19849 5790 1 12 . 1 1 58 58 LEU C C 58 176.446 176.446 177.545 -1.099 19849 5791 1 12 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.391 -2.870 19849 5792 1 12 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.713 0.040 19849 5793 1 12 . 1 1 58 58 LEU H H 58 6.995 6.995 7.573 -0.578 19849 5794 1 12 . 1 1 59 59 GLU N N 59 120.288 120.288 121.821 -1.533 19849 5795 1 12 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.051 -0.277 19849 5796 1 12 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.983 0.753 19849 5797 1 12 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.315 0.692 19849 5798 1 12 . 1 1 59 59 GLU H H 59 7.034 7.034 8.234 -1.200 19849 5799 1 12 . 1 1 60 60 GLU N N 60 116.322 116.322 117.925 -1.603 19849 5800 1 12 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.093 -0.063 19849 5801 1 12 . 1 1 60 60 GLU C C 60 179.270 179.270 178.794 0.476 19849 5802 1 12 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.014 -0.321 19849 5803 1 12 . 1 1 60 60 GLU CB C 60 29.316 29.316 29.074 0.242 19849 5804 1 12 . 1 1 60 60 GLU H H 60 8.622 8.622 8.618 0.004 19849 5805 1 12 . 1 1 61 61 GLU N N 61 121.506 121.506 119.536 1.970 19849 5806 1 12 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.128 -0.238 19849 5807 1 12 . 1 1 61 61 GLU C C 61 179.010 179.010 178.677 0.333 19849 5808 1 12 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.233 1.729 19849 5809 1 12 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.125 -0.650 19849 5810 1 12 . 1 1 61 61 GLU H H 61 8.946 8.946 8.173 0.773 19849 5811 1 12 . 1 1 62 62 MET N N 62 116.213 116.213 117.507 -1.294 19849 5812 1 12 . 1 1 62 62 MET HA H 62 4.312 4.312 4.082 0.230 19849 5813 1 12 . 1 1 62 62 MET CA C 62 56.302 56.302 59.242 -2.940 19849 5814 1 12 . 1 1 62 62 MET CB C 62 30.553 30.553 32.652 -2.099 19849 5815 1 12 . 1 1 62 62 MET H H 62 8.693 8.693 8.320 0.373 19849 5816 1 12 . 1 1 63 63 LYS N N 63 116.969 116.969 115.160 1.809 19849 5817 1 12 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.199 -0.114 19849 5818 1 12 . 1 1 63 63 LYS C C 63 177.541 177.541 178.024 -0.483 19849 5819 1 12 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.417 1.311 19849 5820 1 12 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.122 0.403 19849 5821 1 12 . 1 1 63 63 LYS H H 63 7.470 7.470 7.400 0.070 19849 5822 1 12 . 1 1 64 64 GLU N N 64 115.556 115.556 118.548 -2.992 19849 5823 1 12 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.410 0.055 19849 5824 1 12 . 1 1 64 64 GLU C C 64 175.679 175.679 176.565 -0.886 19849 5825 1 12 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.308 -0.705 19849 5826 1 12 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.109 1.161 19849 5827 1 12 . 1 1 64 64 GLU H H 64 7.773 7.773 7.773 0.000 19849 5828 1 12 . 1 1 65 65 ILE N N 65 120.461 120.461 114.637 5.824 19849 5829 1 12 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.343 -0.264 19849 5830 1 12 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.844 1.864 19849 5831 1 12 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.823 0.259 19849 5832 1 12 . 1 1 65 65 ILE H H 65 7.502 7.502 7.679 -0.177 19849 5833 1 12 . 1 1 66 66 HIS N N 66 125.683 125.683 119.289 6.394 19849 5834 1 12 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.692 -0.147 19849 5835 1 12 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.684 1.999 19849 5836 1 12 . 1 1 66 66 HIS CB C 66 30.277 30.277 32.468 -2.191 19849 5837 1 12 . 1 1 66 66 HIS H H 66 9.196 9.196 8.578 0.618 19849 5838 1 12 . 1 1 67 67 ALA N N 67 120.229 120.229 120.655 -0.426 19849 5839 1 12 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.296 0.128 19849 5840 1 12 . 1 1 67 67 ALA C C 67 173.834 173.834 174.709 -0.875 19849 5841 1 12 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.230 -0.081 19849 5842 1 12 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.690 0.751 19849 5843 1 12 . 1 1 67 67 ALA H H 67 7.493 7.493 7.563 -0.070 19849 5844 1 12 . 1 1 68 68 LEU N N 68 124.546 124.546 123.884 0.662 19849 5845 1 12 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.111 -0.117 19849 5846 1 12 . 1 1 68 68 LEU C C 68 175.157 175.157 175.856 -0.699 19849 5847 1 12 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.340 -1.149 19849 5848 1 12 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.190 -0.421 19849 5849 1 12 . 1 1 68 68 LEU H H 68 8.557 8.557 8.584 -0.027 19849 5850 1 12 . 1 1 69 69 SER N N 69 122.077 122.077 121.564 0.513 19849 5851 1 12 . 1 1 69 69 SER HA H 69 4.677 4.677 4.560 0.117 19849 5852 1 12 . 1 1 69 69 SER C C 69 173.548 173.548 173.501 0.047 19849 5853 1 12 . 1 1 69 69 SER CA C 69 55.803 55.803 58.171 -2.368 19849 5854 1 12 . 1 1 69 69 SER CB C 69 63.549 63.549 63.626 -0.077 19849 5855 1 12 . 1 1 69 69 SER H H 69 8.854 8.854 9.127 -0.273 19849 5856 1 12 . 1 1 70 70 ILE N N 70 129.143 129.143 129.278 -0.135 19849 5857 1 12 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.368 -0.262 19849 5858 1 12 . 1 1 70 70 ILE C C 70 175.059 175.059 175.123 -0.064 19849 5859 1 12 . 1 1 70 70 ILE CA C 70 60.633 60.633 59.132 1.501 19849 5860 1 12 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.486 -1.059 19849 5861 1 12 . 1 1 70 70 ILE H H 70 8.922 8.922 8.326 0.596 19849 5862 1 12 . 1 1 71 71 LYS N N 71 130.019 130.019 126.900 3.119 19849 5863 1 12 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.140 -0.068 19849 5864 1 12 . 1 1 71 71 LYS C C 71 177.201 177.201 177.113 0.088 19849 5865 1 12 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.288 -0.350 19849 5866 1 12 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.770 0.656 19849 5867 1 12 . 1 1 71 71 LYS H H 71 8.676 8.676 8.009 0.667 19849 5868 1 12 . 1 1 72 72 LYS N N 72 113.659 113.659 119.750 -6.091 19849 5869 1 12 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.533 -0.058 19849 5870 1 12 . 1 1 72 72 LYS C C 72 174.013 174.013 174.069 -0.056 19849 5871 1 12 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.453 0.511 19849 5872 1 12 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.758 2.936 19849 5873 1 12 . 1 1 72 72 LYS H H 72 7.195 7.195 7.524 -0.329 19849 5874 1 12 . 1 1 73 73 ALA N N 73 129.019 129.019 128.877 0.142 19849 5875 1 12 . 1 1 73 73 ALA HA H 73 5.202 5.202 5.150 0.052 19849 5876 1 12 . 1 1 73 73 ALA C C 73 175.410 175.410 175.815 -0.405 19849 5877 1 12 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.312 0.636 19849 5878 1 12 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.581 -1.893 19849 5879 1 12 . 1 1 73 73 ALA H H 73 8.847 8.847 8.793 0.054 19849 5880 1 12 . 1 1 74 74 GLN N N 74 120.993 120.993 123.081 -2.088 19849 5881 1 12 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.804 0.042 19849 5882 1 12 . 1 1 74 74 GLN C C 74 175.603 175.603 174.420 1.183 19849 5883 1 12 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.103 0.670 19849 5884 1 12 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.335 0.620 19849 5885 1 12 . 1 1 74 74 GLN H H 74 8.398 8.398 8.714 -0.316 19849 5886 1 12 . 1 1 75 75 THR N N 75 111.917 111.917 112.419 -0.502 19849 5887 1 12 . 1 1 75 75 THR HA H 75 4.866 4.866 4.868 -0.002 19849 5888 1 12 . 1 1 75 75 THR CA C 75 59.600 59.600 58.888 0.712 19849 5889 1 12 . 1 1 75 75 THR H H 75 8.920 8.920 8.453 0.467 19849 5890 1 12 . 1 1 76 76 PRO C C 76 177.659 177.659 177.593 0.066 19849 5891 1 12 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.288 1.155 19849 5892 1 12 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.622 0.254 19849 5893 1 12 . 1 1 77 77 GLN N N 77 114.329 114.329 116.846 -2.517 19849 5894 1 12 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.255 -0.189 19849 5895 1 12 . 1 1 77 77 GLN C C 77 177.630 177.630 177.419 0.211 19849 5896 1 12 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.330 0.322 19849 5897 1 12 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.913 0.326 19849 5898 1 12 . 1 1 77 77 GLN H H 77 8.481 8.481 8.587 -0.106 19849 5899 1 12 . 1 1 78 78 GLN N N 78 116.831 116.831 117.712 -0.881 19849 5900 1 12 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.347 -0.254 19849 5901 1 12 . 1 1 78 78 GLN C C 78 176.403 176.403 177.340 -0.937 19849 5902 1 12 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.483 -0.190 19849 5903 1 12 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.584 1.390 19849 5904 1 12 . 1 1 78 78 GLN H H 78 7.503 7.503 7.906 -0.403 19849 5905 1 12 . 1 1 79 79 TRP N N 79 120.561 120.561 121.013 -0.452 19849 5906 1 12 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.490 -0.103 19849 5907 1 12 . 1 1 79 79 TRP C C 79 175.429 175.429 176.813 -1.384 19849 5908 1 12 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.146 -0.585 19849 5909 1 12 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.560 1.354 19849 5910 1 12 . 1 1 79 79 TRP H H 79 7.668 7.668 8.403 -0.735 19849 5911 1 12 . 1 1 80 80 LYS N N 80 120.883 120.883 118.270 2.613 19849 5912 1 12 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.240 -0.040 19849 5913 1 12 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.058 -5.020 19849 5914 1 12 . 1 1 80 80 LYS H H 80 7.768 7.768 8.113 -0.345 19849 5915 1 12 . 1 1 82 82 PRO C C 82 176.919 176.919 176.110 0.809 19849 5916 1 12 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.443 0.497 19849 5917 1 12 . 1 1 82 82 PRO CB C 82 32.026 32.026 33.168 -1.142 19849 5918 1 12 . 1 1 83 83 SER N N 83 115.592 115.592 116.611 -1.019 19849 5919 1 12 . 1 1 83 83 SER HA H 83 4.315 4.315 4.539 -0.224 19849 5920 1 12 . 1 1 83 83 SER C C 83 174.665 174.665 173.909 0.756 19849 5921 1 12 . 1 1 83 83 SER CA C 83 58.162 58.162 58.891 -0.729 19849 5922 1 12 . 1 1 83 83 SER CB C 83 63.831 63.831 63.203 0.628 19849 5923 1 12 . 1 1 83 83 SER H H 83 8.264 8.264 8.228 0.036 19849 5924 1 12 . 1 1 84 84 GLN N N 84 122.131 122.131 117.681 4.450 19849 5925 1 12 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.289 0.000 19849 5926 1 12 . 1 1 84 84 GLN C C 84 175.598 175.598 176.183 -0.585 19849 5927 1 12 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.817 -0.966 19849 5928 1 12 . 1 1 84 84 GLN CB C 84 29.619 29.619 28.706 0.913 19849 5929 1 12 . 1 1 84 84 GLN H H 84 8.430 8.430 7.776 0.654 19849 5930 1 12 . 1 1 85 85 ASP N N 85 121.550 121.550 122.347 -0.797 19849 5931 1 12 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.530 0.004 19849 5932 1 12 . 1 1 85 85 ASP C C 85 176.431 176.431 177.790 -1.359 19849 5933 1 12 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.819 -1.395 19849 5934 1 12 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.607 0.663 19849 5935 1 12 . 1 1 85 85 ASP H H 85 8.307 8.307 8.825 -0.518 19849 5936 1 12 . 1 1 86 86 SER N N 86 116.617 116.617 115.056 1.561 19849 5937 1 12 . 1 1 86 86 SER HA H 86 4.316 4.316 4.340 -0.024 19849 5938 1 12 . 1 1 86 86 SER C C 86 174.590 174.590 174.914 -0.324 19849 5939 1 12 . 1 1 86 86 SER CA C 86 58.797 58.797 60.273 -1.476 19849 5940 1 12 . 1 1 86 86 SER CB C 86 63.667 63.667 62.868 0.799 19849 5941 1 12 . 1 1 86 86 SER H H 86 8.231 8.231 8.356 -0.125 19849 5942 1 12 . 1 1 87 87 ALA N N 87 125.663 125.663 121.349 4.314 19849 5943 1 12 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.831 -0.541 19849 5944 1 12 . 1 1 87 87 ALA C C 87 178.018 178.018 176.797 1.221 19849 5945 1 12 . 1 1 87 87 ALA CA C 87 52.952 52.952 51.696 1.256 19849 5946 1 12 . 1 1 87 87 ALA CB C 87 19.117 19.117 20.256 -1.139 19849 5947 1 12 . 1 1 87 87 ALA H H 87 8.312 8.312 7.611 0.701 19849 5948 1 12 . 1 1 88 88 THR N N 88 112.987 112.987 115.506 -2.519 19849 5949 1 12 . 1 1 88 88 THR HA H 88 4.221 4.221 4.330 -0.109 19849 5950 1 12 . 1 1 88 88 THR C C 88 174.488 174.488 174.657 -0.169 19849 5951 1 12 . 1 1 88 88 THR CA C 88 62.115 62.115 65.045 -2.930 19849 5952 1 12 . 1 1 88 88 THR CB C 88 69.626 69.626 69.224 0.402 19849 5953 1 12 . 1 1 88 88 THR H H 88 7.997 7.997 7.693 0.304 19849 5954 1 12 . 1 1 89 89 LEU N N 89 124.655 124.655 114.720 9.935 19849 5955 1 12 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.749 -0.393 19849 5956 1 12 . 1 1 89 89 LEU C C 89 177.367 177.367 177.063 0.304 19849 5957 1 12 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.682 -1.419 19849 5958 1 12 . 1 1 89 89 LEU CB C 89 42.492 42.492 41.599 0.893 19849 5959 1 12 . 1 1 89 89 LEU H H 89 8.119 8.119 7.528 0.591 19849 5960 1 12 . 1 1 90 90 THR N N 90 115.527 115.527 109.661 5.866 19849 5961 1 12 . 1 1 90 90 THR HA H 90 4.261 4.261 4.213 0.048 19849 5962 1 12 . 1 1 90 90 THR CA C 90 61.707 61.707 63.530 -1.823 19849 5963 1 12 . 1 1 90 90 THR CB C 90 69.825 69.825 68.858 0.967 19849 5964 1 12 . 1 1 90 90 THR H H 90 8.086 8.086 8.117 -0.031 19849 5965 1 12 . 1 1 91 91 LYS N N 91 123.923 123.923 118.123 5.800 19849 5966 1 12 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.536 -0.243 19849 5967 1 12 . 1 1 91 91 LYS C C 91 175.949 175.949 175.683 0.266 19849 5968 1 12 . 1 1 91 91 LYS CA C 91 56.164 56.164 55.932 0.232 19849 5969 1 12 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.109 0.149 19849 5970 1 12 . 1 1 91 91 LYS H H 91 8.272 8.272 7.716 0.556 19849 5971 1 12 . 1 1 92 92 ASP N N 92 122.237 122.237 118.096 4.141 19849 5972 1 12 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.432 0.078 19849 5973 1 12 . 1 1 92 92 ASP C C 92 174.733 174.733 175.903 -1.170 19849 5974 1 12 . 1 1 92 92 ASP CA C 92 54.535 54.535 57.416 -2.881 19849 5975 1 12 . 1 1 92 92 ASP CB C 92 41.111 41.111 39.995 1.116 19849 5976 1 12 . 1 1 92 92 ASP H H 92 8.340 8.340 8.847 -0.507 19849 5977 1 13 . 1 1 2 2 VAL N N 2 120.462 120.462 119.800 0.662 19849 5978 1 13 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.425 0.083 19849 5979 1 13 . 1 1 2 2 VAL C C 2 174.797 174.797 174.133 0.664 19849 5980 1 13 . 1 1 2 2 VAL CA C 2 61.285 61.285 62.408 -1.123 19849 5981 1 13 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.437 -0.616 19849 5982 1 13 . 1 1 2 2 VAL H H 2 8.729 8.729 8.306 0.423 19849 5983 1 13 . 1 1 3 3 THR N N 3 113.531 113.531 118.197 -4.666 19849 5984 1 13 . 1 1 3 3 THR HA H 3 4.794 4.794 4.814 -0.020 19849 5985 1 13 . 1 1 3 3 THR C C 3 175.419 175.419 175.134 0.285 19849 5986 1 13 . 1 1 3 3 THR CA C 3 59.466 59.466 59.709 -0.243 19849 5987 1 13 . 1 1 3 3 THR H H 3 7.740 7.740 8.272 -0.532 19849 5988 1 13 . 1 1 4 4 LYS N N 4 121.981 121.981 125.110 -3.129 19849 5989 1 13 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.816 -0.379 19849 5990 1 13 . 1 1 4 4 LYS C C 4 177.186 177.186 177.169 0.017 19849 5991 1 13 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.589 1.127 19849 5992 1 13 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.673 1.537 19849 5993 1 13 . 1 1 4 4 LYS H H 4 9.168 9.168 8.907 0.261 19849 5994 1 13 . 1 1 5 5 GLU N N 5 117.723 117.723 118.955 -1.232 19849 5995 1 13 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.054 -0.002 19849 5996 1 13 . 1 1 5 5 GLU C C 5 179.351 179.351 178.720 0.631 19849 5997 1 13 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.286 1.222 19849 5998 1 13 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.280 -0.886 19849 5999 1 13 . 1 1 5 5 GLU H H 5 8.835 8.835 7.962 0.873 19849 6000 1 13 . 1 1 6 6 GLN N N 6 122.133 122.133 117.875 4.258 19849 6001 1 13 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.195 -0.186 19849 6002 1 13 . 1 1 6 6 GLN C C 6 178.109 178.109 177.911 0.198 19849 6003 1 13 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.298 0.580 19849 6004 1 13 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.045 0.828 19849 6005 1 13 . 1 1 6 6 GLN H H 6 7.867 7.867 7.607 0.260 19849 6006 1 13 . 1 1 7 7 VAL N N 7 120.130 120.130 121.736 -1.606 19849 6007 1 13 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.583 -0.446 19849 6008 1 13 . 1 1 7 7 VAL C C 7 177.807 177.807 178.048 -0.241 19849 6009 1 13 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.092 0.421 19849 6010 1 13 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.804 0.437 19849 6011 1 13 . 1 1 7 7 VAL H H 7 7.447 7.447 7.390 0.057 19849 6012 1 13 . 1 1 8 8 GLU N N 8 117.342 117.342 119.827 -2.485 19849 6013 1 13 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.869 -0.299 19849 6014 1 13 . 1 1 8 8 GLU C C 8 174.166 174.166 178.743 -4.577 19849 6015 1 13 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.981 -0.282 19849 6016 1 13 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.396 0.448 19849 6017 1 13 . 1 1 8 8 GLU H H 8 8.529 8.529 8.624 -0.095 19849 6018 1 13 . 1 1 9 9 ALA N N 9 124.344 124.344 120.923 3.421 19849 6019 1 13 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.072 0.348 19849 6020 1 13 . 1 1 9 9 ALA C C 9 177.996 177.996 179.456 -1.460 19849 6021 1 13 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.945 0.578 19849 6022 1 13 . 1 1 9 9 ALA H H 9 8.301 8.301 7.570 0.731 19849 6023 1 13 . 1 1 10 10 SER N N 10 117.198 117.198 116.223 0.975 19849 6024 1 13 . 1 1 10 10 SER HA H 10 4.374 4.374 4.298 0.076 19849 6025 1 13 . 1 1 10 10 SER C C 10 175.219 175.219 176.500 -1.281 19849 6026 1 13 . 1 1 10 10 SER CA C 10 62.207 62.207 62.484 -0.277 19849 6027 1 13 . 1 1 10 10 SER H H 10 8.303 8.303 7.851 0.452 19849 6028 1 13 . 1 1 11 11 LEU N N 11 118.287 118.287 122.301 -4.014 19849 6029 1 13 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.044 -0.230 19849 6030 1 13 . 1 1 11 11 LEU C C 11 179.247 179.247 178.803 0.444 19849 6031 1 13 . 1 1 11 11 LEU CA C 11 58.209 58.209 58.279 -0.070 19849 6032 1 13 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.699 0.829 19849 6033 1 13 . 1 1 11 11 LEU H H 11 7.973 7.973 8.685 -0.712 19849 6034 1 13 . 1 1 12 12 THR N N 12 116.416 116.416 114.012 2.404 19849 6035 1 13 . 1 1 12 12 THR HA H 12 3.530 3.530 3.995 -0.465 19849 6036 1 13 . 1 1 12 12 THR C C 12 176.464 176.464 175.754 0.710 19849 6037 1 13 . 1 1 12 12 THR CA C 12 67.016 67.016 65.663 1.353 19849 6038 1 13 . 1 1 12 12 THR CB C 12 68.586 68.586 68.582 0.004 19849 6039 1 13 . 1 1 12 12 THR H H 12 8.440 8.440 7.946 0.494 19849 6040 1 13 . 1 1 13 13 SER N N 13 115.144 115.144 116.266 -1.122 19849 6041 1 13 . 1 1 13 13 SER HA H 13 4.105 4.105 4.387 -0.282 19849 6042 1 13 . 1 1 13 13 SER C C 13 176.285 176.285 175.082 1.203 19849 6043 1 13 . 1 1 13 13 SER CA C 13 61.032 61.032 61.033 -0.001 19849 6044 1 13 . 1 1 13 13 SER CB C 13 63.045 63.045 63.526 -0.481 19849 6045 1 13 . 1 1 13 13 SER H H 13 8.022 8.022 7.555 0.467 19849 6046 1 13 . 1 1 14 14 LYS N N 14 116.028 116.028 120.286 -4.258 19849 6047 1 13 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.234 0.076 19849 6048 1 13 . 1 1 14 14 LYS C C 14 178.041 178.041 177.089 0.952 19849 6049 1 13 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.259 -0.417 19849 6050 1 13 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.251 0.606 19849 6051 1 13 . 1 1 14 14 LYS H H 14 7.466 7.466 7.917 -0.451 19849 6052 1 13 . 1 1 15 15 LEU N N 15 114.405 114.405 118.156 -3.751 19849 6053 1 13 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.376 0.043 19849 6054 1 13 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.551 0.373 19849 6055 1 13 . 1 1 15 15 LEU CB C 15 42.360 42.360 42.974 -0.614 19849 6056 1 13 . 1 1 15 15 LEU H H 15 7.842 7.842 7.905 -0.063 19849 6057 1 13 . 1 1 16 16 LYS N N 16 116.513 116.513 116.548 -0.035 19849 6058 1 13 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.103 0.017 19849 6059 1 13 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.532 -0.235 19849 6060 1 13 . 1 1 16 16 LYS H H 16 7.421 7.421 7.482 -0.061 19849 6061 1 13 . 1 1 17 17 PRO C C 17 177.159 177.159 175.483 1.676 19849 6062 1 13 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.455 -0.559 19849 6063 1 13 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.833 2.474 19849 6064 1 13 . 1 1 18 18 ILE N N 18 116.671 116.671 120.534 -3.863 19849 6065 1 13 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.171 0.123 19849 6066 1 13 . 1 1 18 18 ILE C C 18 175.085 175.085 176.347 -1.262 19849 6067 1 13 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.320 -0.293 19849 6068 1 13 . 1 1 18 18 ILE CB C 18 39.016 39.016 37.968 1.048 19849 6069 1 13 . 1 1 18 18 ILE H H 18 7.917 7.917 8.098 -0.181 19849 6070 1 13 . 1 1 19 19 HIS N N 19 117.574 117.574 118.451 -0.877 19849 6071 1 13 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.635 -0.193 19849 6072 1 13 . 1 1 19 19 HIS C C 19 171.727 171.727 172.980 -1.253 19849 6073 1 13 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.526 0.848 19849 6074 1 13 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.773 1.786 19849 6075 1 13 . 1 1 19 19 HIS H H 19 6.968 6.968 7.816 -0.848 19849 6076 1 13 . 1 1 20 20 LEU N N 20 128.803 128.803 127.023 1.780 19849 6077 1 13 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.168 -0.362 19849 6078 1 13 . 1 1 20 20 LEU C C 20 173.636 173.636 176.046 -2.410 19849 6079 1 13 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.466 -0.042 19849 6080 1 13 . 1 1 20 20 LEU CB C 20 45.564 45.564 43.298 2.266 19849 6081 1 13 . 1 1 20 20 LEU H H 20 7.928 7.928 8.152 -0.224 19849 6082 1 13 . 1 1 21 21 GLU N N 21 125.639 125.639 125.377 0.262 19849 6083 1 13 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.584 -0.074 19849 6084 1 13 . 1 1 21 21 GLU C C 21 174.143 174.143 174.933 -0.790 19849 6085 1 13 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.021 0.688 19849 6086 1 13 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.351 2.242 19849 6087 1 13 . 1 1 21 21 GLU H H 21 8.703 8.703 8.287 0.416 19849 6088 1 13 . 1 1 22 22 VAL N N 22 126.675 126.675 118.790 7.885 19849 6089 1 13 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.096 -0.479 19849 6090 1 13 . 1 1 22 22 VAL C C 22 173.843 173.843 174.683 -0.840 19849 6091 1 13 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.253 1.106 19849 6092 1 13 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.674 -0.003 19849 6093 1 13 . 1 1 22 22 VAL H H 22 8.936 8.936 8.442 0.494 19849 6094 1 13 . 1 1 23 23 ILE N N 23 126.078 126.078 124.088 1.990 19849 6095 1 13 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.503 -0.030 19849 6096 1 13 . 1 1 23 23 ILE C C 23 175.007 175.007 175.155 -0.148 19849 6097 1 13 . 1 1 23 23 ILE CA C 23 59.446 59.446 58.511 0.934 19849 6098 1 13 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.386 3.851 19849 6099 1 13 . 1 1 23 23 ILE H H 23 9.099 9.099 8.466 0.633 19849 6100 1 13 . 1 1 24 24 ASP N N 24 127.026 127.026 127.992 -0.966 19849 6101 1 13 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.592 0.018 19849 6102 1 13 . 1 1 24 24 ASP C C 24 176.888 176.888 176.468 0.420 19849 6103 1 13 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.188 -1.324 19849 6104 1 13 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.897 0.135 19849 6105 1 13 . 1 1 24 24 ASP H H 24 9.152 9.152 8.925 0.227 19849 6106 1 13 . 1 1 25 25 ILE N N 25 123.148 123.148 126.079 -2.931 19849 6107 1 13 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.163 0.429 19849 6108 1 13 . 1 1 25 25 ILE C C 25 175.765 175.765 176.260 -0.495 19849 6109 1 13 . 1 1 25 25 ILE CA C 25 61.112 61.112 62.204 -1.092 19849 6110 1 13 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.373 -1.460 19849 6111 1 13 . 1 1 25 25 ILE H H 25 7.915 7.915 7.878 0.037 19849 6112 1 13 . 1 1 26 26 SER N N 26 119.373 119.373 114.469 4.904 19849 6113 1 13 . 1 1 26 26 SER HA H 26 4.520 4.520 4.571 -0.051 19849 6114 1 13 . 1 1 26 26 SER C C 26 175.488 175.488 174.784 0.704 19849 6115 1 13 . 1 1 26 26 SER CA C 26 58.030 58.030 58.440 -0.410 19849 6116 1 13 . 1 1 26 26 SER CB C 26 64.605 64.605 65.098 -0.493 19849 6117 1 13 . 1 1 26 26 SER H H 26 9.175 9.175 7.860 1.315 19849 6118 1 13 . 1 1 27 27 GLY N N 27 111.902 111.902 109.571 2.331 19849 6119 1 13 . 1 1 27 27 GLY C C 27 175.418 175.418 173.333 2.085 19849 6120 1 13 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.551 0.884 19849 6121 1 13 . 1 1 27 27 GLY H H 27 8.417 8.417 7.936 0.481 19849 6122 1 13 . 1 1 28 28 GLY N N 28 106.936 106.936 107.421 -0.485 19849 6123 1 13 . 1 1 28 28 GLY C C 28 177.627 177.627 174.882 2.745 19849 6124 1 13 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.553 0.075 19849 6125 1 13 . 1 1 28 28 GLY H H 28 7.864 7.864 8.347 -0.483 19849 6126 1 13 . 1 1 29 29 CYS N N 29 116.829 116.829 118.022 -1.193 19849 6127 1 13 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.933 -0.570 19849 6128 1 13 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.605 -0.165 19849 6129 1 13 . 1 1 29 29 CYS CB C 29 27.858 27.858 29.410 -1.552 19849 6130 1 13 . 1 1 29 29 CYS H H 29 7.380 7.380 7.987 -0.607 19849 6131 1 13 . 1 1 30 30 GLY N N 30 111.626 111.626 108.586 3.040 19849 6132 1 13 . 1 1 30 30 GLY C C 30 173.383 173.383 173.892 -0.509 19849 6133 1 13 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.858 1.228 19849 6134 1 13 . 1 1 30 30 GLY H H 30 8.965 8.965 7.996 0.969 19849 6135 1 13 . 1 1 31 31 SER N N 31 111.735 111.735 116.090 -4.355 19849 6136 1 13 . 1 1 31 31 SER HA H 31 4.639 4.639 3.906 0.733 19849 6137 1 13 . 1 1 31 31 SER C C 31 174.246 174.246 173.767 0.479 19849 6138 1 13 . 1 1 31 31 SER CA C 31 58.203 58.203 59.578 -1.375 19849 6139 1 13 . 1 1 31 31 SER CB C 31 64.459 64.459 62.968 1.491 19849 6140 1 13 . 1 1 31 31 SER H H 31 8.220 8.220 8.065 0.155 19849 6141 1 13 . 1 1 32 32 SER N N 32 116.259 116.259 122.895 -6.636 19849 6142 1 13 . 1 1 32 32 SER HA H 32 5.346 5.346 4.754 0.592 19849 6143 1 13 . 1 1 32 32 SER C C 32 176.363 176.363 172.529 3.834 19849 6144 1 13 . 1 1 32 32 SER CA C 32 57.400 57.400 58.063 -0.663 19849 6145 1 13 . 1 1 32 32 SER CB C 32 62.866 62.866 65.606 -2.740 19849 6146 1 13 . 1 1 32 32 SER H H 32 7.253 7.253 8.233 -0.980 19849 6147 1 13 . 1 1 33 33 PHE N N 33 118.533 118.533 123.430 -4.897 19849 6148 1 13 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.144 0.512 19849 6149 1 13 . 1 1 33 33 PHE C C 33 174.163 174.163 174.966 -0.803 19849 6150 1 13 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.193 0.189 19849 6151 1 13 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.762 1.688 19849 6152 1 13 . 1 1 33 33 PHE H H 33 7.995 7.995 9.022 -1.027 19849 6153 1 13 . 1 1 34 34 GLU N N 34 122.301 122.301 123.138 -0.837 19849 6154 1 13 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.903 0.657 19849 6155 1 13 . 1 1 34 34 GLU C C 34 175.902 175.902 175.497 0.405 19849 6156 1 13 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.712 -1.336 19849 6157 1 13 . 1 1 34 34 GLU CB C 34 33.543 33.543 30.504 3.039 19849 6158 1 13 . 1 1 34 34 GLU H H 34 9.436 9.436 8.679 0.757 19849 6159 1 13 . 1 1 35 35 VAL N N 35 118.350 118.350 126.978 -8.628 19849 6160 1 13 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.846 0.523 19849 6161 1 13 . 1 1 35 35 VAL C C 35 174.616 174.616 174.005 0.611 19849 6162 1 13 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.565 -0.201 19849 6163 1 13 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.526 0.652 19849 6164 1 13 . 1 1 35 35 VAL H H 35 8.784 8.784 8.966 -0.182 19849 6165 1 13 . 1 1 36 36 GLU N N 36 123.537 123.537 128.357 -4.820 19849 6166 1 13 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.779 0.190 19849 6167 1 13 . 1 1 36 36 GLU C C 36 174.745 174.745 175.294 -0.549 19849 6168 1 13 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.154 0.037 19849 6169 1 13 . 1 1 36 36 GLU CB C 36 33.086 33.086 30.956 2.130 19849 6170 1 13 . 1 1 36 36 GLU H H 36 8.859 8.859 8.632 0.227 19849 6171 1 13 . 1 1 37 37 VAL N N 37 120.272 120.272 125.900 -5.628 19849 6172 1 13 . 1 1 37 37 VAL HA H 37 4.612 4.612 4.920 -0.308 19849 6173 1 13 . 1 1 37 37 VAL C C 37 172.679 172.679 174.897 -2.218 19849 6174 1 13 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.980 -0.690 19849 6175 1 13 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.606 0.415 19849 6176 1 13 . 1 1 37 37 VAL H H 37 8.497 8.497 9.259 -0.762 19849 6177 1 13 . 1 1 38 38 VAL N N 38 127.971 127.971 127.972 -0.001 19849 6178 1 13 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.215 0.042 19849 6179 1 13 . 1 1 38 38 VAL C C 38 175.842 175.842 174.607 1.235 19849 6180 1 13 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.919 -1.444 19849 6181 1 13 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.261 0.854 19849 6182 1 13 . 1 1 38 38 VAL H H 38 8.169 8.169 8.374 -0.205 19849 6183 1 13 . 1 1 39 39 SER N N 39 117.426 117.426 119.600 -2.174 19849 6184 1 13 . 1 1 39 39 SER HA H 39 4.821 4.821 4.694 0.127 19849 6185 1 13 . 1 1 39 39 SER C C 39 175.323 175.323 173.960 1.363 19849 6186 1 13 . 1 1 39 39 SER CA C 39 55.888 55.888 55.920 -0.032 19849 6187 1 13 . 1 1 39 39 SER CB C 39 64.183 64.183 65.737 -1.554 19849 6188 1 13 . 1 1 39 39 SER H H 39 8.304 8.304 7.986 0.318 19849 6189 1 13 . 1 1 40 40 GLU N N 40 131.571 131.571 122.347 9.224 19849 6190 1 13 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.023 0.096 19849 6191 1 13 . 1 1 40 40 GLU C C 40 177.887 177.887 177.199 0.688 19849 6192 1 13 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.774 -0.093 19849 6193 1 13 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.217 0.413 19849 6194 1 13 . 1 1 40 40 GLU H H 40 9.911 9.911 9.026 0.885 19849 6195 1 13 . 1 1 41 41 GLN N N 41 117.534 117.534 117.170 0.364 19849 6196 1 13 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.179 -0.195 19849 6197 1 13 . 1 1 41 41 GLN C C 41 176.391 176.391 175.985 0.406 19849 6198 1 13 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.218 0.225 19849 6199 1 13 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.640 0.263 19849 6200 1 13 . 1 1 41 41 GLN H H 41 8.219 8.219 7.861 0.358 19849 6201 1 13 . 1 1 42 42 PHE N N 42 113.224 113.224 116.218 -2.994 19849 6202 1 13 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.688 -0.162 19849 6203 1 13 . 1 1 42 42 PHE C C 42 175.064 175.064 175.137 -0.073 19849 6204 1 13 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.710 -0.571 19849 6205 1 13 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.423 -0.787 19849 6206 1 13 . 1 1 42 42 PHE H H 42 6.894 6.894 7.901 -1.007 19849 6207 1 13 . 1 1 43 43 GLU N N 43 121.136 121.136 121.956 -0.820 19849 6208 1 13 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.429 -0.462 19849 6209 1 13 . 1 1 43 43 GLU CA C 43 58.361 58.361 55.281 3.080 19849 6210 1 13 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.668 0.566 19849 6211 1 13 . 1 1 43 43 GLU H H 43 7.469 7.469 7.578 -0.109 19849 6212 1 13 . 1 1 44 44 GLY N N 44 114.819 114.819 117.265 -2.446 19849 6213 1 13 . 1 1 44 44 GLY C C 44 174.101 174.101 173.921 0.180 19849 6214 1 13 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.260 -0.635 19849 6215 1 13 . 1 1 44 44 GLY H H 44 9.014 9.014 8.680 0.334 19849 6216 1 13 . 1 1 45 45 LYS N N 45 118.678 118.678 119.488 -0.810 19849 6217 1 13 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.575 0.114 19849 6218 1 13 . 1 1 45 45 LYS C C 45 177.858 177.858 176.015 1.843 19849 6219 1 13 . 1 1 45 45 LYS CA C 45 53.561 53.561 55.013 -1.452 19849 6220 1 13 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.257 -0.815 19849 6221 1 13 . 1 1 45 45 LYS H H 45 7.932 7.932 7.407 0.525 19849 6222 1 13 . 1 1 46 46 ARG N N 46 125.430 125.430 121.265 4.165 19849 6223 1 13 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.451 -0.158 19849 6224 1 13 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.663 1.115 19849 6225 1 13 . 1 1 46 46 ARG H H 46 9.288 9.288 8.586 0.702 19849 6226 1 13 . 1 1 47 47 LEU N N 47 124.205 124.205 125.258 -1.053 19849 6227 1 13 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.661 0.041 19849 6228 1 13 . 1 1 47 47 LEU C C 47 178.476 178.476 178.081 0.395 19849 6229 1 13 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.334 2.356 19849 6230 1 13 . 1 1 47 47 LEU H H 47 8.320 8.320 8.997 -0.677 19849 6231 1 13 . 1 1 48 48 LEU N N 48 115.874 115.874 117.341 -1.467 19849 6232 1 13 . 1 1 48 48 LEU HA H 48 3.772 3.772 3.999 -0.227 19849 6233 1 13 . 1 1 48 48 LEU C C 48 179.985 179.985 179.306 0.679 19849 6234 1 13 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.892 0.731 19849 6235 1 13 . 1 1 48 48 LEU H H 48 8.587 8.587 8.035 0.552 19849 6236 1 13 . 1 1 49 49 GLU N N 49 118.216 118.216 119.056 -0.840 19849 6237 1 13 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.013 0.095 19849 6238 1 13 . 1 1 49 49 GLU C C 49 177.944 177.944 179.457 -1.513 19849 6239 1 13 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.162 -0.744 19849 6240 1 13 . 1 1 49 49 GLU H H 49 6.964 6.964 7.956 -0.992 19849 6241 1 13 . 1 1 50 50 ARG N N 50 119.674 119.674 119.521 0.153 19849 6242 1 13 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.260 -0.343 19849 6243 1 13 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.697 -0.623 19849 6244 1 13 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.114 -1.103 19849 6245 1 13 . 1 1 50 50 ARG H H 50 7.991 7.991 8.387 -0.396 19849 6246 1 13 . 1 1 51 51 HIS N N 51 117.056 117.056 117.808 -0.752 19849 6247 1 13 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.405 -0.409 19849 6248 1 13 . 1 1 51 51 HIS C C 51 176.638 176.638 177.867 -1.229 19849 6249 1 13 . 1 1 51 51 HIS H H 51 8.294 8.294 8.149 0.145 19849 6250 1 13 . 1 1 52 52 ARG N N 52 120.626 120.626 119.000 1.626 19849 6251 1 13 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.126 0.092 19849 6252 1 13 . 1 1 52 52 ARG C C 52 179.014 179.014 177.306 1.708 19849 6253 1 13 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.782 1.210 19849 6254 1 13 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.327 -0.768 19849 6255 1 13 . 1 1 52 52 ARG H H 52 8.001 8.001 8.344 -0.343 19849 6256 1 13 . 1 1 53 53 MET N N 53 119.087 119.087 117.895 1.192 19849 6257 1 13 . 1 1 53 53 MET HA H 53 4.006 4.006 4.466 -0.460 19849 6258 1 13 . 1 1 53 53 MET C C 53 179.286 179.286 177.858 1.428 19849 6259 1 13 . 1 1 53 53 MET CA C 53 59.404 59.404 57.255 2.150 19849 6260 1 13 . 1 1 53 53 MET CB C 53 34.976 34.976 33.213 1.763 19849 6261 1 13 . 1 1 53 53 MET H H 53 8.162 8.162 7.527 0.635 19849 6262 1 13 . 1 1 54 54 VAL N N 54 120.886 120.886 119.894 0.992 19849 6263 1 13 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.703 -0.278 19849 6264 1 13 . 1 1 54 54 VAL C C 54 176.296 176.296 178.091 -1.795 19849 6265 1 13 . 1 1 54 54 VAL CA C 54 66.833 66.833 65.897 0.936 19849 6266 1 13 . 1 1 54 54 VAL CB C 54 31.444 31.444 31.865 -0.421 19849 6267 1 13 . 1 1 54 54 VAL H H 54 7.790 7.790 8.180 -0.390 19849 6268 1 13 . 1 1 55 55 ASN N N 55 116.881 116.881 118.628 -1.747 19849 6269 1 13 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.604 -0.591 19849 6270 1 13 . 1 1 55 55 ASN C C 55 178.422 178.422 176.620 1.802 19849 6271 1 13 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.266 1.863 19849 6272 1 13 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.471 0.396 19849 6273 1 13 . 1 1 55 55 ASN H H 55 8.032 8.032 8.377 -0.345 19849 6274 1 13 . 1 1 56 56 ALA N N 56 121.164 121.164 121.349 -0.185 19849 6275 1 13 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.141 -0.058 19849 6276 1 13 . 1 1 56 56 ALA C C 56 180.700 180.700 178.227 2.473 19849 6277 1 13 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.392 0.208 19849 6278 1 13 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.466 -0.204 19849 6279 1 13 . 1 1 56 56 ALA H H 56 8.578 8.578 7.726 0.852 19849 6280 1 13 . 1 1 57 57 ALA N N 57 121.156 121.156 119.106 2.050 19849 6281 1 13 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.333 -0.301 19849 6282 1 13 . 1 1 57 57 ALA C C 57 177.240 177.240 177.422 -0.182 19849 6283 1 13 . 1 1 57 57 ALA CA C 57 54.087 54.087 54.349 -0.262 19849 6284 1 13 . 1 1 57 57 ALA CB C 57 18.462 18.462 18.769 -0.307 19849 6285 1 13 . 1 1 57 57 ALA H H 57 7.609 7.609 7.581 0.028 19849 6286 1 13 . 1 1 58 58 LEU N N 58 116.065 116.065 118.045 -1.980 19849 6287 1 13 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.445 0.450 19849 6288 1 13 . 1 1 58 58 LEU C C 58 176.446 176.446 177.442 -0.996 19849 6289 1 13 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.897 -2.376 19849 6290 1 13 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.370 0.383 19849 6291 1 13 . 1 1 58 58 LEU H H 58 6.995 6.995 7.542 -0.547 19849 6292 1 13 . 1 1 59 59 GLU N N 59 120.288 120.288 121.779 -1.491 19849 6293 1 13 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.986 -0.212 19849 6294 1 13 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.171 0.565 19849 6295 1 13 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.439 0.568 19849 6296 1 13 . 1 1 59 59 GLU H H 59 7.034 7.034 8.007 -0.973 19849 6297 1 13 . 1 1 60 60 GLU N N 60 116.322 116.322 118.124 -1.802 19849 6298 1 13 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.044 -0.014 19849 6299 1 13 . 1 1 60 60 GLU C C 60 179.270 179.270 178.980 0.290 19849 6300 1 13 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.394 -0.701 19849 6301 1 13 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.451 0.865 19849 6302 1 13 . 1 1 60 60 GLU H H 60 8.622 8.622 8.649 -0.027 19849 6303 1 13 . 1 1 61 61 GLU N N 61 121.506 121.506 119.238 2.268 19849 6304 1 13 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.073 -0.183 19849 6305 1 13 . 1 1 61 61 GLU C C 61 179.010 179.010 178.401 0.609 19849 6306 1 13 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.207 1.755 19849 6307 1 13 . 1 1 61 61 GLU CB C 61 28.475 28.475 28.934 -0.459 19849 6308 1 13 . 1 1 61 61 GLU H H 61 8.946 8.946 8.172 0.774 19849 6309 1 13 . 1 1 62 62 MET N N 62 116.213 116.213 118.776 -2.563 19849 6310 1 13 . 1 1 62 62 MET HA H 62 4.312 4.312 4.095 0.217 19849 6311 1 13 . 1 1 62 62 MET CA C 62 56.302 56.302 58.890 -2.588 19849 6312 1 13 . 1 1 62 62 MET CB C 62 30.553 30.553 32.598 -2.045 19849 6313 1 13 . 1 1 62 62 MET H H 62 8.693 8.693 8.157 0.536 19849 6314 1 13 . 1 1 63 63 LYS N N 63 116.969 116.969 116.342 0.627 19849 6315 1 13 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.114 -0.029 19849 6316 1 13 . 1 1 63 63 LYS C C 63 177.541 177.541 177.956 -0.415 19849 6317 1 13 . 1 1 63 63 LYS CA C 63 58.728 58.728 58.347 0.381 19849 6318 1 13 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.305 0.220 19849 6319 1 13 . 1 1 63 63 LYS H H 63 7.470 7.470 7.702 -0.232 19849 6320 1 13 . 1 1 64 64 GLU N N 64 115.556 115.556 117.995 -2.439 19849 6321 1 13 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.321 0.144 19849 6322 1 13 . 1 1 64 64 GLU C C 64 175.679 175.679 176.649 -0.970 19849 6323 1 13 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.663 -1.060 19849 6324 1 13 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.292 0.978 19849 6325 1 13 . 1 1 64 64 GLU H H 64 7.773 7.773 7.693 0.080 19849 6326 1 13 . 1 1 65 65 ILE N N 65 120.461 120.461 114.501 5.960 19849 6327 1 13 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.178 -0.099 19849 6328 1 13 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.579 2.129 19849 6329 1 13 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.288 -0.206 19849 6330 1 13 . 1 1 65 65 ILE H H 65 7.502 7.502 7.564 -0.062 19849 6331 1 13 . 1 1 66 66 HIS N N 66 125.683 125.683 117.280 8.403 19849 6332 1 13 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.786 -0.241 19849 6333 1 13 . 1 1 66 66 HIS CA C 66 57.683 57.683 56.053 1.630 19849 6334 1 13 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.793 -1.516 19849 6335 1 13 . 1 1 66 66 HIS H H 66 9.196 9.196 7.973 1.223 19849 6336 1 13 . 1 1 67 67 ALA N N 67 120.229 120.229 122.229 -2.000 19849 6337 1 13 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.479 -0.055 19849 6338 1 13 . 1 1 67 67 ALA C C 67 173.834 173.834 175.178 -1.344 19849 6339 1 13 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.463 -0.314 19849 6340 1 13 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.550 0.891 19849 6341 1 13 . 1 1 67 67 ALA H H 67 7.493 7.493 7.998 -0.505 19849 6342 1 13 . 1 1 68 68 LEU N N 68 124.546 124.546 122.355 2.191 19849 6343 1 13 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.201 -0.207 19849 6344 1 13 . 1 1 68 68 LEU C C 68 175.157 175.157 175.861 -0.704 19849 6345 1 13 . 1 1 68 68 LEU CA C 68 53.191 53.191 53.403 -0.212 19849 6346 1 13 . 1 1 68 68 LEU CB C 68 44.768 44.768 43.194 1.574 19849 6347 1 13 . 1 1 68 68 LEU H H 68 8.557 8.557 8.256 0.301 19849 6348 1 13 . 1 1 69 69 SER N N 69 122.077 122.077 121.052 1.025 19849 6349 1 13 . 1 1 69 69 SER HA H 69 4.677 4.677 4.661 0.016 19849 6350 1 13 . 1 1 69 69 SER C C 69 173.548 173.548 173.537 0.011 19849 6351 1 13 . 1 1 69 69 SER CA C 69 55.803 55.803 56.531 -0.728 19849 6352 1 13 . 1 1 69 69 SER CB C 69 63.549 63.549 63.420 0.129 19849 6353 1 13 . 1 1 69 69 SER H H 69 8.854 8.854 9.149 -0.295 19849 6354 1 13 . 1 1 70 70 ILE N N 70 129.143 129.143 129.981 -0.838 19849 6355 1 13 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.533 -0.427 19849 6356 1 13 . 1 1 70 70 ILE C C 70 175.059 175.059 174.799 0.260 19849 6357 1 13 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.530 0.103 19849 6358 1 13 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.220 -0.793 19849 6359 1 13 . 1 1 70 70 ILE H H 70 8.922 8.922 8.452 0.470 19849 6360 1 13 . 1 1 71 71 LYS N N 71 130.019 130.019 125.779 4.240 19849 6361 1 13 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.146 -0.074 19849 6362 1 13 . 1 1 71 71 LYS C C 71 177.201 177.201 176.936 0.265 19849 6363 1 13 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.637 0.301 19849 6364 1 13 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.772 0.654 19849 6365 1 13 . 1 1 71 71 LYS H H 71 8.676 8.676 7.898 0.778 19849 6366 1 13 . 1 1 72 72 LYS N N 72 113.659 113.659 120.133 -6.474 19849 6367 1 13 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.533 -0.058 19849 6368 1 13 . 1 1 72 72 LYS C C 72 174.013 174.013 174.053 -0.040 19849 6369 1 13 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.630 0.334 19849 6370 1 13 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.183 2.511 19849 6371 1 13 . 1 1 72 72 LYS H H 72 7.195 7.195 7.426 -0.231 19849 6372 1 13 . 1 1 73 73 ALA N N 73 129.019 129.019 129.276 -0.257 19849 6373 1 13 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.982 0.220 19849 6374 1 13 . 1 1 73 73 ALA C C 73 175.410 175.410 175.521 -0.111 19849 6375 1 13 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.358 0.590 19849 6376 1 13 . 1 1 73 73 ALA CB C 73 17.688 17.688 20.273 -2.585 19849 6377 1 13 . 1 1 73 73 ALA H H 73 8.847 8.847 8.723 0.124 19849 6378 1 13 . 1 1 74 74 GLN N N 74 120.993 120.993 122.667 -1.674 19849 6379 1 13 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.889 -0.043 19849 6380 1 13 . 1 1 74 74 GLN C C 74 175.603 175.603 174.716 0.887 19849 6381 1 13 . 1 1 74 74 GLN CA C 74 54.773 54.773 53.449 1.324 19849 6382 1 13 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.288 0.666 19849 6383 1 13 . 1 1 74 74 GLN H H 74 8.398 8.398 8.592 -0.194 19849 6384 1 13 . 1 1 75 75 THR N N 75 111.917 111.917 113.244 -1.327 19849 6385 1 13 . 1 1 75 75 THR HA H 75 4.866 4.866 4.898 -0.032 19849 6386 1 13 . 1 1 75 75 THR CA C 75 59.600 59.600 58.675 0.925 19849 6387 1 13 . 1 1 75 75 THR H H 75 8.920 8.920 8.634 0.286 19849 6388 1 13 . 1 1 76 76 PRO C C 76 177.659 177.659 177.159 0.500 19849 6389 1 13 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.466 0.977 19849 6390 1 13 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.379 0.497 19849 6391 1 13 . 1 1 77 77 GLN N N 77 114.329 114.329 116.848 -2.519 19849 6392 1 13 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.202 -0.136 19849 6393 1 13 . 1 1 77 77 GLN C C 77 177.630 177.630 177.293 0.337 19849 6394 1 13 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.371 0.281 19849 6395 1 13 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.771 0.467 19849 6396 1 13 . 1 1 77 77 GLN H H 77 8.481 8.481 8.491 -0.010 19849 6397 1 13 . 1 1 78 78 GLN N N 78 116.831 116.831 117.909 -1.078 19849 6398 1 13 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.356 -0.263 19849 6399 1 13 . 1 1 78 78 GLN C C 78 176.403 176.403 177.450 -1.047 19849 6400 1 13 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.608 -0.315 19849 6401 1 13 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.643 1.331 19849 6402 1 13 . 1 1 78 78 GLN H H 78 7.503 7.503 8.040 -0.537 19849 6403 1 13 . 1 1 79 79 TRP N N 79 120.561 120.561 121.392 -0.831 19849 6404 1 13 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.493 -0.106 19849 6405 1 13 . 1 1 79 79 TRP C C 79 175.429 175.429 176.835 -1.406 19849 6406 1 13 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.739 -1.178 19849 6407 1 13 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.202 1.712 19849 6408 1 13 . 1 1 79 79 TRP H H 79 7.668 7.668 8.567 -0.899 19849 6409 1 13 . 1 1 80 80 LYS N N 80 120.883 120.883 119.411 1.472 19849 6410 1 13 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.176 0.024 19849 6411 1 13 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.663 -5.625 19849 6412 1 13 . 1 1 80 80 LYS H H 80 7.768 7.768 8.070 -0.302 19849 6413 1 13 . 1 1 82 82 PRO C C 82 176.919 176.919 176.231 0.688 19849 6414 1 13 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.283 0.657 19849 6415 1 13 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.617 -0.591 19849 6416 1 13 . 1 1 83 83 SER N N 83 115.592 115.592 117.699 -2.107 19849 6417 1 13 . 1 1 83 83 SER HA H 83 4.315 4.315 4.513 -0.198 19849 6418 1 13 . 1 1 83 83 SER C C 83 174.665 174.665 174.221 0.444 19849 6419 1 13 . 1 1 83 83 SER CA C 83 58.162 58.162 58.703 -0.541 19849 6420 1 13 . 1 1 83 83 SER CB C 83 63.831 63.831 63.769 0.062 19849 6421 1 13 . 1 1 83 83 SER H H 83 8.264 8.264 8.565 -0.301 19849 6422 1 13 . 1 1 84 84 GLN N N 84 122.131 122.131 120.392 1.739 19849 6423 1 13 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.196 0.093 19849 6424 1 13 . 1 1 84 84 GLN C C 84 175.598 175.598 175.848 -0.250 19849 6425 1 13 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.953 -1.102 19849 6426 1 13 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.497 0.122 19849 6427 1 13 . 1 1 84 84 GLN H H 84 8.430 8.430 7.615 0.815 19849 6428 1 13 . 1 1 85 85 ASP N N 85 121.550 121.550 121.861 -0.311 19849 6429 1 13 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.597 -0.063 19849 6430 1 13 . 1 1 85 85 ASP C C 85 176.431 176.431 178.339 -1.908 19849 6431 1 13 . 1 1 85 85 ASP CA C 85 54.424 54.424 57.072 -2.648 19849 6432 1 13 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.761 0.509 19849 6433 1 13 . 1 1 85 85 ASP H H 85 8.307 8.307 8.454 -0.147 19849 6434 1 13 . 1 1 86 86 SER N N 86 116.617 116.617 115.765 0.852 19849 6435 1 13 . 1 1 86 86 SER HA H 86 4.316 4.316 4.213 0.103 19849 6436 1 13 . 1 1 86 86 SER C C 86 174.590 174.590 174.949 -0.359 19849 6437 1 13 . 1 1 86 86 SER CA C 86 58.797 58.797 61.217 -2.420 19849 6438 1 13 . 1 1 86 86 SER CB C 86 63.667 63.667 63.163 0.504 19849 6439 1 13 . 1 1 86 86 SER H H 86 8.231 8.231 8.535 -0.304 19849 6440 1 13 . 1 1 87 87 ALA N N 87 125.663 125.663 119.393 6.270 19849 6441 1 13 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.462 -0.172 19849 6442 1 13 . 1 1 87 87 ALA C C 87 178.018 178.018 178.072 -0.054 19849 6443 1 13 . 1 1 87 87 ALA CA C 87 52.952 52.952 53.573 -0.621 19849 6444 1 13 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.394 0.723 19849 6445 1 13 . 1 1 87 87 ALA H H 87 8.312 8.312 8.057 0.255 19849 6446 1 13 . 1 1 88 88 THR N N 88 112.987 112.987 112.318 0.669 19849 6447 1 13 . 1 1 88 88 THR HA H 88 4.221 4.221 4.603 -0.382 19849 6448 1 13 . 1 1 88 88 THR C C 88 174.488 174.488 174.608 -0.120 19849 6449 1 13 . 1 1 88 88 THR CA C 88 62.115 62.115 63.108 -0.993 19849 6450 1 13 . 1 1 88 88 THR CB C 88 69.626 69.626 70.247 -0.621 19849 6451 1 13 . 1 1 88 88 THR H H 88 7.997 7.997 7.686 0.311 19849 6452 1 13 . 1 1 89 89 LEU N N 89 124.655 124.655 119.728 4.927 19849 6453 1 13 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.706 -0.350 19849 6454 1 13 . 1 1 89 89 LEU C C 89 177.367 177.367 177.055 0.312 19849 6455 1 13 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.013 -0.750 19849 6456 1 13 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.598 -1.106 19849 6457 1 13 . 1 1 89 89 LEU H H 89 8.119 8.119 7.401 0.718 19849 6458 1 13 . 1 1 90 90 THR N N 90 115.527 115.527 113.311 2.216 19849 6459 1 13 . 1 1 90 90 THR HA H 90 4.261 4.261 4.302 -0.041 19849 6460 1 13 . 1 1 90 90 THR CA C 90 61.707 61.707 64.873 -3.166 19849 6461 1 13 . 1 1 90 90 THR CB C 90 69.825 69.825 69.137 0.688 19849 6462 1 13 . 1 1 90 90 THR H H 90 8.086 8.086 8.118 -0.032 19849 6463 1 13 . 1 1 91 91 LYS N N 91 123.923 123.923 120.076 3.847 19849 6464 1 13 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.470 -0.177 19849 6465 1 13 . 1 1 91 91 LYS C C 91 175.949 175.949 176.851 -0.902 19849 6466 1 13 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.943 -0.779 19849 6467 1 13 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.612 0.647 19849 6468 1 13 . 1 1 91 91 LYS H H 91 8.272 8.272 7.898 0.374 19849 6469 1 13 . 1 1 92 92 ASP N N 92 122.237 122.237 119.583 2.654 19849 6470 1 13 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.475 0.035 19849 6471 1 13 . 1 1 92 92 ASP C C 92 174.733 174.733 176.238 -1.505 19849 6472 1 13 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.852 -0.317 19849 6473 1 13 . 1 1 92 92 ASP CB C 92 41.111 41.111 41.341 -0.230 19849 6474 1 13 . 1 1 92 92 ASP H H 92 8.340 8.340 8.074 0.266 19849 6475 1 14 . 1 1 2 2 VAL N N 2 120.462 120.462 122.041 -1.579 19849 6476 1 14 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.507 0.001 19849 6477 1 14 . 1 1 2 2 VAL C C 2 174.797 174.797 173.858 0.939 19849 6478 1 14 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.726 -0.441 19849 6479 1 14 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.595 -1.774 19849 6480 1 14 . 1 1 2 2 VAL H H 2 8.729 8.729 8.384 0.345 19849 6481 1 14 . 1 1 3 3 THR N N 3 113.531 113.531 118.887 -5.356 19849 6482 1 14 . 1 1 3 3 THR HA H 3 4.794 4.794 4.853 -0.059 19849 6483 1 14 . 1 1 3 3 THR C C 3 175.419 175.419 175.033 0.386 19849 6484 1 14 . 1 1 3 3 THR CA C 3 59.466 59.466 59.630 -0.164 19849 6485 1 14 . 1 1 3 3 THR H H 3 7.740 7.740 8.175 -0.435 19849 6486 1 14 . 1 1 4 4 LYS N N 4 121.981 121.981 124.958 -2.977 19849 6487 1 14 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.847 -0.410 19849 6488 1 14 . 1 1 4 4 LYS C C 4 177.186 177.186 177.738 -0.552 19849 6489 1 14 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.625 1.091 19849 6490 1 14 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.325 0.885 19849 6491 1 14 . 1 1 4 4 LYS H H 4 9.168 9.168 9.013 0.155 19849 6492 1 14 . 1 1 5 5 GLU N N 5 117.723 117.723 118.084 -0.361 19849 6493 1 14 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.046 0.006 19849 6494 1 14 . 1 1 5 5 GLU C C 5 179.351 179.351 178.571 0.780 19849 6495 1 14 . 1 1 5 5 GLU CA C 5 60.508 60.508 58.970 1.538 19849 6496 1 14 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.617 -1.223 19849 6497 1 14 . 1 1 5 5 GLU H H 5 8.835 8.835 7.821 1.014 19849 6498 1 14 . 1 1 6 6 GLN N N 6 122.133 122.133 118.123 4.010 19849 6499 1 14 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.192 -0.183 19849 6500 1 14 . 1 1 6 6 GLN C C 6 178.109 178.109 177.949 0.160 19849 6501 1 14 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.285 0.593 19849 6502 1 14 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.239 0.634 19849 6503 1 14 . 1 1 6 6 GLN H H 6 7.867 7.867 7.651 0.216 19849 6504 1 14 . 1 1 7 7 VAL N N 7 120.130 120.130 121.317 -1.187 19849 6505 1 14 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.603 -0.466 19849 6506 1 14 . 1 1 7 7 VAL C C 7 177.807 177.807 177.837 -0.030 19849 6507 1 14 . 1 1 7 7 VAL CA C 7 66.513 66.513 65.954 0.559 19849 6508 1 14 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.643 0.598 19849 6509 1 14 . 1 1 7 7 VAL H H 7 7.447 7.447 7.309 0.138 19849 6510 1 14 . 1 1 8 8 GLU N N 8 117.342 117.342 120.018 -2.676 19849 6511 1 14 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.898 -0.328 19849 6512 1 14 . 1 1 8 8 GLU C C 8 174.166 174.166 178.665 -4.499 19849 6513 1 14 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.881 -0.182 19849 6514 1 14 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.914 0.930 19849 6515 1 14 . 1 1 8 8 GLU H H 8 8.529 8.529 8.357 0.172 19849 6516 1 14 . 1 1 9 9 ALA N N 9 124.344 124.344 119.870 4.474 19849 6517 1 14 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.290 0.130 19849 6518 1 14 . 1 1 9 9 ALA C C 9 177.996 177.996 179.646 -1.650 19849 6519 1 14 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.156 1.367 19849 6520 1 14 . 1 1 9 9 ALA H H 9 8.301 8.301 7.597 0.704 19849 6521 1 14 . 1 1 10 10 SER N N 10 117.198 117.198 115.362 1.836 19849 6522 1 14 . 1 1 10 10 SER HA H 10 4.374 4.374 4.257 0.117 19849 6523 1 14 . 1 1 10 10 SER C C 10 175.219 175.219 176.649 -1.430 19849 6524 1 14 . 1 1 10 10 SER CA C 10 62.207 62.207 61.357 0.850 19849 6525 1 14 . 1 1 10 10 SER H H 10 8.303 8.303 7.669 0.634 19849 6526 1 14 . 1 1 11 11 LEU N N 11 118.287 118.287 120.029 -1.742 19849 6527 1 14 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.281 -0.467 19849 6528 1 14 . 1 1 11 11 LEU C C 11 179.247 179.247 178.971 0.276 19849 6529 1 14 . 1 1 11 11 LEU CA C 11 58.209 58.209 56.719 1.490 19849 6530 1 14 . 1 1 11 11 LEU CB C 11 42.528 42.528 40.796 1.732 19849 6531 1 14 . 1 1 11 11 LEU H H 11 7.973 7.973 8.342 -0.369 19849 6532 1 14 . 1 1 12 12 THR N N 12 116.416 116.416 114.277 2.139 19849 6533 1 14 . 1 1 12 12 THR HA H 12 3.530 3.530 4.039 -0.509 19849 6534 1 14 . 1 1 12 12 THR C C 12 176.464 176.464 176.031 0.433 19849 6535 1 14 . 1 1 12 12 THR CA C 12 67.016 67.016 66.282 0.733 19849 6536 1 14 . 1 1 12 12 THR CB C 12 68.586 68.586 67.992 0.594 19849 6537 1 14 . 1 1 12 12 THR H H 12 8.440 8.440 7.744 0.696 19849 6538 1 14 . 1 1 13 13 SER N N 13 115.144 115.144 116.686 -1.542 19849 6539 1 14 . 1 1 13 13 SER HA H 13 4.105 4.105 4.347 -0.242 19849 6540 1 14 . 1 1 13 13 SER C C 13 176.285 176.285 175.729 0.556 19849 6541 1 14 . 1 1 13 13 SER CA C 13 61.032 61.032 61.368 -0.336 19849 6542 1 14 . 1 1 13 13 SER CB C 13 63.045 63.045 63.203 -0.158 19849 6543 1 14 . 1 1 13 13 SER H H 13 8.022 8.022 7.549 0.473 19849 6544 1 14 . 1 1 14 14 LYS N N 14 116.028 116.028 120.907 -4.879 19849 6545 1 14 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.230 0.080 19849 6546 1 14 . 1 1 14 14 LYS C C 14 178.041 178.041 178.839 -0.798 19849 6547 1 14 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.861 -1.019 19849 6548 1 14 . 1 1 14 14 LYS CB C 14 33.857 33.857 32.930 0.927 19849 6549 1 14 . 1 1 14 14 LYS H H 14 7.466 7.466 7.682 -0.216 19849 6550 1 14 . 1 1 15 15 LEU N N 15 114.405 114.405 117.479 -3.074 19849 6551 1 14 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.376 0.043 19849 6552 1 14 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.273 0.651 19849 6553 1 14 . 1 1 15 15 LEU CB C 15 42.360 42.360 44.073 -1.713 19849 6554 1 14 . 1 1 15 15 LEU H H 15 7.842 7.842 8.198 -0.356 19849 6555 1 14 . 1 1 16 16 LYS N N 16 116.513 116.513 117.012 -0.499 19849 6556 1 14 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.263 -0.143 19849 6557 1 14 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.634 -0.337 19849 6558 1 14 . 1 1 16 16 LYS H H 16 7.421 7.421 7.467 -0.046 19849 6559 1 14 . 1 1 17 17 PRO C C 17 177.159 177.159 175.531 1.628 19849 6560 1 14 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.198 -0.303 19849 6561 1 14 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.372 2.935 19849 6562 1 14 . 1 1 18 18 ILE N N 18 116.671 116.671 121.161 -4.490 19849 6563 1 14 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.052 0.242 19849 6564 1 14 . 1 1 18 18 ILE C C 18 175.085 175.085 176.754 -1.669 19849 6565 1 14 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.101 -1.074 19849 6566 1 14 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.108 0.908 19849 6567 1 14 . 1 1 18 18 ILE H H 18 7.917 7.917 8.012 -0.095 19849 6568 1 14 . 1 1 19 19 HIS N N 19 117.574 117.574 117.918 -0.344 19849 6569 1 14 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.683 -0.241 19849 6570 1 14 . 1 1 19 19 HIS C C 19 171.727 171.727 173.002 -1.275 19849 6571 1 14 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.683 0.691 19849 6572 1 14 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.298 1.261 19849 6573 1 14 . 1 1 19 19 HIS H H 19 6.968 6.968 7.939 -0.971 19849 6574 1 14 . 1 1 20 20 LEU N N 20 128.803 128.803 127.715 1.088 19849 6575 1 14 . 1 1 20 20 LEU HA H 20 4.806 4.806 4.967 -0.161 19849 6576 1 14 . 1 1 20 20 LEU C C 20 173.636 173.636 175.609 -1.973 19849 6577 1 14 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.271 -0.847 19849 6578 1 14 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.608 0.955 19849 6579 1 14 . 1 1 20 20 LEU H H 20 7.928 7.928 8.270 -0.342 19849 6580 1 14 . 1 1 21 21 GLU N N 21 125.639 125.639 126.859 -1.220 19849 6581 1 14 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.617 -0.107 19849 6582 1 14 . 1 1 21 21 GLU C C 21 174.143 174.143 175.067 -0.924 19849 6583 1 14 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.473 0.236 19849 6584 1 14 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.560 2.033 19849 6585 1 14 . 1 1 21 21 GLU H H 21 8.703 8.703 8.296 0.407 19849 6586 1 14 . 1 1 22 22 VAL N N 22 126.675 126.675 119.409 7.266 19849 6587 1 14 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.053 -0.436 19849 6588 1 14 . 1 1 22 22 VAL C C 22 173.843 173.843 174.350 -0.507 19849 6589 1 14 . 1 1 22 22 VAL CA C 22 61.359 61.359 59.939 1.420 19849 6590 1 14 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.855 -0.184 19849 6591 1 14 . 1 1 22 22 VAL H H 22 8.936 8.936 8.535 0.401 19849 6592 1 14 . 1 1 23 23 ILE N N 23 126.078 126.078 125.449 0.629 19849 6593 1 14 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.516 -0.043 19849 6594 1 14 . 1 1 23 23 ILE C C 23 175.007 175.007 174.751 0.256 19849 6595 1 14 . 1 1 23 23 ILE CA C 23 59.446 59.446 58.966 0.480 19849 6596 1 14 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.969 3.268 19849 6597 1 14 . 1 1 23 23 ILE H H 23 9.099 9.099 8.171 0.928 19849 6598 1 14 . 1 1 24 24 ASP N N 24 127.026 127.026 128.838 -1.812 19849 6599 1 14 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.597 0.013 19849 6600 1 14 . 1 1 24 24 ASP C C 24 176.888 176.888 176.261 0.627 19849 6601 1 14 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.232 -1.368 19849 6602 1 14 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.995 0.037 19849 6603 1 14 . 1 1 24 24 ASP H H 24 9.152 9.152 8.974 0.178 19849 6604 1 14 . 1 1 25 25 ILE N N 25 123.148 123.148 126.979 -3.831 19849 6605 1 14 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.231 0.361 19849 6606 1 14 . 1 1 25 25 ILE C C 25 175.765 175.765 176.434 -0.669 19849 6607 1 14 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.618 -0.506 19849 6608 1 14 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.364 -1.451 19849 6609 1 14 . 1 1 25 25 ILE H H 25 7.915 7.915 8.021 -0.106 19849 6610 1 14 . 1 1 26 26 SER N N 26 119.373 119.373 114.658 4.715 19849 6611 1 14 . 1 1 26 26 SER HA H 26 4.520 4.520 4.668 -0.148 19849 6612 1 14 . 1 1 26 26 SER C C 26 175.488 175.488 174.827 0.661 19849 6613 1 14 . 1 1 26 26 SER CA C 26 58.030 58.030 58.427 -0.397 19849 6614 1 14 . 1 1 26 26 SER CB C 26 64.605 64.605 65.166 -0.561 19849 6615 1 14 . 1 1 26 26 SER H H 26 9.175 9.175 8.064 1.111 19849 6616 1 14 . 1 1 27 27 GLY N N 27 111.902 111.902 109.615 2.287 19849 6617 1 14 . 1 1 27 27 GLY C C 27 175.418 175.418 173.326 2.092 19849 6618 1 14 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.581 0.854 19849 6619 1 14 . 1 1 27 27 GLY H H 27 8.417 8.417 7.894 0.523 19849 6620 1 14 . 1 1 28 28 GLY N N 28 106.936 106.936 107.743 -0.807 19849 6621 1 14 . 1 1 28 28 GLY C C 28 177.627 177.627 174.699 2.928 19849 6622 1 14 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.704 -0.076 19849 6623 1 14 . 1 1 28 28 GLY H H 28 7.864 7.864 8.304 -0.440 19849 6624 1 14 . 1 1 29 29 CYS N N 29 116.829 116.829 118.359 -1.530 19849 6625 1 14 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.524 -0.161 19849 6626 1 14 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.644 -0.204 19849 6627 1 14 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.318 -0.460 19849 6628 1 14 . 1 1 29 29 CYS H H 29 7.380 7.380 7.838 -0.458 19849 6629 1 14 . 1 1 30 30 GLY N N 30 111.626 111.626 107.434 4.192 19849 6630 1 14 . 1 1 30 30 GLY C C 30 173.383 173.383 173.483 -0.100 19849 6631 1 14 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.505 1.581 19849 6632 1 14 . 1 1 30 30 GLY H H 30 8.965 8.965 7.952 1.013 19849 6633 1 14 . 1 1 31 31 SER N N 31 111.735 111.735 115.300 -3.565 19849 6634 1 14 . 1 1 31 31 SER HA H 31 4.639 4.639 3.901 0.738 19849 6635 1 14 . 1 1 31 31 SER C C 31 174.246 174.246 173.802 0.444 19849 6636 1 14 . 1 1 31 31 SER CA C 31 58.203 58.203 59.606 -1.403 19849 6637 1 14 . 1 1 31 31 SER CB C 31 64.459 64.459 62.867 1.591 19849 6638 1 14 . 1 1 31 31 SER H H 31 8.220 8.220 7.684 0.536 19849 6639 1 14 . 1 1 32 32 SER N N 32 116.259 116.259 122.902 -6.643 19849 6640 1 14 . 1 1 32 32 SER HA H 32 5.346 5.346 4.797 0.549 19849 6641 1 14 . 1 1 32 32 SER C C 32 176.363 176.363 172.658 3.705 19849 6642 1 14 . 1 1 32 32 SER CA C 32 57.400 57.400 57.898 -0.498 19849 6643 1 14 . 1 1 32 32 SER CB C 32 62.866 62.866 65.058 -2.192 19849 6644 1 14 . 1 1 32 32 SER H H 32 7.253 7.253 8.223 -0.970 19849 6645 1 14 . 1 1 33 33 PHE N N 33 118.533 118.533 123.515 -4.982 19849 6646 1 14 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.243 0.413 19849 6647 1 14 . 1 1 33 33 PHE C C 33 174.163 174.163 175.041 -0.878 19849 6648 1 14 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.093 0.289 19849 6649 1 14 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.775 1.675 19849 6650 1 14 . 1 1 33 33 PHE H H 33 7.995 7.995 9.147 -1.152 19849 6651 1 14 . 1 1 34 34 GLU N N 34 122.301 122.301 122.791 -0.490 19849 6652 1 14 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.930 0.630 19849 6653 1 14 . 1 1 34 34 GLU C C 34 175.902 175.902 175.387 0.515 19849 6654 1 14 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.167 -0.791 19849 6655 1 14 . 1 1 34 34 GLU CB C 34 33.543 33.543 30.566 2.977 19849 6656 1 14 . 1 1 34 34 GLU H H 34 9.436 9.436 8.573 0.863 19849 6657 1 14 . 1 1 35 35 VAL N N 35 118.350 118.350 126.591 -8.241 19849 6658 1 14 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.947 0.422 19849 6659 1 14 . 1 1 35 35 VAL C C 35 174.616 174.616 174.120 0.496 19849 6660 1 14 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.638 -0.274 19849 6661 1 14 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.506 0.672 19849 6662 1 14 . 1 1 35 35 VAL H H 35 8.784 8.784 9.067 -0.283 19849 6663 1 14 . 1 1 36 36 GLU N N 36 123.537 123.537 128.461 -4.924 19849 6664 1 14 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.767 0.202 19849 6665 1 14 . 1 1 36 36 GLU C C 36 174.745 174.745 175.406 -0.661 19849 6666 1 14 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.143 0.048 19849 6667 1 14 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.388 1.698 19849 6668 1 14 . 1 1 36 36 GLU H H 36 8.859 8.859 8.511 0.348 19849 6669 1 14 . 1 1 37 37 VAL N N 37 120.272 120.272 125.952 -5.680 19849 6670 1 14 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.366 -0.754 19849 6671 1 14 . 1 1 37 37 VAL C C 37 172.679 172.679 174.902 -2.223 19849 6672 1 14 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.564 -0.274 19849 6673 1 14 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.781 0.240 19849 6674 1 14 . 1 1 37 37 VAL H H 37 8.497 8.497 8.813 -0.316 19849 6675 1 14 . 1 1 38 38 VAL N N 38 127.971 127.971 127.065 0.906 19849 6676 1 14 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.372 -0.115 19849 6677 1 14 . 1 1 38 38 VAL C C 38 175.842 175.842 174.578 1.264 19849 6678 1 14 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.839 -1.365 19849 6679 1 14 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.224 0.891 19849 6680 1 14 . 1 1 38 38 VAL H H 38 8.169 8.169 8.636 -0.467 19849 6681 1 14 . 1 1 39 39 SER N N 39 117.426 117.426 119.392 -1.966 19849 6682 1 14 . 1 1 39 39 SER HA H 39 4.821 4.821 4.682 0.139 19849 6683 1 14 . 1 1 39 39 SER C C 39 175.323 175.323 174.326 0.997 19849 6684 1 14 . 1 1 39 39 SER CA C 39 55.888 55.888 55.569 0.320 19849 6685 1 14 . 1 1 39 39 SER CB C 39 64.183 64.183 65.347 -1.164 19849 6686 1 14 . 1 1 39 39 SER H H 39 8.304 8.304 7.733 0.571 19849 6687 1 14 . 1 1 40 40 GLU N N 40 131.571 131.571 123.527 8.044 19849 6688 1 14 . 1 1 40 40 GLU HA H 40 4.119 4.119 3.997 0.122 19849 6689 1 14 . 1 1 40 40 GLU C C 40 177.887 177.887 176.970 0.917 19849 6690 1 14 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.680 0.001 19849 6691 1 14 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.187 0.443 19849 6692 1 14 . 1 1 40 40 GLU H H 40 9.911 9.911 8.993 0.918 19849 6693 1 14 . 1 1 41 41 GLN N N 41 117.534 117.534 117.502 0.032 19849 6694 1 14 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.189 -0.205 19849 6695 1 14 . 1 1 41 41 GLN C C 41 176.391 176.391 175.499 0.892 19849 6696 1 14 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.056 0.387 19849 6697 1 14 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.970 -0.067 19849 6698 1 14 . 1 1 41 41 GLN H H 41 8.219 8.219 7.803 0.416 19849 6699 1 14 . 1 1 42 42 PHE N N 42 113.224 113.224 115.602 -2.378 19849 6700 1 14 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.747 -0.221 19849 6701 1 14 . 1 1 42 42 PHE C C 42 175.064 175.064 175.091 -0.027 19849 6702 1 14 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.222 -0.083 19849 6703 1 14 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.923 -1.287 19849 6704 1 14 . 1 1 42 42 PHE H H 42 6.894 6.894 7.857 -0.963 19849 6705 1 14 . 1 1 43 43 GLU N N 43 121.136 121.136 121.965 -0.829 19849 6706 1 14 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.338 -0.371 19849 6707 1 14 . 1 1 43 43 GLU CA C 43 58.361 58.361 55.748 2.613 19849 6708 1 14 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.458 0.776 19849 6709 1 14 . 1 1 43 43 GLU H H 43 7.469 7.469 7.457 0.012 19849 6710 1 14 . 1 1 44 44 GLY N N 44 114.819 114.819 116.861 -2.042 19849 6711 1 14 . 1 1 44 44 GLY C C 44 174.101 174.101 174.833 -0.732 19849 6712 1 14 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.274 -0.649 19849 6713 1 14 . 1 1 44 44 GLY H H 44 9.014 9.014 8.800 0.214 19849 6714 1 14 . 1 1 45 45 LYS N N 45 118.678 118.678 120.058 -1.380 19849 6715 1 14 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.460 0.229 19849 6716 1 14 . 1 1 45 45 LYS C C 45 177.858 177.858 176.185 1.673 19849 6717 1 14 . 1 1 45 45 LYS CA C 45 53.561 53.561 55.256 -1.695 19849 6718 1 14 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.429 0.012 19849 6719 1 14 . 1 1 45 45 LYS H H 45 7.932 7.932 7.444 0.488 19849 6720 1 14 . 1 1 46 46 ARG N N 46 125.430 125.430 121.103 4.327 19849 6721 1 14 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.432 -0.139 19849 6722 1 14 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.751 1.028 19849 6723 1 14 . 1 1 46 46 ARG H H 46 9.288 9.288 8.634 0.654 19849 6724 1 14 . 1 1 47 47 LEU N N 47 124.205 124.205 124.115 0.090 19849 6725 1 14 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.661 0.041 19849 6726 1 14 . 1 1 47 47 LEU C C 47 178.476 178.476 178.666 -0.190 19849 6727 1 14 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.555 2.134 19849 6728 1 14 . 1 1 47 47 LEU H H 47 8.320 8.320 8.927 -0.607 19849 6729 1 14 . 1 1 48 48 LEU N N 48 115.874 115.874 118.210 -2.336 19849 6730 1 14 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.176 -0.404 19849 6731 1 14 . 1 1 48 48 LEU C C 48 179.985 179.985 179.100 0.885 19849 6732 1 14 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.375 0.248 19849 6733 1 14 . 1 1 48 48 LEU H H 48 8.587 8.587 8.013 0.574 19849 6734 1 14 . 1 1 49 49 GLU N N 49 118.216 118.216 118.842 -0.626 19849 6735 1 14 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.019 0.089 19849 6736 1 14 . 1 1 49 49 GLU C C 49 177.944 177.944 179.586 -1.642 19849 6737 1 14 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.191 -0.773 19849 6738 1 14 . 1 1 49 49 GLU H H 49 6.964 6.964 7.966 -1.002 19849 6739 1 14 . 1 1 50 50 ARG N N 50 119.674 119.674 119.627 0.047 19849 6740 1 14 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.465 -0.548 19849 6741 1 14 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.581 -0.506 19849 6742 1 14 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.067 -1.056 19849 6743 1 14 . 1 1 50 50 ARG H H 50 7.991 7.991 8.272 -0.281 19849 6744 1 14 . 1 1 51 51 HIS N N 51 117.056 117.056 118.168 -1.112 19849 6745 1 14 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.410 -0.414 19849 6746 1 14 . 1 1 51 51 HIS C C 51 176.638 176.638 178.170 -1.532 19849 6747 1 14 . 1 1 51 51 HIS H H 51 8.294 8.294 8.214 0.080 19849 6748 1 14 . 1 1 52 52 ARG N N 52 120.626 120.626 119.294 1.332 19849 6749 1 14 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.194 0.024 19849 6750 1 14 . 1 1 52 52 ARG C C 52 179.014 179.014 177.698 1.316 19849 6751 1 14 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.904 1.088 19849 6752 1 14 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.226 -0.667 19849 6753 1 14 . 1 1 52 52 ARG H H 52 8.001 8.001 8.580 -0.579 19849 6754 1 14 . 1 1 53 53 MET N N 53 119.087 119.087 118.548 0.539 19849 6755 1 14 . 1 1 53 53 MET HA H 53 4.006 4.006 4.477 -0.471 19849 6756 1 14 . 1 1 53 53 MET C C 53 179.286 179.286 178.080 1.206 19849 6757 1 14 . 1 1 53 53 MET CA C 53 59.404 59.404 57.199 2.205 19849 6758 1 14 . 1 1 53 53 MET CB C 53 34.976 34.976 33.174 1.802 19849 6759 1 14 . 1 1 53 53 MET H H 53 8.162 8.162 7.852 0.310 19849 6760 1 14 . 1 1 54 54 VAL N N 54 120.886 120.886 120.870 0.016 19849 6761 1 14 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.821 -0.396 19849 6762 1 14 . 1 1 54 54 VAL C C 54 176.296 176.296 177.815 -1.519 19849 6763 1 14 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.086 0.747 19849 6764 1 14 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.006 -0.562 19849 6765 1 14 . 1 1 54 54 VAL H H 54 7.790 7.790 8.371 -0.581 19849 6766 1 14 . 1 1 55 55 ASN N N 55 116.881 116.881 118.023 -1.142 19849 6767 1 14 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.606 -0.593 19849 6768 1 14 . 1 1 55 55 ASN C C 55 178.422 178.422 176.990 1.432 19849 6769 1 14 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.429 1.700 19849 6770 1 14 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.401 0.466 19849 6771 1 14 . 1 1 55 55 ASN H H 55 8.032 8.032 8.474 -0.442 19849 6772 1 14 . 1 1 56 56 ALA N N 56 121.164 121.164 122.903 -1.739 19849 6773 1 14 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.121 -0.038 19849 6774 1 14 . 1 1 56 56 ALA C C 56 180.700 180.700 178.511 2.189 19849 6775 1 14 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.700 -0.101 19849 6776 1 14 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.166 0.096 19849 6777 1 14 . 1 1 56 56 ALA H H 56 8.578 8.578 8.274 0.304 19849 6778 1 14 . 1 1 57 57 ALA N N 57 121.156 121.156 118.485 2.671 19849 6779 1 14 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.383 -0.351 19849 6780 1 14 . 1 1 57 57 ALA C C 57 177.240 177.240 177.873 -0.633 19849 6781 1 14 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.359 0.728 19849 6782 1 14 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.121 -0.659 19849 6783 1 14 . 1 1 57 57 ALA H H 57 7.609 7.609 7.478 0.131 19849 6784 1 14 . 1 1 58 58 LEU N N 58 116.065 116.065 117.663 -1.598 19849 6785 1 14 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.472 0.423 19849 6786 1 14 . 1 1 58 58 LEU C C 58 176.446 176.446 177.387 -0.941 19849 6787 1 14 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.297 -2.776 19849 6788 1 14 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.740 0.012 19849 6789 1 14 . 1 1 58 58 LEU H H 58 6.995 6.995 7.637 -0.642 19849 6790 1 14 . 1 1 59 59 GLU N N 59 120.288 120.288 121.662 -1.374 19849 6791 1 14 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.031 -0.257 19849 6792 1 14 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.995 0.741 19849 6793 1 14 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.372 0.635 19849 6794 1 14 . 1 1 59 59 GLU H H 59 7.034 7.034 8.336 -1.302 19849 6795 1 14 . 1 1 60 60 GLU N N 60 116.322 116.322 117.999 -1.677 19849 6796 1 14 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.068 -0.038 19849 6797 1 14 . 1 1 60 60 GLU C C 60 179.270 179.270 178.837 0.433 19849 6798 1 14 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.111 -0.418 19849 6799 1 14 . 1 1 60 60 GLU CB C 60 29.316 29.316 29.107 0.209 19849 6800 1 14 . 1 1 60 60 GLU H H 60 8.622 8.622 8.559 0.063 19849 6801 1 14 . 1 1 61 61 GLU N N 61 121.506 121.506 119.173 2.333 19849 6802 1 14 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.106 -0.216 19849 6803 1 14 . 1 1 61 61 GLU C C 61 179.010 179.010 178.425 0.585 19849 6804 1 14 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.083 1.879 19849 6805 1 14 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.201 -0.726 19849 6806 1 14 . 1 1 61 61 GLU H H 61 8.946 8.946 7.983 0.963 19849 6807 1 14 . 1 1 62 62 MET N N 62 116.213 116.213 118.258 -2.045 19849 6808 1 14 . 1 1 62 62 MET HA H 62 4.312 4.312 4.198 0.114 19849 6809 1 14 . 1 1 62 62 MET CA C 62 56.302 56.302 58.742 -2.440 19849 6810 1 14 . 1 1 62 62 MET CB C 62 30.553 30.553 32.835 -2.282 19849 6811 1 14 . 1 1 62 62 MET H H 62 8.693 8.693 8.425 0.268 19849 6812 1 14 . 1 1 63 63 LYS N N 63 116.969 116.969 114.784 2.185 19849 6813 1 14 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.212 -0.127 19849 6814 1 14 . 1 1 63 63 LYS C C 63 177.541 177.541 177.723 -0.182 19849 6815 1 14 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.958 0.770 19849 6816 1 14 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.239 0.286 19849 6817 1 14 . 1 1 63 63 LYS H H 63 7.470 7.470 7.518 -0.048 19849 6818 1 14 . 1 1 64 64 GLU N N 64 115.556 115.556 120.005 -4.449 19849 6819 1 14 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.365 0.100 19849 6820 1 14 . 1 1 64 64 GLU C C 64 175.679 175.679 176.475 -0.796 19849 6821 1 14 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.216 -0.613 19849 6822 1 14 . 1 1 64 64 GLU CB C 64 32.270 32.270 30.752 1.518 19849 6823 1 14 . 1 1 64 64 GLU H H 64 7.773 7.773 7.824 -0.051 19849 6824 1 14 . 1 1 65 65 ILE N N 65 120.461 120.461 114.908 5.553 19849 6825 1 14 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.487 -0.408 19849 6826 1 14 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.321 2.387 19849 6827 1 14 . 1 1 65 65 ILE CB C 65 40.082 40.082 40.236 -0.154 19849 6828 1 14 . 1 1 65 65 ILE H H 65 7.502 7.502 7.682 -0.180 19849 6829 1 14 . 1 1 66 66 HIS N N 66 125.683 125.683 119.844 5.839 19849 6830 1 14 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.722 -0.177 19849 6831 1 14 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.725 1.958 19849 6832 1 14 . 1 1 66 66 HIS CB C 66 30.277 30.277 32.281 -2.004 19849 6833 1 14 . 1 1 66 66 HIS H H 66 9.196 9.196 8.108 1.088 19849 6834 1 14 . 1 1 67 67 ALA N N 67 120.229 120.229 121.080 -0.851 19849 6835 1 14 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.294 0.130 19849 6836 1 14 . 1 1 67 67 ALA C C 67 173.834 173.834 174.932 -1.098 19849 6837 1 14 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.382 -0.233 19849 6838 1 14 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.433 1.008 19849 6839 1 14 . 1 1 67 67 ALA H H 67 7.493 7.493 7.922 -0.429 19849 6840 1 14 . 1 1 68 68 LEU N N 68 124.546 124.546 125.302 -0.756 19849 6841 1 14 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.110 -0.116 19849 6842 1 14 . 1 1 68 68 LEU C C 68 175.157 175.157 175.667 -0.510 19849 6843 1 14 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.887 -1.696 19849 6844 1 14 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.549 -0.781 19849 6845 1 14 . 1 1 68 68 LEU H H 68 8.557 8.557 8.610 -0.053 19849 6846 1 14 . 1 1 69 69 SER N N 69 122.077 122.077 122.265 -0.188 19849 6847 1 14 . 1 1 69 69 SER HA H 69 4.677 4.677 4.608 0.069 19849 6848 1 14 . 1 1 69 69 SER C C 69 173.548 173.548 173.459 0.089 19849 6849 1 14 . 1 1 69 69 SER CA C 69 55.803 55.803 58.211 -2.408 19849 6850 1 14 . 1 1 69 69 SER CB C 69 63.549 63.549 64.159 -0.611 19849 6851 1 14 . 1 1 69 69 SER H H 69 8.854 8.854 9.284 -0.430 19849 6852 1 14 . 1 1 70 70 ILE N N 70 129.143 129.143 128.721 0.422 19849 6853 1 14 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.309 -0.203 19849 6854 1 14 . 1 1 70 70 ILE C C 70 175.059 175.059 175.595 -0.536 19849 6855 1 14 . 1 1 70 70 ILE CA C 70 60.633 60.633 59.741 0.892 19849 6856 1 14 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.624 -1.197 19849 6857 1 14 . 1 1 70 70 ILE H H 70 8.922 8.922 8.853 0.069 19849 6858 1 14 . 1 1 71 71 LYS N N 71 130.019 130.019 128.073 1.946 19849 6859 1 14 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.188 -0.116 19849 6860 1 14 . 1 1 71 71 LYS C C 71 177.201 177.201 177.160 0.041 19849 6861 1 14 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.812 0.126 19849 6862 1 14 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.592 0.834 19849 6863 1 14 . 1 1 71 71 LYS H H 71 8.676 8.676 8.654 0.022 19849 6864 1 14 . 1 1 72 72 LYS N N 72 113.659 113.659 119.264 -5.605 19849 6865 1 14 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.466 0.009 19849 6866 1 14 . 1 1 72 72 LYS C C 72 174.013 174.013 173.874 0.139 19849 6867 1 14 . 1 1 72 72 LYS CA C 72 55.964 55.964 56.003 -0.039 19849 6868 1 14 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.536 2.158 19849 6869 1 14 . 1 1 72 72 LYS H H 72 7.195 7.195 7.479 -0.284 19849 6870 1 14 . 1 1 73 73 ALA N N 73 129.019 129.019 128.814 0.205 19849 6871 1 14 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.328 0.874 19849 6872 1 14 . 1 1 73 73 ALA C C 73 175.410 175.410 175.158 0.252 19849 6873 1 14 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.005 0.943 19849 6874 1 14 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.430 -1.742 19849 6875 1 14 . 1 1 73 73 ALA H H 73 8.847 8.847 8.668 0.179 19849 6876 1 14 . 1 1 74 74 GLN N N 74 120.993 120.993 121.302 -0.309 19849 6877 1 14 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.791 0.055 19849 6878 1 14 . 1 1 74 74 GLN C C 74 175.603 175.603 174.041 1.562 19849 6879 1 14 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.017 0.756 19849 6880 1 14 . 1 1 74 74 GLN CB C 74 34.955 34.955 33.033 1.922 19849 6881 1 14 . 1 1 74 74 GLN H H 74 8.398 8.398 8.063 0.335 19849 6882 1 14 . 1 1 75 75 THR N N 75 111.917 111.917 111.250 0.667 19849 6883 1 14 . 1 1 75 75 THR HA H 75 4.866 4.866 4.812 0.054 19849 6884 1 14 . 1 1 75 75 THR CA C 75 59.600 59.600 58.433 1.167 19849 6885 1 14 . 1 1 75 75 THR H H 75 8.920 8.920 8.577 0.343 19849 6886 1 14 . 1 1 76 76 PRO C C 76 177.659 177.659 177.591 0.068 19849 6887 1 14 . 1 1 76 76 PRO CA C 76 66.443 66.443 66.143 0.300 19849 6888 1 14 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.642 0.234 19849 6889 1 14 . 1 1 77 77 GLN N N 77 114.329 114.329 116.724 -2.395 19849 6890 1 14 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.056 0.010 19849 6891 1 14 . 1 1 77 77 GLN C C 77 177.630 177.630 177.804 -0.174 19849 6892 1 14 . 1 1 77 77 GLN CA C 77 58.652 58.652 59.034 -0.382 19849 6893 1 14 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.650 0.588 19849 6894 1 14 . 1 1 77 77 GLN H H 77 8.481 8.481 8.491 -0.010 19849 6895 1 14 . 1 1 78 78 GLN N N 78 116.831 116.831 117.401 -0.570 19849 6896 1 14 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.383 -0.290 19849 6897 1 14 . 1 1 78 78 GLN C C 78 176.403 176.403 177.461 -1.058 19849 6898 1 14 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.411 -0.118 19849 6899 1 14 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.048 1.926 19849 6900 1 14 . 1 1 78 78 GLN H H 78 7.503 7.503 7.567 -0.064 19849 6901 1 14 . 1 1 79 79 TRP N N 79 120.561 120.561 119.737 0.824 19849 6902 1 14 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.430 -0.043 19849 6903 1 14 . 1 1 79 79 TRP C C 79 175.429 175.429 176.415 -0.986 19849 6904 1 14 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.078 -0.517 19849 6905 1 14 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.818 1.096 19849 6906 1 14 . 1 1 79 79 TRP H H 79 7.668 7.668 7.860 -0.192 19849 6907 1 14 . 1 1 80 80 LYS N N 80 120.883 120.883 117.761 3.122 19849 6908 1 14 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.800 -0.600 19849 6909 1 14 . 1 1 80 80 LYS CA C 80 53.038 53.038 52.985 0.053 19849 6910 1 14 . 1 1 80 80 LYS H H 80 7.768 7.768 7.664 0.104 19849 6911 1 14 . 1 1 82 82 PRO C C 82 176.919 176.919 177.492 -0.573 19849 6912 1 14 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.398 -0.458 19849 6913 1 14 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.911 0.115 19849 6914 1 14 . 1 1 83 83 SER N N 83 115.592 115.592 118.159 -2.567 19849 6915 1 14 . 1 1 83 83 SER HA H 83 4.315 4.315 4.494 -0.179 19849 6916 1 14 . 1 1 83 83 SER C C 83 174.665 174.665 174.221 0.444 19849 6917 1 14 . 1 1 83 83 SER CA C 83 58.162 58.162 58.265 -0.103 19849 6918 1 14 . 1 1 83 83 SER CB C 83 63.831 63.831 62.735 1.096 19849 6919 1 14 . 1 1 83 83 SER H H 83 8.264 8.264 8.552 -0.288 19849 6920 1 14 . 1 1 84 84 GLN N N 84 122.131 122.131 119.709 2.422 19849 6921 1 14 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.380 -0.091 19849 6922 1 14 . 1 1 84 84 GLN C C 84 175.598 175.598 176.016 -0.418 19849 6923 1 14 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.557 -1.706 19849 6924 1 14 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.758 -0.139 19849 6925 1 14 . 1 1 84 84 GLN H H 84 8.430 8.430 8.448 -0.018 19849 6926 1 14 . 1 1 85 85 ASP N N 85 121.550 121.550 119.758 1.792 19849 6927 1 14 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.622 -0.088 19849 6928 1 14 . 1 1 85 85 ASP C C 85 176.431 176.431 177.884 -1.453 19849 6929 1 14 . 1 1 85 85 ASP CA C 85 54.424 54.424 54.744 -0.320 19849 6930 1 14 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.661 0.609 19849 6931 1 14 . 1 1 85 85 ASP H H 85 8.307 8.307 8.695 -0.388 19849 6932 1 14 . 1 1 86 86 SER N N 86 116.617 116.617 115.762 0.855 19849 6933 1 14 . 1 1 86 86 SER HA H 86 4.316 4.316 4.158 0.158 19849 6934 1 14 . 1 1 86 86 SER C C 86 174.590 174.590 175.355 -0.765 19849 6935 1 14 . 1 1 86 86 SER CA C 86 58.797 58.797 61.189 -2.392 19849 6936 1 14 . 1 1 86 86 SER CB C 86 63.667 63.667 63.154 0.513 19849 6937 1 14 . 1 1 86 86 SER H H 86 8.231 8.231 8.776 -0.545 19849 6938 1 14 . 1 1 87 87 ALA N N 87 125.663 125.663 120.278 5.385 19849 6939 1 14 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.814 -0.524 19849 6940 1 14 . 1 1 87 87 ALA C C 87 178.018 178.018 176.879 1.139 19849 6941 1 14 . 1 1 87 87 ALA CA C 87 52.952 52.952 51.610 1.342 19849 6942 1 14 . 1 1 87 87 ALA CB C 87 19.117 19.117 19.216 -0.099 19849 6943 1 14 . 1 1 87 87 ALA H H 87 8.312 8.312 8.357 -0.045 19849 6944 1 14 . 1 1 88 88 THR N N 88 112.987 112.987 115.541 -2.554 19849 6945 1 14 . 1 1 88 88 THR HA H 88 4.221 4.221 4.369 -0.148 19849 6946 1 14 . 1 1 88 88 THR C C 88 174.488 174.488 175.316 -0.828 19849 6947 1 14 . 1 1 88 88 THR CA C 88 62.115 62.115 65.250 -3.135 19849 6948 1 14 . 1 1 88 88 THR CB C 88 69.626 69.626 69.706 -0.080 19849 6949 1 14 . 1 1 88 88 THR H H 88 7.997 7.997 7.790 0.207 19849 6950 1 14 . 1 1 89 89 LEU N N 89 124.655 124.655 118.847 5.808 19849 6951 1 14 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.539 -0.183 19849 6952 1 14 . 1 1 89 89 LEU C C 89 177.367 177.367 176.188 1.179 19849 6953 1 14 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.344 -0.081 19849 6954 1 14 . 1 1 89 89 LEU CB C 89 42.492 42.492 44.291 -1.799 19849 6955 1 14 . 1 1 89 89 LEU H H 89 8.119 8.119 7.977 0.142 19849 6956 1 14 . 1 1 90 90 THR N N 90 115.527 115.527 110.753 4.774 19849 6957 1 14 . 1 1 90 90 THR HA H 90 4.261 4.261 4.201 0.060 19849 6958 1 14 . 1 1 90 90 THR CA C 90 61.707 61.707 63.901 -2.194 19849 6959 1 14 . 1 1 90 90 THR CB C 90 69.825 69.825 66.843 2.982 19849 6960 1 14 . 1 1 90 90 THR H H 90 8.086 8.086 8.053 0.033 19849 6961 1 14 . 1 1 91 91 LYS N N 91 123.923 123.923 119.199 4.724 19849 6962 1 14 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.457 -0.164 19849 6963 1 14 . 1 1 91 91 LYS C C 91 175.949 175.949 176.567 -0.618 19849 6964 1 14 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.105 0.059 19849 6965 1 14 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.920 -0.661 19849 6966 1 14 . 1 1 91 91 LYS H H 91 8.272 8.272 7.771 0.501 19849 6967 1 14 . 1 1 92 92 ASP N N 92 122.237 122.237 116.933 5.304 19849 6968 1 14 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.252 0.258 19849 6969 1 14 . 1 1 92 92 ASP C C 92 174.733 174.733 175.436 -0.703 19849 6970 1 14 . 1 1 92 92 ASP CA C 92 54.535 54.535 55.134 -0.599 19849 6971 1 14 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.318 0.793 19849 6972 1 14 . 1 1 92 92 ASP H H 92 8.340 8.340 8.361 -0.021 19849 6973 1 15 . 1 1 2 2 VAL N N 2 120.462 120.462 125.813 -5.351 19849 6974 1 15 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.370 0.138 19849 6975 1 15 . 1 1 2 2 VAL C C 2 174.797 174.797 175.364 -0.567 19849 6976 1 15 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.803 -0.518 19849 6977 1 15 . 1 1 2 2 VAL CB C 2 33.821 33.821 33.662 0.159 19849 6978 1 15 . 1 1 2 2 VAL H H 2 8.729 8.729 8.717 0.012 19849 6979 1 15 . 1 1 3 3 THR N N 3 113.531 113.531 114.170 -0.639 19849 6980 1 15 . 1 1 3 3 THR HA H 3 4.794 4.794 4.579 0.215 19849 6981 1 15 . 1 1 3 3 THR C C 3 175.419 175.419 174.503 0.916 19849 6982 1 15 . 1 1 3 3 THR CA C 3 59.466 59.466 61.019 -1.553 19849 6983 1 15 . 1 1 3 3 THR H H 3 7.740 7.740 8.171 -0.431 19849 6984 1 15 . 1 1 4 4 LYS N N 4 121.981 121.981 122.525 -0.544 19849 6985 1 15 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.802 -0.365 19849 6986 1 15 . 1 1 4 4 LYS C C 4 177.186 177.186 177.550 -0.364 19849 6987 1 15 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.622 1.094 19849 6988 1 15 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.386 0.824 19849 6989 1 15 . 1 1 4 4 LYS H H 4 9.168 9.168 8.978 0.190 19849 6990 1 15 . 1 1 5 5 GLU N N 5 117.723 117.723 117.076 0.647 19849 6991 1 15 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.174 -0.122 19849 6992 1 15 . 1 1 5 5 GLU C C 5 179.351 179.351 178.502 0.849 19849 6993 1 15 . 1 1 5 5 GLU CA C 5 60.508 60.508 58.772 1.736 19849 6994 1 15 . 1 1 5 5 GLU CB C 5 28.394 28.394 28.887 -0.493 19849 6995 1 15 . 1 1 5 5 GLU H H 5 8.835 8.835 8.685 0.150 19849 6996 1 15 . 1 1 6 6 GLN N N 6 122.133 122.133 118.781 3.352 19849 6997 1 15 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.201 -0.192 19849 6998 1 15 . 1 1 6 6 GLN C C 6 178.109 178.109 177.958 0.151 19849 6999 1 15 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.286 0.592 19849 7000 1 15 . 1 1 6 6 GLN CB C 6 28.873 28.873 27.968 0.905 19849 7001 1 15 . 1 1 6 6 GLN H H 6 7.867 7.867 7.696 0.171 19849 7002 1 15 . 1 1 7 7 VAL N N 7 120.130 120.130 120.832 -0.702 19849 7003 1 15 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.490 -0.353 19849 7004 1 15 . 1 1 7 7 VAL C C 7 177.807 177.807 178.014 -0.207 19849 7005 1 15 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.359 0.154 19849 7006 1 15 . 1 1 7 7 VAL CB C 7 31.241 31.241 31.113 0.127 19849 7007 1 15 . 1 1 7 7 VAL H H 7 7.447 7.447 7.285 0.162 19849 7008 1 15 . 1 1 8 8 GLU N N 8 117.342 117.342 119.806 -2.464 19849 7009 1 15 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.960 -0.390 19849 7010 1 15 . 1 1 8 8 GLU C C 8 174.166 174.166 178.628 -4.462 19849 7011 1 15 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.334 0.365 19849 7012 1 15 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.844 1.000 19849 7013 1 15 . 1 1 8 8 GLU H H 8 8.529 8.529 7.938 0.591 19849 7014 1 15 . 1 1 9 9 ALA N N 9 124.344 124.344 121.302 3.042 19849 7015 1 15 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.096 0.324 19849 7016 1 15 . 1 1 9 9 ALA C C 9 177.996 177.996 179.131 -1.135 19849 7017 1 15 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.836 0.687 19849 7018 1 15 . 1 1 9 9 ALA H H 9 8.301 8.301 7.625 0.676 19849 7019 1 15 . 1 1 10 10 SER N N 10 117.198 117.198 115.237 1.961 19849 7020 1 15 . 1 1 10 10 SER HA H 10 4.374 4.374 4.182 0.192 19849 7021 1 15 . 1 1 10 10 SER C C 10 175.219 175.219 176.565 -1.346 19849 7022 1 15 . 1 1 10 10 SER CA C 10 62.207 62.207 61.648 0.560 19849 7023 1 15 . 1 1 10 10 SER H H 10 8.303 8.303 7.825 0.478 19849 7024 1 15 . 1 1 11 11 LEU N N 11 118.287 118.287 121.430 -3.143 19849 7025 1 15 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.075 -0.261 19849 7026 1 15 . 1 1 11 11 LEU C C 11 179.247 179.247 178.814 0.433 19849 7027 1 15 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.811 0.398 19849 7028 1 15 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.751 0.777 19849 7029 1 15 . 1 1 11 11 LEU H H 11 7.973 7.973 8.213 -0.240 19849 7030 1 15 . 1 1 12 12 THR N N 12 116.416 116.416 114.990 1.426 19849 7031 1 15 . 1 1 12 12 THR HA H 12 3.530 3.530 3.918 -0.388 19849 7032 1 15 . 1 1 12 12 THR C C 12 176.464 176.464 175.901 0.563 19849 7033 1 15 . 1 1 12 12 THR CA C 12 67.016 67.016 66.544 0.472 19849 7034 1 15 . 1 1 12 12 THR CB C 12 68.586 68.586 68.577 0.009 19849 7035 1 15 . 1 1 12 12 THR H H 12 8.440 8.440 8.231 0.209 19849 7036 1 15 . 1 1 13 13 SER N N 13 115.144 115.144 117.155 -2.011 19849 7037 1 15 . 1 1 13 13 SER HA H 13 4.105 4.105 4.376 -0.271 19849 7038 1 15 . 1 1 13 13 SER C C 13 176.285 176.285 175.531 0.754 19849 7039 1 15 . 1 1 13 13 SER CA C 13 61.032 61.032 61.109 -0.077 19849 7040 1 15 . 1 1 13 13 SER CB C 13 63.045 63.045 63.489 -0.444 19849 7041 1 15 . 1 1 13 13 SER H H 13 8.022 8.022 7.632 0.390 19849 7042 1 15 . 1 1 14 14 LYS N N 14 116.028 116.028 119.527 -3.499 19849 7043 1 15 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.151 0.159 19849 7044 1 15 . 1 1 14 14 LYS C C 14 178.041 178.041 177.527 0.514 19849 7045 1 15 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.901 -1.059 19849 7046 1 15 . 1 1 14 14 LYS CB C 14 33.857 33.857 32.848 1.009 19849 7047 1 15 . 1 1 14 14 LYS H H 14 7.466 7.466 7.756 -0.290 19849 7048 1 15 . 1 1 15 15 LEU N N 15 114.405 114.405 117.159 -2.754 19849 7049 1 15 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.288 0.131 19849 7050 1 15 . 1 1 15 15 LEU CA C 15 53.924 53.924 54.269 -0.345 19849 7051 1 15 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.029 -0.669 19849 7052 1 15 . 1 1 15 15 LEU H H 15 7.842 7.842 8.023 -0.181 19849 7053 1 15 . 1 1 16 16 LYS N N 16 116.513 116.513 116.246 0.267 19849 7054 1 15 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.238 -0.118 19849 7055 1 15 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.388 -0.091 19849 7056 1 15 . 1 1 16 16 LYS H H 16 7.421 7.421 7.432 -0.011 19849 7057 1 15 . 1 1 17 17 PRO C C 17 177.159 177.159 175.481 1.678 19849 7058 1 15 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.477 -0.582 19849 7059 1 15 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.398 2.909 19849 7060 1 15 . 1 1 18 18 ILE N N 18 116.671 116.671 120.571 -3.900 19849 7061 1 15 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.101 0.193 19849 7062 1 15 . 1 1 18 18 ILE C C 18 175.085 175.085 176.539 -1.454 19849 7063 1 15 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.162 -1.135 19849 7064 1 15 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.298 0.718 19849 7065 1 15 . 1 1 18 18 ILE H H 18 7.917 7.917 8.074 -0.157 19849 7066 1 15 . 1 1 19 19 HIS N N 19 117.574 117.574 118.353 -0.779 19849 7067 1 15 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.684 -0.242 19849 7068 1 15 . 1 1 19 19 HIS C C 19 171.727 171.727 172.936 -1.209 19849 7069 1 15 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.499 0.875 19849 7070 1 15 . 1 1 19 19 HIS CB C 19 32.559 32.559 31.142 1.417 19849 7071 1 15 . 1 1 19 19 HIS H H 19 6.968 6.968 7.772 -0.804 19849 7072 1 15 . 1 1 20 20 LEU N N 20 128.803 128.803 128.228 0.575 19849 7073 1 15 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.005 -0.199 19849 7074 1 15 . 1 1 20 20 LEU C C 20 173.636 173.636 175.322 -1.686 19849 7075 1 15 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.276 -0.853 19849 7076 1 15 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.341 1.223 19849 7077 1 15 . 1 1 20 20 LEU H H 20 7.928 7.928 8.280 -0.352 19849 7078 1 15 . 1 1 21 21 GLU N N 21 125.639 125.639 127.558 -1.919 19849 7079 1 15 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.648 -0.138 19849 7080 1 15 . 1 1 21 21 GLU C C 21 174.143 174.143 174.987 -0.844 19849 7081 1 15 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.186 0.523 19849 7082 1 15 . 1 1 21 21 GLU CB C 21 33.593 33.593 30.910 2.683 19849 7083 1 15 . 1 1 21 21 GLU H H 21 8.703 8.703 8.393 0.310 19849 7084 1 15 . 1 1 22 22 VAL N N 22 126.675 126.675 123.882 2.793 19849 7085 1 15 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.036 -0.419 19849 7086 1 15 . 1 1 22 22 VAL C C 22 173.843 173.843 175.678 -1.835 19849 7087 1 15 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.941 0.419 19849 7088 1 15 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.383 0.288 19849 7089 1 15 . 1 1 22 22 VAL H H 22 8.936 8.936 8.488 0.448 19849 7090 1 15 . 1 1 23 23 ILE N N 23 126.078 126.078 126.832 -0.754 19849 7091 1 15 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.355 0.118 19849 7092 1 15 . 1 1 23 23 ILE C C 23 175.007 175.007 174.804 0.203 19849 7093 1 15 . 1 1 23 23 ILE CA C 23 59.446 59.446 58.779 0.666 19849 7094 1 15 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.809 3.428 19849 7095 1 15 . 1 1 23 23 ILE H H 23 9.099 9.099 8.854 0.245 19849 7096 1 15 . 1 1 24 24 ASP N N 24 127.026 127.026 128.723 -1.697 19849 7097 1 15 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.612 -0.002 19849 7098 1 15 . 1 1 24 24 ASP C C 24 176.888 176.888 175.822 1.066 19849 7099 1 15 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.422 -1.558 19849 7100 1 15 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.964 0.068 19849 7101 1 15 . 1 1 24 24 ASP H H 24 9.152 9.152 8.912 0.240 19849 7102 1 15 . 1 1 25 25 ILE N N 25 123.148 123.148 124.753 -1.605 19849 7103 1 15 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.176 0.416 19849 7104 1 15 . 1 1 25 25 ILE C C 25 175.765 175.765 175.841 -0.076 19849 7105 1 15 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.395 -0.283 19849 7106 1 15 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.821 -1.908 19849 7107 1 15 . 1 1 25 25 ILE H H 25 7.915 7.915 7.634 0.281 19849 7108 1 15 . 1 1 26 26 SER N N 26 119.373 119.373 114.797 4.576 19849 7109 1 15 . 1 1 26 26 SER HA H 26 4.520 4.520 4.029 0.491 19849 7110 1 15 . 1 1 26 26 SER C C 26 175.488 175.488 174.262 1.226 19849 7111 1 15 . 1 1 26 26 SER CA C 26 58.030 58.030 59.565 -1.535 19849 7112 1 15 . 1 1 26 26 SER CB C 26 64.605 64.605 62.138 2.467 19849 7113 1 15 . 1 1 26 26 SER H H 26 9.175 9.175 7.829 1.346 19849 7114 1 15 . 1 1 27 27 GLY N N 27 111.902 111.902 109.170 2.732 19849 7115 1 15 . 1 1 27 27 GLY C C 27 175.418 175.418 174.285 1.133 19849 7116 1 15 . 1 1 27 27 GLY CA C 27 46.435 46.435 44.899 1.536 19849 7117 1 15 . 1 1 27 27 GLY H H 27 8.417 8.417 8.473 -0.057 19849 7118 1 15 . 1 1 28 28 GLY N N 28 106.936 106.936 109.361 -2.425 19849 7119 1 15 . 1 1 28 28 GLY C C 28 177.627 177.627 174.740 2.887 19849 7120 1 15 . 1 1 28 28 GLY CA C 28 45.628 45.628 46.233 -0.605 19849 7121 1 15 . 1 1 28 28 GLY H H 28 7.864 7.864 7.993 -0.129 19849 7122 1 15 . 1 1 29 29 CYS N N 29 116.829 116.829 118.251 -1.422 19849 7123 1 15 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.448 -0.085 19849 7124 1 15 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.766 -0.326 19849 7125 1 15 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.072 -0.214 19849 7126 1 15 . 1 1 29 29 CYS H H 29 7.380 7.380 7.701 -0.321 19849 7127 1 15 . 1 1 30 30 GLY N N 30 111.626 111.626 107.997 3.629 19849 7128 1 15 . 1 1 30 30 GLY C C 30 173.383 173.383 173.788 -0.405 19849 7129 1 15 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.380 1.706 19849 7130 1 15 . 1 1 30 30 GLY H H 30 8.965 8.965 8.426 0.539 19849 7131 1 15 . 1 1 31 31 SER N N 31 111.735 111.735 116.807 -5.072 19849 7132 1 15 . 1 1 31 31 SER HA H 31 4.639 4.639 4.571 0.068 19849 7133 1 15 . 1 1 31 31 SER C C 31 174.246 174.246 173.490 0.756 19849 7134 1 15 . 1 1 31 31 SER CA C 31 58.203 58.203 57.751 0.452 19849 7135 1 15 . 1 1 31 31 SER CB C 31 64.459 64.459 64.495 -0.036 19849 7136 1 15 . 1 1 31 31 SER H H 31 8.220 8.220 7.809 0.411 19849 7137 1 15 . 1 1 32 32 SER N N 32 116.259 116.259 118.525 -2.266 19849 7138 1 15 . 1 1 32 32 SER HA H 32 5.346 5.346 4.916 0.430 19849 7139 1 15 . 1 1 32 32 SER C C 32 176.363 176.363 172.472 3.891 19849 7140 1 15 . 1 1 32 32 SER CA C 32 57.400 57.400 57.808 -0.408 19849 7141 1 15 . 1 1 32 32 SER CB C 32 62.866 62.866 65.900 -3.034 19849 7142 1 15 . 1 1 32 32 SER H H 32 7.253 7.253 7.956 -0.703 19849 7143 1 15 . 1 1 33 33 PHE N N 33 118.533 118.533 121.537 -3.004 19849 7144 1 15 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.890 0.766 19849 7145 1 15 . 1 1 33 33 PHE C C 33 174.163 174.163 174.574 -0.411 19849 7146 1 15 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.949 -0.567 19849 7147 1 15 . 1 1 33 33 PHE CB C 33 44.450 44.450 43.589 0.861 19849 7148 1 15 . 1 1 33 33 PHE H H 33 7.995 7.995 9.010 -1.015 19849 7149 1 15 . 1 1 34 34 GLU N N 34 122.301 122.301 122.948 -0.647 19849 7150 1 15 . 1 1 34 34 GLU HA H 34 5.560 5.560 5.076 0.484 19849 7151 1 15 . 1 1 34 34 GLU C C 34 175.902 175.902 174.944 0.958 19849 7152 1 15 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.019 -0.643 19849 7153 1 15 . 1 1 34 34 GLU CB C 34 33.543 33.543 31.464 2.079 19849 7154 1 15 . 1 1 34 34 GLU H H 34 9.436 9.436 8.633 0.803 19849 7155 1 15 . 1 1 35 35 VAL N N 35 118.350 118.350 124.944 -6.594 19849 7156 1 15 . 1 1 35 35 VAL HA H 35 5.369 5.369 5.044 0.325 19849 7157 1 15 . 1 1 35 35 VAL C C 35 174.616 174.616 173.679 0.937 19849 7158 1 15 . 1 1 35 35 VAL CA C 35 59.364 59.364 58.938 0.426 19849 7159 1 15 . 1 1 35 35 VAL CB C 35 36.178 36.178 35.279 0.899 19849 7160 1 15 . 1 1 35 35 VAL H H 35 8.784 8.784 9.051 -0.267 19849 7161 1 15 . 1 1 36 36 GLU N N 36 123.537 123.537 128.243 -4.706 19849 7162 1 15 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.922 0.047 19849 7163 1 15 . 1 1 36 36 GLU C C 36 174.745 174.745 175.111 -0.366 19849 7164 1 15 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.832 0.359 19849 7165 1 15 . 1 1 36 36 GLU CB C 36 33.086 33.086 32.067 1.019 19849 7166 1 15 . 1 1 36 36 GLU H H 36 8.859 8.859 8.735 0.124 19849 7167 1 15 . 1 1 37 37 VAL N N 37 120.272 120.272 127.272 -7.000 19849 7168 1 15 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.190 -0.578 19849 7169 1 15 . 1 1 37 37 VAL C C 37 172.679 172.679 174.607 -1.928 19849 7170 1 15 . 1 1 37 37 VAL CA C 37 60.290 60.290 59.970 0.320 19849 7171 1 15 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.508 0.513 19849 7172 1 15 . 1 1 37 37 VAL H H 37 8.497 8.497 9.297 -0.800 19849 7173 1 15 . 1 1 38 38 VAL N N 38 127.971 127.971 127.384 0.587 19849 7174 1 15 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.367 -0.110 19849 7175 1 15 . 1 1 38 38 VAL C C 38 175.842 175.842 175.065 0.777 19849 7176 1 15 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.403 -0.929 19849 7177 1 15 . 1 1 38 38 VAL CB C 38 33.115 33.115 31.963 1.152 19849 7178 1 15 . 1 1 38 38 VAL H H 38 8.169 8.169 8.687 -0.518 19849 7179 1 15 . 1 1 39 39 SER N N 39 117.426 117.426 120.535 -3.109 19849 7180 1 15 . 1 1 39 39 SER HA H 39 4.821 4.821 4.856 -0.035 19849 7181 1 15 . 1 1 39 39 SER C C 39 175.323 175.323 174.714 0.609 19849 7182 1 15 . 1 1 39 39 SER CA C 39 55.888 55.888 56.435 -0.547 19849 7183 1 15 . 1 1 39 39 SER CB C 39 64.183 64.183 66.664 -2.481 19849 7184 1 15 . 1 1 39 39 SER H H 39 8.304 8.304 7.913 0.391 19849 7185 1 15 . 1 1 40 40 GLU N N 40 131.571 131.571 121.239 10.332 19849 7186 1 15 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.061 0.058 19849 7187 1 15 . 1 1 40 40 GLU C C 40 177.887 177.887 177.194 0.693 19849 7188 1 15 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.586 0.095 19849 7189 1 15 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.024 0.606 19849 7190 1 15 . 1 1 40 40 GLU H H 40 9.911 9.911 9.052 0.860 19849 7191 1 15 . 1 1 41 41 GLN N N 41 117.534 117.534 117.586 -0.052 19849 7192 1 15 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.177 -0.193 19849 7193 1 15 . 1 1 41 41 GLN C C 41 176.391 176.391 175.433 0.958 19849 7194 1 15 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.057 0.386 19849 7195 1 15 . 1 1 41 41 GLN CB C 41 27.903 27.903 28.035 -0.132 19849 7196 1 15 . 1 1 41 41 GLN H H 41 8.219 8.219 7.965 0.254 19849 7197 1 15 . 1 1 42 42 PHE N N 42 113.224 113.224 115.578 -2.354 19849 7198 1 15 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.724 -0.198 19849 7199 1 15 . 1 1 42 42 PHE C C 42 175.064 175.064 174.616 0.448 19849 7200 1 15 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.324 -0.185 19849 7201 1 15 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.872 -1.236 19849 7202 1 15 . 1 1 42 42 PHE H H 42 6.894 6.894 7.571 -0.677 19849 7203 1 15 . 1 1 43 43 GLU N N 43 121.136 121.136 122.466 -1.330 19849 7204 1 15 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.449 -0.482 19849 7205 1 15 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.090 2.271 19849 7206 1 15 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.454 0.779 19849 7207 1 15 . 1 1 43 43 GLU H H 43 7.469 7.469 7.399 0.070 19849 7208 1 15 . 1 1 44 44 GLY N N 44 114.819 114.819 117.584 -2.765 19849 7209 1 15 . 1 1 44 44 GLY C C 44 174.101 174.101 174.359 -0.258 19849 7210 1 15 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.092 -0.467 19849 7211 1 15 . 1 1 44 44 GLY H H 44 9.014 9.014 9.134 -0.120 19849 7212 1 15 . 1 1 45 45 LYS N N 45 118.678 118.678 120.087 -1.409 19849 7213 1 15 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.523 0.166 19849 7214 1 15 . 1 1 45 45 LYS C C 45 177.858 177.858 176.715 1.143 19849 7215 1 15 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.355 -0.794 19849 7216 1 15 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.346 0.095 19849 7217 1 15 . 1 1 45 45 LYS H H 45 7.932 7.932 7.373 0.559 19849 7218 1 15 . 1 1 46 46 ARG N N 46 125.430 125.430 123.035 2.395 19849 7219 1 15 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.458 -0.165 19849 7220 1 15 . 1 1 46 46 ARG CA C 46 55.779 55.779 53.964 1.815 19849 7221 1 15 . 1 1 46 46 ARG H H 46 9.288 9.288 8.874 0.414 19849 7222 1 15 . 1 1 47 47 LEU N N 47 124.205 124.205 125.695 -1.490 19849 7223 1 15 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.748 -0.046 19849 7224 1 15 . 1 1 47 47 LEU C C 47 178.476 178.476 178.981 -0.505 19849 7225 1 15 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.853 1.836 19849 7226 1 15 . 1 1 47 47 LEU H H 47 8.320 8.320 8.911 -0.591 19849 7227 1 15 . 1 1 48 48 LEU N N 48 115.874 115.874 119.331 -3.457 19849 7228 1 15 . 1 1 48 48 LEU HA H 48 3.772 3.772 3.999 -0.227 19849 7229 1 15 . 1 1 48 48 LEU C C 48 179.985 179.985 178.569 1.416 19849 7230 1 15 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.303 0.320 19849 7231 1 15 . 1 1 48 48 LEU H H 48 8.587 8.587 8.173 0.414 19849 7232 1 15 . 1 1 49 49 GLU N N 49 118.216 118.216 118.088 0.128 19849 7233 1 15 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.944 0.164 19849 7234 1 15 . 1 1 49 49 GLU C C 49 177.944 177.944 178.990 -1.046 19849 7235 1 15 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.091 -0.673 19849 7236 1 15 . 1 1 49 49 GLU H H 49 6.964 6.964 8.092 -1.128 19849 7237 1 15 . 1 1 50 50 ARG N N 50 119.674 119.674 121.021 -1.347 19849 7238 1 15 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.123 -0.206 19849 7239 1 15 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.599 -0.525 19849 7240 1 15 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.004 -0.993 19849 7241 1 15 . 1 1 50 50 ARG H H 50 7.991 7.991 8.362 -0.371 19849 7242 1 15 . 1 1 51 51 HIS N N 51 117.056 117.056 117.293 -0.237 19849 7243 1 15 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.443 -0.447 19849 7244 1 15 . 1 1 51 51 HIS C C 51 176.638 176.638 177.793 -1.155 19849 7245 1 15 . 1 1 51 51 HIS H H 51 8.294 8.294 8.200 0.094 19849 7246 1 15 . 1 1 52 52 ARG N N 52 120.626 120.626 120.225 0.401 19849 7247 1 15 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.127 0.091 19849 7248 1 15 . 1 1 52 52 ARG C C 52 179.014 179.014 177.642 1.372 19849 7249 1 15 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.779 1.213 19849 7250 1 15 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.300 -0.741 19849 7251 1 15 . 1 1 52 52 ARG H H 52 8.001 8.001 8.126 -0.125 19849 7252 1 15 . 1 1 53 53 MET N N 53 119.087 119.087 117.621 1.466 19849 7253 1 15 . 1 1 53 53 MET HA H 53 4.006 4.006 4.465 -0.459 19849 7254 1 15 . 1 1 53 53 MET C C 53 179.286 179.286 177.636 1.650 19849 7255 1 15 . 1 1 53 53 MET CA C 53 59.404 59.404 57.358 2.046 19849 7256 1 15 . 1 1 53 53 MET CB C 53 34.976 34.976 32.999 1.977 19849 7257 1 15 . 1 1 53 53 MET H H 53 8.162 8.162 7.824 0.338 19849 7258 1 15 . 1 1 54 54 VAL N N 54 120.886 120.886 119.792 1.094 19849 7259 1 15 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.671 -0.246 19849 7260 1 15 . 1 1 54 54 VAL C C 54 176.296 176.296 177.560 -1.264 19849 7261 1 15 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.150 0.683 19849 7262 1 15 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.267 -0.823 19849 7263 1 15 . 1 1 54 54 VAL H H 54 7.790 7.790 7.790 -0.000 19849 7264 1 15 . 1 1 55 55 ASN N N 55 116.881 116.881 118.436 -1.555 19849 7265 1 15 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.593 -0.580 19849 7266 1 15 . 1 1 55 55 ASN C C 55 178.422 178.422 176.724 1.698 19849 7267 1 15 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.208 1.921 19849 7268 1 15 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.522 0.345 19849 7269 1 15 . 1 1 55 55 ASN H H 55 8.032 8.032 8.246 -0.214 19849 7270 1 15 . 1 1 56 56 ALA N N 56 121.164 121.164 121.946 -0.782 19849 7271 1 15 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.137 -0.054 19849 7272 1 15 . 1 1 56 56 ALA C C 56 180.700 180.700 178.458 2.242 19849 7273 1 15 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.504 0.096 19849 7274 1 15 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.377 -0.115 19849 7275 1 15 . 1 1 56 56 ALA H H 56 8.578 8.578 7.724 0.854 19849 7276 1 15 . 1 1 57 57 ALA N N 57 121.156 121.156 118.393 2.763 19849 7277 1 15 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.271 -0.239 19849 7278 1 15 . 1 1 57 57 ALA C C 57 177.240 177.240 177.607 -0.367 19849 7279 1 15 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.516 0.571 19849 7280 1 15 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.328 -0.867 19849 7281 1 15 . 1 1 57 57 ALA H H 57 7.609 7.609 7.449 0.160 19849 7282 1 15 . 1 1 58 58 LEU N N 58 116.065 116.065 116.536 -0.471 19849 7283 1 15 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.464 0.431 19849 7284 1 15 . 1 1 58 58 LEU C C 58 176.446 176.446 177.453 -1.007 19849 7285 1 15 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.952 -2.431 19849 7286 1 15 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.498 0.255 19849 7287 1 15 . 1 1 58 58 LEU H H 58 6.995 6.995 7.523 -0.528 19849 7288 1 15 . 1 1 59 59 GLU N N 59 120.288 120.288 121.804 -1.516 19849 7289 1 15 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.974 -0.200 19849 7290 1 15 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.217 0.520 19849 7291 1 15 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.465 0.542 19849 7292 1 15 . 1 1 59 59 GLU H H 59 7.034 7.034 8.069 -1.035 19849 7293 1 15 . 1 1 60 60 GLU N N 60 116.322 116.322 117.522 -1.200 19849 7294 1 15 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.053 -0.023 19849 7295 1 15 . 1 1 60 60 GLU C C 60 179.270 179.270 178.737 0.533 19849 7296 1 15 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.306 -0.613 19849 7297 1 15 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.681 0.635 19849 7298 1 15 . 1 1 60 60 GLU H H 60 8.622 8.622 8.651 -0.029 19849 7299 1 15 . 1 1 61 61 GLU N N 61 121.506 121.506 119.653 1.853 19849 7300 1 15 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.099 -0.209 19849 7301 1 15 . 1 1 61 61 GLU C C 61 179.010 179.010 178.210 0.800 19849 7302 1 15 . 1 1 61 61 GLU CA C 61 60.962 60.962 58.939 2.023 19849 7303 1 15 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.111 -0.636 19849 7304 1 15 . 1 1 61 61 GLU H H 61 8.946 8.946 8.104 0.842 19849 7305 1 15 . 1 1 62 62 MET N N 62 116.213 116.213 117.373 -1.160 19849 7306 1 15 . 1 1 62 62 MET HA H 62 4.312 4.312 4.274 0.038 19849 7307 1 15 . 1 1 62 62 MET CA C 62 56.302 56.302 57.956 -1.654 19849 7308 1 15 . 1 1 62 62 MET CB C 62 30.553 30.553 32.871 -2.318 19849 7309 1 15 . 1 1 62 62 MET H H 62 8.693 8.693 8.044 0.649 19849 7310 1 15 . 1 1 63 63 LYS N N 63 116.969 116.969 116.051 0.918 19849 7311 1 15 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.218 -0.133 19849 7312 1 15 . 1 1 63 63 LYS C C 63 177.541 177.541 177.485 0.056 19849 7313 1 15 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.526 1.202 19849 7314 1 15 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.482 0.043 19849 7315 1 15 . 1 1 63 63 LYS H H 63 7.470 7.470 7.509 -0.039 19849 7316 1 15 . 1 1 64 64 GLU N N 64 115.556 115.556 119.125 -3.569 19849 7317 1 15 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.297 0.168 19849 7318 1 15 . 1 1 64 64 GLU C C 64 175.679 175.679 176.793 -1.114 19849 7319 1 15 . 1 1 64 64 GLU CA C 64 55.603 55.603 57.111 -1.508 19849 7320 1 15 . 1 1 64 64 GLU CB C 64 32.270 32.270 30.780 1.490 19849 7321 1 15 . 1 1 64 64 GLU H H 64 7.773 7.773 7.662 0.111 19849 7322 1 15 . 1 1 65 65 ILE N N 65 120.461 120.461 114.425 6.036 19849 7323 1 15 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.526 -0.447 19849 7324 1 15 . 1 1 65 65 ILE CA C 65 61.708 61.708 58.852 2.856 19849 7325 1 15 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.950 0.132 19849 7326 1 15 . 1 1 65 65 ILE H H 65 7.502 7.502 7.348 0.154 19849 7327 1 15 . 1 1 66 66 HIS N N 66 125.683 125.683 119.429 6.254 19849 7328 1 15 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.535 0.010 19849 7329 1 15 . 1 1 66 66 HIS CA C 66 57.683 57.683 56.602 1.081 19849 7330 1 15 . 1 1 66 66 HIS CB C 66 30.277 30.277 30.729 -0.452 19849 7331 1 15 . 1 1 66 66 HIS H H 66 9.196 9.196 8.637 0.559 19849 7332 1 15 . 1 1 67 67 ALA N N 67 120.229 120.229 120.347 -0.118 19849 7333 1 15 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.359 0.065 19849 7334 1 15 . 1 1 67 67 ALA C C 67 173.834 173.834 175.307 -1.473 19849 7335 1 15 . 1 1 67 67 ALA CA C 67 52.149 52.149 51.756 0.393 19849 7336 1 15 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.536 0.905 19849 7337 1 15 . 1 1 67 67 ALA H H 67 7.493 7.493 7.742 -0.249 19849 7338 1 15 . 1 1 68 68 LEU N N 68 124.546 124.546 124.644 -0.098 19849 7339 1 15 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.152 -0.158 19849 7340 1 15 . 1 1 68 68 LEU C C 68 175.157 175.157 176.182 -1.025 19849 7341 1 15 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.023 -0.832 19849 7342 1 15 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.613 0.155 19849 7343 1 15 . 1 1 68 68 LEU H H 68 8.557 8.557 8.670 -0.113 19849 7344 1 15 . 1 1 69 69 SER N N 69 122.077 122.077 121.374 0.703 19849 7345 1 15 . 1 1 69 69 SER HA H 69 4.677 4.677 4.647 0.030 19849 7346 1 15 . 1 1 69 69 SER C C 69 173.548 173.548 173.667 -0.119 19849 7347 1 15 . 1 1 69 69 SER CA C 69 55.803 55.803 58.011 -2.208 19849 7348 1 15 . 1 1 69 69 SER CB C 69 63.549 63.549 63.560 -0.011 19849 7349 1 15 . 1 1 69 69 SER H H 69 8.854 8.854 9.253 -0.399 19849 7350 1 15 . 1 1 70 70 ILE N N 70 129.143 129.143 129.012 0.131 19849 7351 1 15 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.527 -0.421 19849 7352 1 15 . 1 1 70 70 ILE C C 70 175.059 175.059 175.503 -0.444 19849 7353 1 15 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.465 0.168 19849 7354 1 15 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.744 -1.317 19849 7355 1 15 . 1 1 70 70 ILE H H 70 8.922 8.922 8.471 0.451 19849 7356 1 15 . 1 1 71 71 LYS N N 71 130.019 130.019 126.975 3.044 19849 7357 1 15 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.085 -0.013 19849 7358 1 15 . 1 1 71 71 LYS C C 71 177.201 177.201 177.162 0.039 19849 7359 1 15 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.367 -0.429 19849 7360 1 15 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.669 0.757 19849 7361 1 15 . 1 1 71 71 LYS H H 71 8.676 8.676 8.263 0.413 19849 7362 1 15 . 1 1 72 72 LYS N N 72 113.659 113.659 119.511 -5.852 19849 7363 1 15 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.537 -0.062 19849 7364 1 15 . 1 1 72 72 LYS C C 72 174.013 174.013 174.022 -0.009 19849 7365 1 15 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.648 0.316 19849 7366 1 15 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.062 2.632 19849 7367 1 15 . 1 1 72 72 LYS H H 72 7.195 7.195 7.503 -0.308 19849 7368 1 15 . 1 1 73 73 ALA N N 73 129.019 129.019 129.241 -0.222 19849 7369 1 15 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.780 0.422 19849 7370 1 15 . 1 1 73 73 ALA C C 73 175.410 175.410 175.515 -0.105 19849 7371 1 15 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.197 0.752 19849 7372 1 15 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.513 -1.825 19849 7373 1 15 . 1 1 73 73 ALA H H 73 8.847 8.847 8.675 0.172 19849 7374 1 15 . 1 1 74 74 GLN N N 74 120.993 120.993 123.608 -2.615 19849 7375 1 15 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.813 0.033 19849 7376 1 15 . 1 1 74 74 GLN C C 74 175.603 175.603 174.476 1.127 19849 7377 1 15 . 1 1 74 74 GLN CA C 74 54.773 54.773 53.754 1.019 19849 7378 1 15 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.289 0.666 19849 7379 1 15 . 1 1 74 74 GLN H H 74 8.398 8.398 8.625 -0.227 19849 7380 1 15 . 1 1 75 75 THR N N 75 111.917 111.917 114.574 -2.657 19849 7381 1 15 . 1 1 75 75 THR HA H 75 4.866 4.866 4.908 -0.042 19849 7382 1 15 . 1 1 75 75 THR CA C 75 59.600 59.600 58.864 0.736 19849 7383 1 15 . 1 1 75 75 THR H H 75 8.920 8.920 8.514 0.406 19849 7384 1 15 . 1 1 76 76 PRO C C 76 177.659 177.659 177.274 0.385 19849 7385 1 15 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.299 1.144 19849 7386 1 15 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.644 0.232 19849 7387 1 15 . 1 1 77 77 GLN N N 77 114.329 114.329 115.305 -0.976 19849 7388 1 15 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.297 -0.231 19849 7389 1 15 . 1 1 77 77 GLN C C 77 177.630 177.630 177.645 -0.015 19849 7390 1 15 . 1 1 77 77 GLN CA C 77 58.652 58.652 57.703 0.949 19849 7391 1 15 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.825 0.413 19849 7392 1 15 . 1 1 77 77 GLN H H 77 8.481 8.481 8.530 -0.049 19849 7393 1 15 . 1 1 78 78 GLN N N 78 116.831 116.831 117.708 -0.877 19849 7394 1 15 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.351 -0.258 19849 7395 1 15 . 1 1 78 78 GLN C C 78 176.403 176.403 177.261 -0.858 19849 7396 1 15 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.535 -0.242 19849 7397 1 15 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.526 1.448 19849 7398 1 15 . 1 1 78 78 GLN H H 78 7.503 7.503 7.995 -0.492 19849 7399 1 15 . 1 1 79 79 TRP N N 79 120.561 120.561 120.968 -0.407 19849 7400 1 15 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.487 -0.100 19849 7401 1 15 . 1 1 79 79 TRP C C 79 175.429 175.429 176.810 -1.381 19849 7402 1 15 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.353 -0.792 19849 7403 1 15 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.683 1.231 19849 7404 1 15 . 1 1 79 79 TRP H H 79 7.668 7.668 8.536 -0.868 19849 7405 1 15 . 1 1 80 80 LYS N N 80 120.883 120.883 118.405 2.478 19849 7406 1 15 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.235 -0.035 19849 7407 1 15 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.993 -4.955 19849 7408 1 15 . 1 1 80 80 LYS H H 80 7.768 7.768 8.111 -0.343 19849 7409 1 15 . 1 1 82 82 PRO C C 82 176.919 176.919 176.007 0.912 19849 7410 1 15 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.988 -0.048 19849 7411 1 15 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.315 -0.289 19849 7412 1 15 . 1 1 83 83 SER N N 83 115.592 115.592 117.681 -2.089 19849 7413 1 15 . 1 1 83 83 SER HA H 83 4.315 4.315 4.525 -0.210 19849 7414 1 15 . 1 1 83 83 SER C C 83 174.665 174.665 175.168 -0.503 19849 7415 1 15 . 1 1 83 83 SER CA C 83 58.162 58.162 57.792 0.370 19849 7416 1 15 . 1 1 83 83 SER CB C 83 63.831 63.831 63.516 0.315 19849 7417 1 15 . 1 1 83 83 SER H H 83 8.264 8.264 8.231 0.033 19849 7418 1 15 . 1 1 84 84 GLN N N 84 122.131 122.131 120.134 1.997 19849 7419 1 15 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.460 -0.171 19849 7420 1 15 . 1 1 84 84 GLN C C 84 175.598 175.598 176.616 -1.018 19849 7421 1 15 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.292 -1.441 19849 7422 1 15 . 1 1 84 84 GLN CB C 84 29.619 29.619 28.910 0.709 19849 7423 1 15 . 1 1 84 84 GLN H H 84 8.430 8.430 8.096 0.334 19849 7424 1 15 . 1 1 85 85 ASP N N 85 121.550 121.550 119.125 2.425 19849 7425 1 15 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.461 0.073 19849 7426 1 15 . 1 1 85 85 ASP C C 85 176.431 176.431 177.595 -1.164 19849 7427 1 15 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.841 -1.417 19849 7428 1 15 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.612 0.658 19849 7429 1 15 . 1 1 85 85 ASP H H 85 8.307 8.307 8.438 -0.131 19849 7430 1 15 . 1 1 86 86 SER N N 86 116.617 116.617 115.207 1.410 19849 7431 1 15 . 1 1 86 86 SER HA H 86 4.316 4.316 4.241 0.075 19849 7432 1 15 . 1 1 86 86 SER C C 86 174.590 174.590 175.037 -0.447 19849 7433 1 15 . 1 1 86 86 SER CA C 86 58.797 58.797 61.478 -2.681 19849 7434 1 15 . 1 1 86 86 SER CB C 86 63.667 63.667 63.378 0.289 19849 7435 1 15 . 1 1 86 86 SER H H 86 8.231 8.231 8.413 -0.182 19849 7436 1 15 . 1 1 87 87 ALA N N 87 125.663 125.663 118.756 6.907 19849 7437 1 15 . 1 1 87 87 ALA HA H 87 4.290 4.290 5.043 -0.753 19849 7438 1 15 . 1 1 87 87 ALA C C 87 178.018 178.018 177.641 0.377 19849 7439 1 15 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.105 0.847 19849 7440 1 15 . 1 1 87 87 ALA CB C 87 19.117 19.117 20.443 -1.326 19849 7441 1 15 . 1 1 87 87 ALA H H 87 8.312 8.312 8.044 0.268 19849 7442 1 15 . 1 1 88 88 THR N N 88 112.987 112.987 115.526 -2.539 19849 7443 1 15 . 1 1 88 88 THR HA H 88 4.221 4.221 4.386 -0.165 19849 7444 1 15 . 1 1 88 88 THR C C 88 174.488 174.488 174.652 -0.164 19849 7445 1 15 . 1 1 88 88 THR CA C 88 62.115 62.115 65.053 -2.938 19849 7446 1 15 . 1 1 88 88 THR CB C 88 69.626 69.626 69.307 0.319 19849 7447 1 15 . 1 1 88 88 THR H H 88 7.997 7.997 8.031 -0.034 19849 7448 1 15 . 1 1 89 89 LEU N N 89 124.655 124.655 115.024 9.631 19849 7449 1 15 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.796 -0.440 19849 7450 1 15 . 1 1 89 89 LEU C C 89 177.367 177.367 176.528 0.839 19849 7451 1 15 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.227 -0.964 19849 7452 1 15 . 1 1 89 89 LEU CB C 89 42.492 42.492 41.762 0.730 19849 7453 1 15 . 1 1 89 89 LEU H H 89 8.119 8.119 7.408 0.711 19849 7454 1 15 . 1 1 90 90 THR N N 90 115.527 115.527 108.771 6.756 19849 7455 1 15 . 1 1 90 90 THR HA H 90 4.261 4.261 4.424 -0.163 19849 7456 1 15 . 1 1 90 90 THR CA C 90 61.707 61.707 62.227 -0.520 19849 7457 1 15 . 1 1 90 90 THR CB C 90 69.825 69.825 69.477 0.348 19849 7458 1 15 . 1 1 90 90 THR H H 90 8.086 8.086 8.247 -0.161 19849 7459 1 15 . 1 1 91 91 LYS N N 91 123.923 123.923 119.770 4.153 19849 7460 1 15 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.395 -0.102 19849 7461 1 15 . 1 1 91 91 LYS C C 91 175.949 175.949 175.181 0.768 19849 7462 1 15 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.428 -0.264 19849 7463 1 15 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.316 -0.057 19849 7464 1 15 . 1 1 91 91 LYS H H 91 8.272 8.272 7.664 0.608 19849 7465 1 15 . 1 1 92 92 ASP N N 92 122.237 122.237 119.871 2.366 19849 7466 1 15 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.253 0.257 19849 7467 1 15 . 1 1 92 92 ASP C C 92 174.733 174.733 174.439 0.294 19849 7468 1 15 . 1 1 92 92 ASP CA C 92 54.535 54.535 57.045 -2.510 19849 7469 1 15 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.398 0.713 19849 7470 1 15 . 1 1 92 92 ASP H H 92 8.340 8.340 8.699 -0.359 19849 7471 1 16 . 1 1 2 2 VAL N N 2 120.462 120.462 121.597 -1.135 19849 7472 1 16 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.516 -0.008 19849 7473 1 16 . 1 1 2 2 VAL C C 2 174.797 174.797 174.608 0.189 19849 7474 1 16 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.072 0.213 19849 7475 1 16 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.247 -1.426 19849 7476 1 16 . 1 1 2 2 VAL H H 2 8.729 8.729 8.452 0.277 19849 7477 1 16 . 1 1 3 3 THR N N 3 113.531 113.531 116.855 -3.324 19849 7478 1 16 . 1 1 3 3 THR HA H 3 4.794 4.794 4.744 0.050 19849 7479 1 16 . 1 1 3 3 THR C C 3 175.419 175.419 174.962 0.457 19849 7480 1 16 . 1 1 3 3 THR CA C 3 59.466 59.466 60.506 -1.040 19849 7481 1 16 . 1 1 3 3 THR H H 3 7.740 7.740 8.299 -0.559 19849 7482 1 16 . 1 1 4 4 LYS N N 4 121.981 121.981 120.914 1.067 19849 7483 1 16 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.434 0.003 19849 7484 1 16 . 1 1 4 4 LYS C C 4 177.186 177.186 177.807 -0.621 19849 7485 1 16 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.600 1.116 19849 7486 1 16 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.878 1.332 19849 7487 1 16 . 1 1 4 4 LYS H H 4 9.168 9.168 8.770 0.398 19849 7488 1 16 . 1 1 5 5 GLU N N 5 117.723 117.723 118.765 -1.042 19849 7489 1 16 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.093 -0.041 19849 7490 1 16 . 1 1 5 5 GLU C C 5 179.351 179.351 178.745 0.606 19849 7491 1 16 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.316 1.192 19849 7492 1 16 . 1 1 5 5 GLU CB C 5 28.394 28.394 28.891 -0.497 19849 7493 1 16 . 1 1 5 5 GLU H H 5 8.835 8.835 8.676 0.159 19849 7494 1 16 . 1 1 6 6 GLN N N 6 122.133 122.133 118.674 3.459 19849 7495 1 16 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.138 -0.129 19849 7496 1 16 . 1 1 6 6 GLN C C 6 178.109 178.109 178.052 0.057 19849 7497 1 16 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.190 0.688 19849 7498 1 16 . 1 1 6 6 GLN CB C 6 28.873 28.873 27.835 1.038 19849 7499 1 16 . 1 1 6 6 GLN H H 6 7.867 7.867 7.705 0.162 19849 7500 1 16 . 1 1 7 7 VAL N N 7 120.130 120.130 121.928 -1.798 19849 7501 1 16 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.520 -0.383 19849 7502 1 16 . 1 1 7 7 VAL C C 7 177.807 177.807 177.741 0.066 19849 7503 1 16 . 1 1 7 7 VAL CA C 7 66.513 66.513 67.153 -0.640 19849 7504 1 16 . 1 1 7 7 VAL CB C 7 31.241 31.241 31.350 -0.109 19849 7505 1 16 . 1 1 7 7 VAL H H 7 7.447 7.447 7.346 0.101 19849 7506 1 16 . 1 1 8 8 GLU N N 8 117.342 117.342 119.680 -2.338 19849 7507 1 16 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.886 -0.316 19849 7508 1 16 . 1 1 8 8 GLU C C 8 174.166 174.166 178.500 -4.334 19849 7509 1 16 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.750 -0.051 19849 7510 1 16 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.438 0.406 19849 7511 1 16 . 1 1 8 8 GLU H H 8 8.529 8.529 8.294 0.235 19849 7512 1 16 . 1 1 9 9 ALA N N 9 124.344 124.344 120.681 3.663 19849 7513 1 16 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.266 0.154 19849 7514 1 16 . 1 1 9 9 ALA C C 9 177.996 177.996 179.308 -1.312 19849 7515 1 16 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.605 0.918 19849 7516 1 16 . 1 1 9 9 ALA H H 9 8.301 8.301 7.632 0.669 19849 7517 1 16 . 1 1 10 10 SER N N 10 117.198 117.198 115.992 1.206 19849 7518 1 16 . 1 1 10 10 SER HA H 10 4.374 4.374 4.244 0.130 19849 7519 1 16 . 1 1 10 10 SER C C 10 175.219 175.219 176.578 -1.359 19849 7520 1 16 . 1 1 10 10 SER CA C 10 62.207 62.207 61.404 0.803 19849 7521 1 16 . 1 1 10 10 SER H H 10 8.303 8.303 7.699 0.604 19849 7522 1 16 . 1 1 11 11 LEU N N 11 118.287 118.287 121.209 -2.922 19849 7523 1 16 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.071 -0.257 19849 7524 1 16 . 1 1 11 11 LEU C C 11 179.247 179.247 178.923 0.324 19849 7525 1 16 . 1 1 11 11 LEU CA C 11 58.209 58.209 58.022 0.187 19849 7526 1 16 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.558 0.970 19849 7527 1 16 . 1 1 11 11 LEU H H 11 7.973 7.973 8.708 -0.735 19849 7528 1 16 . 1 1 12 12 THR N N 12 116.416 116.416 114.521 1.895 19849 7529 1 16 . 1 1 12 12 THR HA H 12 3.530 3.530 3.890 -0.360 19849 7530 1 16 . 1 1 12 12 THR C C 12 176.464 176.464 175.989 0.475 19849 7531 1 16 . 1 1 12 12 THR CA C 12 67.016 67.016 66.726 0.290 19849 7532 1 16 . 1 1 12 12 THR CB C 12 68.586 68.586 68.298 0.288 19849 7533 1 16 . 1 1 12 12 THR H H 12 8.440 8.440 7.790 0.650 19849 7534 1 16 . 1 1 13 13 SER N N 13 115.144 115.144 115.943 -0.799 19849 7535 1 16 . 1 1 13 13 SER HA H 13 4.105 4.105 4.433 -0.328 19849 7536 1 16 . 1 1 13 13 SER C C 13 176.285 176.285 175.652 0.633 19849 7537 1 16 . 1 1 13 13 SER CA C 13 61.032 61.032 60.915 0.117 19849 7538 1 16 . 1 1 13 13 SER CB C 13 63.045 63.045 63.495 -0.450 19849 7539 1 16 . 1 1 13 13 SER H H 13 8.022 8.022 7.885 0.137 19849 7540 1 16 . 1 1 14 14 LYS N N 14 116.028 116.028 119.655 -3.627 19849 7541 1 16 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.280 0.030 19849 7542 1 16 . 1 1 14 14 LYS C C 14 178.041 178.041 177.265 0.776 19849 7543 1 16 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.191 -0.349 19849 7544 1 16 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.560 0.297 19849 7545 1 16 . 1 1 14 14 LYS H H 14 7.466 7.466 7.680 -0.214 19849 7546 1 16 . 1 1 15 15 LEU N N 15 114.405 114.405 116.351 -1.946 19849 7547 1 16 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.530 -0.111 19849 7548 1 16 . 1 1 15 15 LEU CA C 15 53.924 53.924 54.936 -1.012 19849 7549 1 16 . 1 1 15 15 LEU CB C 15 42.360 42.360 44.240 -1.880 19849 7550 1 16 . 1 1 15 15 LEU H H 15 7.842 7.842 7.861 -0.019 19849 7551 1 16 . 1 1 16 16 LYS N N 16 116.513 116.513 115.883 0.630 19849 7552 1 16 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.249 -0.129 19849 7553 1 16 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.016 0.281 19849 7554 1 16 . 1 1 16 16 LYS H H 16 7.421 7.421 7.365 0.056 19849 7555 1 16 . 1 1 17 17 PRO C C 17 177.159 177.159 175.674 1.485 19849 7556 1 16 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.396 -0.501 19849 7557 1 16 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.594 2.713 19849 7558 1 16 . 1 1 18 18 ILE N N 18 116.671 116.671 120.949 -4.278 19849 7559 1 16 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.134 0.160 19849 7560 1 16 . 1 1 18 18 ILE C C 18 175.085 175.085 176.525 -1.440 19849 7561 1 16 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.007 -0.980 19849 7562 1 16 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.229 0.787 19849 7563 1 16 . 1 1 18 18 ILE H H 18 7.917 7.917 8.161 -0.244 19849 7564 1 16 . 1 1 19 19 HIS N N 19 117.574 117.574 118.380 -0.806 19849 7565 1 16 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.628 -0.186 19849 7566 1 16 . 1 1 19 19 HIS C C 19 171.727 171.727 173.070 -1.343 19849 7567 1 16 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.322 1.052 19849 7568 1 16 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.683 1.876 19849 7569 1 16 . 1 1 19 19 HIS H H 19 6.968 6.968 7.910 -0.942 19849 7570 1 16 . 1 1 20 20 LEU N N 20 128.803 128.803 126.644 2.159 19849 7571 1 16 . 1 1 20 20 LEU HA H 20 4.806 4.806 4.964 -0.158 19849 7572 1 16 . 1 1 20 20 LEU C C 20 173.636 173.636 176.016 -2.380 19849 7573 1 16 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.276 0.147 19849 7574 1 16 . 1 1 20 20 LEU CB C 20 45.564 45.564 43.971 1.593 19849 7575 1 16 . 1 1 20 20 LEU H H 20 7.928 7.928 8.126 -0.198 19849 7576 1 16 . 1 1 21 21 GLU N N 21 125.639 125.639 123.241 2.398 19849 7577 1 16 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.523 -0.013 19849 7578 1 16 . 1 1 21 21 GLU C C 21 174.143 174.143 175.292 -1.149 19849 7579 1 16 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.065 0.645 19849 7580 1 16 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.360 2.233 19849 7581 1 16 . 1 1 21 21 GLU H H 21 8.703 8.703 8.253 0.450 19849 7582 1 16 . 1 1 22 22 VAL N N 22 126.675 126.675 119.632 7.043 19849 7583 1 16 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.936 -0.319 19849 7584 1 16 . 1 1 22 22 VAL C C 22 173.843 173.843 174.987 -1.144 19849 7585 1 16 . 1 1 22 22 VAL CA C 22 61.359 61.359 59.553 1.806 19849 7586 1 16 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.877 -0.206 19849 7587 1 16 . 1 1 22 22 VAL H H 22 8.936 8.936 7.945 0.991 19849 7588 1 16 . 1 1 23 23 ILE N N 23 126.078 126.078 123.687 2.391 19849 7589 1 16 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.422 0.051 19849 7590 1 16 . 1 1 23 23 ILE C C 23 175.007 175.007 174.932 0.075 19849 7591 1 16 . 1 1 23 23 ILE CA C 23 59.446 59.446 58.901 0.545 19849 7592 1 16 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.706 3.531 19849 7593 1 16 . 1 1 23 23 ILE H H 23 9.099 9.099 8.187 0.912 19849 7594 1 16 . 1 1 24 24 ASP N N 24 127.026 127.026 129.265 -2.239 19849 7595 1 16 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.910 -0.300 19849 7596 1 16 . 1 1 24 24 ASP C C 24 176.888 176.888 176.247 0.641 19849 7597 1 16 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.081 -1.217 19849 7598 1 16 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.974 0.058 19849 7599 1 16 . 1 1 24 24 ASP H H 24 9.152 9.152 8.983 0.169 19849 7600 1 16 . 1 1 25 25 ILE N N 25 123.148 123.148 126.852 -3.704 19849 7601 1 16 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.263 0.329 19849 7602 1 16 . 1 1 25 25 ILE C C 25 175.765 175.765 176.655 -0.890 19849 7603 1 16 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.603 -0.491 19849 7604 1 16 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.420 -1.507 19849 7605 1 16 . 1 1 25 25 ILE H H 25 7.915 7.915 8.229 -0.314 19849 7606 1 16 . 1 1 26 26 SER N N 26 119.373 119.373 115.182 4.191 19849 7607 1 16 . 1 1 26 26 SER HA H 26 4.520 4.520 4.743 -0.223 19849 7608 1 16 . 1 1 26 26 SER C C 26 175.488 175.488 174.816 0.672 19849 7609 1 16 . 1 1 26 26 SER CA C 26 58.030 58.030 58.415 -0.385 19849 7610 1 16 . 1 1 26 26 SER CB C 26 64.605 64.605 64.990 -0.385 19849 7611 1 16 . 1 1 26 26 SER H H 26 9.175 9.175 8.509 0.666 19849 7612 1 16 . 1 1 27 27 GLY N N 27 111.902 111.902 109.419 2.483 19849 7613 1 16 . 1 1 27 27 GLY C C 27 175.418 175.418 173.355 2.063 19849 7614 1 16 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.960 0.475 19849 7615 1 16 . 1 1 27 27 GLY H H 27 8.417 8.417 8.020 0.397 19849 7616 1 16 . 1 1 28 28 GLY N N 28 106.936 106.936 107.589 -0.653 19849 7617 1 16 . 1 1 28 28 GLY C C 28 177.627 177.627 175.518 2.109 19849 7618 1 16 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.979 -0.351 19849 7619 1 16 . 1 1 28 28 GLY H H 28 7.864 7.864 8.378 -0.514 19849 7620 1 16 . 1 1 29 29 CYS N N 29 116.829 116.829 119.128 -2.299 19849 7621 1 16 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.577 -0.214 19849 7622 1 16 . 1 1 29 29 CYS CA C 29 59.440 59.440 60.305 -0.865 19849 7623 1 16 . 1 1 29 29 CYS CB C 29 27.858 27.858 26.992 0.866 19849 7624 1 16 . 1 1 29 29 CYS H H 29 7.380 7.380 7.918 -0.538 19849 7625 1 16 . 1 1 30 30 GLY N N 30 111.626 111.626 108.448 3.178 19849 7626 1 16 . 1 1 30 30 GLY C C 30 173.383 173.383 173.800 -0.417 19849 7627 1 16 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.334 1.752 19849 7628 1 16 . 1 1 30 30 GLY H H 30 8.965 8.965 8.421 0.544 19849 7629 1 16 . 1 1 31 31 SER N N 31 111.735 111.735 116.069 -4.334 19849 7630 1 16 . 1 1 31 31 SER HA H 31 4.639 4.639 3.707 0.932 19849 7631 1 16 . 1 1 31 31 SER C C 31 174.246 174.246 172.972 1.274 19849 7632 1 16 . 1 1 31 31 SER CA C 31 58.203 58.203 58.937 -0.734 19849 7633 1 16 . 1 1 31 31 SER CB C 31 64.459 64.459 62.395 2.064 19849 7634 1 16 . 1 1 31 31 SER H H 31 8.220 8.220 7.907 0.313 19849 7635 1 16 . 1 1 32 32 SER N N 32 116.259 116.259 121.283 -5.024 19849 7636 1 16 . 1 1 32 32 SER HA H 32 5.346 5.346 5.151 0.195 19849 7637 1 16 . 1 1 32 32 SER C C 32 176.363 176.363 172.891 3.472 19849 7638 1 16 . 1 1 32 32 SER CA C 32 57.400 57.400 57.304 0.096 19849 7639 1 16 . 1 1 32 32 SER CB C 32 62.866 62.866 64.852 -1.986 19849 7640 1 16 . 1 1 32 32 SER H H 32 7.253 7.253 8.387 -1.134 19849 7641 1 16 . 1 1 33 33 PHE N N 33 118.533 118.533 124.761 -6.228 19849 7642 1 16 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.051 0.605 19849 7643 1 16 . 1 1 33 33 PHE C C 33 174.163 174.163 175.376 -1.213 19849 7644 1 16 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.007 0.375 19849 7645 1 16 . 1 1 33 33 PHE CB C 33 44.450 44.450 40.930 3.520 19849 7646 1 16 . 1 1 33 33 PHE H H 33 7.995 7.995 9.025 -1.030 19849 7647 1 16 . 1 1 34 34 GLU N N 34 122.301 122.301 124.165 -1.864 19849 7648 1 16 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.893 0.667 19849 7649 1 16 . 1 1 34 34 GLU C C 34 175.902 175.902 175.744 0.158 19849 7650 1 16 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.236 -0.860 19849 7651 1 16 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.844 3.699 19849 7652 1 16 . 1 1 34 34 GLU H H 34 9.436 9.436 8.581 0.855 19849 7653 1 16 . 1 1 35 35 VAL N N 35 118.350 118.350 126.182 -7.832 19849 7654 1 16 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.605 0.764 19849 7655 1 16 . 1 1 35 35 VAL C C 35 174.616 174.616 174.118 0.498 19849 7656 1 16 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.662 -0.298 19849 7657 1 16 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.791 1.387 19849 7658 1 16 . 1 1 35 35 VAL H H 35 8.784 8.784 9.132 -0.348 19849 7659 1 16 . 1 1 36 36 GLU N N 36 123.537 123.537 129.107 -5.570 19849 7660 1 16 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.644 0.325 19849 7661 1 16 . 1 1 36 36 GLU C C 36 174.745 174.745 175.191 -0.446 19849 7662 1 16 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.878 0.313 19849 7663 1 16 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.218 1.867 19849 7664 1 16 . 1 1 36 36 GLU H H 36 8.859 8.859 8.385 0.474 19849 7665 1 16 . 1 1 37 37 VAL N N 37 120.272 120.272 128.062 -7.790 19849 7666 1 16 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.126 -0.514 19849 7667 1 16 . 1 1 37 37 VAL C C 37 172.679 172.679 174.831 -2.152 19849 7668 1 16 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.927 -0.637 19849 7669 1 16 . 1 1 37 37 VAL CB C 37 35.021 35.021 33.960 1.061 19849 7670 1 16 . 1 1 37 37 VAL H H 37 8.497 8.497 9.011 -0.514 19849 7671 1 16 . 1 1 38 38 VAL N N 38 127.971 127.971 128.256 -0.285 19849 7672 1 16 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.245 0.012 19849 7673 1 16 . 1 1 38 38 VAL C C 38 175.842 175.842 174.653 1.189 19849 7674 1 16 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.469 -0.995 19849 7675 1 16 . 1 1 38 38 VAL CB C 38 33.115 33.115 30.874 2.241 19849 7676 1 16 . 1 1 38 38 VAL H H 38 8.169 8.169 8.629 -0.460 19849 7677 1 16 . 1 1 39 39 SER N N 39 117.426 117.426 119.009 -1.583 19849 7678 1 16 . 1 1 39 39 SER HA H 39 4.821 4.821 4.645 0.176 19849 7679 1 16 . 1 1 39 39 SER C C 39 175.323 175.323 173.653 1.670 19849 7680 1 16 . 1 1 39 39 SER CA C 39 55.888 55.888 56.067 -0.179 19849 7681 1 16 . 1 1 39 39 SER CB C 39 64.183 64.183 65.284 -1.101 19849 7682 1 16 . 1 1 39 39 SER H H 39 8.304 8.304 8.101 0.203 19849 7683 1 16 . 1 1 40 40 GLU N N 40 131.571 131.571 122.778 8.793 19849 7684 1 16 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.031 0.088 19849 7685 1 16 . 1 1 40 40 GLU C C 40 177.887 177.887 177.216 0.671 19849 7686 1 16 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.552 0.129 19849 7687 1 16 . 1 1 40 40 GLU CB C 40 29.630 29.630 28.888 0.742 19849 7688 1 16 . 1 1 40 40 GLU H H 40 9.911 9.911 9.015 0.896 19849 7689 1 16 . 1 1 41 41 GLN N N 41 117.534 117.534 117.407 0.127 19849 7690 1 16 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.167 -0.183 19849 7691 1 16 . 1 1 41 41 GLN C C 41 176.391 176.391 175.721 0.670 19849 7692 1 16 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.279 1.164 19849 7693 1 16 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.579 0.324 19849 7694 1 16 . 1 1 41 41 GLN H H 41 8.219 8.219 7.922 0.297 19849 7695 1 16 . 1 1 42 42 PHE N N 42 113.224 113.224 116.900 -3.676 19849 7696 1 16 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.716 -0.190 19849 7697 1 16 . 1 1 42 42 PHE C C 42 175.064 175.064 174.959 0.105 19849 7698 1 16 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.182 -0.043 19849 7699 1 16 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.160 -0.524 19849 7700 1 16 . 1 1 42 42 PHE H H 42 6.894 6.894 7.610 -0.716 19849 7701 1 16 . 1 1 43 43 GLU N N 43 121.136 121.136 122.239 -1.103 19849 7702 1 16 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.222 -0.255 19849 7703 1 16 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.248 2.114 19849 7704 1 16 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.458 0.776 19849 7705 1 16 . 1 1 43 43 GLU H H 43 7.469 7.469 7.451 0.018 19849 7706 1 16 . 1 1 44 44 GLY N N 44 114.819 114.819 116.782 -1.963 19849 7707 1 16 . 1 1 44 44 GLY C C 44 174.101 174.101 174.538 -0.437 19849 7708 1 16 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.123 -0.498 19849 7709 1 16 . 1 1 44 44 GLY H H 44 9.014 9.014 8.502 0.512 19849 7710 1 16 . 1 1 45 45 LYS N N 45 118.678 118.678 119.787 -1.109 19849 7711 1 16 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.616 0.073 19849 7712 1 16 . 1 1 45 45 LYS C C 45 177.858 177.858 176.069 1.789 19849 7713 1 16 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.624 -1.063 19849 7714 1 16 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.223 -0.782 19849 7715 1 16 . 1 1 45 45 LYS H H 45 7.932 7.932 7.587 0.345 19849 7716 1 16 . 1 1 46 46 ARG N N 46 125.430 125.430 120.944 4.486 19849 7717 1 16 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.426 -0.133 19849 7718 1 16 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.389 0.390 19849 7719 1 16 . 1 1 46 46 ARG H H 46 9.288 9.288 8.590 0.698 19849 7720 1 16 . 1 1 47 47 LEU N N 47 124.205 124.205 124.177 0.028 19849 7721 1 16 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.583 0.119 19849 7722 1 16 . 1 1 47 47 LEU C C 47 178.476 178.476 179.015 -0.539 19849 7723 1 16 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.209 2.480 19849 7724 1 16 . 1 1 47 47 LEU H H 47 8.320 8.320 8.871 -0.551 19849 7725 1 16 . 1 1 48 48 LEU N N 48 115.874 115.874 119.681 -3.807 19849 7726 1 16 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.158 -0.386 19849 7727 1 16 . 1 1 48 48 LEU C C 48 179.985 179.985 178.331 1.654 19849 7728 1 16 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.075 0.548 19849 7729 1 16 . 1 1 48 48 LEU H H 48 8.587 8.587 8.081 0.506 19849 7730 1 16 . 1 1 49 49 GLU N N 49 118.216 118.216 118.416 -0.200 19849 7731 1 16 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.949 0.159 19849 7732 1 16 . 1 1 49 49 GLU C C 49 177.944 177.944 179.523 -1.579 19849 7733 1 16 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.510 -1.092 19849 7734 1 16 . 1 1 49 49 GLU H H 49 6.964 6.964 7.842 -0.878 19849 7735 1 16 . 1 1 50 50 ARG N N 50 119.674 119.674 119.390 0.284 19849 7736 1 16 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.232 -0.315 19849 7737 1 16 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.571 -0.497 19849 7738 1 16 . 1 1 50 50 ARG CB C 50 29.011 29.011 29.947 -0.936 19849 7739 1 16 . 1 1 50 50 ARG H H 50 7.991 7.991 8.425 -0.434 19849 7740 1 16 . 1 1 51 51 HIS N N 51 117.056 117.056 117.830 -0.774 19849 7741 1 16 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.401 -0.405 19849 7742 1 16 . 1 1 51 51 HIS C C 51 176.638 176.638 177.817 -1.179 19849 7743 1 16 . 1 1 51 51 HIS H H 51 8.294 8.294 8.168 0.126 19849 7744 1 16 . 1 1 52 52 ARG N N 52 120.626 120.626 120.130 0.496 19849 7745 1 16 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.110 0.108 19849 7746 1 16 . 1 1 52 52 ARG C C 52 179.014 179.014 177.677 1.337 19849 7747 1 16 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.905 1.087 19849 7748 1 16 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.314 -0.755 19849 7749 1 16 . 1 1 52 52 ARG H H 52 8.001 8.001 8.484 -0.483 19849 7750 1 16 . 1 1 53 53 MET N N 53 119.087 119.087 117.719 1.368 19849 7751 1 16 . 1 1 53 53 MET HA H 53 4.006 4.006 4.483 -0.477 19849 7752 1 16 . 1 1 53 53 MET C C 53 179.286 179.286 177.779 1.507 19849 7753 1 16 . 1 1 53 53 MET CA C 53 59.404 59.404 57.152 2.252 19849 7754 1 16 . 1 1 53 53 MET CB C 53 34.976 34.976 32.928 2.048 19849 7755 1 16 . 1 1 53 53 MET H H 53 8.162 8.162 7.644 0.518 19849 7756 1 16 . 1 1 54 54 VAL N N 54 120.886 120.886 120.224 0.662 19849 7757 1 16 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.671 -0.246 19849 7758 1 16 . 1 1 54 54 VAL C C 54 176.296 176.296 177.726 -1.430 19849 7759 1 16 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.557 0.276 19849 7760 1 16 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.275 -0.831 19849 7761 1 16 . 1 1 54 54 VAL H H 54 7.790 7.790 8.202 -0.412 19849 7762 1 16 . 1 1 55 55 ASN N N 55 116.881 116.881 117.598 -0.717 19849 7763 1 16 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.516 -0.503 19849 7764 1 16 . 1 1 55 55 ASN C C 55 178.422 178.422 176.629 1.793 19849 7765 1 16 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.218 1.911 19849 7766 1 16 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.445 0.422 19849 7767 1 16 . 1 1 55 55 ASN H H 55 8.032 8.032 8.366 -0.334 19849 7768 1 16 . 1 1 56 56 ALA N N 56 121.164 121.164 122.864 -1.700 19849 7769 1 16 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.150 -0.067 19849 7770 1 16 . 1 1 56 56 ALA C C 56 180.700 180.700 178.720 1.980 19849 7771 1 16 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.562 0.038 19849 7772 1 16 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.069 0.193 19849 7773 1 16 . 1 1 56 56 ALA H H 56 8.578 8.578 7.759 0.819 19849 7774 1 16 . 1 1 57 57 ALA N N 57 121.156 121.156 119.056 2.100 19849 7775 1 16 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.425 -0.393 19849 7776 1 16 . 1 1 57 57 ALA C C 57 177.240 177.240 177.272 -0.032 19849 7777 1 16 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.592 0.495 19849 7778 1 16 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.299 -0.837 19849 7779 1 16 . 1 1 57 57 ALA H H 57 7.609 7.609 7.523 0.086 19849 7780 1 16 . 1 1 58 58 LEU N N 58 116.065 116.065 116.241 -0.176 19849 7781 1 16 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.957 -0.062 19849 7782 1 16 . 1 1 58 58 LEU C C 58 176.446 176.446 177.730 -1.284 19849 7783 1 16 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.830 -2.309 19849 7784 1 16 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.899 -0.146 19849 7785 1 16 . 1 1 58 58 LEU H H 58 6.995 6.995 7.059 -0.064 19849 7786 1 16 . 1 1 59 59 GLU N N 59 120.288 120.288 121.883 -1.595 19849 7787 1 16 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.005 -0.231 19849 7788 1 16 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.058 0.678 19849 7789 1 16 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.661 0.346 19849 7790 1 16 . 1 1 59 59 GLU H H 59 7.034 7.034 8.285 -1.251 19849 7791 1 16 . 1 1 60 60 GLU N N 60 116.322 116.322 118.097 -1.775 19849 7792 1 16 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.139 -0.109 19849 7793 1 16 . 1 1 60 60 GLU C C 60 179.270 179.270 178.239 1.031 19849 7794 1 16 . 1 1 60 60 GLU CA C 60 58.693 58.693 58.980 -0.287 19849 7795 1 16 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.290 1.026 19849 7796 1 16 . 1 1 60 60 GLU H H 60 8.622 8.622 8.662 -0.040 19849 7797 1 16 . 1 1 61 61 GLU N N 61 121.506 121.506 119.925 1.581 19849 7798 1 16 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.141 -0.251 19849 7799 1 16 . 1 1 61 61 GLU C C 61 179.010 179.010 178.287 0.723 19849 7800 1 16 . 1 1 61 61 GLU CA C 61 60.962 60.962 58.683 2.279 19849 7801 1 16 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.290 -0.815 19849 7802 1 16 . 1 1 61 61 GLU H H 61 8.946 8.946 7.807 1.139 19849 7803 1 16 . 1 1 62 62 MET N N 62 116.213 116.213 117.295 -1.082 19849 7804 1 16 . 1 1 62 62 MET HA H 62 4.312 4.312 4.285 0.027 19849 7805 1 16 . 1 1 62 62 MET CA C 62 56.302 56.302 57.356 -1.054 19849 7806 1 16 . 1 1 62 62 MET CB C 62 30.553 30.553 32.788 -2.235 19849 7807 1 16 . 1 1 62 62 MET H H 62 8.693 8.693 8.153 0.540 19849 7808 1 16 . 1 1 63 63 LYS N N 63 116.969 116.969 113.179 3.790 19849 7809 1 16 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.310 -0.225 19849 7810 1 16 . 1 1 63 63 LYS C C 63 177.541 177.541 177.484 0.057 19849 7811 1 16 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.457 1.271 19849 7812 1 16 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.371 0.154 19849 7813 1 16 . 1 1 63 63 LYS H H 63 7.470 7.470 7.467 0.003 19849 7814 1 16 . 1 1 64 64 GLU N N 64 115.556 115.556 119.535 -3.979 19849 7815 1 16 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.298 0.167 19849 7816 1 16 . 1 1 64 64 GLU C C 64 175.679 175.679 176.997 -1.318 19849 7817 1 16 . 1 1 64 64 GLU CA C 64 55.603 55.603 57.503 -1.900 19849 7818 1 16 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.349 0.921 19849 7819 1 16 . 1 1 64 64 GLU H H 64 7.773 7.773 7.832 -0.059 19849 7820 1 16 . 1 1 65 65 ILE N N 65 120.461 120.461 114.538 5.923 19849 7821 1 16 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.427 -0.348 19849 7822 1 16 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.404 2.304 19849 7823 1 16 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.849 0.233 19849 7824 1 16 . 1 1 65 65 ILE H H 65 7.502 7.502 7.481 0.021 19849 7825 1 16 . 1 1 66 66 HIS N N 66 125.683 125.683 119.738 5.945 19849 7826 1 16 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.432 0.113 19849 7827 1 16 . 1 1 66 66 HIS CA C 66 57.683 57.683 57.468 0.215 19849 7828 1 16 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.424 -1.147 19849 7829 1 16 . 1 1 66 66 HIS H H 66 9.196 9.196 8.061 1.135 19849 7830 1 16 . 1 1 67 67 ALA N N 67 120.229 120.229 119.702 0.527 19849 7831 1 16 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.400 0.024 19849 7832 1 16 . 1 1 67 67 ALA C C 67 173.834 173.834 174.591 -0.757 19849 7833 1 16 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.046 0.103 19849 7834 1 16 . 1 1 67 67 ALA CB C 67 21.441 21.441 21.075 0.366 19849 7835 1 16 . 1 1 67 67 ALA H H 67 7.493 7.493 7.715 -0.222 19849 7836 1 16 . 1 1 68 68 LEU N N 68 124.546 124.546 124.330 0.216 19849 7837 1 16 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.343 -0.349 19849 7838 1 16 . 1 1 68 68 LEU C C 68 175.157 175.157 175.888 -0.731 19849 7839 1 16 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.273 -1.082 19849 7840 1 16 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.835 -0.067 19849 7841 1 16 . 1 1 68 68 LEU H H 68 8.557 8.557 8.502 0.055 19849 7842 1 16 . 1 1 69 69 SER N N 69 122.077 122.077 122.978 -0.901 19849 7843 1 16 . 1 1 69 69 SER HA H 69 4.677 4.677 4.686 -0.009 19849 7844 1 16 . 1 1 69 69 SER C C 69 173.548 173.548 173.301 0.247 19849 7845 1 16 . 1 1 69 69 SER CA C 69 55.803 55.803 57.549 -1.746 19849 7846 1 16 . 1 1 69 69 SER CB C 69 63.549 63.549 64.021 -0.472 19849 7847 1 16 . 1 1 69 69 SER H H 69 8.854 8.854 9.142 -0.288 19849 7848 1 16 . 1 1 70 70 ILE N N 70 129.143 129.143 128.600 0.543 19849 7849 1 16 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.483 -0.377 19849 7850 1 16 . 1 1 70 70 ILE C C 70 175.059 175.059 175.646 -0.587 19849 7851 1 16 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.561 0.072 19849 7852 1 16 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.831 -1.404 19849 7853 1 16 . 1 1 70 70 ILE H H 70 8.922 8.922 8.939 -0.017 19849 7854 1 16 . 1 1 71 71 LYS N N 71 130.019 130.019 127.498 2.521 19849 7855 1 16 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.158 -0.086 19849 7856 1 16 . 1 1 71 71 LYS C C 71 177.201 177.201 177.145 0.056 19849 7857 1 16 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.550 0.388 19849 7858 1 16 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.512 0.914 19849 7859 1 16 . 1 1 71 71 LYS H H 71 8.676 8.676 8.439 0.237 19849 7860 1 16 . 1 1 72 72 LYS N N 72 113.659 113.659 119.339 -5.680 19849 7861 1 16 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.507 -0.032 19849 7862 1 16 . 1 1 72 72 LYS C C 72 174.013 174.013 173.957 0.056 19849 7863 1 16 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.867 0.097 19849 7864 1 16 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.614 2.080 19849 7865 1 16 . 1 1 72 72 LYS H H 72 7.195 7.195 7.463 -0.268 19849 7866 1 16 . 1 1 73 73 ALA N N 73 129.019 129.019 129.022 -0.003 19849 7867 1 16 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.697 0.505 19849 7868 1 16 . 1 1 73 73 ALA C C 73 175.410 175.410 175.674 -0.264 19849 7869 1 16 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.229 0.719 19849 7870 1 16 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.167 -1.479 19849 7871 1 16 . 1 1 73 73 ALA H H 73 8.847 8.847 8.700 0.147 19849 7872 1 16 . 1 1 74 74 GLN N N 74 120.993 120.993 123.942 -2.949 19849 7873 1 16 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.786 0.060 19849 7874 1 16 . 1 1 74 74 GLN C C 74 175.603 175.603 174.686 0.917 19849 7875 1 16 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.305 0.468 19849 7876 1 16 . 1 1 74 74 GLN CB C 74 34.955 34.955 33.983 0.972 19849 7877 1 16 . 1 1 74 74 GLN H H 74 8.398 8.398 8.669 -0.271 19849 7878 1 16 . 1 1 75 75 THR N N 75 111.917 111.917 114.228 -2.311 19849 7879 1 16 . 1 1 75 75 THR HA H 75 4.866 4.866 4.875 -0.009 19849 7880 1 16 . 1 1 75 75 THR CA C 75 59.600 59.600 58.332 1.268 19849 7881 1 16 . 1 1 75 75 THR H H 75 8.920 8.920 8.485 0.435 19849 7882 1 16 . 1 1 76 76 PRO C C 76 177.659 177.659 177.536 0.123 19849 7883 1 16 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.426 1.017 19849 7884 1 16 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.535 0.341 19849 7885 1 16 . 1 1 77 77 GLN N N 77 114.329 114.329 116.182 -1.853 19849 7886 1 16 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.166 -0.100 19849 7887 1 16 . 1 1 77 77 GLN C C 77 177.630 177.630 177.246 0.384 19849 7888 1 16 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.700 -0.049 19849 7889 1 16 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.945 0.293 19849 7890 1 16 . 1 1 77 77 GLN H H 77 8.481 8.481 8.510 -0.029 19849 7891 1 16 . 1 1 78 78 GLN N N 78 116.831 116.831 117.499 -0.668 19849 7892 1 16 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.351 -0.258 19849 7893 1 16 . 1 1 78 78 GLN C C 78 176.403 176.403 177.737 -1.334 19849 7894 1 16 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.203 0.090 19849 7895 1 16 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.312 1.661 19849 7896 1 16 . 1 1 78 78 GLN H H 78 7.503 7.503 7.851 -0.348 19849 7897 1 16 . 1 1 79 79 TRP N N 79 120.561 120.561 121.238 -0.677 19849 7898 1 16 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.529 -0.142 19849 7899 1 16 . 1 1 79 79 TRP C C 79 175.429 175.429 176.614 -1.185 19849 7900 1 16 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.046 -0.485 19849 7901 1 16 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.227 1.687 19849 7902 1 16 . 1 1 79 79 TRP H H 79 7.668 7.668 8.452 -0.784 19849 7903 1 16 . 1 1 80 80 LYS N N 80 120.883 120.883 119.197 1.686 19849 7904 1 16 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.142 0.058 19849 7905 1 16 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.826 -5.788 19849 7906 1 16 . 1 1 80 80 LYS H H 80 7.768 7.768 8.131 -0.363 19849 7907 1 16 . 1 1 82 82 PRO C C 82 176.919 176.919 176.079 0.840 19849 7908 1 16 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.982 -0.042 19849 7909 1 16 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.225 -0.199 19849 7910 1 16 . 1 1 83 83 SER N N 83 115.592 115.592 115.586 0.006 19849 7911 1 16 . 1 1 83 83 SER HA H 83 4.315 4.315 4.466 -0.151 19849 7912 1 16 . 1 1 83 83 SER C C 83 174.665 174.665 174.017 0.648 19849 7913 1 16 . 1 1 83 83 SER CA C 83 58.162 58.162 57.491 0.671 19849 7914 1 16 . 1 1 83 83 SER CB C 83 63.831 63.831 62.941 0.890 19849 7915 1 16 . 1 1 83 83 SER H H 83 8.264 8.264 7.785 0.479 19849 7916 1 16 . 1 1 84 84 GLN N N 84 122.131 122.131 119.466 2.665 19849 7917 1 16 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.423 -0.134 19849 7918 1 16 . 1 1 84 84 GLN C C 84 175.598 175.598 175.826 -0.228 19849 7919 1 16 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.576 -0.725 19849 7920 1 16 . 1 1 84 84 GLN CB C 84 29.619 29.619 28.922 0.697 19849 7921 1 16 . 1 1 84 84 GLN H H 84 8.430 8.430 7.738 0.692 19849 7922 1 16 . 1 1 85 85 ASP N N 85 121.550 121.550 119.798 1.752 19849 7923 1 16 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.704 -0.170 19849 7924 1 16 . 1 1 85 85 ASP C C 85 176.431 176.431 178.122 -1.691 19849 7925 1 16 . 1 1 85 85 ASP CA C 85 54.424 54.424 54.885 -0.461 19849 7926 1 16 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.850 0.420 19849 7927 1 16 . 1 1 85 85 ASP H H 85 8.307 8.307 8.109 0.198 19849 7928 1 16 . 1 1 86 86 SER N N 86 116.617 116.617 115.361 1.256 19849 7929 1 16 . 1 1 86 86 SER HA H 86 4.316 4.316 4.326 -0.010 19849 7930 1 16 . 1 1 86 86 SER C C 86 174.590 174.590 175.677 -1.087 19849 7931 1 16 . 1 1 86 86 SER CA C 86 58.797 58.797 59.654 -0.856 19849 7932 1 16 . 1 1 86 86 SER CB C 86 63.667 63.667 63.078 0.589 19849 7933 1 16 . 1 1 86 86 SER H H 86 8.231 8.231 8.152 0.079 19849 7934 1 16 . 1 1 87 87 ALA N N 87 125.663 125.663 120.690 4.973 19849 7935 1 16 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.254 0.036 19849 7936 1 16 . 1 1 87 87 ALA C C 87 178.018 178.018 177.024 0.994 19849 7937 1 16 . 1 1 87 87 ALA CA C 87 52.952 52.952 53.516 -0.564 19849 7938 1 16 . 1 1 87 87 ALA CB C 87 19.117 19.117 17.870 1.246 19849 7939 1 16 . 1 1 87 87 ALA H H 87 8.312 8.312 8.348 -0.036 19849 7940 1 16 . 1 1 88 88 THR N N 88 112.987 112.987 112.257 0.730 19849 7941 1 16 . 1 1 88 88 THR HA H 88 4.221 4.221 4.440 -0.219 19849 7942 1 16 . 1 1 88 88 THR C C 88 174.488 174.488 174.042 0.446 19849 7943 1 16 . 1 1 88 88 THR CA C 88 62.115 62.115 62.625 -0.510 19849 7944 1 16 . 1 1 88 88 THR CB C 88 69.626 69.626 70.203 -0.577 19849 7945 1 16 . 1 1 88 88 THR H H 88 7.997 7.997 7.514 0.483 19849 7946 1 16 . 1 1 89 89 LEU N N 89 124.655 124.655 121.214 3.441 19849 7947 1 16 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.625 -0.269 19849 7948 1 16 . 1 1 89 89 LEU C C 89 177.367 177.367 176.282 1.085 19849 7949 1 16 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.645 -0.382 19849 7950 1 16 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.804 -1.312 19849 7951 1 16 . 1 1 89 89 LEU H H 89 8.119 8.119 8.041 0.078 19849 7952 1 16 . 1 1 90 90 THR N N 90 115.527 115.527 115.943 -0.416 19849 7953 1 16 . 1 1 90 90 THR HA H 90 4.261 4.261 4.306 -0.045 19849 7954 1 16 . 1 1 90 90 THR CA C 90 61.707 61.707 64.366 -2.659 19849 7955 1 16 . 1 1 90 90 THR CB C 90 69.825 69.825 69.687 0.138 19849 7956 1 16 . 1 1 90 90 THR H H 90 8.086 8.086 8.700 -0.614 19849 7957 1 16 . 1 1 91 91 LYS N N 91 123.923 123.923 119.420 4.503 19849 7958 1 16 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.507 -0.214 19849 7959 1 16 . 1 1 91 91 LYS C C 91 175.949 175.949 175.068 0.881 19849 7960 1 16 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.934 -0.770 19849 7961 1 16 . 1 1 91 91 LYS CB C 91 33.259 33.259 31.855 1.404 19849 7962 1 16 . 1 1 91 91 LYS H H 91 8.272 8.272 8.117 0.155 19849 7963 1 16 . 1 1 92 92 ASP N N 92 122.237 122.237 120.724 1.513 19849 7964 1 16 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.712 -0.202 19849 7965 1 16 . 1 1 92 92 ASP C C 92 174.733 174.733 176.119 -1.386 19849 7966 1 16 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.063 0.472 19849 7967 1 16 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.758 0.353 19849 7968 1 16 . 1 1 92 92 ASP H H 92 8.340 8.340 8.117 0.223 19849 7969 1 17 . 1 1 2 2 VAL N N 2 120.462 120.462 125.697 -5.235 19849 7970 1 17 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.569 -0.061 19849 7971 1 17 . 1 1 2 2 VAL C C 2 174.797 174.797 174.873 -0.076 19849 7972 1 17 . 1 1 2 2 VAL CA C 2 61.285 61.285 60.543 0.742 19849 7973 1 17 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.064 -0.243 19849 7974 1 17 . 1 1 2 2 VAL H H 2 8.729 8.729 8.595 0.134 19849 7975 1 17 . 1 1 3 3 THR N N 3 113.531 113.531 117.658 -4.127 19849 7976 1 17 . 1 1 3 3 THR HA H 3 4.794 4.794 4.803 -0.009 19849 7977 1 17 . 1 1 3 3 THR C C 3 175.419 175.419 175.003 0.416 19849 7978 1 17 . 1 1 3 3 THR CA C 3 59.466 59.466 60.252 -0.786 19849 7979 1 17 . 1 1 3 3 THR H H 3 7.740 7.740 8.301 -0.561 19849 7980 1 17 . 1 1 4 4 LYS N N 4 121.981 121.981 121.859 0.122 19849 7981 1 17 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.267 0.170 19849 7982 1 17 . 1 1 4 4 LYS C C 4 177.186 177.186 177.582 -0.396 19849 7983 1 17 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.565 1.151 19849 7984 1 17 . 1 1 4 4 LYS CB C 4 33.210 33.210 31.551 1.659 19849 7985 1 17 . 1 1 4 4 LYS H H 4 9.168 9.168 8.788 0.380 19849 7986 1 17 . 1 1 5 5 GLU N N 5 117.723 117.723 117.934 -0.211 19849 7987 1 17 . 1 1 5 5 GLU HA H 5 4.052 4.052 3.993 0.059 19849 7988 1 17 . 1 1 5 5 GLU C C 5 179.351 179.351 178.589 0.762 19849 7989 1 17 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.450 1.058 19849 7990 1 17 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.252 -0.858 19849 7991 1 17 . 1 1 5 5 GLU H H 5 8.835 8.835 8.644 0.191 19849 7992 1 17 . 1 1 6 6 GLN N N 6 122.133 122.133 118.055 4.078 19849 7993 1 17 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.163 -0.154 19849 7994 1 17 . 1 1 6 6 GLN C C 6 178.109 178.109 177.983 0.126 19849 7995 1 17 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.416 0.462 19849 7996 1 17 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.190 0.683 19849 7997 1 17 . 1 1 6 6 GLN H H 6 7.867 7.867 7.696 0.171 19849 7998 1 17 . 1 1 7 7 VAL N N 7 120.130 120.130 120.899 -0.769 19849 7999 1 17 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.687 -0.550 19849 8000 1 17 . 1 1 7 7 VAL C C 7 177.807 177.807 178.044 -0.237 19849 8001 1 17 . 1 1 7 7 VAL CA C 7 66.513 66.513 65.965 0.548 19849 8002 1 17 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.649 0.592 19849 8003 1 17 . 1 1 7 7 VAL H H 7 7.447 7.447 7.347 0.100 19849 8004 1 17 . 1 1 8 8 GLU N N 8 117.342 117.342 120.091 -2.749 19849 8005 1 17 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.881 -0.311 19849 8006 1 17 . 1 1 8 8 GLU C C 8 174.166 174.166 178.647 -4.481 19849 8007 1 17 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.808 -0.109 19849 8008 1 17 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.865 0.979 19849 8009 1 17 . 1 1 8 8 GLU H H 8 8.529 8.529 8.252 0.277 19849 8010 1 17 . 1 1 9 9 ALA N N 9 124.344 124.344 120.671 3.673 19849 8011 1 17 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.136 0.284 19849 8012 1 17 . 1 1 9 9 ALA C C 9 177.996 177.996 179.474 -1.478 19849 8013 1 17 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.694 0.829 19849 8014 1 17 . 1 1 9 9 ALA H H 9 8.301 8.301 7.575 0.726 19849 8015 1 17 . 1 1 10 10 SER N N 10 117.198 117.198 116.388 0.810 19849 8016 1 17 . 1 1 10 10 SER HA H 10 4.374 4.374 4.218 0.156 19849 8017 1 17 . 1 1 10 10 SER C C 10 175.219 175.219 176.711 -1.492 19849 8018 1 17 . 1 1 10 10 SER CA C 10 62.207 62.207 62.358 -0.152 19849 8019 1 17 . 1 1 10 10 SER H H 10 8.303 8.303 7.926 0.377 19849 8020 1 17 . 1 1 11 11 LEU N N 11 118.287 118.287 121.362 -3.075 19849 8021 1 17 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.102 -0.288 19849 8022 1 17 . 1 1 11 11 LEU C C 11 179.247 179.247 178.877 0.370 19849 8023 1 17 . 1 1 11 11 LEU CA C 11 58.209 58.209 58.120 0.089 19849 8024 1 17 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.578 0.950 19849 8025 1 17 . 1 1 11 11 LEU H H 11 7.973 7.973 8.427 -0.454 19849 8026 1 17 . 1 1 12 12 THR N N 12 116.416 116.416 113.944 2.472 19849 8027 1 17 . 1 1 12 12 THR HA H 12 3.530 3.530 3.993 -0.463 19849 8028 1 17 . 1 1 12 12 THR C C 12 176.464 176.464 175.902 0.562 19849 8029 1 17 . 1 1 12 12 THR CA C 12 67.016 67.016 66.098 0.918 19849 8030 1 17 . 1 1 12 12 THR CB C 12 68.586 68.586 68.236 0.350 19849 8031 1 17 . 1 1 12 12 THR H H 12 8.440 8.440 7.715 0.725 19849 8032 1 17 . 1 1 13 13 SER N N 13 115.144 115.144 116.645 -1.501 19849 8033 1 17 . 1 1 13 13 SER HA H 13 4.105 4.105 4.409 -0.304 19849 8034 1 17 . 1 1 13 13 SER C C 13 176.285 176.285 175.206 1.079 19849 8035 1 17 . 1 1 13 13 SER CA C 13 61.032 61.032 61.191 -0.159 19849 8036 1 17 . 1 1 13 13 SER CB C 13 63.045 63.045 63.586 -0.541 19849 8037 1 17 . 1 1 13 13 SER H H 13 8.022 8.022 7.562 0.460 19849 8038 1 17 . 1 1 14 14 LYS N N 14 116.028 116.028 119.383 -3.355 19849 8039 1 17 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.277 0.033 19849 8040 1 17 . 1 1 14 14 LYS C C 14 178.041 178.041 177.423 0.618 19849 8041 1 17 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.158 -0.316 19849 8042 1 17 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.233 0.625 19849 8043 1 17 . 1 1 14 14 LYS H H 14 7.466 7.466 7.690 -0.224 19849 8044 1 17 . 1 1 15 15 LEU N N 15 114.405 114.405 118.138 -3.733 19849 8045 1 17 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.493 -0.074 19849 8046 1 17 . 1 1 15 15 LEU CA C 15 53.924 53.924 54.851 -0.927 19849 8047 1 17 . 1 1 15 15 LEU CB C 15 42.360 42.360 44.062 -1.702 19849 8048 1 17 . 1 1 15 15 LEU H H 15 7.842 7.842 8.014 -0.172 19849 8049 1 17 . 1 1 16 16 LYS N N 16 116.513 116.513 116.607 -0.094 19849 8050 1 17 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.209 -0.089 19849 8051 1 17 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.237 0.060 19849 8052 1 17 . 1 1 16 16 LYS H H 16 7.421 7.421 7.530 -0.109 19849 8053 1 17 . 1 1 17 17 PRO C C 17 177.159 177.159 175.446 1.713 19849 8054 1 17 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.246 -0.351 19849 8055 1 17 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.880 2.427 19849 8056 1 17 . 1 1 18 18 ILE N N 18 116.671 116.671 120.962 -4.291 19849 8057 1 17 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.239 0.055 19849 8058 1 17 . 1 1 18 18 ILE C C 18 175.085 175.085 176.367 -1.282 19849 8059 1 17 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.640 -0.613 19849 8060 1 17 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.380 0.636 19849 8061 1 17 . 1 1 18 18 ILE H H 18 7.917 7.917 7.902 0.015 19849 8062 1 17 . 1 1 19 19 HIS N N 19 117.574 117.574 120.024 -2.450 19849 8063 1 17 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.699 -0.257 19849 8064 1 17 . 1 1 19 19 HIS C C 19 171.727 171.727 172.841 -1.114 19849 8065 1 17 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.522 0.852 19849 8066 1 17 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.916 1.643 19849 8067 1 17 . 1 1 19 19 HIS H H 19 6.968 6.968 7.844 -0.876 19849 8068 1 17 . 1 1 20 20 LEU N N 20 128.803 128.803 127.239 1.564 19849 8069 1 17 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.614 -0.808 19849 8070 1 17 . 1 1 20 20 LEU C C 20 173.636 173.636 175.682 -2.046 19849 8071 1 17 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.485 -0.061 19849 8072 1 17 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.928 0.636 19849 8073 1 17 . 1 1 20 20 LEU H H 20 7.928 7.928 8.251 -0.323 19849 8074 1 17 . 1 1 21 21 GLU N N 21 125.639 125.639 125.597 0.042 19849 8075 1 17 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.555 -0.045 19849 8076 1 17 . 1 1 21 21 GLU C C 21 174.143 174.143 174.973 -0.830 19849 8077 1 17 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.461 0.248 19849 8078 1 17 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.748 1.845 19849 8079 1 17 . 1 1 21 21 GLU H H 21 8.703 8.703 8.296 0.407 19849 8080 1 17 . 1 1 22 22 VAL N N 22 126.675 126.675 119.141 7.534 19849 8081 1 17 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.823 -0.206 19849 8082 1 17 . 1 1 22 22 VAL C C 22 173.843 173.843 173.993 -0.150 19849 8083 1 17 . 1 1 22 22 VAL CA C 22 61.359 61.359 59.981 1.378 19849 8084 1 17 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.548 0.123 19849 8085 1 17 . 1 1 22 22 VAL H H 22 8.936 8.936 7.931 1.005 19849 8086 1 17 . 1 1 23 23 ILE N N 23 126.078 126.078 124.381 1.697 19849 8087 1 17 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.428 0.045 19849 8088 1 17 . 1 1 23 23 ILE C C 23 175.007 175.007 175.052 -0.045 19849 8089 1 17 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.012 0.434 19849 8090 1 17 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.186 3.051 19849 8091 1 17 . 1 1 23 23 ILE H H 23 9.099 9.099 8.001 1.098 19849 8092 1 17 . 1 1 24 24 ASP N N 24 127.026 127.026 129.358 -2.332 19849 8093 1 17 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.984 -0.374 19849 8094 1 17 . 1 1 24 24 ASP C C 24 176.888 176.888 176.967 -0.079 19849 8095 1 17 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.503 -1.639 19849 8096 1 17 . 1 1 24 24 ASP CB C 24 41.032 41.032 40.675 0.357 19849 8097 1 17 . 1 1 24 24 ASP H H 24 9.152 9.152 8.947 0.205 19849 8098 1 17 . 1 1 25 25 ILE N N 25 123.148 123.148 121.460 1.688 19849 8099 1 17 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.559 0.033 19849 8100 1 17 . 1 1 25 25 ILE C C 25 175.765 175.765 175.985 -0.220 19849 8101 1 17 . 1 1 25 25 ILE CA C 25 61.112 61.112 60.827 0.285 19849 8102 1 17 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.167 -1.254 19849 8103 1 17 . 1 1 25 25 ILE H H 25 7.915 7.915 8.073 -0.158 19849 8104 1 17 . 1 1 26 26 SER N N 26 119.373 119.373 115.411 3.962 19849 8105 1 17 . 1 1 26 26 SER HA H 26 4.520 4.520 4.861 -0.341 19849 8106 1 17 . 1 1 26 26 SER C C 26 175.488 175.488 174.754 0.734 19849 8107 1 17 . 1 1 26 26 SER CA C 26 58.030 58.030 58.443 -0.413 19849 8108 1 17 . 1 1 26 26 SER CB C 26 64.605 64.605 64.973 -0.368 19849 8109 1 17 . 1 1 26 26 SER H H 26 9.175 9.175 8.909 0.266 19849 8110 1 17 . 1 1 27 27 GLY N N 27 111.902 111.902 109.374 2.528 19849 8111 1 17 . 1 1 27 27 GLY C C 27 175.418 175.418 173.354 2.064 19849 8112 1 17 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.968 0.467 19849 8113 1 17 . 1 1 27 27 GLY H H 27 8.417 8.417 7.871 0.546 19849 8114 1 17 . 1 1 28 28 GLY N N 28 106.936 106.936 108.709 -1.773 19849 8115 1 17 . 1 1 28 28 GLY C C 28 177.627 177.627 175.002 2.625 19849 8116 1 17 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.485 0.143 19849 8117 1 17 . 1 1 28 28 GLY H H 28 7.864 7.864 8.496 -0.632 19849 8118 1 17 . 1 1 29 29 CYS N N 29 116.829 116.829 118.416 -1.587 19849 8119 1 17 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.389 -0.026 19849 8120 1 17 . 1 1 29 29 CYS CA C 29 59.440 59.440 60.104 -0.664 19849 8121 1 17 . 1 1 29 29 CYS CB C 29 27.858 27.858 27.211 0.647 19849 8122 1 17 . 1 1 29 29 CYS H H 29 7.380 7.380 8.277 -0.897 19849 8123 1 17 . 1 1 30 30 GLY N N 30 111.626 111.626 107.704 3.922 19849 8124 1 17 . 1 1 30 30 GLY C C 30 173.383 173.383 173.865 -0.482 19849 8125 1 17 . 1 1 30 30 GLY CA C 30 46.086 46.086 43.904 2.182 19849 8126 1 17 . 1 1 30 30 GLY H H 30 8.965 8.965 8.284 0.681 19849 8127 1 17 . 1 1 31 31 SER N N 31 111.735 111.735 116.278 -4.543 19849 8128 1 17 . 1 1 31 31 SER HA H 31 4.639 4.639 3.835 0.804 19849 8129 1 17 . 1 1 31 31 SER C C 31 174.246 174.246 173.291 0.955 19849 8130 1 17 . 1 1 31 31 SER CA C 31 58.203 58.203 59.259 -1.056 19849 8131 1 17 . 1 1 31 31 SER CB C 31 64.459 64.459 62.863 1.596 19849 8132 1 17 . 1 1 31 31 SER H H 31 8.220 8.220 7.915 0.305 19849 8133 1 17 . 1 1 32 32 SER N N 32 116.259 116.259 122.315 -6.056 19849 8134 1 17 . 1 1 32 32 SER HA H 32 5.346 5.346 5.293 0.053 19849 8135 1 17 . 1 1 32 32 SER C C 32 176.363 176.363 172.608 3.755 19849 8136 1 17 . 1 1 32 32 SER CA C 32 57.400 57.400 57.230 0.170 19849 8137 1 17 . 1 1 32 32 SER CB C 32 62.866 62.866 66.194 -3.328 19849 8138 1 17 . 1 1 32 32 SER H H 32 7.253 7.253 8.441 -1.188 19849 8139 1 17 . 1 1 33 33 PHE N N 33 118.533 118.533 122.163 -3.630 19849 8140 1 17 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.259 0.397 19849 8141 1 17 . 1 1 33 33 PHE C C 33 174.163 174.163 175.223 -1.060 19849 8142 1 17 . 1 1 33 33 PHE CA C 33 56.382 56.382 55.390 0.992 19849 8143 1 17 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.019 2.432 19849 8144 1 17 . 1 1 33 33 PHE H H 33 7.995 7.995 9.051 -1.056 19849 8145 1 17 . 1 1 34 34 GLU N N 34 122.301 122.301 123.968 -1.667 19849 8146 1 17 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.879 0.681 19849 8147 1 17 . 1 1 34 34 GLU C C 34 175.902 175.902 176.626 -0.724 19849 8148 1 17 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.188 -0.812 19849 8149 1 17 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.196 4.347 19849 8150 1 17 . 1 1 34 34 GLU H H 34 9.436 9.436 8.454 0.982 19849 8151 1 17 . 1 1 35 35 VAL N N 35 118.350 118.350 120.422 -2.072 19849 8152 1 17 . 1 1 35 35 VAL HA H 35 5.369 5.369 5.028 0.341 19849 8153 1 17 . 1 1 35 35 VAL C C 35 174.616 174.616 175.125 -0.509 19849 8154 1 17 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.498 -0.134 19849 8155 1 17 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.042 2.136 19849 8156 1 17 . 1 1 35 35 VAL H H 35 8.784 8.784 8.873 -0.089 19849 8157 1 17 . 1 1 36 36 GLU N N 36 123.537 123.537 125.520 -1.983 19849 8158 1 17 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.649 0.320 19849 8159 1 17 . 1 1 36 36 GLU C C 36 174.745 174.745 175.128 -0.383 19849 8160 1 17 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.378 -0.187 19849 8161 1 17 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.731 1.355 19849 8162 1 17 . 1 1 36 36 GLU H H 36 8.859 8.859 8.379 0.480 19849 8163 1 17 . 1 1 37 37 VAL N N 37 120.272 120.272 126.065 -5.793 19849 8164 1 17 . 1 1 37 37 VAL HA H 37 4.612 4.612 4.948 -0.336 19849 8165 1 17 . 1 1 37 37 VAL C C 37 172.679 172.679 174.572 -1.893 19849 8166 1 17 . 1 1 37 37 VAL CA C 37 60.290 60.290 61.110 -0.820 19849 8167 1 17 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.681 0.340 19849 8168 1 17 . 1 1 37 37 VAL H H 37 8.497 8.497 9.229 -0.732 19849 8169 1 17 . 1 1 38 38 VAL N N 38 127.971 127.971 128.116 -0.145 19849 8170 1 17 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.381 -0.124 19849 8171 1 17 . 1 1 38 38 VAL C C 38 175.842 175.842 174.779 1.063 19849 8172 1 17 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.550 -1.076 19849 8173 1 17 . 1 1 38 38 VAL CB C 38 33.115 33.115 31.193 1.922 19849 8174 1 17 . 1 1 38 38 VAL H H 38 8.169 8.169 8.289 -0.120 19849 8175 1 17 . 1 1 39 39 SER N N 39 117.426 117.426 119.332 -1.906 19849 8176 1 17 . 1 1 39 39 SER HA H 39 4.821 4.821 4.715 0.106 19849 8177 1 17 . 1 1 39 39 SER C C 39 175.323 175.323 173.814 1.509 19849 8178 1 17 . 1 1 39 39 SER CA C 39 55.888 55.888 55.865 0.023 19849 8179 1 17 . 1 1 39 39 SER CB C 39 64.183 64.183 65.053 -0.870 19849 8180 1 17 . 1 1 39 39 SER H H 39 8.304 8.304 7.904 0.400 19849 8181 1 17 . 1 1 40 40 GLU N N 40 131.571 131.571 121.469 10.102 19849 8182 1 17 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.023 0.096 19849 8183 1 17 . 1 1 40 40 GLU C C 40 177.887 177.887 177.506 0.381 19849 8184 1 17 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.834 -0.153 19849 8185 1 17 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.039 0.591 19849 8186 1 17 . 1 1 40 40 GLU H H 40 9.911 9.911 9.015 0.896 19849 8187 1 17 . 1 1 41 41 GLN N N 41 117.534 117.534 117.563 -0.029 19849 8188 1 17 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.137 -0.153 19849 8189 1 17 . 1 1 41 41 GLN C C 41 176.391 176.391 175.406 0.985 19849 8190 1 17 . 1 1 41 41 GLN CA C 41 57.443 57.443 57.292 0.151 19849 8191 1 17 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.921 -0.018 19849 8192 1 17 . 1 1 41 41 GLN H H 41 8.219 8.219 7.976 0.243 19849 8193 1 17 . 1 1 42 42 PHE N N 42 113.224 113.224 115.793 -2.569 19849 8194 1 17 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.744 -0.218 19849 8195 1 17 . 1 1 42 42 PHE C C 42 175.064 175.064 174.369 0.695 19849 8196 1 17 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.511 -0.372 19849 8197 1 17 . 1 1 42 42 PHE CB C 42 37.636 37.636 39.049 -1.413 19849 8198 1 17 . 1 1 42 42 PHE H H 42 6.894 6.894 7.788 -0.894 19849 8199 1 17 . 1 1 43 43 GLU N N 43 121.136 121.136 122.626 -1.490 19849 8200 1 17 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.519 -0.552 19849 8201 1 17 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.286 2.075 19849 8202 1 17 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.943 0.291 19849 8203 1 17 . 1 1 43 43 GLU H H 43 7.469 7.469 7.477 -0.008 19849 8204 1 17 . 1 1 44 44 GLY N N 44 114.819 114.819 117.690 -2.871 19849 8205 1 17 . 1 1 44 44 GLY C C 44 174.101 174.101 174.159 -0.058 19849 8206 1 17 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.254 -0.629 19849 8207 1 17 . 1 1 44 44 GLY H H 44 9.014 9.014 8.966 0.048 19849 8208 1 17 . 1 1 45 45 LYS N N 45 118.678 118.678 119.812 -1.134 19849 8209 1 17 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.549 0.140 19849 8210 1 17 . 1 1 45 45 LYS C C 45 177.858 177.858 176.321 1.537 19849 8211 1 17 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.895 -1.334 19849 8212 1 17 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.837 -0.396 19849 8213 1 17 . 1 1 45 45 LYS H H 45 7.932 7.932 7.432 0.500 19849 8214 1 17 . 1 1 46 46 ARG N N 46 125.430 125.430 121.899 3.531 19849 8215 1 17 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.411 -0.118 19849 8216 1 17 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.500 0.279 19849 8217 1 17 . 1 1 46 46 ARG H H 46 9.288 9.288 8.676 0.612 19849 8218 1 17 . 1 1 47 47 LEU N N 47 124.205 124.205 125.361 -1.156 19849 8219 1 17 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.651 0.051 19849 8220 1 17 . 1 1 47 47 LEU C C 47 178.476 178.476 178.570 -0.094 19849 8221 1 17 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.580 2.109 19849 8222 1 17 . 1 1 47 47 LEU H H 47 8.320 8.320 8.961 -0.641 19849 8223 1 17 . 1 1 48 48 LEU N N 48 115.874 115.874 117.884 -2.010 19849 8224 1 17 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.186 -0.414 19849 8225 1 17 . 1 1 48 48 LEU C C 48 179.985 179.985 179.336 0.649 19849 8226 1 17 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.275 0.348 19849 8227 1 17 . 1 1 48 48 LEU H H 48 8.587 8.587 8.058 0.529 19849 8228 1 17 . 1 1 49 49 GLU N N 49 118.216 118.216 118.863 -0.647 19849 8229 1 17 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.024 0.084 19849 8230 1 17 . 1 1 49 49 GLU C C 49 177.944 177.944 179.557 -1.613 19849 8231 1 17 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.087 -0.669 19849 8232 1 17 . 1 1 49 49 GLU H H 49 6.964 6.964 7.943 -0.979 19849 8233 1 17 . 1 1 50 50 ARG N N 50 119.674 119.674 119.828 -0.154 19849 8234 1 17 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.267 -0.350 19849 8235 1 17 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.640 -0.566 19849 8236 1 17 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.106 -1.095 19849 8237 1 17 . 1 1 50 50 ARG H H 50 7.991 7.991 8.412 -0.421 19849 8238 1 17 . 1 1 51 51 HIS N N 51 117.056 117.056 117.965 -0.909 19849 8239 1 17 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.396 -0.400 19849 8240 1 17 . 1 1 51 51 HIS C C 51 176.638 176.638 177.832 -1.194 19849 8241 1 17 . 1 1 51 51 HIS H H 51 8.294 8.294 8.116 0.178 19849 8242 1 17 . 1 1 52 52 ARG N N 52 120.626 120.626 118.071 2.555 19849 8243 1 17 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.123 0.095 19849 8244 1 17 . 1 1 52 52 ARG C C 52 179.014 179.014 177.138 1.876 19849 8245 1 17 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.951 1.041 19849 8246 1 17 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.226 -0.667 19849 8247 1 17 . 1 1 52 52 ARG H H 52 8.001 8.001 8.293 -0.292 19849 8248 1 17 . 1 1 53 53 MET N N 53 119.087 119.087 117.908 1.179 19849 8249 1 17 . 1 1 53 53 MET HA H 53 4.006 4.006 4.466 -0.460 19849 8250 1 17 . 1 1 53 53 MET C C 53 179.286 179.286 177.571 1.715 19849 8251 1 17 . 1 1 53 53 MET CA C 53 59.404 59.404 56.830 2.574 19849 8252 1 17 . 1 1 53 53 MET CB C 53 34.976 34.976 33.302 1.674 19849 8253 1 17 . 1 1 53 53 MET H H 53 8.162 8.162 7.542 0.620 19849 8254 1 17 . 1 1 54 54 VAL N N 54 120.886 120.886 120.080 0.806 19849 8255 1 17 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.599 -0.174 19849 8256 1 17 . 1 1 54 54 VAL C C 54 176.296 176.296 177.866 -1.570 19849 8257 1 17 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.457 0.376 19849 8258 1 17 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.041 -0.597 19849 8259 1 17 . 1 1 54 54 VAL H H 54 7.790 7.790 8.218 -0.428 19849 8260 1 17 . 1 1 55 55 ASN N N 55 116.881 116.881 117.274 -0.393 19849 8261 1 17 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.516 -0.503 19849 8262 1 17 . 1 1 55 55 ASN C C 55 178.422 178.422 176.673 1.749 19849 8263 1 17 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.163 1.966 19849 8264 1 17 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.352 0.515 19849 8265 1 17 . 1 1 55 55 ASN H H 55 8.032 8.032 8.421 -0.389 19849 8266 1 17 . 1 1 56 56 ALA N N 56 121.164 121.164 122.756 -1.592 19849 8267 1 17 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.154 -0.071 19849 8268 1 17 . 1 1 56 56 ALA C C 56 180.700 180.700 178.765 1.935 19849 8269 1 17 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.552 0.048 19849 8270 1 17 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.095 0.167 19849 8271 1 17 . 1 1 56 56 ALA H H 56 8.578 8.578 7.767 0.811 19849 8272 1 17 . 1 1 57 57 ALA N N 57 121.156 121.156 118.772 2.384 19849 8273 1 17 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.414 -0.382 19849 8274 1 17 . 1 1 57 57 ALA C C 57 177.240 177.240 177.047 0.193 19849 8275 1 17 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.659 0.428 19849 8276 1 17 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.267 -0.805 19849 8277 1 17 . 1 1 57 57 ALA H H 57 7.609 7.609 7.626 -0.017 19849 8278 1 17 . 1 1 58 58 LEU N N 58 116.065 116.065 115.659 0.406 19849 8279 1 17 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.938 -0.043 19849 8280 1 17 . 1 1 58 58 LEU C C 58 176.446 176.446 177.515 -1.069 19849 8281 1 17 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.677 -2.156 19849 8282 1 17 . 1 1 58 58 LEU CB C 58 42.753 42.753 43.317 -0.564 19849 8283 1 17 . 1 1 58 58 LEU H H 58 6.995 6.995 7.114 -0.119 19849 8284 1 17 . 1 1 59 59 GLU N N 59 120.288 120.288 122.101 -1.813 19849 8285 1 17 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.991 -0.217 19849 8286 1 17 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.581 0.155 19849 8287 1 17 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.660 0.346 19849 8288 1 17 . 1 1 59 59 GLU H H 59 7.034 7.034 8.242 -1.208 19849 8289 1 17 . 1 1 60 60 GLU N N 60 116.322 116.322 118.010 -1.688 19849 8290 1 17 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.089 -0.059 19849 8291 1 17 . 1 1 60 60 GLU C C 60 179.270 179.270 178.412 0.858 19849 8292 1 17 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.027 -0.334 19849 8293 1 17 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.228 1.088 19849 8294 1 17 . 1 1 60 60 GLU H H 60 8.622 8.622 8.694 -0.072 19849 8295 1 17 . 1 1 61 61 GLU N N 61 121.506 121.506 119.995 1.511 19849 8296 1 17 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.100 -0.210 19849 8297 1 17 . 1 1 61 61 GLU C C 61 179.010 179.010 178.125 0.885 19849 8298 1 17 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.244 1.718 19849 8299 1 17 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.143 -0.668 19849 8300 1 17 . 1 1 61 61 GLU H H 61 8.946 8.946 8.084 0.862 19849 8301 1 17 . 1 1 62 62 MET N N 62 116.213 116.213 117.844 -1.631 19849 8302 1 17 . 1 1 62 62 MET HA H 62 4.312 4.312 4.148 0.164 19849 8303 1 17 . 1 1 62 62 MET CA C 62 56.302 56.302 57.613 -1.311 19849 8304 1 17 . 1 1 62 62 MET CB C 62 30.553 30.553 32.683 -2.130 19849 8305 1 17 . 1 1 62 62 MET H H 62 8.693 8.693 7.945 0.748 19849 8306 1 17 . 1 1 63 63 LYS N N 63 116.969 116.969 114.299 2.670 19849 8307 1 17 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.159 -0.074 19849 8308 1 17 . 1 1 63 63 LYS C C 63 177.541 177.541 178.024 -0.483 19849 8309 1 17 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.695 1.033 19849 8310 1 17 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.387 0.138 19849 8311 1 17 . 1 1 63 63 LYS H H 63 7.470 7.470 7.423 0.047 19849 8312 1 17 . 1 1 64 64 GLU N N 64 115.556 115.556 118.432 -2.876 19849 8313 1 17 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.343 0.122 19849 8314 1 17 . 1 1 64 64 GLU C C 64 175.679 175.679 177.014 -1.335 19849 8315 1 17 . 1 1 64 64 GLU CA C 64 55.603 55.603 57.380 -1.777 19849 8316 1 17 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.265 1.005 19849 8317 1 17 . 1 1 64 64 GLU H H 64 7.773 7.773 7.902 -0.129 19849 8318 1 17 . 1 1 65 65 ILE N N 65 120.461 120.461 113.849 6.612 19849 8319 1 17 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.325 -0.246 19849 8320 1 17 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.384 2.324 19849 8321 1 17 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.664 0.418 19849 8322 1 17 . 1 1 65 65 ILE H H 65 7.502 7.502 7.501 0.001 19849 8323 1 17 . 1 1 66 66 HIS N N 66 125.683 125.683 119.301 6.382 19849 8324 1 17 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.604 -0.059 19849 8325 1 17 . 1 1 66 66 HIS CA C 66 57.683 57.683 56.023 1.661 19849 8326 1 17 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.760 -1.483 19849 8327 1 17 . 1 1 66 66 HIS H H 66 9.196 9.196 8.374 0.822 19849 8328 1 17 . 1 1 67 67 ALA N N 67 120.229 120.229 119.696 0.533 19849 8329 1 17 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.257 0.167 19849 8330 1 17 . 1 1 67 67 ALA C C 67 173.834 173.834 174.542 -0.708 19849 8331 1 17 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.154 -0.005 19849 8332 1 17 . 1 1 67 67 ALA CB C 67 21.441 21.441 21.433 0.008 19849 8333 1 17 . 1 1 67 67 ALA H H 67 7.493 7.493 7.386 0.107 19849 8334 1 17 . 1 1 68 68 LEU N N 68 124.546 124.546 124.387 0.159 19849 8335 1 17 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.217 -0.223 19849 8336 1 17 . 1 1 68 68 LEU C C 68 175.157 175.157 175.668 -0.511 19849 8337 1 17 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.229 -1.038 19849 8338 1 17 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.272 -0.504 19849 8339 1 17 . 1 1 68 68 LEU H H 68 8.557 8.557 8.175 0.382 19849 8340 1 17 . 1 1 69 69 SER N N 69 122.077 122.077 122.815 -0.738 19849 8341 1 17 . 1 1 69 69 SER HA H 69 4.677 4.677 4.627 0.050 19849 8342 1 17 . 1 1 69 69 SER C C 69 173.548 173.548 173.461 0.087 19849 8343 1 17 . 1 1 69 69 SER CA C 69 55.803 55.803 57.795 -1.992 19849 8344 1 17 . 1 1 69 69 SER CB C 69 63.549 63.549 63.655 -0.106 19849 8345 1 17 . 1 1 69 69 SER H H 69 8.854 8.854 9.002 -0.148 19849 8346 1 17 . 1 1 70 70 ILE N N 70 129.143 129.143 128.655 0.488 19849 8347 1 17 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.434 -0.328 19849 8348 1 17 . 1 1 70 70 ILE C C 70 175.059 175.059 175.414 -0.355 19849 8349 1 17 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.340 0.293 19849 8350 1 17 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.892 -1.464 19849 8351 1 17 . 1 1 70 70 ILE H H 70 8.922 8.922 8.606 0.316 19849 8352 1 17 . 1 1 71 71 LYS N N 71 130.019 130.019 126.590 3.429 19849 8353 1 17 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.147 -0.075 19849 8354 1 17 . 1 1 71 71 LYS C C 71 177.201 177.201 177.079 0.122 19849 8355 1 17 . 1 1 71 71 LYS CA C 71 57.938 57.938 56.976 0.962 19849 8356 1 17 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.395 1.031 19849 8357 1 17 . 1 1 71 71 LYS H H 71 8.676 8.676 8.097 0.579 19849 8358 1 17 . 1 1 72 72 LYS N N 72 113.659 113.659 119.991 -6.332 19849 8359 1 17 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.547 -0.072 19849 8360 1 17 . 1 1 72 72 LYS C C 72 174.013 174.013 174.113 -0.100 19849 8361 1 17 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.729 0.235 19849 8362 1 17 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.370 2.324 19849 8363 1 17 . 1 1 72 72 LYS H H 72 7.195 7.195 7.484 -0.289 19849 8364 1 17 . 1 1 73 73 ALA N N 73 129.019 129.019 128.855 0.164 19849 8365 1 17 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.854 0.348 19849 8366 1 17 . 1 1 73 73 ALA C C 73 175.410 175.410 175.393 0.017 19849 8367 1 17 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.376 0.572 19849 8368 1 17 . 1 1 73 73 ALA CB C 73 17.688 17.688 20.079 -2.392 19849 8369 1 17 . 1 1 73 73 ALA H H 73 8.847 8.847 8.662 0.185 19849 8370 1 17 . 1 1 74 74 GLN N N 74 120.993 120.993 123.431 -2.438 19849 8371 1 17 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.815 0.031 19849 8372 1 17 . 1 1 74 74 GLN C C 74 175.603 175.603 174.008 1.595 19849 8373 1 17 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.428 0.345 19849 8374 1 17 . 1 1 74 74 GLN CB C 74 34.955 34.955 33.664 1.291 19849 8375 1 17 . 1 1 74 74 GLN H H 74 8.398 8.398 8.441 -0.043 19849 8376 1 17 . 1 1 75 75 THR N N 75 111.917 111.917 115.998 -4.081 19849 8377 1 17 . 1 1 75 75 THR HA H 75 4.866 4.866 4.891 -0.025 19849 8378 1 17 . 1 1 75 75 THR CA C 75 59.600 59.600 58.891 0.709 19849 8379 1 17 . 1 1 75 75 THR H H 75 8.920 8.920 8.355 0.565 19849 8380 1 17 . 1 1 76 76 PRO C C 76 177.659 177.659 177.492 0.167 19849 8381 1 17 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.290 1.153 19849 8382 1 17 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.707 0.169 19849 8383 1 17 . 1 1 77 77 GLN N N 77 114.329 114.329 115.732 -1.403 19849 8384 1 17 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.220 -0.154 19849 8385 1 17 . 1 1 77 77 GLN C C 77 177.630 177.630 178.655 -1.025 19849 8386 1 17 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.769 -0.117 19849 8387 1 17 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.677 0.561 19849 8388 1 17 . 1 1 77 77 GLN H H 77 8.481 8.481 8.582 -0.101 19849 8389 1 17 . 1 1 78 78 GLN N N 78 116.831 116.831 119.497 -2.666 19849 8390 1 17 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.288 -0.195 19849 8391 1 17 . 1 1 78 78 GLN C C 78 176.403 176.403 177.267 -0.864 19849 8392 1 17 . 1 1 78 78 GLN CA C 78 57.293 57.293 58.170 -0.877 19849 8393 1 17 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.035 1.940 19849 8394 1 17 . 1 1 78 78 GLN H H 78 7.503 7.503 8.102 -0.599 19849 8395 1 17 . 1 1 79 79 TRP N N 79 120.561 120.561 119.822 0.739 19849 8396 1 17 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.495 -0.108 19849 8397 1 17 . 1 1 79 79 TRP C C 79 175.429 175.429 177.092 -1.663 19849 8398 1 17 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.073 -0.512 19849 8399 1 17 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.416 1.498 19849 8400 1 17 . 1 1 79 79 TRP H H 79 7.668 7.668 8.337 -0.669 19849 8401 1 17 . 1 1 80 80 LYS N N 80 120.883 120.883 118.988 1.895 19849 8402 1 17 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.151 0.049 19849 8403 1 17 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.747 -5.709 19849 8404 1 17 . 1 1 80 80 LYS H H 80 7.768 7.768 8.123 -0.355 19849 8405 1 17 . 1 1 82 82 PRO C C 82 176.919 176.919 176.047 0.872 19849 8406 1 17 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.995 -0.055 19849 8407 1 17 . 1 1 82 82 PRO CB C 82 32.026 32.026 31.855 0.171 19849 8408 1 17 . 1 1 83 83 SER N N 83 115.592 115.592 117.610 -2.018 19849 8409 1 17 . 1 1 83 83 SER HA H 83 4.315 4.315 4.474 -0.159 19849 8410 1 17 . 1 1 83 83 SER C C 83 174.665 174.665 174.232 0.433 19849 8411 1 17 . 1 1 83 83 SER CA C 83 58.162 58.162 58.410 -0.248 19849 8412 1 17 . 1 1 83 83 SER CB C 83 63.831 63.831 63.213 0.618 19849 8413 1 17 . 1 1 83 83 SER H H 83 8.264 8.264 8.153 0.111 19849 8414 1 17 . 1 1 84 84 GLN N N 84 122.131 122.131 118.784 3.347 19849 8415 1 17 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.404 -0.115 19849 8416 1 17 . 1 1 84 84 GLN C C 84 175.598 175.598 175.376 0.222 19849 8417 1 17 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.000 -0.149 19849 8418 1 17 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.244 0.375 19849 8419 1 17 . 1 1 84 84 GLN H H 84 8.430 8.430 7.798 0.632 19849 8420 1 17 . 1 1 85 85 ASP N N 85 121.550 121.550 119.058 2.492 19849 8421 1 17 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.614 -0.080 19849 8422 1 17 . 1 1 85 85 ASP C C 85 176.431 176.431 178.578 -2.147 19849 8423 1 17 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.725 -1.301 19849 8424 1 17 . 1 1 85 85 ASP CB C 85 41.270 41.270 41.021 0.249 19849 8425 1 17 . 1 1 85 85 ASP H H 85 8.307 8.307 8.175 0.132 19849 8426 1 17 . 1 1 86 86 SER N N 86 116.617 116.617 116.550 0.067 19849 8427 1 17 . 1 1 86 86 SER HA H 86 4.316 4.316 4.262 0.054 19849 8428 1 17 . 1 1 86 86 SER C C 86 174.590 174.590 174.178 0.412 19849 8429 1 17 . 1 1 86 86 SER CA C 86 58.797 58.797 60.487 -1.690 19849 8430 1 17 . 1 1 86 86 SER CB C 86 63.667 63.667 63.189 0.478 19849 8431 1 17 . 1 1 86 86 SER H H 86 8.231 8.231 8.046 0.185 19849 8432 1 17 . 1 1 87 87 ALA N N 87 125.663 125.663 118.717 6.946 19849 8433 1 17 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.659 -0.369 19849 8434 1 17 . 1 1 87 87 ALA C C 87 178.018 178.018 177.895 0.123 19849 8435 1 17 . 1 1 87 87 ALA CA C 87 52.952 52.952 51.330 1.622 19849 8436 1 17 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.335 0.782 19849 8437 1 17 . 1 1 87 87 ALA H H 87 8.312 8.312 8.060 0.252 19849 8438 1 17 . 1 1 88 88 THR N N 88 112.987 112.987 115.144 -2.157 19849 8439 1 17 . 1 1 88 88 THR HA H 88 4.221 4.221 4.155 0.066 19849 8440 1 17 . 1 1 88 88 THR C C 88 174.488 174.488 175.193 -0.705 19849 8441 1 17 . 1 1 88 88 THR CA C 88 62.115 62.115 65.250 -3.135 19849 8442 1 17 . 1 1 88 88 THR CB C 88 69.626 69.626 68.700 0.926 19849 8443 1 17 . 1 1 88 88 THR H H 88 7.997 7.997 7.562 0.435 19849 8444 1 17 . 1 1 89 89 LEU N N 89 124.655 124.655 117.852 6.803 19849 8445 1 17 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.526 -0.170 19849 8446 1 17 . 1 1 89 89 LEU C C 89 177.367 177.367 175.796 1.571 19849 8447 1 17 . 1 1 89 89 LEU CA C 89 55.263 55.263 54.535 0.728 19849 8448 1 17 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.364 -0.872 19849 8449 1 17 . 1 1 89 89 LEU H H 89 8.119 8.119 7.738 0.381 19849 8450 1 17 . 1 1 90 90 THR N N 90 115.527 115.527 110.202 5.325 19849 8451 1 17 . 1 1 90 90 THR HA H 90 4.261 4.261 4.067 0.194 19849 8452 1 17 . 1 1 90 90 THR CA C 90 61.707 61.707 63.623 -1.916 19849 8453 1 17 . 1 1 90 90 THR CB C 90 69.825 69.825 67.837 1.988 19849 8454 1 17 . 1 1 90 90 THR H H 90 8.086 8.086 8.108 -0.022 19849 8455 1 17 . 1 1 91 91 LYS N N 91 123.923 123.923 115.687 8.236 19849 8456 1 17 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.459 -0.166 19849 8457 1 17 . 1 1 91 91 LYS C C 91 175.949 175.949 176.035 -0.086 19849 8458 1 17 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.827 -0.662 19849 8459 1 17 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.483 0.776 19849 8460 1 17 . 1 1 91 91 LYS H H 91 8.272 8.272 8.071 0.201 19849 8461 1 17 . 1 1 92 92 ASP N N 92 122.237 122.237 121.304 0.933 19849 8462 1 17 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.688 -0.178 19849 8463 1 17 . 1 1 92 92 ASP C C 92 174.733 174.733 176.944 -2.211 19849 8464 1 17 . 1 1 92 92 ASP CA C 92 54.535 54.535 53.938 0.597 19849 8465 1 17 . 1 1 92 92 ASP CB C 92 41.111 41.111 41.980 -0.869 19849 8466 1 17 . 1 1 92 92 ASP H H 92 8.340 8.340 8.200 0.140 19849 8467 1 18 . 1 1 2 2 VAL N N 2 120.462 120.462 124.712 -4.250 19849 8468 1 18 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.636 -0.128 19849 8469 1 18 . 1 1 2 2 VAL C C 2 174.797 174.797 174.141 0.656 19849 8470 1 18 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.573 -0.288 19849 8471 1 18 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.139 -1.317 19849 8472 1 18 . 1 1 2 2 VAL H H 2 8.729 8.729 8.461 0.268 19849 8473 1 18 . 1 1 3 3 THR N N 3 113.531 113.531 116.367 -2.836 19849 8474 1 18 . 1 1 3 3 THR HA H 3 4.794 4.794 4.802 -0.008 19849 8475 1 18 . 1 1 3 3 THR C C 3 175.419 175.419 174.805 0.614 19849 8476 1 18 . 1 1 3 3 THR CA C 3 59.466 59.466 59.966 -0.500 19849 8477 1 18 . 1 1 3 3 THR H H 3 7.740 7.740 8.293 -0.553 19849 8478 1 18 . 1 1 4 4 LYS N N 4 121.981 121.981 121.007 0.974 19849 8479 1 18 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.365 0.072 19849 8480 1 18 . 1 1 4 4 LYS C C 4 177.186 177.186 177.452 -0.266 19849 8481 1 18 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.939 0.777 19849 8482 1 18 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.051 1.159 19849 8483 1 18 . 1 1 4 4 LYS H H 4 9.168 9.168 8.930 0.238 19849 8484 1 18 . 1 1 5 5 GLU N N 5 117.723 117.723 117.119 0.604 19849 8485 1 18 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.113 -0.061 19849 8486 1 18 . 1 1 5 5 GLU C C 5 179.351 179.351 178.613 0.738 19849 8487 1 18 . 1 1 5 5 GLU CA C 5 60.508 60.508 58.956 1.552 19849 8488 1 18 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.007 -0.613 19849 8489 1 18 . 1 1 5 5 GLU H H 5 8.835 8.835 8.667 0.168 19849 8490 1 18 . 1 1 6 6 GLN N N 6 122.133 122.133 118.694 3.439 19849 8491 1 18 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.181 -0.172 19849 8492 1 18 . 1 1 6 6 GLN C C 6 178.109 178.109 178.039 0.070 19849 8493 1 18 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.263 0.615 19849 8494 1 18 . 1 1 6 6 GLN CB C 6 28.873 28.873 27.956 0.917 19849 8495 1 18 . 1 1 6 6 GLN H H 6 7.867 7.867 7.750 0.117 19849 8496 1 18 . 1 1 7 7 VAL N N 7 120.130 120.130 121.443 -1.313 19849 8497 1 18 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.559 -0.422 19849 8498 1 18 . 1 1 7 7 VAL C C 7 177.807 177.807 178.010 -0.203 19849 8499 1 18 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.726 -0.213 19849 8500 1 18 . 1 1 7 7 VAL CB C 7 31.241 31.241 31.069 0.172 19849 8501 1 18 . 1 1 7 7 VAL H H 7 7.447 7.447 7.232 0.215 19849 8502 1 18 . 1 1 8 8 GLU N N 8 117.342 117.342 120.384 -3.042 19849 8503 1 18 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.844 -0.274 19849 8504 1 18 . 1 1 8 8 GLU C C 8 174.166 174.166 177.985 -3.819 19849 8505 1 18 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.725 -0.026 19849 8506 1 18 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.059 0.785 19849 8507 1 18 . 1 1 8 8 GLU H H 8 8.529 8.529 8.209 0.320 19849 8508 1 18 . 1 1 9 9 ALA N N 9 124.344 124.344 119.831 4.513 19849 8509 1 18 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.316 0.104 19849 8510 1 18 . 1 1 9 9 ALA C C 9 177.996 177.996 179.645 -1.649 19849 8511 1 18 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.432 1.091 19849 8512 1 18 . 1 1 9 9 ALA H H 9 8.301 8.301 7.487 0.814 19849 8513 1 18 . 1 1 10 10 SER N N 10 117.198 117.198 115.570 1.628 19849 8514 1 18 . 1 1 10 10 SER HA H 10 4.374 4.374 4.219 0.155 19849 8515 1 18 . 1 1 10 10 SER C C 10 175.219 175.219 176.669 -1.450 19849 8516 1 18 . 1 1 10 10 SER CA C 10 62.207 62.207 61.508 0.700 19849 8517 1 18 . 1 1 10 10 SER H H 10 8.303 8.303 7.683 0.620 19849 8518 1 18 . 1 1 11 11 LEU N N 11 118.287 118.287 121.116 -2.829 19849 8519 1 18 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.106 -0.291 19849 8520 1 18 . 1 1 11 11 LEU C C 11 179.247 179.247 178.974 0.273 19849 8521 1 18 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.838 0.371 19849 8522 1 18 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.586 0.942 19849 8523 1 18 . 1 1 11 11 LEU H H 11 7.973 7.973 8.600 -0.627 19849 8524 1 18 . 1 1 12 12 THR N N 12 116.416 116.416 114.214 2.202 19849 8525 1 18 . 1 1 12 12 THR HA H 12 3.530 3.530 3.932 -0.402 19849 8526 1 18 . 1 1 12 12 THR C C 12 176.464 176.464 176.002 0.462 19849 8527 1 18 . 1 1 12 12 THR CA C 12 67.016 67.016 66.577 0.439 19849 8528 1 18 . 1 1 12 12 THR CB C 12 68.586 68.586 68.407 0.179 19849 8529 1 18 . 1 1 12 12 THR H H 12 8.440 8.440 7.764 0.676 19849 8530 1 18 . 1 1 13 13 SER N N 13 115.144 115.144 116.485 -1.341 19849 8531 1 18 . 1 1 13 13 SER HA H 13 4.105 4.105 4.390 -0.285 19849 8532 1 18 . 1 1 13 13 SER C C 13 176.285 176.285 175.588 0.697 19849 8533 1 18 . 1 1 13 13 SER CA C 13 61.032 61.032 60.616 0.416 19849 8534 1 18 . 1 1 13 13 SER CB C 13 63.045 63.045 63.319 -0.274 19849 8535 1 18 . 1 1 13 13 SER H H 13 8.022 8.022 7.681 0.341 19849 8536 1 18 . 1 1 14 14 LYS N N 14 116.028 116.028 119.227 -3.199 19849 8537 1 18 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.215 0.096 19849 8538 1 18 . 1 1 14 14 LYS C C 14 178.041 178.041 177.934 0.107 19849 8539 1 18 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.533 -0.691 19849 8540 1 18 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.014 0.843 19849 8541 1 18 . 1 1 14 14 LYS H H 14 7.466 7.466 7.946 -0.480 19849 8542 1 18 . 1 1 15 15 LEU N N 15 114.405 114.405 116.804 -2.399 19849 8543 1 18 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.363 0.056 19849 8544 1 18 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.681 0.243 19849 8545 1 18 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.691 -1.331 19849 8546 1 18 . 1 1 15 15 LEU H H 15 7.842 7.842 8.087 -0.245 19849 8547 1 18 . 1 1 16 16 LYS N N 16 116.513 116.513 116.770 -0.257 19849 8548 1 18 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.261 -0.141 19849 8549 1 18 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.478 -0.181 19849 8550 1 18 . 1 1 16 16 LYS H H 16 7.421 7.421 7.489 -0.068 19849 8551 1 18 . 1 1 17 17 PRO C C 17 177.159 177.159 175.419 1.740 19849 8552 1 18 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.302 -0.407 19849 8553 1 18 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.456 2.851 19849 8554 1 18 . 1 1 18 18 ILE N N 18 116.671 116.671 119.934 -3.263 19849 8555 1 18 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.010 0.284 19849 8556 1 18 . 1 1 18 18 ILE C C 18 175.085 175.085 176.865 -1.780 19849 8557 1 18 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.257 -1.230 19849 8558 1 18 . 1 1 18 18 ILE CB C 18 39.016 39.016 37.888 1.128 19849 8559 1 18 . 1 1 18 18 ILE H H 18 7.917 7.917 8.166 -0.249 19849 8560 1 18 . 1 1 19 19 HIS N N 19 117.574 117.574 116.153 1.421 19849 8561 1 18 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.714 -0.272 19849 8562 1 18 . 1 1 19 19 HIS C C 19 171.727 171.727 172.691 -0.964 19849 8563 1 18 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.810 0.564 19849 8564 1 18 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.675 1.884 19849 8565 1 18 . 1 1 19 19 HIS H H 19 6.968 6.968 7.796 -0.828 19849 8566 1 18 . 1 1 20 20 LEU N N 20 128.803 128.803 126.616 2.187 19849 8567 1 18 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.159 -0.353 19849 8568 1 18 . 1 1 20 20 LEU C C 20 173.636 173.636 175.743 -2.107 19849 8569 1 18 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.146 -0.722 19849 8570 1 18 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.887 0.677 19849 8571 1 18 . 1 1 20 20 LEU H H 20 7.928 7.928 8.131 -0.203 19849 8572 1 18 . 1 1 21 21 GLU N N 21 125.639 125.639 123.591 2.048 19849 8573 1 18 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.588 -0.078 19849 8574 1 18 . 1 1 21 21 GLU C C 21 174.143 174.143 175.285 -1.142 19849 8575 1 18 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.449 0.260 19849 8576 1 18 . 1 1 21 21 GLU CB C 21 33.593 33.593 32.228 1.365 19849 8577 1 18 . 1 1 21 21 GLU H H 21 8.703 8.703 8.222 0.481 19849 8578 1 18 . 1 1 22 22 VAL N N 22 126.675 126.675 120.955 5.720 19849 8579 1 18 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.912 -0.295 19849 8580 1 18 . 1 1 22 22 VAL C C 22 173.843 173.843 175.125 -1.282 19849 8581 1 18 . 1 1 22 22 VAL CA C 22 61.359 61.359 59.977 1.382 19849 8582 1 18 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.240 0.431 19849 8583 1 18 . 1 1 22 22 VAL H H 22 8.936 8.936 7.912 1.024 19849 8584 1 18 . 1 1 23 23 ILE N N 23 126.078 126.078 124.844 1.234 19849 8585 1 18 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.408 0.065 19849 8586 1 18 . 1 1 23 23 ILE C C 23 175.007 175.007 174.933 0.074 19849 8587 1 18 . 1 1 23 23 ILE CA C 23 59.446 59.446 58.988 0.458 19849 8588 1 18 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.793 2.444 19849 8589 1 18 . 1 1 23 23 ILE H H 23 9.099 9.099 8.235 0.864 19849 8590 1 18 . 1 1 24 24 ASP N N 24 127.026 127.026 129.442 -2.416 19849 8591 1 18 . 1 1 24 24 ASP HA H 24 4.610 4.610 5.106 -0.496 19849 8592 1 18 . 1 1 24 24 ASP C C 24 176.888 176.888 176.541 0.347 19849 8593 1 18 . 1 1 24 24 ASP CA C 24 53.864 53.864 54.876 -1.012 19849 8594 1 18 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.141 -0.109 19849 8595 1 18 . 1 1 24 24 ASP H H 24 9.152 9.152 8.969 0.183 19849 8596 1 18 . 1 1 25 25 ILE N N 25 123.148 123.148 127.329 -4.181 19849 8597 1 18 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.331 0.261 19849 8598 1 18 . 1 1 25 25 ILE C C 25 175.765 175.765 176.128 -0.363 19849 8599 1 18 . 1 1 25 25 ILE CA C 25 61.112 61.112 60.876 0.236 19849 8600 1 18 . 1 1 25 25 ILE CB C 25 36.913 36.913 37.153 -0.240 19849 8601 1 18 . 1 1 25 25 ILE H H 25 7.915 7.915 8.462 -0.547 19849 8602 1 18 . 1 1 26 26 SER N N 26 119.373 119.373 114.930 4.443 19849 8603 1 18 . 1 1 26 26 SER HA H 26 4.520 4.520 4.771 -0.251 19849 8604 1 18 . 1 1 26 26 SER C C 26 175.488 175.488 174.636 0.852 19849 8605 1 18 . 1 1 26 26 SER CA C 26 58.030 58.030 58.556 -0.526 19849 8606 1 18 . 1 1 26 26 SER CB C 26 64.605 64.605 65.153 -0.547 19849 8607 1 18 . 1 1 26 26 SER H H 26 9.175 9.175 8.899 0.276 19849 8608 1 18 . 1 1 27 27 GLY N N 27 111.902 111.902 109.537 2.365 19849 8609 1 18 . 1 1 27 27 GLY C C 27 175.418 175.418 173.300 2.118 19849 8610 1 18 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.781 0.654 19849 8611 1 18 . 1 1 27 27 GLY H H 27 8.417 8.417 7.804 0.613 19849 8612 1 18 . 1 1 28 28 GLY N N 28 106.936 106.936 107.239 -0.303 19849 8613 1 18 . 1 1 28 28 GLY C C 28 177.627 177.627 175.456 2.171 19849 8614 1 18 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.801 -0.173 19849 8615 1 18 . 1 1 28 28 GLY H H 28 7.864 7.864 8.374 -0.510 19849 8616 1 18 . 1 1 29 29 CYS N N 29 116.829 116.829 118.030 -1.201 19849 8617 1 18 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.403 -0.040 19849 8618 1 18 . 1 1 29 29 CYS CA C 29 59.440 59.440 60.076 -0.636 19849 8619 1 18 . 1 1 29 29 CYS CB C 29 27.858 27.858 26.467 1.391 19849 8620 1 18 . 1 1 29 29 CYS H H 29 7.380 7.380 8.194 -0.814 19849 8621 1 18 . 1 1 30 30 GLY N N 30 111.626 111.626 108.056 3.570 19849 8622 1 18 . 1 1 30 30 GLY C C 30 173.383 173.383 174.027 -0.644 19849 8623 1 18 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.033 2.053 19849 8624 1 18 . 1 1 30 30 GLY H H 30 8.965 8.965 8.207 0.758 19849 8625 1 18 . 1 1 31 31 SER N N 31 111.735 111.735 116.225 -4.490 19849 8626 1 18 . 1 1 31 31 SER HA H 31 4.639 4.639 3.893 0.746 19849 8627 1 18 . 1 1 31 31 SER C C 31 174.246 174.246 173.305 0.941 19849 8628 1 18 . 1 1 31 31 SER CA C 31 58.203 58.203 59.206 -1.003 19849 8629 1 18 . 1 1 31 31 SER CB C 31 64.459 64.459 62.947 1.512 19849 8630 1 18 . 1 1 31 31 SER H H 31 8.220 8.220 7.847 0.373 19849 8631 1 18 . 1 1 32 32 SER N N 32 116.259 116.259 122.831 -6.572 19849 8632 1 18 . 1 1 32 32 SER HA H 32 5.346 5.346 5.114 0.232 19849 8633 1 18 . 1 1 32 32 SER C C 32 176.363 176.363 172.799 3.564 19849 8634 1 18 . 1 1 32 32 SER CA C 32 57.400 57.400 57.224 0.176 19849 8635 1 18 . 1 1 32 32 SER CB C 32 62.866 62.866 65.114 -2.248 19849 8636 1 18 . 1 1 32 32 SER H H 32 7.253 7.253 8.357 -1.104 19849 8637 1 18 . 1 1 33 33 PHE N N 33 118.533 118.533 124.219 -5.686 19849 8638 1 18 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.259 0.397 19849 8639 1 18 . 1 1 33 33 PHE C C 33 174.163 174.163 175.304 -1.141 19849 8640 1 18 . 1 1 33 33 PHE CA C 33 56.382 56.382 55.211 1.171 19849 8641 1 18 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.203 3.247 19849 8642 1 18 . 1 1 33 33 PHE H H 33 7.995 7.995 9.057 -1.062 19849 8643 1 18 . 1 1 34 34 GLU N N 34 122.301 122.301 123.817 -1.516 19849 8644 1 18 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.887 0.673 19849 8645 1 18 . 1 1 34 34 GLU C C 34 175.902 175.902 175.847 0.055 19849 8646 1 18 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.181 -0.805 19849 8647 1 18 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.499 4.044 19849 8648 1 18 . 1 1 34 34 GLU H H 34 9.436 9.436 8.822 0.614 19849 8649 1 18 . 1 1 35 35 VAL N N 35 118.350 118.350 125.752 -7.402 19849 8650 1 18 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.579 0.790 19849 8651 1 18 . 1 1 35 35 VAL C C 35 174.616 174.616 173.930 0.686 19849 8652 1 18 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.693 -0.329 19849 8653 1 18 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.438 1.740 19849 8654 1 18 . 1 1 35 35 VAL H H 35 8.784 8.784 8.893 -0.109 19849 8655 1 18 . 1 1 36 36 GLU N N 36 123.537 123.537 129.295 -5.758 19849 8656 1 18 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.701 0.268 19849 8657 1 18 . 1 1 36 36 GLU C C 36 174.745 174.745 174.988 -0.243 19849 8658 1 18 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.957 0.234 19849 8659 1 18 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.644 1.442 19849 8660 1 18 . 1 1 36 36 GLU H H 36 8.859 8.859 8.257 0.602 19849 8661 1 18 . 1 1 37 37 VAL N N 37 120.272 120.272 127.246 -6.974 19849 8662 1 18 . 1 1 37 37 VAL HA H 37 4.612 4.612 4.961 -0.349 19849 8663 1 18 . 1 1 37 37 VAL C C 37 172.679 172.679 174.730 -2.051 19849 8664 1 18 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.883 -0.593 19849 8665 1 18 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.303 0.718 19849 8666 1 18 . 1 1 37 37 VAL H H 37 8.497 8.497 9.179 -0.682 19849 8667 1 18 . 1 1 38 38 VAL N N 38 127.971 127.971 128.338 -0.367 19849 8668 1 18 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.327 -0.070 19849 8669 1 18 . 1 1 38 38 VAL C C 38 175.842 175.842 175.087 0.755 19849 8670 1 18 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.893 -1.419 19849 8671 1 18 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.648 0.468 19849 8672 1 18 . 1 1 38 38 VAL H H 38 8.169 8.169 8.727 -0.558 19849 8673 1 18 . 1 1 39 39 SER N N 39 117.426 117.426 120.043 -2.617 19849 8674 1 18 . 1 1 39 39 SER HA H 39 4.821 4.821 4.858 -0.037 19849 8675 1 18 . 1 1 39 39 SER C C 39 175.323 175.323 174.578 0.745 19849 8676 1 18 . 1 1 39 39 SER CA C 39 55.888 55.888 56.245 -0.357 19849 8677 1 18 . 1 1 39 39 SER CB C 39 64.183 64.183 66.542 -2.359 19849 8678 1 18 . 1 1 39 39 SER H H 39 8.304 8.304 7.795 0.509 19849 8679 1 18 . 1 1 40 40 GLU N N 40 131.571 131.571 120.601 10.970 19849 8680 1 18 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.324 -0.205 19849 8681 1 18 . 1 1 40 40 GLU C C 40 177.887 177.887 177.076 0.811 19849 8682 1 18 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.247 0.434 19849 8683 1 18 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.215 0.415 19849 8684 1 18 . 1 1 40 40 GLU H H 40 9.911 9.911 9.001 0.910 19849 8685 1 18 . 1 1 41 41 GLN N N 41 117.534 117.534 117.766 -0.232 19849 8686 1 18 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.243 -0.259 19849 8687 1 18 . 1 1 41 41 GLN C C 41 176.391 176.391 175.027 1.364 19849 8688 1 18 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.559 0.884 19849 8689 1 18 . 1 1 41 41 GLN CB C 41 27.903 27.903 28.053 -0.150 19849 8690 1 18 . 1 1 41 41 GLN H H 41 8.219 8.219 7.933 0.286 19849 8691 1 18 . 1 1 42 42 PHE N N 42 113.224 113.224 116.205 -2.981 19849 8692 1 18 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.717 -0.191 19849 8693 1 18 . 1 1 42 42 PHE C C 42 175.064 175.064 174.694 0.370 19849 8694 1 18 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.821 -0.682 19849 8695 1 18 . 1 1 42 42 PHE CB C 42 37.636 37.636 39.418 -1.782 19849 8696 1 18 . 1 1 42 42 PHE H H 42 6.894 6.894 7.432 -0.538 19849 8697 1 18 . 1 1 43 43 GLU N N 43 121.136 121.136 122.282 -1.146 19849 8698 1 18 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.199 -0.232 19849 8699 1 18 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.726 1.635 19849 8700 1 18 . 1 1 43 43 GLU CB C 43 29.234 29.234 27.887 1.347 19849 8701 1 18 . 1 1 43 43 GLU H H 43 7.469 7.469 7.394 0.075 19849 8702 1 18 . 1 1 44 44 GLY N N 44 114.819 114.819 113.509 1.310 19849 8703 1 18 . 1 1 44 44 GLY C C 44 174.101 174.101 174.373 -0.272 19849 8704 1 18 . 1 1 44 44 GLY CA C 44 45.625 45.625 45.980 -0.355 19849 8705 1 18 . 1 1 44 44 GLY H H 44 9.014 9.014 8.385 0.629 19849 8706 1 18 . 1 1 45 45 LYS N N 45 118.678 118.678 119.824 -1.146 19849 8707 1 18 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.601 0.088 19849 8708 1 18 . 1 1 45 45 LYS C C 45 177.858 177.858 176.831 1.027 19849 8709 1 18 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.291 -0.730 19849 8710 1 18 . 1 1 45 45 LYS CB C 45 33.441 33.441 33.750 -0.309 19849 8711 1 18 . 1 1 45 45 LYS H H 45 7.932 7.932 7.797 0.135 19849 8712 1 18 . 1 1 46 46 ARG N N 46 125.430 125.430 120.900 4.530 19849 8713 1 18 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.417 -0.124 19849 8714 1 18 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.053 0.726 19849 8715 1 18 . 1 1 46 46 ARG H H 46 9.288 9.288 8.622 0.666 19849 8716 1 18 . 1 1 47 47 LEU N N 47 124.205 124.205 123.717 0.488 19849 8717 1 18 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.517 0.185 19849 8718 1 18 . 1 1 47 47 LEU C C 47 178.476 178.476 178.680 -0.204 19849 8719 1 18 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.224 2.465 19849 8720 1 18 . 1 1 47 47 LEU H H 47 8.320 8.320 8.781 -0.461 19849 8721 1 18 . 1 1 48 48 LEU N N 48 115.874 115.874 119.154 -3.280 19849 8722 1 18 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.108 -0.336 19849 8723 1 18 . 1 1 48 48 LEU C C 48 179.985 179.985 178.390 1.595 19849 8724 1 18 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.958 0.665 19849 8725 1 18 . 1 1 48 48 LEU H H 48 8.587 8.587 8.032 0.555 19849 8726 1 18 . 1 1 49 49 GLU N N 49 118.216 118.216 118.524 -0.308 19849 8727 1 18 . 1 1 49 49 GLU HA H 49 4.108 4.108 3.939 0.169 19849 8728 1 18 . 1 1 49 49 GLU C C 49 177.944 177.944 179.499 -1.555 19849 8729 1 18 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.458 -1.040 19849 8730 1 18 . 1 1 49 49 GLU H H 49 6.964 6.964 7.832 -0.868 19849 8731 1 18 . 1 1 50 50 ARG N N 50 119.674 119.674 119.441 0.233 19849 8732 1 18 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.234 -0.317 19849 8733 1 18 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.626 -0.551 19849 8734 1 18 . 1 1 50 50 ARG CB C 50 29.011 29.011 29.963 -0.952 19849 8735 1 18 . 1 1 50 50 ARG H H 50 7.991 7.991 8.413 -0.422 19849 8736 1 18 . 1 1 51 51 HIS N N 51 117.056 117.056 117.801 -0.745 19849 8737 1 18 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.414 -0.418 19849 8738 1 18 . 1 1 51 51 HIS C C 51 176.638 176.638 177.845 -1.207 19849 8739 1 18 . 1 1 51 51 HIS H H 51 8.294 8.294 8.130 0.164 19849 8740 1 18 . 1 1 52 52 ARG N N 52 120.626 120.626 120.077 0.549 19849 8741 1 18 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.140 0.078 19849 8742 1 18 . 1 1 52 52 ARG C C 52 179.014 179.014 177.591 1.423 19849 8743 1 18 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.966 1.026 19849 8744 1 18 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.226 -0.667 19849 8745 1 18 . 1 1 52 52 ARG H H 52 8.001 8.001 8.300 -0.299 19849 8746 1 18 . 1 1 53 53 MET N N 53 119.087 119.087 117.869 1.218 19849 8747 1 18 . 1 1 53 53 MET HA H 53 4.006 4.006 4.449 -0.443 19849 8748 1 18 . 1 1 53 53 MET C C 53 179.286 179.286 177.916 1.370 19849 8749 1 18 . 1 1 53 53 MET CA C 53 59.404 59.404 58.176 1.228 19849 8750 1 18 . 1 1 53 53 MET CB C 53 34.976 34.976 33.547 1.429 19849 8751 1 18 . 1 1 53 53 MET H H 53 8.162 8.162 7.670 0.492 19849 8752 1 18 . 1 1 54 54 VAL N N 54 120.886 120.886 120.048 0.838 19849 8753 1 18 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.739 -0.314 19849 8754 1 18 . 1 1 54 54 VAL C C 54 176.296 176.296 177.862 -1.566 19849 8755 1 18 . 1 1 54 54 VAL CA C 54 66.833 66.833 65.888 0.945 19849 8756 1 18 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.032 -0.588 19849 8757 1 18 . 1 1 54 54 VAL H H 54 7.790 7.790 8.389 -0.599 19849 8758 1 18 . 1 1 55 55 ASN N N 55 116.881 116.881 117.599 -0.718 19849 8759 1 18 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.503 -0.490 19849 8760 1 18 . 1 1 55 55 ASN C C 55 178.422 178.422 176.687 1.735 19849 8761 1 18 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.199 1.931 19849 8762 1 18 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.444 0.423 19849 8763 1 18 . 1 1 55 55 ASN H H 55 8.032 8.032 8.512 -0.480 19849 8764 1 18 . 1 1 56 56 ALA N N 56 121.164 121.164 122.658 -1.494 19849 8765 1 18 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.149 -0.066 19849 8766 1 18 . 1 1 56 56 ALA C C 56 180.700 180.700 178.744 1.956 19849 8767 1 18 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.506 0.094 19849 8768 1 18 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.230 0.032 19849 8769 1 18 . 1 1 56 56 ALA H H 56 8.578 8.578 7.749 0.829 19849 8770 1 18 . 1 1 57 57 ALA N N 57 121.156 121.156 119.528 1.628 19849 8771 1 18 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.392 -0.360 19849 8772 1 18 . 1 1 57 57 ALA C C 57 177.240 177.240 177.465 -0.225 19849 8773 1 18 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.924 0.163 19849 8774 1 18 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.270 -0.808 19849 8775 1 18 . 1 1 57 57 ALA H H 57 7.609 7.609 7.568 0.041 19849 8776 1 18 . 1 1 58 58 LEU N N 58 116.065 116.065 116.429 -0.364 19849 8777 1 18 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.934 -0.039 19849 8778 1 18 . 1 1 58 58 LEU C C 58 176.446 176.446 177.350 -0.904 19849 8779 1 18 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.770 -2.249 19849 8780 1 18 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.853 -0.100 19849 8781 1 18 . 1 1 58 58 LEU H H 58 6.995 6.995 7.497 -0.502 19849 8782 1 18 . 1 1 59 59 GLU N N 59 120.288 120.288 122.057 -1.769 19849 8783 1 18 . 1 1 59 59 GLU HA H 59 3.774 3.774 3.989 -0.215 19849 8784 1 18 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.252 0.484 19849 8785 1 18 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.554 0.453 19849 8786 1 18 . 1 1 59 59 GLU H H 59 7.034 7.034 8.243 -1.209 19849 8787 1 18 . 1 1 60 60 GLU N N 60 116.322 116.322 117.887 -1.565 19849 8788 1 18 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.119 -0.089 19849 8789 1 18 . 1 1 60 60 GLU C C 60 179.270 179.270 178.459 0.811 19849 8790 1 18 . 1 1 60 60 GLU CA C 60 58.693 58.693 58.995 -0.302 19849 8791 1 18 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.287 1.029 19849 8792 1 18 . 1 1 60 60 GLU H H 60 8.622 8.622 8.673 -0.051 19849 8793 1 18 . 1 1 61 61 GLU N N 61 121.506 121.506 120.119 1.387 19849 8794 1 18 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.114 -0.224 19849 8795 1 18 . 1 1 61 61 GLU C C 61 179.010 179.010 178.068 0.942 19849 8796 1 18 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.360 1.602 19849 8797 1 18 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.145 -0.670 19849 8798 1 18 . 1 1 61 61 GLU H H 61 8.946 8.946 8.073 0.873 19849 8799 1 18 . 1 1 62 62 MET N N 62 116.213 116.213 118.309 -2.096 19849 8800 1 18 . 1 1 62 62 MET HA H 62 4.312 4.312 4.157 0.155 19849 8801 1 18 . 1 1 62 62 MET CA C 62 56.302 56.302 58.608 -2.306 19849 8802 1 18 . 1 1 62 62 MET CB C 62 30.553 30.553 32.782 -2.229 19849 8803 1 18 . 1 1 62 62 MET H H 62 8.693 8.693 8.034 0.659 19849 8804 1 18 . 1 1 63 63 LYS N N 63 116.969 116.969 115.483 1.486 19849 8805 1 18 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.169 -0.084 19849 8806 1 18 . 1 1 63 63 LYS C C 63 177.541 177.541 178.228 -0.687 19849 8807 1 18 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.738 0.990 19849 8808 1 18 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.052 0.473 19849 8809 1 18 . 1 1 63 63 LYS H H 63 7.470 7.470 7.558 -0.088 19849 8810 1 18 . 1 1 64 64 GLU N N 64 115.556 115.556 118.084 -2.528 19849 8811 1 18 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.374 0.091 19849 8812 1 18 . 1 1 64 64 GLU C C 64 175.679 175.679 176.891 -1.212 19849 8813 1 18 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.663 -1.060 19849 8814 1 18 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.023 1.247 19849 8815 1 18 . 1 1 64 64 GLU H H 64 7.773 7.773 7.744 0.029 19849 8816 1 18 . 1 1 65 65 ILE N N 65 120.461 120.461 114.536 5.925 19849 8817 1 18 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.315 -0.236 19849 8818 1 18 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.856 1.852 19849 8819 1 18 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.823 0.259 19849 8820 1 18 . 1 1 65 65 ILE H H 65 7.502 7.502 7.762 -0.260 19849 8821 1 18 . 1 1 66 66 HIS N N 66 125.683 125.683 119.074 6.609 19849 8822 1 18 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.692 -0.147 19849 8823 1 18 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.349 2.334 19849 8824 1 18 . 1 1 66 66 HIS CB C 66 30.277 30.277 32.323 -2.046 19849 8825 1 18 . 1 1 66 66 HIS H H 66 9.196 9.196 7.955 1.241 19849 8826 1 18 . 1 1 67 67 ALA N N 67 120.229 120.229 121.422 -1.193 19849 8827 1 18 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.327 0.097 19849 8828 1 18 . 1 1 67 67 ALA C C 67 173.834 173.834 174.615 -0.781 19849 8829 1 18 . 1 1 67 67 ALA CA C 67 52.149 52.149 51.922 0.227 19849 8830 1 18 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.410 1.030 19849 8831 1 18 . 1 1 67 67 ALA H H 67 7.493 7.493 7.560 -0.067 19849 8832 1 18 . 1 1 68 68 LEU N N 68 124.546 124.546 121.835 2.711 19849 8833 1 18 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.438 -0.444 19849 8834 1 18 . 1 1 68 68 LEU C C 68 175.157 175.157 175.671 -0.514 19849 8835 1 18 . 1 1 68 68 LEU CA C 68 53.191 53.191 53.666 -0.475 19849 8836 1 18 . 1 1 68 68 LEU CB C 68 44.768 44.768 43.917 0.851 19849 8837 1 18 . 1 1 68 68 LEU H H 68 8.557 8.557 8.398 0.159 19849 8838 1 18 . 1 1 69 69 SER N N 69 122.077 122.077 121.179 0.898 19849 8839 1 18 . 1 1 69 69 SER HA H 69 4.677 4.677 4.669 0.008 19849 8840 1 18 . 1 1 69 69 SER C C 69 173.548 173.548 173.377 0.171 19849 8841 1 18 . 1 1 69 69 SER CA C 69 55.803 55.803 57.471 -1.668 19849 8842 1 18 . 1 1 69 69 SER CB C 69 63.549 63.549 63.754 -0.205 19849 8843 1 18 . 1 1 69 69 SER H H 69 8.854 8.854 9.126 -0.272 19849 8844 1 18 . 1 1 70 70 ILE N N 70 129.143 129.143 127.759 1.384 19849 8845 1 18 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.372 -0.266 19849 8846 1 18 . 1 1 70 70 ILE C C 70 175.059 175.059 175.562 -0.503 19849 8847 1 18 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.615 0.018 19849 8848 1 18 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.774 -1.347 19849 8849 1 18 . 1 1 70 70 ILE H H 70 8.922 8.922 8.527 0.395 19849 8850 1 18 . 1 1 71 71 LYS N N 71 130.019 130.019 125.985 4.034 19849 8851 1 18 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.164 -0.092 19849 8852 1 18 . 1 1 71 71 LYS C C 71 177.201 177.201 176.984 0.217 19849 8853 1 18 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.133 0.805 19849 8854 1 18 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.559 0.867 19849 8855 1 18 . 1 1 71 71 LYS H H 71 8.676 8.676 8.089 0.587 19849 8856 1 18 . 1 1 72 72 LYS N N 72 113.659 113.659 119.703 -6.044 19849 8857 1 18 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.535 -0.060 19849 8858 1 18 . 1 1 72 72 LYS C C 72 174.013 174.013 173.989 0.024 19849 8859 1 18 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.862 0.102 19849 8860 1 18 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.592 2.102 19849 8861 1 18 . 1 1 72 72 LYS H H 72 7.195 7.195 7.448 -0.253 19849 8862 1 18 . 1 1 73 73 ALA N N 73 129.019 129.019 129.382 -0.363 19849 8863 1 18 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.597 0.605 19849 8864 1 18 . 1 1 73 73 ALA C C 73 175.410 175.410 175.707 -0.297 19849 8865 1 18 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.484 0.464 19849 8866 1 18 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.059 -1.371 19849 8867 1 18 . 1 1 73 73 ALA H H 73 8.847 8.847 8.759 0.088 19849 8868 1 18 . 1 1 74 74 GLN N N 74 120.993 120.993 123.762 -2.769 19849 8869 1 18 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.716 0.130 19849 8870 1 18 . 1 1 74 74 GLN C C 74 175.603 175.603 174.578 1.025 19849 8871 1 18 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.380 0.393 19849 8872 1 18 . 1 1 74 74 GLN CB C 74 34.955 34.955 33.379 1.577 19849 8873 1 18 . 1 1 74 74 GLN H H 74 8.398 8.398 8.917 -0.519 19849 8874 1 18 . 1 1 75 75 THR N N 75 111.917 111.917 116.444 -4.527 19849 8875 1 18 . 1 1 75 75 THR HA H 75 4.866 4.866 5.123 -0.257 19849 8876 1 18 . 1 1 75 75 THR CA C 75 59.600 59.600 58.040 1.560 19849 8877 1 18 . 1 1 75 75 THR H H 75 8.920 8.920 8.611 0.309 19849 8878 1 18 . 1 1 76 76 PRO C C 76 177.659 177.659 177.106 0.553 19849 8879 1 18 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.281 1.162 19849 8880 1 18 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.561 0.315 19849 8881 1 18 . 1 1 77 77 GLN N N 77 114.329 114.329 116.879 -2.550 19849 8882 1 18 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.203 -0.137 19849 8883 1 18 . 1 1 77 77 GLN C C 77 177.630 177.630 178.344 -0.714 19849 8884 1 18 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.012 0.640 19849 8885 1 18 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.902 0.336 19849 8886 1 18 . 1 1 77 77 GLN H H 77 8.481 8.481 7.736 0.745 19849 8887 1 18 . 1 1 78 78 GLN N N 78 116.831 116.831 118.071 -1.240 19849 8888 1 18 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.292 -0.199 19849 8889 1 18 . 1 1 78 78 GLN C C 78 176.403 176.403 177.461 -1.058 19849 8890 1 18 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.879 -0.586 19849 8891 1 18 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.297 1.677 19849 8892 1 18 . 1 1 78 78 GLN H H 78 7.503 7.503 7.953 -0.450 19849 8893 1 18 . 1 1 79 79 TRP N N 79 120.561 120.561 120.241 0.320 19849 8894 1 18 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.522 -0.135 19849 8895 1 18 . 1 1 79 79 TRP C C 79 175.429 175.429 176.776 -1.347 19849 8896 1 18 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.123 -0.562 19849 8897 1 18 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.238 1.676 19849 8898 1 18 . 1 1 79 79 TRP H H 79 7.668 7.668 8.293 -0.625 19849 8899 1 18 . 1 1 80 80 LYS N N 80 120.883 120.883 118.848 2.035 19849 8900 1 18 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.230 -0.030 19849 8901 1 18 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.486 -5.448 19849 8902 1 18 . 1 1 80 80 LYS H H 80 7.768 7.768 8.143 -0.375 19849 8903 1 18 . 1 1 82 82 PRO C C 82 176.919 176.919 176.174 0.745 19849 8904 1 18 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.102 0.838 19849 8905 1 18 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.984 -0.958 19849 8906 1 18 . 1 1 83 83 SER N N 83 115.592 115.592 113.931 1.661 19849 8907 1 18 . 1 1 83 83 SER HA H 83 4.315 4.315 4.464 -0.149 19849 8908 1 18 . 1 1 83 83 SER C C 83 174.665 174.665 174.194 0.471 19849 8909 1 18 . 1 1 83 83 SER CA C 83 58.162 58.162 58.094 0.068 19849 8910 1 18 . 1 1 83 83 SER CB C 83 63.831 63.831 63.288 0.543 19849 8911 1 18 . 1 1 83 83 SER H H 83 8.264 8.264 8.427 -0.163 19849 8912 1 18 . 1 1 84 84 GLN N N 84 122.131 122.131 119.147 2.984 19849 8913 1 18 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.391 -0.102 19849 8914 1 18 . 1 1 84 84 GLN C C 84 175.598 175.598 175.658 -0.060 19849 8915 1 18 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.104 -0.253 19849 8916 1 18 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.460 0.158 19849 8917 1 18 . 1 1 84 84 GLN H H 84 8.430 8.430 8.021 0.409 19849 8918 1 18 . 1 1 85 85 ASP N N 85 121.550 121.550 121.276 0.274 19849 8919 1 18 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.522 0.012 19849 8920 1 18 . 1 1 85 85 ASP C C 85 176.431 176.431 176.981 -0.550 19849 8921 1 18 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.417 -1.993 19849 8922 1 18 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.689 0.581 19849 8923 1 18 . 1 1 85 85 ASP H H 85 8.307 8.307 8.794 -0.487 19849 8924 1 18 . 1 1 86 86 SER N N 86 116.617 116.617 114.354 2.263 19849 8925 1 18 . 1 1 86 86 SER HA H 86 4.316 4.316 4.397 -0.081 19849 8926 1 18 . 1 1 86 86 SER C C 86 174.590 174.590 176.487 -1.897 19849 8927 1 18 . 1 1 86 86 SER CA C 86 58.797 58.797 59.475 -0.678 19849 8928 1 18 . 1 1 86 86 SER CB C 86 63.667 63.667 63.188 0.479 19849 8929 1 18 . 1 1 86 86 SER H H 86 8.231 8.231 7.871 0.360 19849 8930 1 18 . 1 1 87 87 ALA N N 87 125.663 125.663 122.124 3.539 19849 8931 1 18 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.454 -0.164 19849 8932 1 18 . 1 1 87 87 ALA C C 87 178.018 178.018 178.626 -0.608 19849 8933 1 18 . 1 1 87 87 ALA CA C 87 52.952 52.952 54.161 -1.209 19849 8934 1 18 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.519 0.598 19849 8935 1 18 . 1 1 87 87 ALA H H 87 8.312 8.312 8.018 0.294 19849 8936 1 18 . 1 1 88 88 THR N N 88 112.987 112.987 114.202 -1.215 19849 8937 1 18 . 1 1 88 88 THR HA H 88 4.221 4.221 4.273 -0.052 19849 8938 1 18 . 1 1 88 88 THR C C 88 174.488 174.488 175.002 -0.514 19849 8939 1 18 . 1 1 88 88 THR CA C 88 62.115 62.115 65.698 -3.583 19849 8940 1 18 . 1 1 88 88 THR CB C 88 69.626 69.626 68.740 0.886 19849 8941 1 18 . 1 1 88 88 THR H H 88 7.997 7.997 7.542 0.455 19849 8942 1 18 . 1 1 89 89 LEU N N 89 124.655 124.655 120.998 3.657 19849 8943 1 18 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.433 -0.077 19849 8944 1 18 . 1 1 89 89 LEU C C 89 177.367 177.367 178.017 -0.650 19849 8945 1 18 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.839 -1.576 19849 8946 1 18 . 1 1 89 89 LEU CB C 89 42.492 42.492 42.007 0.485 19849 8947 1 18 . 1 1 89 89 LEU H H 89 8.119 8.119 7.727 0.392 19849 8948 1 18 . 1 1 90 90 THR N N 90 115.527 115.527 113.957 1.570 19849 8949 1 18 . 1 1 90 90 THR HA H 90 4.261 4.261 4.120 0.141 19849 8950 1 18 . 1 1 90 90 THR CA C 90 61.707 61.707 65.237 -3.530 19849 8951 1 18 . 1 1 90 90 THR CB C 90 69.825 69.825 68.815 1.010 19849 8952 1 18 . 1 1 90 90 THR H H 90 8.086 8.086 7.730 0.356 19849 8953 1 18 . 1 1 91 91 LYS N N 91 123.923 123.923 119.042 4.881 19849 8954 1 18 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.448 -0.155 19849 8955 1 18 . 1 1 91 91 LYS C C 91 175.949 175.949 175.074 0.875 19849 8956 1 18 . 1 1 91 91 LYS CA C 91 56.164 56.164 55.941 0.224 19849 8957 1 18 . 1 1 91 91 LYS CB C 91 33.259 33.259 33.304 -0.045 19849 8958 1 18 . 1 1 91 91 LYS H H 91 8.272 8.272 7.727 0.545 19849 8959 1 18 . 1 1 92 92 ASP N N 92 122.237 122.237 116.644 5.593 19849 8960 1 18 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.298 0.212 19849 8961 1 18 . 1 1 92 92 ASP C C 92 174.733 174.733 175.611 -0.878 19849 8962 1 18 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.659 -0.124 19849 8963 1 18 . 1 1 92 92 ASP CB C 92 41.111 41.111 39.173 1.938 19849 8964 1 18 . 1 1 92 92 ASP H H 92 8.340 8.340 7.922 0.418 19849 8965 1 19 . 1 1 2 2 VAL N N 2 120.462 120.462 121.892 -1.430 19849 8966 1 19 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.401 0.107 19849 8967 1 19 . 1 1 2 2 VAL C C 2 174.797 174.797 174.985 -0.188 19849 8968 1 19 . 1 1 2 2 VAL CA C 2 61.285 61.285 62.607 -1.322 19849 8969 1 19 . 1 1 2 2 VAL CB C 2 33.821 33.821 35.670 -1.849 19849 8970 1 19 . 1 1 2 2 VAL H H 2 8.729 8.729 8.362 0.367 19849 8971 1 19 . 1 1 3 3 THR N N 3 113.531 113.531 119.105 -5.574 19849 8972 1 19 . 1 1 3 3 THR HA H 3 4.794 4.794 4.670 0.124 19849 8973 1 19 . 1 1 3 3 THR C C 3 175.419 175.419 175.117 0.302 19849 8974 1 19 . 1 1 3 3 THR CA C 3 59.466 59.466 60.166 -0.700 19849 8975 1 19 . 1 1 3 3 THR H H 3 7.740 7.740 8.378 -0.638 19849 8976 1 19 . 1 1 4 4 LYS N N 4 121.981 121.981 126.926 -4.945 19849 8977 1 19 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.546 -0.109 19849 8978 1 19 . 1 1 4 4 LYS C C 4 177.186 177.186 177.628 -0.442 19849 8979 1 19 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.744 0.972 19849 8980 1 19 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.443 0.767 19849 8981 1 19 . 1 1 4 4 LYS H H 4 9.168 9.168 9.047 0.121 19849 8982 1 19 . 1 1 5 5 GLU N N 5 117.723 117.723 118.199 -0.476 19849 8983 1 19 . 1 1 5 5 GLU HA H 5 4.052 4.052 3.955 0.097 19849 8984 1 19 . 1 1 5 5 GLU C C 5 179.351 179.351 178.703 0.648 19849 8985 1 19 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.166 1.342 19849 8986 1 19 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.562 -1.168 19849 8987 1 19 . 1 1 5 5 GLU H H 5 8.835 8.835 7.840 0.995 19849 8988 1 19 . 1 1 6 6 GLN N N 6 122.133 122.133 118.121 4.012 19849 8989 1 19 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.141 -0.132 19849 8990 1 19 . 1 1 6 6 GLN C C 6 178.109 178.109 177.894 0.215 19849 8991 1 19 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.307 0.571 19849 8992 1 19 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.096 0.776 19849 8993 1 19 . 1 1 6 6 GLN H H 6 7.867 7.867 7.684 0.183 19849 8994 1 19 . 1 1 7 7 VAL N N 7 120.130 120.130 121.295 -1.165 19849 8995 1 19 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.631 -0.494 19849 8996 1 19 . 1 1 7 7 VAL C C 7 177.807 177.807 178.028 -0.221 19849 8997 1 19 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.375 0.138 19849 8998 1 19 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.833 0.408 19849 8999 1 19 . 1 1 7 7 VAL H H 7 7.447 7.447 7.272 0.175 19849 9000 1 19 . 1 1 8 8 GLU N N 8 117.342 117.342 119.930 -2.588 19849 9001 1 19 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.912 -0.342 19849 9002 1 19 . 1 1 8 8 GLU C C 8 174.166 174.166 178.471 -4.305 19849 9003 1 19 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.348 0.351 19849 9004 1 19 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.921 0.923 19849 9005 1 19 . 1 1 8 8 GLU H H 8 8.529 8.529 8.002 0.527 19849 9006 1 19 . 1 1 9 9 ALA N N 9 124.344 124.344 121.348 2.996 19849 9007 1 19 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.133 0.287 19849 9008 1 19 . 1 1 9 9 ALA C C 9 177.996 177.996 179.570 -1.574 19849 9009 1 19 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.583 0.940 19849 9010 1 19 . 1 1 9 9 ALA H H 9 8.301 8.301 7.555 0.746 19849 9011 1 19 . 1 1 10 10 SER N N 10 117.198 117.198 116.225 0.973 19849 9012 1 19 . 1 1 10 10 SER HA H 10 4.374 4.374 4.104 0.270 19849 9013 1 19 . 1 1 10 10 SER C C 10 175.219 175.219 176.238 -1.019 19849 9014 1 19 . 1 1 10 10 SER CA C 10 62.207 62.207 62.261 -0.054 19849 9015 1 19 . 1 1 10 10 SER H H 10 8.303 8.303 8.211 0.092 19849 9016 1 19 . 1 1 11 11 LEU N N 11 118.287 118.287 120.897 -2.610 19849 9017 1 19 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.171 -0.357 19849 9018 1 19 . 1 1 11 11 LEU C C 11 179.247 179.247 179.194 0.053 19849 9019 1 19 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.511 0.698 19849 9020 1 19 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.080 1.448 19849 9021 1 19 . 1 1 11 11 LEU H H 11 7.973 7.973 7.720 0.253 19849 9022 1 19 . 1 1 12 12 THR N N 12 116.416 116.416 114.904 1.512 19849 9023 1 19 . 1 1 12 12 THR HA H 12 3.530 3.530 3.995 -0.465 19849 9024 1 19 . 1 1 12 12 THR C C 12 176.464 176.464 176.332 0.132 19849 9025 1 19 . 1 1 12 12 THR CA C 12 67.016 67.016 66.815 0.201 19849 9026 1 19 . 1 1 12 12 THR CB C 12 68.586 68.586 68.335 0.251 19849 9027 1 19 . 1 1 12 12 THR H H 12 8.440 8.440 7.797 0.643 19849 9028 1 19 . 1 1 13 13 SER N N 13 115.144 115.144 116.079 -0.935 19849 9029 1 19 . 1 1 13 13 SER HA H 13 4.105 4.105 4.407 -0.302 19849 9030 1 19 . 1 1 13 13 SER C C 13 176.285 176.285 175.780 0.505 19849 9031 1 19 . 1 1 13 13 SER CA C 13 61.032 61.032 61.186 -0.154 19849 9032 1 19 . 1 1 13 13 SER CB C 13 63.045 63.045 63.501 -0.456 19849 9033 1 19 . 1 1 13 13 SER H H 13 8.022 8.022 7.511 0.511 19849 9034 1 19 . 1 1 14 14 LYS N N 14 116.028 116.028 119.434 -3.406 19849 9035 1 19 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.298 0.012 19849 9036 1 19 . 1 1 14 14 LYS C C 14 178.041 178.041 177.183 0.858 19849 9037 1 19 . 1 1 14 14 LYS CA C 14 57.842 57.842 57.522 0.320 19849 9038 1 19 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.100 0.757 19849 9039 1 19 . 1 1 14 14 LYS H H 14 7.466 7.466 7.706 -0.240 19849 9040 1 19 . 1 1 15 15 LEU N N 15 114.405 114.405 116.643 -2.238 19849 9041 1 19 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.466 -0.047 19849 9042 1 19 . 1 1 15 15 LEU CA C 15 53.924 53.924 54.731 -0.807 19849 9043 1 19 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.438 -1.077 19849 9044 1 19 . 1 1 15 15 LEU H H 15 7.842 7.842 7.805 0.037 19849 9045 1 19 . 1 1 16 16 LYS N N 16 116.513 116.513 116.337 0.176 19849 9046 1 19 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.204 -0.084 19849 9047 1 19 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.262 0.035 19849 9048 1 19 . 1 1 16 16 LYS H H 16 7.421 7.421 7.488 -0.067 19849 9049 1 19 . 1 1 17 17 PRO C C 17 177.159 177.159 175.336 1.823 19849 9050 1 19 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.528 -0.632 19849 9051 1 19 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.464 2.843 19849 9052 1 19 . 1 1 18 18 ILE N N 18 116.671 116.671 120.927 -4.256 19849 9053 1 19 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.154 0.140 19849 9054 1 19 . 1 1 18 18 ILE C C 18 175.085 175.085 176.482 -1.397 19849 9055 1 19 . 1 1 18 18 ILE CA C 18 61.027 61.027 61.918 -0.891 19849 9056 1 19 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.303 0.713 19849 9057 1 19 . 1 1 18 18 ILE H H 18 7.917 7.917 8.264 -0.347 19849 9058 1 19 . 1 1 19 19 HIS N N 19 117.574 117.574 119.877 -2.303 19849 9059 1 19 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.745 -0.303 19849 9060 1 19 . 1 1 19 19 HIS C C 19 171.727 171.727 172.679 -0.952 19849 9061 1 19 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.301 1.073 19849 9062 1 19 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.383 2.176 19849 9063 1 19 . 1 1 19 19 HIS H H 19 6.968 6.968 7.765 -0.797 19849 9064 1 19 . 1 1 20 20 LEU N N 20 128.803 128.803 126.569 2.234 19849 9065 1 19 . 1 1 20 20 LEU HA H 20 4.806 4.806 4.859 -0.053 19849 9066 1 19 . 1 1 20 20 LEU C C 20 173.636 173.636 175.820 -2.184 19849 9067 1 19 . 1 1 20 20 LEU CA C 20 53.424 53.424 54.031 -0.607 19849 9068 1 19 . 1 1 20 20 LEU CB C 20 45.564 45.564 43.903 1.661 19849 9069 1 19 . 1 1 20 20 LEU H H 20 7.928 7.928 8.301 -0.373 19849 9070 1 19 . 1 1 21 21 GLU N N 21 125.639 125.639 124.638 1.001 19849 9071 1 19 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.565 -0.055 19849 9072 1 19 . 1 1 21 21 GLU C C 21 174.143 174.143 174.743 -0.600 19849 9073 1 19 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.161 0.548 19849 9074 1 19 . 1 1 21 21 GLU CB C 21 33.593 33.593 32.194 1.399 19849 9075 1 19 . 1 1 21 21 GLU H H 21 8.703 8.703 8.277 0.426 19849 9076 1 19 . 1 1 22 22 VAL N N 22 126.675 126.675 123.281 3.394 19849 9077 1 19 . 1 1 22 22 VAL HA H 22 4.617 4.617 5.013 -0.396 19849 9078 1 19 . 1 1 22 22 VAL C C 22 173.843 173.843 175.635 -1.792 19849 9079 1 19 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.935 0.424 19849 9080 1 19 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.967 0.704 19849 9081 1 19 . 1 1 22 22 VAL H H 22 8.936 8.936 8.428 0.508 19849 9082 1 19 . 1 1 23 23 ILE N N 23 126.078 126.078 126.252 -0.174 19849 9083 1 19 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.435 0.038 19849 9084 1 19 . 1 1 23 23 ILE C C 23 175.007 175.007 175.115 -0.108 19849 9085 1 19 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.678 -0.232 19849 9086 1 19 . 1 1 23 23 ILE CB C 23 41.237 41.237 41.401 -0.164 19849 9087 1 19 . 1 1 23 23 ILE H H 23 9.099 9.099 8.474 0.625 19849 9088 1 19 . 1 1 24 24 ASP N N 24 127.026 127.026 128.148 -1.122 19849 9089 1 19 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.721 -0.111 19849 9090 1 19 . 1 1 24 24 ASP C C 24 176.888 176.888 176.912 -0.024 19849 9091 1 19 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.641 -1.777 19849 9092 1 19 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.316 -0.283 19849 9093 1 19 . 1 1 24 24 ASP H H 24 9.152 9.152 9.008 0.144 19849 9094 1 19 . 1 1 25 25 ILE N N 25 123.148 123.148 121.475 1.673 19849 9095 1 19 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.502 0.090 19849 9096 1 19 . 1 1 25 25 ILE C C 25 175.765 175.765 176.341 -0.576 19849 9097 1 19 . 1 1 25 25 ILE CA C 25 61.112 61.112 60.712 0.400 19849 9098 1 19 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.176 -1.263 19849 9099 1 19 . 1 1 25 25 ILE H H 25 7.915 7.915 7.968 -0.053 19849 9100 1 19 . 1 1 26 26 SER N N 26 119.373 119.373 116.928 2.445 19849 9101 1 19 . 1 1 26 26 SER HA H 26 4.520 4.520 4.480 0.040 19849 9102 1 19 . 1 1 26 26 SER C C 26 175.488 175.488 175.897 -0.409 19849 9103 1 19 . 1 1 26 26 SER CA C 26 58.030 58.030 59.031 -1.001 19849 9104 1 19 . 1 1 26 26 SER CB C 26 64.605 64.605 65.129 -0.524 19849 9105 1 19 . 1 1 26 26 SER H H 26 9.175 9.175 8.847 0.328 19849 9106 1 19 . 1 1 27 27 GLY N N 27 111.902 111.902 111.087 0.815 19849 9107 1 19 . 1 1 27 27 GLY C C 27 175.418 175.418 175.566 -0.148 19849 9108 1 19 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.453 0.982 19849 9109 1 19 . 1 1 27 27 GLY H H 27 8.417 8.417 8.563 -0.146 19849 9110 1 19 . 1 1 28 28 GLY N N 28 106.936 106.936 109.881 -2.945 19849 9111 1 19 . 1 1 28 28 GLY C C 28 177.627 177.627 175.313 2.314 19849 9112 1 19 . 1 1 28 28 GLY CA C 28 45.628 45.628 43.860 1.768 19849 9113 1 19 . 1 1 28 28 GLY H H 28 7.864 7.864 8.386 -0.522 19849 9114 1 19 . 1 1 29 29 CYS N N 29 116.829 116.829 121.547 -4.718 19849 9115 1 19 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.220 0.143 19849 9116 1 19 . 1 1 29 29 CYS CA C 29 59.440 59.440 60.750 -1.310 19849 9117 1 19 . 1 1 29 29 CYS CB C 29 27.858 27.858 26.966 0.892 19849 9118 1 19 . 1 1 29 29 CYS H H 29 7.380 7.380 7.914 -0.534 19849 9119 1 19 . 1 1 30 30 GLY N N 30 111.626 111.626 106.710 4.916 19849 9120 1 19 . 1 1 30 30 GLY C C 30 173.383 173.383 173.611 -0.228 19849 9121 1 19 . 1 1 30 30 GLY CA C 30 46.086 46.086 45.305 0.781 19849 9122 1 19 . 1 1 30 30 GLY H H 30 8.965 8.965 8.688 0.277 19849 9123 1 19 . 1 1 31 31 SER N N 31 111.735 111.735 114.604 -2.869 19849 9124 1 19 . 1 1 31 31 SER HA H 31 4.639 4.639 4.616 0.023 19849 9125 1 19 . 1 1 31 31 SER C C 31 174.246 174.246 173.479 0.767 19849 9126 1 19 . 1 1 31 31 SER CA C 31 58.203 58.203 55.634 2.569 19849 9127 1 19 . 1 1 31 31 SER CB C 31 64.459 64.459 64.302 0.157 19849 9128 1 19 . 1 1 31 31 SER H H 31 8.220 8.220 7.549 0.671 19849 9129 1 19 . 1 1 32 32 SER N N 32 116.259 116.259 115.911 0.348 19849 9130 1 19 . 1 1 32 32 SER HA H 32 5.346 5.346 4.251 1.095 19849 9131 1 19 . 1 1 32 32 SER C C 32 176.363 176.363 173.786 2.577 19849 9132 1 19 . 1 1 32 32 SER CA C 32 57.400 57.400 59.236 -1.836 19849 9133 1 19 . 1 1 32 32 SER CB C 32 62.866 62.866 62.598 0.268 19849 9134 1 19 . 1 1 32 32 SER H H 32 7.253 7.253 8.464 -1.211 19849 9135 1 19 . 1 1 33 33 PHE N N 33 118.533 118.533 124.143 -5.610 19849 9136 1 19 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.768 0.888 19849 9137 1 19 . 1 1 33 33 PHE C C 33 174.163 174.163 175.244 -1.081 19849 9138 1 19 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.650 -0.268 19849 9139 1 19 . 1 1 33 33 PHE CB C 33 44.450 44.450 42.129 2.321 19849 9140 1 19 . 1 1 33 33 PHE H H 33 7.995 7.995 8.941 -0.946 19849 9141 1 19 . 1 1 34 34 GLU N N 34 122.301 122.301 122.283 0.018 19849 9142 1 19 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.929 0.631 19849 9143 1 19 . 1 1 34 34 GLU C C 34 175.902 175.902 175.864 0.038 19849 9144 1 19 . 1 1 34 34 GLU CA C 34 54.376 54.376 54.933 -0.557 19849 9145 1 19 . 1 1 34 34 GLU CB C 34 33.543 33.543 30.466 3.077 19849 9146 1 19 . 1 1 34 34 GLU H H 34 9.436 9.436 8.568 0.868 19849 9147 1 19 . 1 1 35 35 VAL N N 35 118.350 118.350 127.429 -9.079 19849 9148 1 19 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.395 0.974 19849 9149 1 19 . 1 1 35 35 VAL C C 35 174.616 174.616 174.245 0.371 19849 9150 1 19 . 1 1 35 35 VAL CA C 35 59.364 59.364 60.637 -1.273 19849 9151 1 19 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.390 1.788 19849 9152 1 19 . 1 1 35 35 VAL H H 35 8.784 8.784 8.358 0.426 19849 9153 1 19 . 1 1 36 36 GLU N N 36 123.537 123.537 128.205 -4.668 19849 9154 1 19 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.724 0.245 19849 9155 1 19 . 1 1 36 36 GLU C C 36 174.745 174.745 175.655 -0.910 19849 9156 1 19 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.039 0.152 19849 9157 1 19 . 1 1 36 36 GLU CB C 36 33.086 33.086 30.738 2.348 19849 9158 1 19 . 1 1 36 36 GLU H H 36 8.859 8.859 8.552 0.307 19849 9159 1 19 . 1 1 37 37 VAL N N 37 120.272 120.272 119.973 0.299 19849 9160 1 19 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.623 -1.011 19849 9161 1 19 . 1 1 37 37 VAL C C 37 172.679 172.679 174.939 -2.260 19849 9162 1 19 . 1 1 37 37 VAL CA C 37 60.290 60.290 59.104 1.186 19849 9163 1 19 . 1 1 37 37 VAL CB C 37 35.021 35.021 35.063 -0.042 19849 9164 1 19 . 1 1 37 37 VAL H H 37 8.497 8.497 9.027 -0.530 19849 9165 1 19 . 1 1 38 38 VAL N N 38 127.971 127.971 122.689 5.282 19849 9166 1 19 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.309 -0.052 19849 9167 1 19 . 1 1 38 38 VAL C C 38 175.842 175.842 174.668 1.174 19849 9168 1 19 . 1 1 38 38 VAL CA C 38 59.474 59.474 61.444 -1.970 19849 9169 1 19 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.968 0.147 19849 9170 1 19 . 1 1 38 38 VAL H H 38 8.169 8.169 8.215 -0.046 19849 9171 1 19 . 1 1 39 39 SER N N 39 117.426 117.426 119.471 -2.045 19849 9172 1 19 . 1 1 39 39 SER HA H 39 4.821 4.821 4.754 0.067 19849 9173 1 19 . 1 1 39 39 SER C C 39 175.323 175.323 174.542 0.781 19849 9174 1 19 . 1 1 39 39 SER CA C 39 55.888 55.888 55.496 0.392 19849 9175 1 19 . 1 1 39 39 SER CB C 39 64.183 64.183 65.439 -1.256 19849 9176 1 19 . 1 1 39 39 SER H H 39 8.304 8.304 7.915 0.389 19849 9177 1 19 . 1 1 40 40 GLU N N 40 131.571 131.571 123.289 8.282 19849 9178 1 19 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.057 0.062 19849 9179 1 19 . 1 1 40 40 GLU C C 40 177.887 177.887 177.120 0.767 19849 9180 1 19 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.551 0.130 19849 9181 1 19 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.105 0.525 19849 9182 1 19 . 1 1 40 40 GLU H H 40 9.911 9.911 9.017 0.894 19849 9183 1 19 . 1 1 41 41 GLN N N 41 117.534 117.534 117.399 0.135 19849 9184 1 19 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.159 -0.175 19849 9185 1 19 . 1 1 41 41 GLN C C 41 176.391 176.391 175.205 1.186 19849 9186 1 19 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.953 0.490 19849 9187 1 19 . 1 1 41 41 GLN CB C 41 27.903 27.903 28.040 -0.137 19849 9188 1 19 . 1 1 41 41 GLN H H 41 8.219 8.219 7.904 0.315 19849 9189 1 19 . 1 1 42 42 PHE N N 42 113.224 113.224 115.654 -2.430 19849 9190 1 19 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.733 -0.207 19849 9191 1 19 . 1 1 42 42 PHE C C 42 175.064 175.064 174.496 0.568 19849 9192 1 19 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.524 -0.385 19849 9193 1 19 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.843 -1.207 19849 9194 1 19 . 1 1 42 42 PHE H H 42 6.894 6.894 7.631 -0.737 19849 9195 1 19 . 1 1 43 43 GLU N N 43 121.136 121.136 121.435 -0.299 19849 9196 1 19 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.365 -0.398 19849 9197 1 19 . 1 1 43 43 GLU CA C 43 58.361 58.361 55.692 2.669 19849 9198 1 19 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.944 0.290 19849 9199 1 19 . 1 1 43 43 GLU H H 43 7.469 7.469 7.492 -0.023 19849 9200 1 19 . 1 1 44 44 GLY N N 44 114.819 114.819 116.928 -2.109 19849 9201 1 19 . 1 1 44 44 GLY C C 44 174.101 174.101 174.511 -0.410 19849 9202 1 19 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.175 -0.550 19849 9203 1 19 . 1 1 44 44 GLY H H 44 9.014 9.014 8.424 0.590 19849 9204 1 19 . 1 1 45 45 LYS N N 45 118.678 118.678 120.285 -1.607 19849 9205 1 19 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.597 0.092 19849 9206 1 19 . 1 1 45 45 LYS C C 45 177.858 177.858 175.909 1.949 19849 9207 1 19 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.534 -0.973 19849 9208 1 19 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.078 -0.637 19849 9209 1 19 . 1 1 45 45 LYS H H 45 7.932 7.932 7.488 0.444 19849 9210 1 19 . 1 1 46 46 ARG N N 46 125.430 125.430 121.313 4.117 19849 9211 1 19 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.520 -0.227 19849 9212 1 19 . 1 1 46 46 ARG CA C 46 55.779 55.779 54.317 1.462 19849 9213 1 19 . 1 1 46 46 ARG H H 46 9.288 9.288 8.578 0.710 19849 9214 1 19 . 1 1 47 47 LEU N N 47 124.205 124.205 124.726 -0.521 19849 9215 1 19 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.535 0.167 19849 9216 1 19 . 1 1 47 47 LEU C C 47 178.476 178.476 178.256 0.220 19849 9217 1 19 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.525 2.164 19849 9218 1 19 . 1 1 47 47 LEU H H 47 8.320 8.320 8.982 -0.662 19849 9219 1 19 . 1 1 48 48 LEU N N 48 115.874 115.874 117.917 -2.043 19849 9220 1 19 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.146 -0.374 19849 9221 1 19 . 1 1 48 48 LEU C C 48 179.985 179.985 179.538 0.447 19849 9222 1 19 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.544 1.079 19849 9223 1 19 . 1 1 48 48 LEU H H 48 8.587 8.587 7.991 0.596 19849 9224 1 19 . 1 1 49 49 GLU N N 49 118.216 118.216 118.523 -0.307 19849 9225 1 19 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.048 0.060 19849 9226 1 19 . 1 1 49 49 GLU C C 49 177.944 177.944 179.550 -1.606 19849 9227 1 19 . 1 1 49 49 GLU CA C 49 58.418 58.418 58.987 -0.569 19849 9228 1 19 . 1 1 49 49 GLU H H 49 6.964 6.964 7.993 -1.029 19849 9229 1 19 . 1 1 50 50 ARG N N 50 119.674 119.674 119.805 -0.131 19849 9230 1 19 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.264 -0.347 19849 9231 1 19 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.634 -0.560 19849 9232 1 19 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.093 -1.082 19849 9233 1 19 . 1 1 50 50 ARG H H 50 7.991 7.991 8.233 -0.242 19849 9234 1 19 . 1 1 51 51 HIS N N 51 117.056 117.056 117.905 -0.849 19849 9235 1 19 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.362 -0.366 19849 9236 1 19 . 1 1 51 51 HIS C C 51 176.638 176.638 177.770 -1.132 19849 9237 1 19 . 1 1 51 51 HIS H H 51 8.294 8.294 8.239 0.055 19849 9238 1 19 . 1 1 52 52 ARG N N 52 120.626 120.626 119.074 1.552 19849 9239 1 19 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.175 0.043 19849 9240 1 19 . 1 1 52 52 ARG C C 52 179.014 179.014 177.254 1.760 19849 9241 1 19 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.646 1.346 19849 9242 1 19 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.264 -0.705 19849 9243 1 19 . 1 1 52 52 ARG H H 52 8.001 8.001 8.122 -0.121 19849 9244 1 19 . 1 1 53 53 MET N N 53 119.087 119.087 118.014 1.073 19849 9245 1 19 . 1 1 53 53 MET HA H 53 4.006 4.006 4.430 -0.424 19849 9246 1 19 . 1 1 53 53 MET C C 53 179.286 179.286 177.648 1.638 19849 9247 1 19 . 1 1 53 53 MET CA C 53 59.404 59.404 58.004 1.400 19849 9248 1 19 . 1 1 53 53 MET CB C 53 34.976 34.976 33.704 1.272 19849 9249 1 19 . 1 1 53 53 MET H H 53 8.162 8.162 7.502 0.660 19849 9250 1 19 . 1 1 54 54 VAL N N 54 120.886 120.886 120.248 0.638 19849 9251 1 19 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.655 -0.230 19849 9252 1 19 . 1 1 54 54 VAL C C 54 176.296 176.296 177.739 -1.443 19849 9253 1 19 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.377 0.456 19849 9254 1 19 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.191 -0.747 19849 9255 1 19 . 1 1 54 54 VAL H H 54 7.790 7.790 8.113 -0.323 19849 9256 1 19 . 1 1 55 55 ASN N N 55 116.881 116.881 118.123 -1.242 19849 9257 1 19 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.600 -0.587 19849 9258 1 19 . 1 1 55 55 ASN C C 55 178.422 178.422 176.821 1.601 19849 9259 1 19 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.227 1.902 19849 9260 1 19 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.401 0.466 19849 9261 1 19 . 1 1 55 55 ASN H H 55 8.032 8.032 8.455 -0.423 19849 9262 1 19 . 1 1 56 56 ALA N N 56 121.164 121.164 121.926 -0.762 19849 9263 1 19 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.098 -0.015 19849 9264 1 19 . 1 1 56 56 ALA C C 56 180.700 180.700 178.413 2.287 19849 9265 1 19 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.588 0.012 19849 9266 1 19 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.350 -0.088 19849 9267 1 19 . 1 1 56 56 ALA H H 56 8.578 8.578 7.640 0.938 19849 9268 1 19 . 1 1 57 57 ALA N N 57 121.156 121.156 118.867 2.289 19849 9269 1 19 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.414 -0.382 19849 9270 1 19 . 1 1 57 57 ALA C C 57 177.240 177.240 176.871 0.369 19849 9271 1 19 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.722 0.365 19849 9272 1 19 . 1 1 57 57 ALA CB C 57 18.462 18.462 18.988 -0.526 19849 9273 1 19 . 1 1 57 57 ALA H H 57 7.609 7.609 7.509 0.100 19849 9274 1 19 . 1 1 58 58 LEU N N 58 116.065 116.065 115.016 1.049 19849 9275 1 19 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.583 0.312 19849 9276 1 19 . 1 1 58 58 LEU C C 58 176.446 176.446 177.355 -0.909 19849 9277 1 19 . 1 1 58 58 LEU CA C 58 52.521 52.521 55.281 -2.760 19849 9278 1 19 . 1 1 58 58 LEU CB C 58 42.753 42.753 43.398 -0.645 19849 9279 1 19 . 1 1 58 58 LEU H H 58 6.995 6.995 7.696 -0.701 19849 9280 1 19 . 1 1 59 59 GLU N N 59 120.288 120.288 121.755 -1.467 19849 9281 1 19 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.082 -0.308 19849 9282 1 19 . 1 1 59 59 GLU CA C 59 60.736 60.736 59.457 1.279 19849 9283 1 19 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.062 0.945 19849 9284 1 19 . 1 1 59 59 GLU H H 59 7.034 7.034 8.266 -1.232 19849 9285 1 19 . 1 1 60 60 GLU N N 60 116.322 116.322 118.153 -1.831 19849 9286 1 19 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.114 -0.084 19849 9287 1 19 . 1 1 60 60 GLU C C 60 179.270 179.270 178.394 0.876 19849 9288 1 19 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.047 -0.354 19849 9289 1 19 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.565 0.751 19849 9290 1 19 . 1 1 60 60 GLU H H 60 8.622 8.622 8.590 0.032 19849 9291 1 19 . 1 1 61 61 GLU N N 61 121.506 121.506 119.406 2.100 19849 9292 1 19 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.107 -0.217 19849 9293 1 19 . 1 1 61 61 GLU C C 61 179.010 179.010 178.666 0.344 19849 9294 1 19 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.363 1.599 19849 9295 1 19 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.060 -0.585 19849 9296 1 19 . 1 1 61 61 GLU H H 61 8.946 8.946 8.277 0.669 19849 9297 1 19 . 1 1 62 62 MET N N 62 116.213 116.213 116.985 -0.772 19849 9298 1 19 . 1 1 62 62 MET HA H 62 4.312 4.312 4.158 0.154 19849 9299 1 19 . 1 1 62 62 MET CA C 62 56.302 56.302 58.669 -2.367 19849 9300 1 19 . 1 1 62 62 MET CB C 62 30.553 30.553 32.690 -2.137 19849 9301 1 19 . 1 1 62 62 MET H H 62 8.693 8.693 8.064 0.629 19849 9302 1 19 . 1 1 63 63 LYS N N 63 116.969 116.969 115.880 1.089 19849 9303 1 19 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.120 -0.035 19849 9304 1 19 . 1 1 63 63 LYS C C 63 177.541 177.541 177.877 -0.336 19849 9305 1 19 . 1 1 63 63 LYS CA C 63 58.728 58.728 58.138 0.590 19849 9306 1 19 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.393 0.132 19849 9307 1 19 . 1 1 63 63 LYS H H 63 7.470 7.470 7.505 -0.035 19849 9308 1 19 . 1 1 64 64 GLU N N 64 115.556 115.556 117.920 -2.364 19849 9309 1 19 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.388 0.077 19849 9310 1 19 . 1 1 64 64 GLU C C 64 175.679 175.679 176.888 -1.209 19849 9311 1 19 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.866 -1.263 19849 9312 1 19 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.618 0.652 19849 9313 1 19 . 1 1 64 64 GLU H H 64 7.773 7.773 7.774 -0.001 19849 9314 1 19 . 1 1 65 65 ILE N N 65 120.461 120.461 114.347 6.114 19849 9315 1 19 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.721 -0.642 19849 9316 1 19 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.876 1.833 19849 9317 1 19 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.907 0.174 19849 9318 1 19 . 1 1 65 65 ILE H H 65 7.502 7.502 7.733 -0.231 19849 9319 1 19 . 1 1 66 66 HIS N N 66 125.683 125.683 119.994 5.689 19849 9320 1 19 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.470 0.075 19849 9321 1 19 . 1 1 66 66 HIS CA C 66 57.683 57.683 57.248 0.435 19849 9322 1 19 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.449 -1.172 19849 9323 1 19 . 1 1 66 66 HIS H H 66 9.196 9.196 8.082 1.114 19849 9324 1 19 . 1 1 67 67 ALA N N 67 120.229 120.229 117.976 2.253 19849 9325 1 19 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.407 0.017 19849 9326 1 19 . 1 1 67 67 ALA C C 67 173.834 173.834 174.751 -0.917 19849 9327 1 19 . 1 1 67 67 ALA CA C 67 52.149 52.149 51.654 0.495 19849 9328 1 19 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.617 0.824 19849 9329 1 19 . 1 1 67 67 ALA H H 67 7.493 7.493 7.936 -0.443 19849 9330 1 19 . 1 1 68 68 LEU N N 68 124.546 124.546 122.728 1.818 19849 9331 1 19 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.500 -0.506 19849 9332 1 19 . 1 1 68 68 LEU C C 68 175.157 175.157 176.182 -1.025 19849 9333 1 19 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.142 -0.951 19849 9334 1 19 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.741 0.027 19849 9335 1 19 . 1 1 68 68 LEU H H 68 8.557 8.557 8.532 0.025 19849 9336 1 19 . 1 1 69 69 SER N N 69 122.077 122.077 122.269 -0.192 19849 9337 1 19 . 1 1 69 69 SER HA H 69 4.677 4.677 4.641 0.036 19849 9338 1 19 . 1 1 69 69 SER C C 69 173.548 173.548 173.592 -0.044 19849 9339 1 19 . 1 1 69 69 SER CA C 69 55.803 55.803 57.600 -1.797 19849 9340 1 19 . 1 1 69 69 SER CB C 69 63.549 63.549 63.951 -0.402 19849 9341 1 19 . 1 1 69 69 SER H H 69 8.854 8.854 8.889 -0.035 19849 9342 1 19 . 1 1 70 70 ILE N N 70 129.143 129.143 128.900 0.243 19849 9343 1 19 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.406 -0.300 19849 9344 1 19 . 1 1 70 70 ILE C C 70 175.059 175.059 175.424 -0.365 19849 9345 1 19 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.562 0.071 19849 9346 1 19 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.694 -1.267 19849 9347 1 19 . 1 1 70 70 ILE H H 70 8.922 8.922 8.777 0.145 19849 9348 1 19 . 1 1 71 71 LYS N N 71 130.019 130.019 126.953 3.066 19849 9349 1 19 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.084 -0.012 19849 9350 1 19 . 1 1 71 71 LYS C C 71 177.201 177.201 177.127 0.074 19849 9351 1 19 . 1 1 71 71 LYS CA C 71 57.938 57.938 58.317 -0.379 19849 9352 1 19 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.741 0.685 19849 9353 1 19 . 1 1 71 71 LYS H H 71 8.676 8.676 8.183 0.493 19849 9354 1 19 . 1 1 72 72 LYS N N 72 113.659 113.659 119.583 -5.924 19849 9355 1 19 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.531 -0.056 19849 9356 1 19 . 1 1 72 72 LYS C C 72 174.013 174.013 174.154 -0.141 19849 9357 1 19 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.381 0.583 19849 9358 1 19 . 1 1 72 72 LYS CB C 72 37.694 37.694 34.757 2.937 19849 9359 1 19 . 1 1 72 72 LYS H H 72 7.195 7.195 7.477 -0.282 19849 9360 1 19 . 1 1 73 73 ALA N N 73 129.019 129.019 128.847 0.172 19849 9361 1 19 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.587 0.615 19849 9362 1 19 . 1 1 73 73 ALA C C 73 175.410 175.410 175.377 0.033 19849 9363 1 19 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.567 0.381 19849 9364 1 19 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.377 -1.689 19849 9365 1 19 . 1 1 73 73 ALA H H 73 8.847 8.847 8.835 0.012 19849 9366 1 19 . 1 1 74 74 GLN N N 74 120.993 120.993 123.131 -2.138 19849 9367 1 19 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.764 0.082 19849 9368 1 19 . 1 1 74 74 GLN C C 74 175.603 175.603 174.285 1.318 19849 9369 1 19 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.293 0.480 19849 9370 1 19 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.130 0.826 19849 9371 1 19 . 1 1 74 74 GLN H H 74 8.398 8.398 8.130 0.268 19849 9372 1 19 . 1 1 75 75 THR N N 75 111.917 111.917 113.127 -1.210 19849 9373 1 19 . 1 1 75 75 THR HA H 75 4.866 4.866 4.906 -0.040 19849 9374 1 19 . 1 1 75 75 THR CA C 75 59.600 59.600 58.310 1.290 19849 9375 1 19 . 1 1 75 75 THR H H 75 8.920 8.920 8.484 0.436 19849 9376 1 19 . 1 1 76 76 PRO C C 76 177.659 177.659 176.971 0.688 19849 9377 1 19 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.503 0.940 19849 9378 1 19 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.441 0.435 19849 9379 1 19 . 1 1 77 77 GLN N N 77 114.329 114.329 115.229 -0.900 19849 9380 1 19 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.203 -0.137 19849 9381 1 19 . 1 1 77 77 GLN C C 77 177.630 177.630 177.552 0.078 19849 9382 1 19 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.188 0.464 19849 9383 1 19 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.510 0.728 19849 9384 1 19 . 1 1 77 77 GLN H H 77 8.481 8.481 8.544 -0.063 19849 9385 1 19 . 1 1 78 78 GLN N N 78 116.831 116.831 117.794 -0.963 19849 9386 1 19 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.307 -0.214 19849 9387 1 19 . 1 1 78 78 GLN C C 78 176.403 176.403 177.613 -1.210 19849 9388 1 19 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.732 -0.439 19849 9389 1 19 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.246 1.728 19849 9390 1 19 . 1 1 78 78 GLN H H 78 7.503 7.503 7.873 -0.370 19849 9391 1 19 . 1 1 79 79 TRP N N 79 120.561 120.561 121.022 -0.461 19849 9392 1 19 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.492 -0.105 19849 9393 1 19 . 1 1 79 79 TRP C C 79 175.429 175.429 176.649 -1.220 19849 9394 1 19 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.175 -0.614 19849 9395 1 19 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.552 1.362 19849 9396 1 19 . 1 1 79 79 TRP H H 79 7.668 7.668 8.527 -0.859 19849 9397 1 19 . 1 1 80 80 LYS N N 80 120.883 120.883 118.165 2.718 19849 9398 1 19 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.239 -0.039 19849 9399 1 19 . 1 1 80 80 LYS CA C 80 53.038 53.038 58.008 -4.970 19849 9400 1 19 . 1 1 80 80 LYS H H 80 7.768 7.768 8.110 -0.342 19849 9401 1 19 . 1 1 82 82 PRO C C 82 176.919 176.919 175.966 0.953 19849 9402 1 19 . 1 1 82 82 PRO CA C 82 62.940 62.940 62.517 0.423 19849 9403 1 19 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.583 -0.557 19849 9404 1 19 . 1 1 83 83 SER N N 83 115.592 115.592 118.299 -2.707 19849 9405 1 19 . 1 1 83 83 SER HA H 83 4.315 4.315 4.526 -0.211 19849 9406 1 19 . 1 1 83 83 SER C C 83 174.665 174.665 173.943 0.722 19849 9407 1 19 . 1 1 83 83 SER CA C 83 58.162 58.162 58.661 -0.499 19849 9408 1 19 . 1 1 83 83 SER CB C 83 63.831 63.831 63.565 0.266 19849 9409 1 19 . 1 1 83 83 SER H H 83 8.264 8.264 8.451 -0.187 19849 9410 1 19 . 1 1 84 84 GLN N N 84 122.131 122.131 118.757 3.374 19849 9411 1 19 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.547 -0.258 19849 9412 1 19 . 1 1 84 84 GLN C C 84 175.598 175.598 176.015 -0.417 19849 9413 1 19 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.483 -0.632 19849 9414 1 19 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.274 0.345 19849 9415 1 19 . 1 1 84 84 GLN H H 84 8.430 8.430 8.000 0.430 19849 9416 1 19 . 1 1 85 85 ASP N N 85 121.550 121.550 118.561 2.989 19849 9417 1 19 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.723 -0.189 19849 9418 1 19 . 1 1 85 85 ASP C C 85 176.431 176.431 177.378 -0.947 19849 9419 1 19 . 1 1 85 85 ASP CA C 85 54.424 54.424 56.275 -1.851 19849 9420 1 19 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.281 0.989 19849 9421 1 19 . 1 1 85 85 ASP H H 85 8.307 8.307 8.463 -0.156 19849 9422 1 19 . 1 1 86 86 SER N N 86 116.617 116.617 114.402 2.215 19849 9423 1 19 . 1 1 86 86 SER HA H 86 4.316 4.316 4.410 -0.094 19849 9424 1 19 . 1 1 86 86 SER C C 86 174.590 174.590 174.533 0.057 19849 9425 1 19 . 1 1 86 86 SER CA C 86 58.797 58.797 59.040 -0.243 19849 9426 1 19 . 1 1 86 86 SER CB C 86 63.667 63.667 63.220 0.447 19849 9427 1 19 . 1 1 86 86 SER H H 86 8.231 8.231 7.919 0.312 19849 9428 1 19 . 1 1 87 87 ALA N N 87 125.663 125.663 123.013 2.650 19849 9429 1 19 . 1 1 87 87 ALA HA H 87 4.290 4.290 5.049 -0.759 19849 9430 1 19 . 1 1 87 87 ALA C C 87 178.018 178.018 178.347 -0.329 19849 9431 1 19 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.614 0.338 19849 9432 1 19 . 1 1 87 87 ALA CB C 87 19.117 19.117 19.387 -0.270 19849 9433 1 19 . 1 1 87 87 ALA H H 87 8.312 8.312 7.540 0.772 19849 9434 1 19 . 1 1 88 88 THR N N 88 112.987 112.987 115.194 -2.207 19849 9435 1 19 . 1 1 88 88 THR HA H 88 4.221 4.221 4.188 0.033 19849 9436 1 19 . 1 1 88 88 THR C C 88 174.488 174.488 175.055 -0.567 19849 9437 1 19 . 1 1 88 88 THR CA C 88 62.115 62.115 65.729 -3.614 19849 9438 1 19 . 1 1 88 88 THR CB C 88 69.626 69.626 68.578 1.048 19849 9439 1 19 . 1 1 88 88 THR H H 88 7.997 7.997 7.927 0.070 19849 9440 1 19 . 1 1 89 89 LEU N N 89 124.655 124.655 112.919 11.736 19849 9441 1 19 . 1 1 89 89 LEU HA H 89 4.356 4.356 5.389 -1.033 19849 9442 1 19 . 1 1 89 89 LEU C C 89 177.367 177.367 176.345 1.022 19849 9443 1 19 . 1 1 89 89 LEU CA C 89 55.263 55.263 54.730 0.533 19849 9444 1 19 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.013 -0.521 19849 9445 1 19 . 1 1 89 89 LEU H H 89 8.119 8.119 7.581 0.538 19849 9446 1 19 . 1 1 90 90 THR N N 90 115.527 115.527 110.419 5.108 19849 9447 1 19 . 1 1 90 90 THR HA H 90 4.261 4.261 4.487 -0.226 19849 9448 1 19 . 1 1 90 90 THR CA C 90 61.707 61.707 62.876 -1.169 19849 9449 1 19 . 1 1 90 90 THR CB C 90 69.825 69.825 70.291 -0.466 19849 9450 1 19 . 1 1 90 90 THR H H 90 8.086 8.086 7.639 0.447 19849 9451 1 19 . 1 1 91 91 LYS N N 91 123.923 123.923 119.477 4.446 19849 9452 1 19 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.463 -0.170 19849 9453 1 19 . 1 1 91 91 LYS C C 91 175.949 175.949 177.188 -1.239 19849 9454 1 19 . 1 1 91 91 LYS CA C 91 56.164 56.164 57.221 -1.057 19849 9455 1 19 . 1 1 91 91 LYS CB C 91 33.259 33.259 34.931 -1.672 19849 9456 1 19 . 1 1 91 91 LYS H H 91 8.272 8.272 7.915 0.357 19849 9457 1 19 . 1 1 92 92 ASP N N 92 122.237 122.237 119.724 2.513 19849 9458 1 19 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.606 -0.096 19849 9459 1 19 . 1 1 92 92 ASP C C 92 174.733 174.733 175.895 -1.162 19849 9460 1 19 . 1 1 92 92 ASP CA C 92 54.535 54.535 55.397 -0.862 19849 9461 1 19 . 1 1 92 92 ASP CB C 92 41.111 41.111 42.474 -1.363 19849 9462 1 19 . 1 1 92 92 ASP H H 92 8.340 8.340 8.365 -0.025 19849 9463 1 20 . 1 1 2 2 VAL N N 2 120.462 120.462 124.852 -4.390 19849 9464 1 20 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.542 -0.034 19849 9465 1 20 . 1 1 2 2 VAL C C 2 174.797 174.797 174.831 -0.034 19849 9466 1 20 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.310 -0.025 19849 9467 1 20 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.280 -0.459 19849 9468 1 20 . 1 1 2 2 VAL H H 2 8.729 8.729 8.567 0.162 19849 9469 1 20 . 1 1 3 3 THR N N 3 113.531 113.531 116.136 -2.605 19849 9470 1 20 . 1 1 3 3 THR HA H 3 4.794 4.794 4.744 0.050 19849 9471 1 20 . 1 1 3 3 THR C C 3 175.419 175.419 174.745 0.674 19849 9472 1 20 . 1 1 3 3 THR CA C 3 59.466 59.466 60.087 -0.621 19849 9473 1 20 . 1 1 3 3 THR H H 3 7.740 7.740 8.185 -0.445 19849 9474 1 20 . 1 1 4 4 LYS N N 4 121.981 121.981 122.186 -0.205 19849 9475 1 20 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.784 -0.347 19849 9476 1 20 . 1 1 4 4 LYS C C 4 177.186 177.186 177.912 -0.726 19849 9477 1 20 . 1 1 4 4 LYS CA C 4 59.716 59.716 59.236 0.480 19849 9478 1 20 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.201 1.009 19849 9479 1 20 . 1 1 4 4 LYS H H 4 9.168 9.168 8.969 0.199 19849 9480 1 20 . 1 1 5 5 GLU N N 5 117.723 117.723 117.738 -0.015 19849 9481 1 20 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.048 0.004 19849 9482 1 20 . 1 1 5 5 GLU C C 5 179.351 179.351 178.660 0.691 19849 9483 1 20 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.994 0.514 19849 9484 1 20 . 1 1 5 5 GLU CB C 5 28.394 28.394 28.980 -0.586 19849 9485 1 20 . 1 1 5 5 GLU H H 5 8.835 8.835 8.742 0.093 19849 9486 1 20 . 1 1 6 6 GLN N N 6 122.133 122.133 118.233 3.900 19849 9487 1 20 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.170 -0.161 19849 9488 1 20 . 1 1 6 6 GLN C C 6 178.109 178.109 177.848 0.261 19849 9489 1 20 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.450 0.428 19849 9490 1 20 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.113 0.760 19849 9491 1 20 . 1 1 6 6 GLN H H 6 7.867 7.867 7.690 0.177 19849 9492 1 20 . 1 1 7 7 VAL N N 7 120.130 120.130 121.165 -1.035 19849 9493 1 20 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.625 -0.488 19849 9494 1 20 . 1 1 7 7 VAL C C 7 177.807 177.807 178.123 -0.316 19849 9495 1 20 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.118 0.395 19849 9496 1 20 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.572 0.669 19849 9497 1 20 . 1 1 7 7 VAL H H 7 7.447 7.447 7.291 0.156 19849 9498 1 20 . 1 1 8 8 GLU N N 8 117.342 117.342 120.211 -2.869 19849 9499 1 20 . 1 1 8 8 GLU HA H 8 3.570 3.570 4.004 -0.434 19849 9500 1 20 . 1 1 8 8 GLU C C 8 174.166 174.166 178.734 -4.568 19849 9501 1 20 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.473 0.226 19849 9502 1 20 . 1 1 8 8 GLU CB C 8 29.844 29.844 29.059 0.785 19849 9503 1 20 . 1 1 8 8 GLU H H 8 8.529 8.529 8.150 0.379 19849 9504 1 20 . 1 1 9 9 ALA N N 9 124.344 124.344 121.283 3.061 19849 9505 1 20 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.108 0.312 19849 9506 1 20 . 1 1 9 9 ALA C C 9 177.996 177.996 179.608 -1.612 19849 9507 1 20 . 1 1 9 9 ALA CA C 9 55.523 55.523 55.017 0.506 19849 9508 1 20 . 1 1 9 9 ALA H H 9 8.301 8.301 7.673 0.628 19849 9509 1 20 . 1 1 10 10 SER N N 10 117.198 117.198 116.065 1.133 19849 9510 1 20 . 1 1 10 10 SER HA H 10 4.374 4.374 4.259 0.115 19849 9511 1 20 . 1 1 10 10 SER C C 10 175.219 175.219 176.509 -1.290 19849 9512 1 20 . 1 1 10 10 SER CA C 10 62.207 62.207 62.658 -0.451 19849 9513 1 20 . 1 1 10 10 SER H H 10 8.303 8.303 7.667 0.636 19849 9514 1 20 . 1 1 11 11 LEU N N 11 118.287 118.287 121.197 -2.910 19849 9515 1 20 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.111 -0.297 19849 9516 1 20 . 1 1 11 11 LEU C C 11 179.247 179.247 178.672 0.575 19849 9517 1 20 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.910 0.299 19849 9518 1 20 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.792 0.736 19849 9519 1 20 . 1 1 11 11 LEU H H 11 7.973 7.973 7.847 0.126 19849 9520 1 20 . 1 1 12 12 THR N N 12 116.416 116.416 114.068 2.348 19849 9521 1 20 . 1 1 12 12 THR HA H 12 3.530 3.530 4.038 -0.508 19849 9522 1 20 . 1 1 12 12 THR C C 12 176.464 176.464 175.959 0.505 19849 9523 1 20 . 1 1 12 12 THR CA C 12 67.016 67.016 66.218 0.798 19849 9524 1 20 . 1 1 12 12 THR CB C 12 68.586 68.586 68.144 0.442 19849 9525 1 20 . 1 1 12 12 THR H H 12 8.440 8.440 7.791 0.649 19849 9526 1 20 . 1 1 13 13 SER N N 13 115.144 115.144 116.645 -1.501 19849 9527 1 20 . 1 1 13 13 SER HA H 13 4.105 4.105 4.332 -0.227 19849 9528 1 20 . 1 1 13 13 SER C C 13 176.285 176.285 175.246 1.039 19849 9529 1 20 . 1 1 13 13 SER CA C 13 61.032 61.032 61.434 -0.402 19849 9530 1 20 . 1 1 13 13 SER CB C 13 63.045 63.045 63.359 -0.314 19849 9531 1 20 . 1 1 13 13 SER H H 13 8.022 8.022 7.479 0.543 19849 9532 1 20 . 1 1 14 14 LYS N N 14 116.028 116.028 120.694 -4.666 19849 9533 1 20 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.276 0.034 19849 9534 1 20 . 1 1 14 14 LYS C C 14 178.041 178.041 177.689 0.352 19849 9535 1 20 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.089 -0.247 19849 9536 1 20 . 1 1 14 14 LYS CB C 14 33.857 33.857 32.950 0.906 19849 9537 1 20 . 1 1 14 14 LYS H H 14 7.466 7.466 7.528 -0.062 19849 9538 1 20 . 1 1 15 15 LEU N N 15 114.405 114.405 118.179 -3.774 19849 9539 1 20 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.392 0.027 19849 9540 1 20 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.665 0.259 19849 9541 1 20 . 1 1 15 15 LEU CB C 15 42.360 42.360 42.962 -0.603 19849 9542 1 20 . 1 1 15 15 LEU H H 15 7.842 7.842 7.998 -0.156 19849 9543 1 20 . 1 1 16 16 LYS N N 16 116.513 116.513 116.778 -0.265 19849 9544 1 20 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.170 -0.050 19849 9545 1 20 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.570 -0.273 19849 9546 1 20 . 1 1 16 16 LYS H H 16 7.421 7.421 7.466 -0.045 19849 9547 1 20 . 1 1 17 17 PRO C C 17 177.159 177.159 175.857 1.302 19849 9548 1 20 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.171 -0.276 19849 9549 1 20 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.469 2.838 19849 9550 1 20 . 1 1 18 18 ILE N N 18 116.671 116.671 120.696 -4.025 19849 9551 1 20 . 1 1 18 18 ILE HA H 18 4.294 4.294 3.863 0.431 19849 9552 1 20 . 1 1 18 18 ILE C C 18 175.085 175.085 176.539 -1.454 19849 9553 1 20 . 1 1 18 18 ILE CA C 18 61.027 61.027 63.395 -2.368 19849 9554 1 20 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.371 0.645 19849 9555 1 20 . 1 1 18 18 ILE H H 18 7.917 7.917 7.552 0.365 19849 9556 1 20 . 1 1 19 19 HIS N N 19 117.574 117.574 117.924 -0.350 19849 9557 1 20 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.703 -0.261 19849 9558 1 20 . 1 1 19 19 HIS C C 19 171.727 171.727 173.067 -1.340 19849 9559 1 20 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.371 1.002 19849 9560 1 20 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.971 1.588 19849 9561 1 20 . 1 1 19 19 HIS H H 19 6.968 6.968 7.739 -0.771 19849 9562 1 20 . 1 1 20 20 LEU N N 20 128.803 128.803 128.328 0.475 19849 9563 1 20 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.584 -0.778 19849 9564 1 20 . 1 1 20 20 LEU C C 20 173.636 173.636 175.416 -1.780 19849 9565 1 20 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.925 -0.501 19849 9566 1 20 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.570 0.994 19849 9567 1 20 . 1 1 20 20 LEU H H 20 7.928 7.928 8.221 -0.293 19849 9568 1 20 . 1 1 21 21 GLU N N 21 125.639 125.639 127.790 -2.151 19849 9569 1 20 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.615 -0.105 19849 9570 1 20 . 1 1 21 21 GLU C C 21 174.143 174.143 174.758 -0.615 19849 9571 1 20 . 1 1 21 21 GLU CA C 21 55.709 55.709 54.045 1.664 19849 9572 1 20 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.345 2.248 19849 9573 1 20 . 1 1 21 21 GLU H H 21 8.703 8.703 8.594 0.109 19849 9574 1 20 . 1 1 22 22 VAL N N 22 126.675 126.675 121.103 5.572 19849 9575 1 20 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.868 -0.251 19849 9576 1 20 . 1 1 22 22 VAL C C 22 173.843 173.843 174.665 -0.822 19849 9577 1 20 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.568 0.791 19849 9578 1 20 . 1 1 22 22 VAL CB C 22 33.671 33.671 32.478 1.193 19849 9579 1 20 . 1 1 22 22 VAL H H 22 8.936 8.936 8.645 0.291 19849 9580 1 20 . 1 1 23 23 ILE N N 23 126.078 126.078 128.291 -2.213 19849 9581 1 20 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.411 0.062 19849 9582 1 20 . 1 1 23 23 ILE C C 23 175.007 175.007 174.632 0.375 19849 9583 1 20 . 1 1 23 23 ILE CA C 23 59.446 59.446 60.134 -0.688 19849 9584 1 20 . 1 1 23 23 ILE CB C 23 41.237 41.237 37.607 3.630 19849 9585 1 20 . 1 1 23 23 ILE H H 23 9.099 9.099 8.876 0.223 19849 9586 1 20 . 1 1 24 24 ASP N N 24 127.026 127.026 128.757 -1.731 19849 9587 1 20 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.629 -0.019 19849 9588 1 20 . 1 1 24 24 ASP C C 24 176.888 176.888 176.283 0.605 19849 9589 1 20 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.146 -1.282 19849 9590 1 20 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.191 -0.159 19849 9591 1 20 . 1 1 24 24 ASP H H 24 9.152 9.152 8.647 0.505 19849 9592 1 20 . 1 1 25 25 ILE N N 25 123.148 123.148 127.146 -3.998 19849 9593 1 20 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.213 0.379 19849 9594 1 20 . 1 1 25 25 ILE C C 25 175.765 175.765 176.499 -0.734 19849 9595 1 20 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.647 -0.535 19849 9596 1 20 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.480 -1.567 19849 9597 1 20 . 1 1 25 25 ILE H H 25 7.915 7.915 8.017 -0.102 19849 9598 1 20 . 1 1 26 26 SER N N 26 119.373 119.373 114.455 4.918 19849 9599 1 20 . 1 1 26 26 SER HA H 26 4.520 4.520 4.725 -0.205 19849 9600 1 20 . 1 1 26 26 SER C C 26 175.488 175.488 174.744 0.744 19849 9601 1 20 . 1 1 26 26 SER CA C 26 58.030 58.030 58.371 -0.341 19849 9602 1 20 . 1 1 26 26 SER CB C 26 64.605 64.605 65.258 -0.653 19849 9603 1 20 . 1 1 26 26 SER H H 26 9.175 9.175 8.541 0.634 19849 9604 1 20 . 1 1 27 27 GLY N N 27 111.902 111.902 109.049 2.853 19849 9605 1 20 . 1 1 27 27 GLY C C 27 175.418 175.418 173.350 2.068 19849 9606 1 20 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.741 0.694 19849 9607 1 20 . 1 1 27 27 GLY H H 27 8.417 8.417 7.822 0.595 19849 9608 1 20 . 1 1 28 28 GLY N N 28 106.936 106.936 108.707 -1.771 19849 9609 1 20 . 1 1 28 28 GLY C C 28 177.627 177.627 174.866 2.761 19849 9610 1 20 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.473 0.155 19849 9611 1 20 . 1 1 28 28 GLY H H 28 7.864 7.864 8.431 -0.567 19849 9612 1 20 . 1 1 29 29 CYS N N 29 116.829 116.829 119.094 -2.265 19849 9613 1 20 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.453 -0.090 19849 9614 1 20 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.857 -0.417 19849 9615 1 20 . 1 1 29 29 CYS CB C 29 27.858 27.858 27.424 0.434 19849 9616 1 20 . 1 1 29 29 CYS H H 29 7.380 7.380 8.378 -0.998 19849 9617 1 20 . 1 1 30 30 GLY N N 30 111.626 111.626 107.997 3.629 19849 9618 1 20 . 1 1 30 30 GLY C C 30 173.383 173.383 173.838 -0.455 19849 9619 1 20 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.057 2.029 19849 9620 1 20 . 1 1 30 30 GLY H H 30 8.965 8.965 8.388 0.577 19849 9621 1 20 . 1 1 31 31 SER N N 31 111.735 111.735 116.051 -4.316 19849 9622 1 20 . 1 1 31 31 SER HA H 31 4.639 4.639 3.876 0.763 19849 9623 1 20 . 1 1 31 31 SER C C 31 174.246 174.246 173.732 0.514 19849 9624 1 20 . 1 1 31 31 SER CA C 31 58.203 58.203 59.635 -1.432 19849 9625 1 20 . 1 1 31 31 SER CB C 31 64.459 64.459 62.861 1.598 19849 9626 1 20 . 1 1 31 31 SER H H 31 8.220 8.220 7.702 0.518 19849 9627 1 20 . 1 1 32 32 SER N N 32 116.259 116.259 122.099 -5.840 19849 9628 1 20 . 1 1 32 32 SER HA H 32 5.346 5.346 4.547 0.799 19849 9629 1 20 . 1 1 32 32 SER C C 32 176.363 176.363 172.393 3.970 19849 9630 1 20 . 1 1 32 32 SER CA C 32 57.400 57.400 57.500 -0.100 19849 9631 1 20 . 1 1 32 32 SER CB C 32 62.866 62.866 64.678 -1.812 19849 9632 1 20 . 1 1 32 32 SER H H 32 7.253 7.253 8.162 -0.909 19849 9633 1 20 . 1 1 33 33 PHE N N 33 118.533 118.533 123.170 -4.637 19849 9634 1 20 . 1 1 33 33 PHE HA H 33 5.656 5.656 4.936 0.720 19849 9635 1 20 . 1 1 33 33 PHE C C 33 174.163 174.163 175.046 -0.883 19849 9636 1 20 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.500 -0.118 19849 9637 1 20 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.571 2.879 19849 9638 1 20 . 1 1 33 33 PHE H H 33 7.995 7.995 8.790 -0.795 19849 9639 1 20 . 1 1 34 34 GLU N N 34 122.301 122.301 124.493 -2.192 19849 9640 1 20 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.960 0.600 19849 9641 1 20 . 1 1 34 34 GLU C C 34 175.902 175.902 176.078 -0.176 19849 9642 1 20 . 1 1 34 34 GLU CA C 34 54.376 54.376 54.794 -0.418 19849 9643 1 20 . 1 1 34 34 GLU CB C 34 33.543 33.543 29.992 3.551 19849 9644 1 20 . 1 1 34 34 GLU H H 34 9.436 9.436 8.468 0.968 19849 9645 1 20 . 1 1 35 35 VAL N N 35 118.350 118.350 121.335 -2.985 19849 9646 1 20 . 1 1 35 35 VAL HA H 35 5.369 5.369 5.159 0.210 19849 9647 1 20 . 1 1 35 35 VAL C C 35 174.616 174.616 174.853 -0.237 19849 9648 1 20 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.241 0.123 19849 9649 1 20 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.139 2.039 19849 9650 1 20 . 1 1 35 35 VAL H H 35 8.784 8.784 9.109 -0.325 19849 9651 1 20 . 1 1 36 36 GLU N N 36 123.537 123.537 125.629 -2.092 19849 9652 1 20 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.993 -0.024 19849 9653 1 20 . 1 1 36 36 GLU C C 36 174.745 174.745 175.182 -0.437 19849 9654 1 20 . 1 1 36 36 GLU CA C 36 55.191 55.191 55.287 -0.096 19849 9655 1 20 . 1 1 36 36 GLU CB C 36 33.086 33.086 32.725 0.361 19849 9656 1 20 . 1 1 36 36 GLU H H 36 8.859 8.859 8.452 0.407 19849 9657 1 20 . 1 1 37 37 VAL N N 37 120.272 120.272 124.549 -4.277 19849 9658 1 20 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.084 -0.472 19849 9659 1 20 . 1 1 37 37 VAL C C 37 172.679 172.679 174.591 -1.912 19849 9660 1 20 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.788 -0.498 19849 9661 1 20 . 1 1 37 37 VAL CB C 37 35.021 35.021 35.241 -0.220 19849 9662 1 20 . 1 1 37 37 VAL H H 37 8.497 8.497 9.304 -0.807 19849 9663 1 20 . 1 1 38 38 VAL N N 38 127.971 127.971 127.796 0.175 19849 9664 1 20 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.380 -0.123 19849 9665 1 20 . 1 1 38 38 VAL C C 38 175.842 175.842 174.596 1.246 19849 9666 1 20 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.622 -1.148 19849 9667 1 20 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.386 0.729 19849 9668 1 20 . 1 1 38 38 VAL H H 38 8.169 8.169 8.605 -0.436 19849 9669 1 20 . 1 1 39 39 SER N N 39 117.426 117.426 119.614 -2.188 19849 9670 1 20 . 1 1 39 39 SER HA H 39 4.821 4.821 4.719 0.102 19849 9671 1 20 . 1 1 39 39 SER C C 39 175.323 175.323 173.586 1.737 19849 9672 1 20 . 1 1 39 39 SER CA C 39 55.888 55.888 55.855 0.034 19849 9673 1 20 . 1 1 39 39 SER CB C 39 64.183 64.183 65.807 -1.624 19849 9674 1 20 . 1 1 39 39 SER H H 39 8.304 8.304 7.851 0.453 19849 9675 1 20 . 1 1 40 40 GLU N N 40 131.571 131.571 124.407 7.164 19849 9676 1 20 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.065 0.054 19849 9677 1 20 . 1 1 40 40 GLU C C 40 177.887 177.887 176.725 1.162 19849 9678 1 20 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.229 0.452 19849 9679 1 20 . 1 1 40 40 GLU CB C 40 29.630 29.630 28.916 0.714 19849 9680 1 20 . 1 1 40 40 GLU H H 40 9.911 9.911 9.007 0.904 19849 9681 1 20 . 1 1 41 41 GLN N N 41 117.534 117.534 117.476 0.058 19849 9682 1 20 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.208 -0.224 19849 9683 1 20 . 1 1 41 41 GLN C C 41 176.391 176.391 175.554 0.837 19849 9684 1 20 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.189 1.254 19849 9685 1 20 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.564 0.339 19849 9686 1 20 . 1 1 41 41 GLN H H 41 8.219 8.219 7.949 0.270 19849 9687 1 20 . 1 1 42 42 PHE N N 42 113.224 113.224 117.037 -3.813 19849 9688 1 20 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.757 -0.231 19849 9689 1 20 . 1 1 42 42 PHE C C 42 175.064 175.064 175.113 -0.049 19849 9690 1 20 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.223 -0.084 19849 9691 1 20 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.579 -0.943 19849 9692 1 20 . 1 1 42 42 PHE H H 42 6.894 6.894 7.794 -0.900 19849 9693 1 20 . 1 1 43 43 GLU N N 43 121.136 121.136 121.972 -0.836 19849 9694 1 20 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.303 -0.336 19849 9695 1 20 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.475 1.886 19849 9696 1 20 . 1 1 43 43 GLU CB C 43 29.234 29.234 29.077 0.157 19849 9697 1 20 . 1 1 43 43 GLU H H 43 7.469 7.469 7.502 -0.033 19849 9698 1 20 . 1 1 44 44 GLY N N 44 114.819 114.819 116.681 -1.862 19849 9699 1 20 . 1 1 44 44 GLY C C 44 174.101 174.101 174.170 -0.069 19849 9700 1 20 . 1 1 44 44 GLY CA C 44 45.625 45.625 45.980 -0.355 19849 9701 1 20 . 1 1 44 44 GLY H H 44 9.014 9.014 8.856 0.158 19849 9702 1 20 . 1 1 45 45 LYS N N 45 118.678 118.678 119.991 -1.313 19849 9703 1 20 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.620 0.069 19849 9704 1 20 . 1 1 45 45 LYS C C 45 177.858 177.858 176.681 1.177 19849 9705 1 20 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.560 -0.999 19849 9706 1 20 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.152 -0.711 19849 9707 1 20 . 1 1 45 45 LYS H H 45 7.932 7.932 7.561 0.371 19849 9708 1 20 . 1 1 46 46 ARG N N 46 125.430 125.430 122.048 3.382 19849 9709 1 20 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.433 -0.140 19849 9710 1 20 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.668 0.111 19849 9711 1 20 . 1 1 46 46 ARG H H 46 9.288 9.288 8.751 0.537 19849 9712 1 20 . 1 1 47 47 LEU N N 47 124.205 124.205 123.492 0.713 19849 9713 1 20 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.599 0.103 19849 9714 1 20 . 1 1 47 47 LEU C C 47 178.476 178.476 178.121 0.355 19849 9715 1 20 . 1 1 47 47 LEU CA C 47 60.689 60.689 57.941 2.748 19849 9716 1 20 . 1 1 47 47 LEU H H 47 8.320 8.320 8.693 -0.373 19849 9717 1 20 . 1 1 48 48 LEU N N 48 115.874 115.874 119.178 -3.304 19849 9718 1 20 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.006 -0.234 19849 9719 1 20 . 1 1 48 48 LEU C C 48 179.985 179.985 179.152 0.833 19849 9720 1 20 . 1 1 48 48 LEU CA C 48 58.623 58.623 58.022 0.601 19849 9721 1 20 . 1 1 48 48 LEU H H 48 8.587 8.587 7.978 0.609 19849 9722 1 20 . 1 1 49 49 GLU N N 49 118.216 118.216 118.311 -0.095 19849 9723 1 20 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.024 0.084 19849 9724 1 20 . 1 1 49 49 GLU C C 49 177.944 177.944 179.519 -1.575 19849 9725 1 20 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.193 -0.775 19849 9726 1 20 . 1 1 49 49 GLU H H 49 6.964 6.964 7.831 -0.867 19849 9727 1 20 . 1 1 50 50 ARG N N 50 119.674 119.674 119.870 -0.196 19849 9728 1 20 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.269 -0.352 19849 9729 1 20 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.635 -0.561 19849 9730 1 20 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.013 -1.002 19849 9731 1 20 . 1 1 50 50 ARG H H 50 7.991 7.991 8.415 -0.424 19849 9732 1 20 . 1 1 51 51 HIS N N 51 117.056 117.056 117.885 -0.829 19849 9733 1 20 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.418 -0.422 19849 9734 1 20 . 1 1 51 51 HIS C C 51 176.638 176.638 178.214 -1.576 19849 9735 1 20 . 1 1 51 51 HIS H H 51 8.294 8.294 8.281 0.013 19849 9736 1 20 . 1 1 52 52 ARG N N 52 120.626 120.626 118.675 1.951 19849 9737 1 20 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.138 0.080 19849 9738 1 20 . 1 1 52 52 ARG C C 52 179.014 179.014 177.680 1.334 19849 9739 1 20 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.801 1.191 19849 9740 1 20 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.175 -0.616 19849 9741 1 20 . 1 1 52 52 ARG H H 52 8.001 8.001 8.598 -0.597 19849 9742 1 20 . 1 1 53 53 MET N N 53 119.087 119.087 118.559 0.528 19849 9743 1 20 . 1 1 53 53 MET HA H 53 4.006 4.006 4.485 -0.479 19849 9744 1 20 . 1 1 53 53 MET C C 53 179.286 179.286 177.416 1.870 19849 9745 1 20 . 1 1 53 53 MET CA C 53 59.404 59.404 56.812 2.592 19849 9746 1 20 . 1 1 53 53 MET CB C 53 34.976 34.976 33.060 1.916 19849 9747 1 20 . 1 1 53 53 MET H H 53 8.162 8.162 7.642 0.520 19849 9748 1 20 . 1 1 54 54 VAL N N 54 120.886 120.886 119.963 0.923 19849 9749 1 20 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.610 -0.185 19849 9750 1 20 . 1 1 54 54 VAL C C 54 176.296 176.296 177.897 -1.601 19849 9751 1 20 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.382 0.451 19849 9752 1 20 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.069 -0.625 19849 9753 1 20 . 1 1 54 54 VAL H H 54 7.790 7.790 8.028 -0.238 19849 9754 1 20 . 1 1 55 55 ASN N N 55 116.881 116.881 117.553 -0.672 19849 9755 1 20 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.499 -0.486 19849 9756 1 20 . 1 1 55 55 ASN C C 55 178.422 178.422 176.661 1.761 19849 9757 1 20 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.208 1.921 19849 9758 1 20 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.364 0.503 19849 9759 1 20 . 1 1 55 55 ASN H H 55 8.032 8.032 8.513 -0.481 19849 9760 1 20 . 1 1 56 56 ALA N N 56 121.164 121.164 122.488 -1.324 19849 9761 1 20 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.162 -0.079 19849 9762 1 20 . 1 1 56 56 ALA C C 56 180.700 180.700 178.686 2.014 19849 9763 1 20 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.445 0.155 19849 9764 1 20 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.043 0.219 19849 9765 1 20 . 1 1 56 56 ALA H H 56 8.578 8.578 7.774 0.804 19849 9766 1 20 . 1 1 57 57 ALA N N 57 121.156 121.156 119.397 1.759 19849 9767 1 20 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.364 -0.332 19849 9768 1 20 . 1 1 57 57 ALA C C 57 177.240 177.240 177.636 -0.396 19849 9769 1 20 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.816 0.271 19849 9770 1 20 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.235 -0.773 19849 9771 1 20 . 1 1 57 57 ALA H H 57 7.609 7.609 7.617 -0.008 19849 9772 1 20 . 1 1 58 58 LEU N N 58 116.065 116.065 117.688 -1.623 19849 9773 1 20 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.921 -0.026 19849 9774 1 20 . 1 1 58 58 LEU C C 58 176.446 176.446 177.768 -1.322 19849 9775 1 20 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.872 -2.351 19849 9776 1 20 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.892 -0.139 19849 9777 1 20 . 1 1 58 58 LEU H H 58 6.995 6.995 7.096 -0.101 19849 9778 1 20 . 1 1 59 59 GLU N N 59 120.288 120.288 121.939 -1.651 19849 9779 1 20 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.006 -0.232 19849 9780 1 20 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.108 0.628 19849 9781 1 20 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.668 0.339 19849 9782 1 20 . 1 1 59 59 GLU H H 59 7.034 7.034 8.218 -1.184 19849 9783 1 20 . 1 1 60 60 GLU N N 60 116.322 116.322 118.241 -1.919 19849 9784 1 20 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.113 -0.083 19849 9785 1 20 . 1 1 60 60 GLU C C 60 179.270 179.270 178.154 1.116 19849 9786 1 20 . 1 1 60 60 GLU CA C 60 58.693 58.693 58.901 -0.208 19849 9787 1 20 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.214 1.102 19849 9788 1 20 . 1 1 60 60 GLU H H 60 8.622 8.622 8.627 -0.005 19849 9789 1 20 . 1 1 61 61 GLU N N 61 121.506 121.506 119.582 1.924 19849 9790 1 20 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.059 -0.169 19849 9791 1 20 . 1 1 61 61 GLU C C 61 179.010 179.010 178.114 0.896 19849 9792 1 20 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.154 1.808 19849 9793 1 20 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.128 -0.653 19849 9794 1 20 . 1 1 61 61 GLU H H 61 8.946 8.946 7.980 0.966 19849 9795 1 20 . 1 1 62 62 MET N N 62 116.213 116.213 117.750 -1.537 19849 9796 1 20 . 1 1 62 62 MET HA H 62 4.312 4.312 4.220 0.092 19849 9797 1 20 . 1 1 62 62 MET CA C 62 56.302 56.302 57.448 -1.146 19849 9798 1 20 . 1 1 62 62 MET CB C 62 30.553 30.553 32.367 -1.814 19849 9799 1 20 . 1 1 62 62 MET H H 62 8.693 8.693 8.017 0.676 19849 9800 1 20 . 1 1 63 63 LYS N N 63 116.969 116.969 115.550 1.419 19849 9801 1 20 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.172 -0.087 19849 9802 1 20 . 1 1 63 63 LYS C C 63 177.541 177.541 177.986 -0.445 19849 9803 1 20 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.454 1.274 19849 9804 1 20 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.123 0.402 19849 9805 1 20 . 1 1 63 63 LYS H H 63 7.470 7.470 7.425 0.045 19849 9806 1 20 . 1 1 64 64 GLU N N 64 115.556 115.556 118.069 -2.513 19849 9807 1 20 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.335 0.130 19849 9808 1 20 . 1 1 64 64 GLU C C 64 175.679 175.679 176.811 -1.132 19849 9809 1 20 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.686 -1.083 19849 9810 1 20 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.194 1.076 19849 9811 1 20 . 1 1 64 64 GLU H H 64 7.773 7.773 7.778 -0.005 19849 9812 1 20 . 1 1 65 65 ILE N N 65 120.461 120.461 114.379 6.082 19849 9813 1 20 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.401 -0.322 19849 9814 1 20 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.652 2.056 19849 9815 1 20 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.549 0.533 19849 9816 1 20 . 1 1 65 65 ILE H H 65 7.502 7.502 7.686 -0.184 19849 9817 1 20 . 1 1 66 66 HIS N N 66 125.683 125.683 118.955 6.728 19849 9818 1 20 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.696 -0.151 19849 9819 1 20 . 1 1 66 66 HIS CA C 66 57.683 57.683 55.353 2.329 19849 9820 1 20 . 1 1 66 66 HIS CB C 66 30.277 30.277 32.356 -2.079 19849 9821 1 20 . 1 1 66 66 HIS H H 66 9.196 9.196 8.165 1.031 19849 9822 1 20 . 1 1 67 67 ALA N N 67 120.229 120.229 121.737 -1.508 19849 9823 1 20 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.514 -0.090 19849 9824 1 20 . 1 1 67 67 ALA C C 67 173.834 173.834 175.102 -1.268 19849 9825 1 20 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.495 -0.346 19849 9826 1 20 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.963 0.478 19849 9827 1 20 . 1 1 67 67 ALA H H 67 7.493 7.493 8.063 -0.570 19849 9828 1 20 . 1 1 68 68 LEU N N 68 124.546 124.546 124.045 0.501 19849 9829 1 20 . 1 1 68 68 LEU HA H 68 4.994 4.994 4.994 -0.000 19849 9830 1 20 . 1 1 68 68 LEU C C 68 175.157 175.157 175.986 -0.829 19849 9831 1 20 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.781 -1.590 19849 9832 1 20 . 1 1 68 68 LEU CB C 68 44.768 44.768 45.075 -0.307 19849 9833 1 20 . 1 1 68 68 LEU H H 68 8.557 8.557 8.644 -0.087 19849 9834 1 20 . 1 1 69 69 SER N N 69 122.077 122.077 121.767 0.310 19849 9835 1 20 . 1 1 69 69 SER HA H 69 4.677 4.677 4.741 -0.064 19849 9836 1 20 . 1 1 69 69 SER C C 69 173.548 173.548 173.150 0.398 19849 9837 1 20 . 1 1 69 69 SER CA C 69 55.803 55.803 57.379 -1.576 19849 9838 1 20 . 1 1 69 69 SER CB C 69 63.549 63.549 64.026 -0.477 19849 9839 1 20 . 1 1 69 69 SER H H 69 8.854 8.854 9.205 -0.351 19849 9840 1 20 . 1 1 70 70 ILE N N 70 129.143 129.143 128.516 0.627 19849 9841 1 20 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.557 -0.451 19849 9842 1 20 . 1 1 70 70 ILE C C 70 175.059 175.059 175.650 -0.591 19849 9843 1 20 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.424 0.209 19849 9844 1 20 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.837 -1.410 19849 9845 1 20 . 1 1 70 70 ILE H H 70 8.922 8.922 8.891 0.031 19849 9846 1 20 . 1 1 71 71 LYS N N 71 130.019 130.019 126.862 3.157 19849 9847 1 20 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.214 -0.142 19849 9848 1 20 . 1 1 71 71 LYS C C 71 177.201 177.201 176.938 0.263 19849 9849 1 20 . 1 1 71 71 LYS CA C 71 57.938 57.938 56.882 1.056 19849 9850 1 20 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.364 1.062 19849 9851 1 20 . 1 1 71 71 LYS H H 71 8.676 8.676 8.764 -0.088 19849 9852 1 20 . 1 1 72 72 LYS N N 72 113.659 113.659 118.561 -4.902 19849 9853 1 20 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.524 -0.049 19849 9854 1 20 . 1 1 72 72 LYS C C 72 174.013 174.013 174.101 -0.088 19849 9855 1 20 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.804 0.160 19849 9856 1 20 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.359 2.335 19849 9857 1 20 . 1 1 72 72 LYS H H 72 7.195 7.195 7.453 -0.258 19849 9858 1 20 . 1 1 73 73 ALA N N 73 129.019 129.019 128.883 0.136 19849 9859 1 20 . 1 1 73 73 ALA HA H 73 5.202 5.202 5.115 0.087 19849 9860 1 20 . 1 1 73 73 ALA C C 73 175.410 175.410 175.396 0.014 19849 9861 1 20 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.522 0.426 19849 9862 1 20 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.581 -1.893 19849 9863 1 20 . 1 1 73 73 ALA H H 73 8.847 8.847 8.643 0.204 19849 9864 1 20 . 1 1 74 74 GLN N N 74 120.993 120.993 122.779 -1.786 19849 9865 1 20 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.789 0.057 19849 9866 1 20 . 1 1 74 74 GLN C C 74 175.603 175.603 174.448 1.155 19849 9867 1 20 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.320 0.453 19849 9868 1 20 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.364 0.591 19849 9869 1 20 . 1 1 74 74 GLN H H 74 8.398 8.398 8.463 -0.065 19849 9870 1 20 . 1 1 75 75 THR N N 75 111.917 111.917 112.239 -0.322 19849 9871 1 20 . 1 1 75 75 THR HA H 75 4.866 4.866 4.929 -0.063 19849 9872 1 20 . 1 1 75 75 THR CA C 75 59.600 59.600 58.155 1.445 19849 9873 1 20 . 1 1 75 75 THR H H 75 8.920 8.920 8.701 0.219 19849 9874 1 20 . 1 1 76 76 PRO C C 76 177.659 177.659 177.663 -0.004 19849 9875 1 20 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.296 1.147 19849 9876 1 20 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.694 0.182 19849 9877 1 20 . 1 1 77 77 GLN N N 77 114.329 114.329 116.679 -2.350 19849 9878 1 20 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.206 -0.140 19849 9879 1 20 . 1 1 77 77 GLN C C 77 177.630 177.630 177.133 0.497 19849 9880 1 20 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.585 0.067 19849 9881 1 20 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.986 0.252 19849 9882 1 20 . 1 1 77 77 GLN H H 77 8.481 8.481 8.597 -0.116 19849 9883 1 20 . 1 1 78 78 GLN N N 78 116.831 116.831 117.724 -0.893 19849 9884 1 20 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.419 -0.326 19849 9885 1 20 . 1 1 78 78 GLN C C 78 176.403 176.403 178.540 -2.137 19849 9886 1 20 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.617 -0.324 19849 9887 1 20 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.371 1.603 19849 9888 1 20 . 1 1 78 78 GLN H H 78 7.503 7.503 7.857 -0.354 19849 9889 1 20 . 1 1 79 79 TRP N N 79 120.561 120.561 121.447 -0.886 19849 9890 1 20 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.200 0.187 19849 9891 1 20 . 1 1 79 79 TRP C C 79 175.429 175.429 176.264 -0.835 19849 9892 1 20 . 1 1 79 79 TRP CA C 79 58.561 58.561 61.151 -2.590 19849 9893 1 20 . 1 1 79 79 TRP CB C 79 30.914 30.914 30.033 0.881 19849 9894 1 20 . 1 1 79 79 TRP H H 79 7.668 7.668 8.816 -1.148 19849 9895 1 20 . 1 1 80 80 LYS N N 80 120.883 120.883 114.782 6.101 19849 9896 1 20 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.168 0.032 19849 9897 1 20 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.228 -4.190 19849 9898 1 20 . 1 1 80 80 LYS H H 80 7.768 7.768 7.642 0.126 19849 9899 1 20 . 1 1 82 82 PRO C C 82 176.919 176.919 176.430 0.489 19849 9900 1 20 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.376 -0.436 19849 9901 1 20 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.228 -0.202 19849 9902 1 20 . 1 1 83 83 SER N N 83 115.592 115.592 120.123 -4.531 19849 9903 1 20 . 1 1 83 83 SER HA H 83 4.315 4.315 4.435 -0.120 19849 9904 1 20 . 1 1 83 83 SER C C 83 174.665 174.665 174.970 -0.305 19849 9905 1 20 . 1 1 83 83 SER CA C 83 58.162 58.162 58.687 -0.525 19849 9906 1 20 . 1 1 83 83 SER CB C 83 63.831 63.831 63.040 0.791 19849 9907 1 20 . 1 1 83 83 SER H H 83 8.264 8.264 8.745 -0.481 19849 9908 1 20 . 1 1 84 84 GLN N N 84 122.131 122.131 119.841 2.290 19849 9909 1 20 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.117 0.172 19849 9910 1 20 . 1 1 84 84 GLN C C 84 175.598 175.598 176.044 -0.446 19849 9911 1 20 . 1 1 84 84 GLN CA C 84 55.851 55.851 57.754 -1.903 19849 9912 1 20 . 1 1 84 84 GLN CB C 84 29.619 29.619 27.733 1.887 19849 9913 1 20 . 1 1 84 84 GLN H H 84 8.430 8.430 7.883 0.547 19849 9914 1 20 . 1 1 85 85 ASP N N 85 121.550 121.550 117.169 4.381 19849 9915 1 20 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.462 0.072 19849 9916 1 20 . 1 1 85 85 ASP C C 85 176.431 176.431 175.977 0.454 19849 9917 1 20 . 1 1 85 85 ASP CA C 85 54.424 54.424 54.603 -0.180 19849 9918 1 20 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.368 0.902 19849 9919 1 20 . 1 1 85 85 ASP H H 85 8.307 8.307 7.981 0.326 19849 9920 1 20 . 1 1 86 86 SER N N 86 116.617 116.617 114.353 2.264 19849 9921 1 20 . 1 1 86 86 SER HA H 86 4.316 4.316 4.422 -0.106 19849 9922 1 20 . 1 1 86 86 SER C C 86 174.590 174.590 175.331 -0.741 19849 9923 1 20 . 1 1 86 86 SER CA C 86 58.797 58.797 59.586 -0.789 19849 9924 1 20 . 1 1 86 86 SER CB C 86 63.667 63.667 64.059 -0.392 19849 9925 1 20 . 1 1 86 86 SER H H 86 8.231 8.231 7.655 0.576 19849 9926 1 20 . 1 1 87 87 ALA N N 87 125.663 125.663 122.056 3.607 19849 9927 1 20 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.495 -0.205 19849 9928 1 20 . 1 1 87 87 ALA C C 87 178.018 178.018 177.349 0.669 19849 9929 1 20 . 1 1 87 87 ALA CA C 87 52.952 52.952 53.157 -0.205 19849 9930 1 20 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.334 0.783 19849 9931 1 20 . 1 1 87 87 ALA H H 87 8.312 8.312 7.702 0.610 19849 9932 1 20 . 1 1 88 88 THR N N 88 112.987 112.987 110.303 2.684 19849 9933 1 20 . 1 1 88 88 THR HA H 88 4.221 4.221 4.447 -0.226 19849 9934 1 20 . 1 1 88 88 THR C C 88 174.488 174.488 173.897 0.591 19849 9935 1 20 . 1 1 88 88 THR CA C 88 62.115 62.115 62.256 -0.141 19849 9936 1 20 . 1 1 88 88 THR CB C 88 69.626 69.626 69.466 0.160 19849 9937 1 20 . 1 1 88 88 THR H H 88 7.997 7.997 7.481 0.516 19849 9938 1 20 . 1 1 89 89 LEU N N 89 124.655 124.655 120.999 3.656 19849 9939 1 20 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.807 -0.451 19849 9940 1 20 . 1 1 89 89 LEU C C 89 177.367 177.367 176.025 1.342 19849 9941 1 20 . 1 1 89 89 LEU CA C 89 55.263 55.263 56.056 -0.793 19849 9942 1 20 . 1 1 89 89 LEU CB C 89 42.492 42.492 43.709 -1.217 19849 9943 1 20 . 1 1 89 89 LEU H H 89 8.119 8.119 8.024 0.095 19849 9944 1 20 . 1 1 90 90 THR N N 90 115.527 115.527 111.423 4.104 19849 9945 1 20 . 1 1 90 90 THR HA H 90 4.261 4.261 4.340 -0.079 19849 9946 1 20 . 1 1 90 90 THR CA C 90 61.707 61.707 62.235 -0.528 19849 9947 1 20 . 1 1 90 90 THR CB C 90 69.825 69.825 69.534 0.291 19849 9948 1 20 . 1 1 90 90 THR H H 90 8.086 8.086 7.875 0.211 19849 9949 1 20 . 1 1 91 91 LYS N N 91 123.923 123.923 117.812 6.111 19849 9950 1 20 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.376 -0.083 19849 9951 1 20 . 1 1 91 91 LYS C C 91 175.949 175.949 174.952 0.997 19849 9952 1 20 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.673 -0.509 19849 9953 1 20 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.106 1.153 19849 9954 1 20 . 1 1 91 91 LYS H H 91 8.272 8.272 7.771 0.501 19849 9955 1 20 . 1 1 92 92 ASP N N 92 122.237 122.237 119.356 2.881 19849 9956 1 20 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.679 -0.169 19849 9957 1 20 . 1 1 92 92 ASP C C 92 174.733 174.733 175.757 -1.024 19849 9958 1 20 . 1 1 92 92 ASP CA C 92 54.535 54.535 54.062 0.473 19849 9959 1 20 . 1 1 92 92 ASP CB C 92 41.111 41.111 42.393 -1.282 19849 9960 1 20 . 1 1 92 92 ASP H H 92 8.340 8.340 7.987 0.353 19849 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 87 3.413 -0.186 3.428 19849 2 1 1 "Average Difference" HA 90 0.313 0.065 0.308 19849 3 1 1 "Average Difference" C 77 1.229 -0.048 1.236 19849 4 1 1 "Average Difference" CA 89 1.219 -0.010 1.226 19849 5 1 1 "Average Difference" CB 75 1.226 -0.305 1.196 19849 6 1 1 "Average Difference" HN 87 0.540 -0.058 0.540 19849 7 1 2 "Average Difference" N 87 3.270 0.357 3.270 19849 8 1 2 "Average Difference" HA 90 0.316 0.064 0.311 19849 9 1 2 "Average Difference" C 77 1.285 -0.071 1.292 19849 10 1 2 "Average Difference" CA 89 1.232 -0.028 1.239 19849 11 1 2 "Average Difference" CB 75 1.232 -0.365 1.184 19849 12 1 2 "Average Difference" HN 87 0.520 -0.075 0.517 19849 13 1 3 "Average Difference" N 87 3.252 0.103 3.269 19849 14 1 3 "Average Difference" HA 90 0.297 0.083 0.286 19849 15 1 3 "Average Difference" C 77 1.245 -0.026 1.253 19849 16 1 3 "Average Difference" CA 89 1.244 0.025 1.251 19849 17 1 3 "Average Difference" CB 75 1.243 -0.304 1.214 19849 18 1 3 "Average Difference" HN 87 0.514 -0.047 0.514 19849 19 1 4 "Average Difference" N 87 3.234 -0.005 3.252 19849 20 1 4 "Average Difference" HA 90 0.314 0.067 0.308 19849 21 1 4 "Average Difference" C 77 1.279 -0.020 1.287 19849 22 1 4 "Average Difference" CA 89 1.149 0.040 1.155 19849 23 1 4 "Average Difference" CB 75 1.372 -0.358 1.333 19849 24 1 4 "Average Difference" HN 87 0.510 -0.016 0.513 19849 25 1 5 "Average Difference" N 87 3.330 0.249 3.340 19849 26 1 5 "Average Difference" HA 90 0.287 0.058 0.283 19849 27 1 5 "Average Difference" C 77 1.239 0.015 1.247 19849 28 1 5 "Average Difference" CA 89 1.242 0.050 1.248 19849 29 1 5 "Average Difference" CB 75 1.216 -0.335 1.177 19849 30 1 5 "Average Difference" HN 87 0.547 -0.072 0.545 19849 31 1 6 "Average Difference" N 87 3.205 0.033 3.223 19849 32 1 6 "Average Difference" HA 90 0.310 0.067 0.304 19849 33 1 6 "Average Difference" C 77 1.167 -0.017 1.175 19849 34 1 6 "Average Difference" CA 89 1.258 0.025 1.265 19849 35 1 6 "Average Difference" CB 75 1.169 -0.417 1.100 19849 36 1 6 "Average Difference" HN 87 0.572 -0.072 0.570 19849 37 1 7 "Average Difference" N 87 3.331 0.210 3.343 19849 38 1 7 "Average Difference" HA 90 0.296 0.058 0.292 19849 39 1 7 "Average Difference" C 77 1.269 -0.098 1.274 19849 40 1 7 "Average Difference" CA 89 1.271 -0.013 1.279 19849 41 1 7 "Average Difference" CB 75 1.438 -0.443 1.377 19849 42 1 7 "Average Difference" HN 87 0.510 -0.085 0.506 19849 43 1 8 "Average Difference" N 87 3.325 0.156 3.340 19849 44 1 8 "Average Difference" HA 90 0.308 0.071 0.301 19849 45 1 8 "Average Difference" C 77 1.234 -0.008 1.242 19849 46 1 8 "Average Difference" CA 89 1.244 -0.009 1.251 19849 47 1 8 "Average Difference" CB 75 1.274 -0.381 1.224 19849 48 1 8 "Average Difference" HN 87 0.537 -0.054 0.537 19849 49 1 9 "Average Difference" N 87 2.966 0.117 2.981 19849 50 1 9 "Average Difference" HA 90 0.300 0.059 0.295 19849 51 1 9 "Average Difference" C 77 1.264 0.023 1.272 19849 52 1 9 "Average Difference" CA 89 1.241 0.074 1.246 19849 53 1 9 "Average Difference" CB 75 1.262 -0.422 1.198 19849 54 1 9 "Average Difference" HN 87 0.524 -0.049 0.525 19849 55 1 10 "Average Difference" N 87 3.091 0.014 3.109 19849 56 1 10 "Average Difference" HA 90 0.288 0.071 0.280 19849 57 1 10 "Average Difference" C 77 1.211 -0.003 1.219 19849 58 1 10 "Average Difference" CA 89 1.144 -0.021 1.150 19849 59 1 10 "Average Difference" CB 75 1.286 -0.348 1.246 19849 60 1 10 "Average Difference" HN 87 0.519 -0.068 0.517 19849 61 1 11 "Average Difference" N 87 3.206 -0.075 3.224 19849 62 1 11 "Average Difference" HA 90 0.344 0.056 0.341 19849 63 1 11 "Average Difference" C 77 1.211 -0.052 1.218 19849 64 1 11 "Average Difference" CA 89 1.090 -0.028 1.096 19849 65 1 11 "Average Difference" CB 75 1.200 -0.302 1.169 19849 66 1 11 "Average Difference" HN 87 0.508 -0.082 0.504 19849 67 1 12 "Average Difference" N 87 3.325 0.051 3.344 19849 68 1 12 "Average Difference" HA 90 0.288 0.083 0.277 19849 69 1 12 "Average Difference" C 77 1.190 -0.026 1.197 19849 70 1 12 "Average Difference" CA 89 1.254 0.059 1.260 19849 71 1 12 "Average Difference" CB 75 1.288 -0.331 1.253 19849 72 1 12 "Average Difference" HN 87 0.544 -0.050 0.545 19849 73 1 13 "Average Difference" N 87 3.285 0.165 3.300 19849 74 1 13 "Average Difference" HA 90 0.288 0.056 0.284 19849 75 1 13 "Average Difference" C 77 1.262 -0.014 1.271 19849 76 1 13 "Average Difference" CA 89 1.274 0.086 1.279 19849 77 1 13 "Average Difference" CB 75 1.263 -0.319 1.230 19849 78 1 13 "Average Difference" HN 87 0.549 -0.059 0.549 19849 79 1 14 "Average Difference" N 87 3.253 0.139 3.268 19849 80 1 14 "Average Difference" HA 90 0.312 0.067 0.307 19849 81 1 14 "Average Difference" C 77 1.235 0.028 1.243 19849 82 1 14 "Average Difference" CA 89 1.165 -0.031 1.171 19849 83 1 14 "Average Difference" CB 75 1.291 -0.295 1.265 19849 84 1 14 "Average Difference" HN 87 0.528 -0.039 0.529 19849 85 1 15 "Average Difference" N 87 3.216 0.114 3.232 19849 86 1 15 "Average Difference" HA 90 0.285 0.062 0.280 19849 87 1 15 "Average Difference" C 77 1.209 -0.056 1.216 19849 88 1 15 "Average Difference" CA 89 1.260 0.042 1.267 19849 89 1 15 "Average Difference" CB 75 1.215 -0.314 1.181 19849 90 1 15 "Average Difference" HN 87 0.473 -0.033 0.475 19849 91 1 16 "Average Difference" N 87 3.127 0.171 3.141 19849 92 1 16 "Average Difference" HA 90 0.289 0.062 0.284 19849 93 1 16 "Average Difference" C 77 1.246 -0.021 1.254 19849 94 1 16 "Average Difference" CA 89 1.177 -0.018 1.183 19849 95 1 16 "Average Difference" CB 75 1.339 -0.413 1.282 19849 96 1 16 "Average Difference" HN 87 0.522 -0.047 0.523 19849 97 1 17 "Average Difference" N 87 3.317 -0.045 3.336 19849 98 1 17 "Average Difference" HA 90 0.282 0.073 0.274 19849 99 1 17 "Average Difference" C 77 1.273 -0.009 1.281 19849 100 1 17 "Average Difference" CA 89 1.223 0.005 1.230 19849 101 1 17 "Average Difference" CB 75 1.332 -0.367 1.289 19849 102 1 17 "Average Difference" HN 87 0.528 -0.069 0.526 19849 103 1 18 "Average Difference" N 87 3.294 0.036 3.313 19849 104 1 18 "Average Difference" HA 90 0.285 0.063 0.279 19849 105 1 18 "Average Difference" C 77 1.188 0.028 1.195 19849 106 1 18 "Average Difference" CA 89 1.259 0.031 1.266 19849 107 1 18 "Average Difference" CB 75 1.303 -0.417 1.243 19849 108 1 18 "Average Difference" HN 87 0.546 -0.064 0.545 19849 109 1 19 "Average Difference" N 87 3.230 -0.126 3.246 19849 110 1 19 "Average Difference" HA 90 0.356 0.075 0.350 19849 111 1 19 "Average Difference" C 77 1.164 0.072 1.170 19849 112 1 19 "Average Difference" CA 89 1.261 0.036 1.268 19849 113 1 19 "Average Difference" CB 75 1.163 -0.236 1.147 19849 114 1 19 "Average Difference" HN 87 0.521 -0.077 0.518 19849 115 1 20 "Average Difference" N 87 3.034 0.097 3.050 19849 116 1 20 "Average Difference" HA 90 0.297 0.067 0.291 19849 117 1 20 "Average Difference" C 77 1.262 -0.050 1.270 19849 118 1 20 "Average Difference" CA 89 1.139 -0.013 1.145 19849 119 1 20 "Average Difference" CB 75 1.267 -0.349 1.227 19849 120 1 20 "Average Difference" HN 87 0.512 -0.057 0.512 19849 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 19849 _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 VAL N N 2 120.462 120.462 123.317 -2.855 19849 2 1 . 1 1 2 2 VAL HA H 2 4.508 4.508 4.545 -0.038 19849 3 1 . 1 1 2 2 VAL C C 2 174.797 174.797 174.227 0.570 19849 4 1 . 1 1 2 2 VAL CA C 2 61.285 61.285 61.382 -0.097 19849 5 1 . 1 1 2 2 VAL CB C 2 33.821 33.821 34.994 -1.173 19849 6 1 . 1 1 2 2 VAL H H 2 8.729 8.729 8.467 0.262 19849 7 1 . 1 1 3 3 THR N N 3 113.531 113.531 117.357 -3.827 19849 8 1 . 1 1 3 3 THR HA H 3 4.794 4.794 4.786 0.008 19849 9 1 . 1 1 3 3 THR C C 3 175.419 175.419 174.810 0.609 19849 10 1 . 1 1 3 3 THR CA C 3 59.466 59.466 60.309 -0.843 19849 11 1 . 1 1 3 3 THR H H 3 7.740 7.740 8.245 -0.505 19849 12 1 . 1 1 4 4 LYS N N 4 121.981 121.981 123.104 -1.123 19849 13 1 . 1 1 4 4 LYS HA H 4 3.437 3.437 3.631 -0.194 19849 14 1 . 1 1 4 4 LYS C C 4 177.186 177.186 177.656 -0.470 19849 15 1 . 1 1 4 4 LYS CA C 4 59.716 59.716 58.848 0.868 19849 16 1 . 1 1 4 4 LYS CB C 4 33.210 33.210 32.108 1.102 19849 17 1 . 1 1 4 4 LYS H H 4 9.168 9.168 8.923 0.245 19849 18 1 . 1 1 5 5 GLU N N 5 117.723 117.723 117.742 -0.019 19849 19 1 . 1 1 5 5 GLU HA H 5 4.052 4.052 4.059 -0.007 19849 20 1 . 1 1 5 5 GLU C C 5 179.351 179.351 178.626 0.725 19849 21 1 . 1 1 5 5 GLU CA C 5 60.508 60.508 59.310 1.198 19849 22 1 . 1 1 5 5 GLU CB C 5 28.394 28.394 29.188 -0.794 19849 23 1 . 1 1 5 5 GLU H H 5 8.835 8.835 8.537 0.298 19849 24 1 . 1 1 6 6 GLN N N 6 122.133 122.133 118.249 3.884 19849 25 1 . 1 1 6 6 GLN HA H 6 4.009 4.009 4.176 -0.167 19849 26 1 . 1 1 6 6 GLN C C 6 178.109 178.109 177.976 0.133 19849 27 1 . 1 1 6 6 GLN CA C 6 58.878 58.878 58.314 0.564 19849 28 1 . 1 1 6 6 GLN CB C 6 28.873 28.873 28.070 0.803 19849 29 1 . 1 1 6 6 GLN H H 6 7.867 7.867 7.678 0.189 19849 30 1 . 1 1 7 7 VAL N N 7 120.130 120.130 121.367 -1.237 19849 31 1 . 1 1 7 7 VAL HA H 7 3.137 3.137 3.584 -0.447 19849 32 1 . 1 1 7 7 VAL C C 7 177.807 177.807 177.973 -0.166 19849 33 1 . 1 1 7 7 VAL CA C 7 66.513 66.513 66.271 0.242 19849 34 1 . 1 1 7 7 VAL CB C 7 31.241 31.241 30.746 0.495 19849 35 1 . 1 1 7 7 VAL H H 7 7.447 7.447 7.330 0.117 19849 36 1 . 1 1 8 8 GLU N N 8 117.342 117.342 120.070 -2.728 19849 37 1 . 1 1 8 8 GLU HA H 8 3.570 3.570 3.900 -0.330 19849 38 1 . 1 1 8 8 GLU C C 8 174.166 174.166 178.556 -4.390 19849 39 1 . 1 1 8 8 GLU CA C 8 59.699 59.699 59.673 0.026 19849 40 1 . 1 1 8 8 GLU CB C 8 29.844 29.844 28.984 0.860 19849 41 1 . 1 1 8 8 GLU H H 8 8.529 8.529 8.260 0.269 19849 42 1 . 1 1 9 9 ALA N N 9 124.344 124.344 120.621 3.723 19849 43 1 . 1 1 9 9 ALA HA H 9 4.420 4.420 4.183 0.237 19849 44 1 . 1 1 9 9 ALA C C 9 177.996 177.996 179.547 -1.551 19849 45 1 . 1 1 9 9 ALA CA C 9 55.523 55.523 54.685 0.838 19849 46 1 . 1 1 9 9 ALA H H 9 8.301 8.301 7.586 0.715 19849 47 1 . 1 1 10 10 SER N N 10 117.198 117.198 115.830 1.368 19849 48 1 . 1 1 10 10 SER HA H 10 4.374 4.374 4.219 0.155 19849 49 1 . 1 1 10 10 SER C C 10 175.219 175.219 176.529 -1.310 19849 50 1 . 1 1 10 10 SER CA C 10 62.207 62.207 61.973 0.234 19849 51 1 . 1 1 10 10 SER H H 10 8.303 8.303 7.823 0.480 19849 52 1 . 1 1 11 11 LEU N N 11 118.287 118.287 121.318 -3.031 19849 53 1 . 1 1 11 11 LEU HA H 11 3.814 3.814 4.109 -0.295 19849 54 1 . 1 1 11 11 LEU C C 11 179.247 179.247 178.921 0.326 19849 55 1 . 1 1 11 11 LEU CA C 11 58.209 58.209 57.807 0.402 19849 56 1 . 1 1 11 11 LEU CB C 11 42.528 42.528 41.348 1.180 19849 57 1 . 1 1 11 11 LEU H H 11 7.973 7.973 8.459 -0.486 19849 58 1 . 1 1 12 12 THR N N 12 116.416 116.416 114.225 2.191 19849 59 1 . 1 1 12 12 THR HA H 12 3.530 3.530 4.001 -0.471 19849 60 1 . 1 1 12 12 THR C C 12 176.464 176.464 176.046 0.417 19849 61 1 . 1 1 12 12 THR CA C 12 67.016 67.016 66.322 0.694 19849 62 1 . 1 1 12 12 THR CB C 12 68.586 68.586 68.274 0.312 19849 63 1 . 1 1 12 12 THR H H 12 8.440 8.440 7.832 0.608 19849 64 1 . 1 1 13 13 SER N N 13 115.144 115.144 116.694 -1.550 19849 65 1 . 1 1 13 13 SER HA H 13 4.105 4.105 4.398 -0.293 19849 66 1 . 1 1 13 13 SER C C 13 176.285 176.285 175.444 0.841 19849 67 1 . 1 1 13 13 SER CA C 13 61.032 61.032 61.071 -0.039 19849 68 1 . 1 1 13 13 SER CB C 13 63.045 63.045 63.462 -0.417 19849 69 1 . 1 1 13 13 SER H H 13 8.022 8.022 7.593 0.429 19849 70 1 . 1 1 14 14 LYS N N 14 116.028 116.028 119.897 -3.869 19849 71 1 . 1 1 14 14 LYS HA H 14 4.310 4.310 4.248 0.062 19849 72 1 . 1 1 14 14 LYS C C 14 178.041 178.041 177.579 0.462 19849 73 1 . 1 1 14 14 LYS CA C 14 57.842 57.842 58.239 -0.397 19849 74 1 . 1 1 14 14 LYS CB C 14 33.857 33.857 33.110 0.747 19849 75 1 . 1 1 14 14 LYS H H 14 7.466 7.466 7.793 -0.327 19849 76 1 . 1 1 15 15 LEU N N 15 114.405 114.405 117.058 -2.653 19849 77 1 . 1 1 15 15 LEU HA H 15 4.419 4.419 4.441 -0.022 19849 78 1 . 1 1 15 15 LEU CA C 15 53.924 53.924 53.793 0.131 19849 79 1 . 1 1 15 15 LEU CB C 15 42.360 42.360 43.269 -0.909 19849 80 1 . 1 1 15 15 LEU H H 15 7.842 7.842 7.992 -0.150 19849 81 1 . 1 1 16 16 LYS N N 16 116.513 116.513 116.692 -0.179 19849 82 1 . 1 1 16 16 LYS HA H 16 4.120 4.120 4.205 -0.085 19849 83 1 . 1 1 16 16 LYS CA C 16 56.297 56.297 56.448 -0.151 19849 84 1 . 1 1 16 16 LYS H H 16 7.421 7.421 7.453 -0.032 19849 85 1 . 1 1 17 17 PRO C C 17 177.159 177.159 175.558 1.601 19849 86 1 . 1 1 17 17 PRO CA C 17 62.895 62.895 63.380 -0.485 19849 87 1 . 1 1 17 17 PRO CB C 17 33.307 33.307 30.459 2.848 19849 88 1 . 1 1 18 18 ILE N N 18 116.671 116.671 120.691 -4.020 19849 89 1 . 1 1 18 18 ILE HA H 18 4.294 4.294 4.125 0.169 19849 90 1 . 1 1 18 18 ILE C C 18 175.085 175.085 176.462 -1.377 19849 91 1 . 1 1 18 18 ILE CA C 18 61.027 61.027 62.035 -1.008 19849 92 1 . 1 1 18 18 ILE CB C 18 39.016 39.016 38.344 0.672 19849 93 1 . 1 1 18 18 ILE H H 18 7.917 7.917 8.044 -0.127 19849 94 1 . 1 1 19 19 HIS N N 19 117.574 117.574 118.745 -1.171 19849 95 1 . 1 1 19 19 HIS HA H 19 4.442 4.442 4.712 -0.270 19849 96 1 . 1 1 19 19 HIS C C 19 171.727 171.727 172.935 -1.208 19849 97 1 . 1 1 19 19 HIS CA C 19 56.374 56.374 55.476 0.898 19849 98 1 . 1 1 19 19 HIS CB C 19 32.559 32.559 30.887 1.672 19849 99 1 . 1 1 19 19 HIS H H 19 6.968 6.968 7.853 -0.885 19849 100 1 . 1 1 20 20 LEU N N 20 128.803 128.803 127.232 1.571 19849 101 1 . 1 1 20 20 LEU HA H 20 4.806 4.806 5.161 -0.355 19849 102 1 . 1 1 20 20 LEU C C 20 173.636 173.636 175.703 -2.067 19849 103 1 . 1 1 20 20 LEU CA C 20 53.424 53.424 53.934 -0.510 19849 104 1 . 1 1 20 20 LEU CB C 20 45.564 45.564 44.435 1.129 19849 105 1 . 1 1 20 20 LEU H H 20 7.928 7.928 8.254 -0.326 19849 106 1 . 1 1 21 21 GLU N N 21 125.639 125.639 125.034 0.605 19849 107 1 . 1 1 21 21 GLU HA H 21 4.510 4.510 4.588 -0.078 19849 108 1 . 1 1 21 21 GLU C C 21 174.143 174.143 174.973 -0.830 19849 109 1 . 1 1 21 21 GLU CA C 21 55.709 55.709 55.086 0.623 19849 110 1 . 1 1 21 21 GLU CB C 21 33.593 33.593 31.635 1.958 19849 111 1 . 1 1 21 21 GLU H H 21 8.703 8.703 8.344 0.359 19849 112 1 . 1 1 22 22 VAL N N 22 126.675 126.675 121.028 5.647 19849 113 1 . 1 1 22 22 VAL HA H 22 4.617 4.617 4.913 -0.296 19849 114 1 . 1 1 22 22 VAL C C 22 173.843 173.843 174.874 -1.031 19849 115 1 . 1 1 22 22 VAL CA C 22 61.359 61.359 60.391 0.968 19849 116 1 . 1 1 22 22 VAL CB C 22 33.671 33.671 33.182 0.489 19849 117 1 . 1 1 22 22 VAL H H 22 8.936 8.936 8.392 0.544 19849 118 1 . 1 1 23 23 ILE N N 23 126.078 126.078 125.986 0.092 19849 119 1 . 1 1 23 23 ILE HA H 23 4.473 4.473 4.425 0.048 19849 120 1 . 1 1 23 23 ILE C C 23 175.007 175.007 174.926 0.082 19849 121 1 . 1 1 23 23 ILE CA C 23 59.446 59.446 59.462 -0.016 19849 122 1 . 1 1 23 23 ILE CB C 23 41.237 41.237 38.445 2.792 19849 123 1 . 1 1 23 23 ILE H H 23 9.099 9.099 8.433 0.666 19849 124 1 . 1 1 24 24 ASP N N 24 127.026 127.026 128.887 -1.861 19849 125 1 . 1 1 24 24 ASP HA H 24 4.610 4.610 4.710 -0.100 19849 126 1 . 1 1 24 24 ASP C C 24 176.888 176.888 176.367 0.521 19849 127 1 . 1 1 24 24 ASP CA C 24 53.864 53.864 55.302 -1.438 19849 128 1 . 1 1 24 24 ASP CB C 24 41.032 41.032 41.031 0.001 19849 129 1 . 1 1 24 24 ASP H H 24 9.152 9.152 8.858 0.294 19849 130 1 . 1 1 25 25 ILE N N 25 123.148 123.148 125.755 -2.607 19849 131 1 . 1 1 25 25 ILE HA H 25 4.592 4.592 4.310 0.282 19849 132 1 . 1 1 25 25 ILE C C 25 175.765 175.765 176.029 -0.264 19849 133 1 . 1 1 25 25 ILE CA C 25 61.112 61.112 61.123 -0.011 19849 134 1 . 1 1 25 25 ILE CB C 25 36.913 36.913 38.018 -1.105 19849 135 1 . 1 1 25 25 ILE H H 25 7.915 7.915 8.017 -0.102 19849 136 1 . 1 1 26 26 SER N N 26 119.373 119.373 114.995 4.378 19849 137 1 . 1 1 26 26 SER HA H 26 4.520 4.520 4.598 -0.078 19849 138 1 . 1 1 26 26 SER C C 26 175.488 175.488 174.641 0.847 19849 139 1 . 1 1 26 26 SER CA C 26 58.030 58.030 58.582 -0.552 19849 140 1 . 1 1 26 26 SER CB C 26 64.605 64.605 64.777 -0.172 19849 141 1 . 1 1 26 26 SER H H 26 9.175 9.175 8.389 0.786 19849 142 1 . 1 1 27 27 GLY N N 27 111.902 111.902 109.731 2.171 19849 143 1 . 1 1 27 27 GLY C C 27 175.418 175.418 173.606 1.812 19849 144 1 . 1 1 27 27 GLY CA C 27 46.435 46.435 45.486 0.949 19849 145 1 . 1 1 27 27 GLY H H 27 8.417 8.417 8.036 0.381 19849 146 1 . 1 1 28 28 GLY N N 28 106.936 106.936 108.066 -1.130 19849 147 1 . 1 1 28 28 GLY C C 28 177.627 177.627 174.935 2.692 19849 148 1 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.557 0.071 19849 149 1 . 1 1 28 28 GLY H H 28 7.864 7.864 8.295 -0.430 19849 150 1 . 1 1 29 29 CYS N N 29 116.829 116.829 118.806 -1.977 19849 151 1 . 1 1 29 29 CYS HA H 29 4.363 4.363 4.602 -0.239 19849 152 1 . 1 1 29 29 CYS CA C 29 59.440 59.440 59.648 -0.208 19849 153 1 . 1 1 29 29 CYS CB C 29 27.858 27.858 28.037 -0.179 19849 154 1 . 1 1 29 29 CYS H H 29 7.380 7.380 8.010 -0.630 19849 155 1 . 1 1 30 30 GLY N N 30 111.626 111.626 107.965 3.661 19849 156 1 . 1 1 30 30 GLY C C 30 173.383 173.383 173.991 -0.608 19849 157 1 . 1 1 30 30 GLY CA C 30 46.086 46.086 44.700 1.385 19849 158 1 . 1 1 30 30 GLY H H 30 8.965 8.965 8.197 0.768 19849 159 1 . 1 1 31 31 SER N N 31 111.735 111.735 116.581 -4.846 19849 160 1 . 1 1 31 31 SER HA H 31 4.639 4.639 4.062 0.577 19849 161 1 . 1 1 31 31 SER C C 31 174.246 174.246 173.530 0.716 19849 162 1 . 1 1 31 31 SER CA C 31 58.203 58.203 58.826 -0.623 19849 163 1 . 1 1 31 31 SER CB C 31 64.459 64.459 63.261 1.198 19849 164 1 . 1 1 31 31 SER H H 31 8.220 8.220 7.831 0.389 19849 165 1 . 1 1 32 32 SER N N 32 116.259 116.259 121.020 -4.761 19849 166 1 . 1 1 32 32 SER HA H 32 5.346 5.346 4.833 0.513 19849 167 1 . 1 1 32 32 SER C C 32 176.363 176.363 172.783 3.580 19849 168 1 . 1 1 32 32 SER CA C 32 57.400 57.400 57.745 -0.345 19849 169 1 . 1 1 32 32 SER CB C 32 62.866 62.866 64.770 -1.904 19849 170 1 . 1 1 32 32 SER H H 32 7.253 7.253 8.245 -0.992 19849 171 1 . 1 1 33 33 PHE N N 33 118.533 118.533 123.887 -5.354 19849 172 1 . 1 1 33 33 PHE HA H 33 5.656 5.656 5.028 0.628 19849 173 1 . 1 1 33 33 PHE C C 33 174.163 174.163 175.103 -0.940 19849 174 1 . 1 1 33 33 PHE CA C 33 56.382 56.382 56.224 0.158 19849 175 1 . 1 1 33 33 PHE CB C 33 44.450 44.450 41.978 2.472 19849 176 1 . 1 1 33 33 PHE H H 33 7.995 7.995 9.079 -1.084 19849 177 1 . 1 1 34 34 GLU N N 34 122.301 122.301 123.333 -1.032 19849 178 1 . 1 1 34 34 GLU HA H 34 5.560 5.560 4.925 0.635 19849 179 1 . 1 1 34 34 GLU C C 34 175.902 175.902 175.685 0.217 19849 180 1 . 1 1 34 34 GLU CA C 34 54.376 54.376 55.192 -0.816 19849 181 1 . 1 1 34 34 GLU CB C 34 33.543 33.543 30.403 3.140 19849 182 1 . 1 1 34 34 GLU H H 34 9.436 9.436 8.652 0.783 19849 183 1 . 1 1 35 35 VAL N N 35 118.350 118.350 125.269 -6.919 19849 184 1 . 1 1 35 35 VAL HA H 35 5.369 5.369 4.765 0.604 19849 185 1 . 1 1 35 35 VAL C C 35 174.616 174.616 174.272 0.344 19849 186 1 . 1 1 35 35 VAL CA C 35 59.364 59.364 59.765 -0.402 19849 187 1 . 1 1 35 35 VAL CB C 35 36.178 36.178 34.688 1.490 19849 188 1 . 1 1 35 35 VAL H H 35 8.784 8.784 8.880 -0.096 19849 189 1 . 1 1 36 36 GLU N N 36 123.537 123.537 128.039 -4.502 19849 190 1 . 1 1 36 36 GLU HA H 36 4.969 4.969 4.740 0.229 19849 191 1 . 1 1 36 36 GLU C C 36 174.745 174.745 175.189 -0.444 19849 192 1 . 1 1 36 36 GLU CA C 36 55.191 55.191 54.992 0.200 19849 193 1 . 1 1 36 36 GLU CB C 36 33.086 33.086 31.405 1.681 19849 194 1 . 1 1 36 36 GLU H H 36 8.859 8.859 8.470 0.389 19849 195 1 . 1 1 37 37 VAL N N 37 120.272 120.272 125.296 -5.024 19849 196 1 . 1 1 37 37 VAL HA H 37 4.612 4.612 5.265 -0.653 19849 197 1 . 1 1 37 37 VAL C C 37 172.679 172.679 174.762 -2.083 19849 198 1 . 1 1 37 37 VAL CA C 37 60.290 60.290 60.197 0.093 19849 199 1 . 1 1 37 37 VAL CB C 37 35.021 35.021 34.684 0.337 19849 200 1 . 1 1 37 37 VAL H H 37 8.497 8.497 9.052 -0.555 19849 201 1 . 1 1 38 38 VAL N N 38 127.971 127.971 126.448 1.523 19849 202 1 . 1 1 38 38 VAL HA H 38 5.257 5.257 5.300 -0.043 19849 203 1 . 1 1 38 38 VAL C C 38 175.842 175.842 174.623 1.219 19849 204 1 . 1 1 38 38 VAL CA C 38 59.474 59.474 60.683 -1.209 19849 205 1 . 1 1 38 38 VAL CB C 38 33.115 33.115 32.075 1.040 19849 206 1 . 1 1 38 38 VAL H H 38 8.169 8.169 8.517 -0.348 19849 207 1 . 1 1 39 39 SER N N 39 117.426 117.426 119.649 -2.223 19849 208 1 . 1 1 39 39 SER HA H 39 4.821 4.821 4.729 0.092 19849 209 1 . 1 1 39 39 SER C C 39 175.323 175.323 174.231 1.092 19849 210 1 . 1 1 39 39 SER CA C 39 55.888 55.888 55.782 0.106 19849 211 1 . 1 1 39 39 SER CB C 39 64.183 64.183 65.624 -1.441 19849 212 1 . 1 1 39 39 SER H H 39 8.304 8.304 7.924 0.380 19849 213 1 . 1 1 40 40 GLU N N 40 131.571 131.571 122.975 8.596 19849 214 1 . 1 1 40 40 GLU HA H 40 4.119 4.119 4.038 0.081 19849 215 1 . 1 1 40 40 GLU C C 40 177.887 177.887 177.110 0.777 19849 216 1 . 1 1 40 40 GLU CA C 40 58.681 58.681 58.654 0.027 19849 217 1 . 1 1 40 40 GLU CB C 40 29.630 29.630 29.097 0.533 19849 218 1 . 1 1 40 40 GLU H H 40 9.911 9.911 9.016 0.895 19849 219 1 . 1 1 41 41 GLN N N 41 117.534 117.534 117.520 0.014 19849 220 1 . 1 1 41 41 GLN HA H 41 3.984 3.984 4.179 -0.195 19849 221 1 . 1 1 41 41 GLN C C 41 176.391 176.391 175.539 0.852 19849 222 1 . 1 1 41 41 GLN CA C 41 57.443 57.443 56.948 0.495 19849 223 1 . 1 1 41 41 GLN CB C 41 27.903 27.903 27.861 0.042 19849 224 1 . 1 1 41 41 GLN H H 41 8.219 8.219 7.890 0.329 19849 225 1 . 1 1 42 42 PHE N N 42 113.224 113.224 116.125 -2.901 19849 226 1 . 1 1 42 42 PHE HA H 42 4.526 4.526 4.729 -0.203 19849 227 1 . 1 1 42 42 PHE C C 42 175.064 175.064 174.892 0.172 19849 228 1 . 1 1 42 42 PHE CA C 42 54.139 54.139 54.435 -0.296 19849 229 1 . 1 1 42 42 PHE CB C 42 37.636 37.636 38.833 -1.197 19849 230 1 . 1 1 42 42 PHE H H 42 6.894 6.894 7.763 -0.868 19849 231 1 . 1 1 43 43 GLU N N 43 121.136 121.136 122.000 -0.864 19849 232 1 . 1 1 43 43 GLU HA H 43 3.967 3.967 4.343 -0.376 19849 233 1 . 1 1 43 43 GLU CA C 43 58.361 58.361 56.097 2.264 19849 234 1 . 1 1 43 43 GLU CB C 43 29.234 29.234 28.788 0.446 19849 235 1 . 1 1 43 43 GLU H H 43 7.469 7.469 7.473 -0.004 19849 236 1 . 1 1 44 44 GLY N N 44 114.819 114.819 116.542 -1.723 19849 237 1 . 1 1 44 44 GLY C C 44 174.101 174.101 174.402 -0.301 19849 238 1 . 1 1 44 44 GLY CA C 44 45.625 45.625 46.126 -0.501 19849 239 1 . 1 1 44 44 GLY H H 44 9.014 9.014 8.729 0.285 19849 240 1 . 1 1 45 45 LYS N N 45 118.678 118.678 119.890 -1.212 19849 241 1 . 1 1 45 45 LYS HA H 45 4.689 4.689 4.567 0.122 19849 242 1 . 1 1 45 45 LYS C C 45 177.858 177.858 176.234 1.624 19849 243 1 . 1 1 45 45 LYS CA C 45 53.561 53.561 54.745 -1.184 19849 244 1 . 1 1 45 45 LYS CB C 45 33.441 33.441 34.010 -0.569 19849 245 1 . 1 1 45 45 LYS H H 45 7.932 7.932 7.507 0.425 19849 246 1 . 1 1 46 46 ARG N N 46 125.430 125.430 121.442 3.988 19849 247 1 . 1 1 46 46 ARG HA H 46 4.293 4.293 4.437 -0.144 19849 248 1 . 1 1 46 46 ARG CA C 46 55.779 55.779 55.083 0.696 19849 249 1 . 1 1 46 46 ARG H H 46 9.288 9.288 8.642 0.646 19849 250 1 . 1 1 47 47 LEU N N 47 124.205 124.205 124.663 -0.459 19849 251 1 . 1 1 47 47 LEU HA H 47 3.702 3.702 3.648 0.054 19849 252 1 . 1 1 47 47 LEU C C 47 178.476 178.476 178.541 -0.065 19849 253 1 . 1 1 47 47 LEU CA C 47 60.689 60.689 58.393 2.296 19849 254 1 . 1 1 47 47 LEU H H 47 8.320 8.320 8.884 -0.564 19849 255 1 . 1 1 48 48 LEU N N 48 115.874 115.874 118.609 -2.735 19849 256 1 . 1 1 48 48 LEU HA H 48 3.772 3.772 4.111 -0.339 19849 257 1 . 1 1 48 48 LEU C C 48 179.985 179.985 178.986 0.999 19849 258 1 . 1 1 48 48 LEU CA C 48 58.623 58.623 57.992 0.631 19849 259 1 . 1 1 48 48 LEU H H 48 8.587 8.587 8.047 0.540 19849 260 1 . 1 1 49 49 GLU N N 49 118.216 118.216 118.577 -0.361 19849 261 1 . 1 1 49 49 GLU HA H 49 4.108 4.108 4.009 0.099 19849 262 1 . 1 1 49 49 GLU C C 49 177.944 177.944 179.441 -1.497 19849 263 1 . 1 1 49 49 GLU CA C 49 58.418 58.418 59.142 -0.724 19849 264 1 . 1 1 49 49 GLU H H 49 6.964 6.964 7.936 -0.973 19849 265 1 . 1 1 50 50 ARG N N 50 119.674 119.674 119.875 -0.201 19849 266 1 . 1 1 50 50 ARG HA H 50 3.917 3.917 4.274 -0.357 19849 267 1 . 1 1 50 50 ARG CA C 50 59.074 59.074 59.627 -0.553 19849 268 1 . 1 1 50 50 ARG CB C 50 29.011 29.011 30.029 -1.018 19849 269 1 . 1 1 50 50 ARG H H 50 7.991 7.991 8.351 -0.360 19849 270 1 . 1 1 51 51 HIS N N 51 117.056 117.056 117.858 -0.802 19849 271 1 . 1 1 51 51 HIS HA H 51 3.996 3.996 4.403 -0.407 19849 272 1 . 1 1 51 51 HIS C C 51 176.638 176.638 177.858 -1.220 19849 273 1 . 1 1 51 51 HIS H H 51 8.294 8.294 8.123 0.172 19849 274 1 . 1 1 52 52 ARG N N 52 120.626 120.626 119.383 1.243 19849 275 1 . 1 1 52 52 ARG HA H 52 4.218 4.218 4.133 0.085 19849 276 1 . 1 1 52 52 ARG C C 52 179.014 179.014 177.513 1.501 19849 277 1 . 1 1 52 52 ARG CA C 52 59.992 59.992 58.829 1.163 19849 278 1 . 1 1 52 52 ARG CB C 52 29.559 29.559 30.194 -0.635 19849 279 1 . 1 1 52 52 ARG H H 52 8.001 8.001 8.344 -0.343 19849 280 1 . 1 1 53 53 MET N N 53 119.087 119.087 117.901 1.186 19849 281 1 . 1 1 53 53 MET HA H 53 4.006 4.006 4.472 -0.465 19849 282 1 . 1 1 53 53 MET C C 53 179.286 179.286 177.880 1.406 19849 283 1 . 1 1 53 53 MET CA C 53 59.404 59.404 57.255 2.149 19849 284 1 . 1 1 53 53 MET CB C 53 34.976 34.976 33.101 1.875 19849 285 1 . 1 1 53 53 MET H H 53 8.162 8.162 7.639 0.523 19849 286 1 . 1 1 54 54 VAL N N 54 120.886 120.886 120.122 0.764 19849 287 1 . 1 1 54 54 VAL HA H 54 3.425 3.425 3.700 -0.275 19849 288 1 . 1 1 54 54 VAL C C 54 176.296 176.296 177.798 -1.502 19849 289 1 . 1 1 54 54 VAL CA C 54 66.833 66.833 66.210 0.623 19849 290 1 . 1 1 54 54 VAL CB C 54 31.444 31.444 32.103 -0.659 19849 291 1 . 1 1 54 54 VAL H H 54 7.790 7.790 8.134 -0.344 19849 292 1 . 1 1 55 55 ASN N N 55 116.881 116.881 117.934 -1.053 19849 293 1 . 1 1 55 55 ASN HA H 55 4.013 4.013 4.554 -0.541 19849 294 1 . 1 1 55 55 ASN C C 55 178.422 178.422 176.735 1.687 19849 295 1 . 1 1 55 55 ASN CA C 55 57.129 57.129 55.254 1.875 19849 296 1 . 1 1 55 55 ASN CB C 55 38.867 38.867 38.429 0.438 19849 297 1 . 1 1 55 55 ASN H H 55 8.032 8.032 8.421 -0.389 19849 298 1 . 1 1 56 56 ALA N N 56 121.164 121.164 122.323 -1.159 19849 299 1 . 1 1 56 56 ALA HA H 56 4.083 4.083 4.144 -0.061 19849 300 1 . 1 1 56 56 ALA C C 56 180.700 180.700 178.583 2.117 19849 301 1 . 1 1 56 56 ALA CA C 56 54.600 54.600 54.515 0.085 19849 302 1 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.230 0.032 19849 303 1 . 1 1 56 56 ALA H H 56 8.578 8.578 7.743 0.835 19849 304 1 . 1 1 57 57 ALA N N 57 121.156 121.156 118.871 2.285 19849 305 1 . 1 1 57 57 ALA HA H 57 4.032 4.032 4.383 -0.351 19849 306 1 . 1 1 57 57 ALA C C 57 177.240 177.240 177.388 -0.148 19849 307 1 . 1 1 57 57 ALA CA C 57 54.087 54.087 53.731 0.356 19849 308 1 . 1 1 57 57 ALA CB C 57 18.462 18.462 19.210 -0.748 19849 309 1 . 1 1 57 57 ALA H H 57 7.609 7.609 7.542 0.067 19849 310 1 . 1 1 58 58 LEU N N 58 116.065 116.065 116.605 -0.540 19849 311 1 . 1 1 58 58 LEU HA H 58 4.895 4.895 4.735 0.160 19849 312 1 . 1 1 58 58 LEU C C 58 176.446 176.446 177.482 -1.036 19849 313 1 . 1 1 58 58 LEU CA C 58 52.521 52.521 54.932 -2.411 19849 314 1 . 1 1 58 58 LEU CB C 58 42.753 42.753 42.704 0.049 19849 315 1 . 1 1 58 58 LEU H H 58 6.995 6.995 7.477 -0.482 19849 316 1 . 1 1 59 59 GLU N N 59 120.288 120.288 121.874 -1.585 19849 317 1 . 1 1 59 59 GLU HA H 59 3.774 3.774 4.006 -0.232 19849 318 1 . 1 1 59 59 GLU CA C 59 60.736 60.736 60.038 0.698 19849 319 1 . 1 1 59 59 GLU CB C 59 30.007 30.007 29.414 0.593 19849 320 1 . 1 1 59 59 GLU H H 59 7.034 7.034 8.170 -1.136 19849 321 1 . 1 1 60 60 GLU N N 60 116.322 116.322 118.075 -1.753 19849 322 1 . 1 1 60 60 GLU HA H 60 4.030 4.030 4.082 -0.052 19849 323 1 . 1 1 60 60 GLU C C 60 179.270 179.270 178.471 0.799 19849 324 1 . 1 1 60 60 GLU CA C 60 58.693 58.693 59.087 -0.394 19849 325 1 . 1 1 60 60 GLU CB C 60 29.316 29.316 28.538 0.778 19849 326 1 . 1 1 60 60 GLU H H 60 8.622 8.622 8.655 -0.033 19849 327 1 . 1 1 61 61 GLU N N 61 121.506 121.506 119.533 1.973 19849 328 1 . 1 1 61 61 GLU HA H 61 3.890 3.890 4.105 -0.215 19849 329 1 . 1 1 61 61 GLU C C 61 179.010 179.010 178.300 0.710 19849 330 1 . 1 1 61 61 GLU CA C 61 60.962 60.962 59.105 1.857 19849 331 1 . 1 1 61 61 GLU CB C 61 28.475 28.475 29.132 -0.656 19849 332 1 . 1 1 61 61 GLU H H 61 8.946 8.946 8.068 0.878 19849 333 1 . 1 1 62 62 MET N N 62 116.213 116.213 117.720 -1.506 19849 334 1 . 1 1 62 62 MET HA H 62 4.312 4.312 4.178 0.134 19849 335 1 . 1 1 62 62 MET CA C 62 56.302 56.302 58.457 -2.155 19849 336 1 . 1 1 62 62 MET CB C 62 30.553 30.553 32.704 -2.151 19849 337 1 . 1 1 62 62 MET H H 62 8.693 8.693 8.126 0.567 19849 338 1 . 1 1 63 63 LYS N N 63 116.969 116.969 115.432 1.537 19849 339 1 . 1 1 63 63 LYS HA H 63 4.085 4.085 4.188 -0.103 19849 340 1 . 1 1 63 63 LYS C C 63 177.541 177.541 177.830 -0.289 19849 341 1 . 1 1 63 63 LYS CA C 63 58.728 58.728 57.672 1.056 19849 342 1 . 1 1 63 63 LYS CB C 63 32.525 32.525 32.272 0.253 19849 343 1 . 1 1 63 63 LYS H H 63 7.470 7.470 7.502 -0.032 19849 344 1 . 1 1 64 64 GLU N N 64 115.556 115.556 118.656 -3.100 19849 345 1 . 1 1 64 64 GLU HA H 64 4.465 4.465 4.334 0.131 19849 346 1 . 1 1 64 64 GLU C C 64 175.679 175.679 176.725 -1.046 19849 347 1 . 1 1 64 64 GLU CA C 64 55.603 55.603 56.806 -1.203 19849 348 1 . 1 1 64 64 GLU CB C 64 32.270 32.270 31.095 1.175 19849 349 1 . 1 1 64 64 GLU H H 64 7.773 7.773 7.756 0.017 19849 350 1 . 1 1 65 65 ILE N N 65 120.461 120.461 114.294 6.167 19849 351 1 . 1 1 65 65 ILE HA H 65 4.079 4.079 4.409 -0.330 19849 352 1 . 1 1 65 65 ILE CA C 65 61.708 61.708 59.455 2.253 19849 353 1 . 1 1 65 65 ILE CB C 65 40.082 40.082 39.974 0.107 19849 354 1 . 1 1 65 65 ILE H H 65 7.502 7.502 7.581 -0.079 19849 355 1 . 1 1 66 66 HIS N N 66 125.683 125.683 118.740 6.943 19849 356 1 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.665 -0.120 19849 357 1 . 1 1 66 66 HIS CA C 66 57.683 57.683 56.090 1.593 19849 358 1 . 1 1 66 66 HIS CB C 66 30.277 30.277 31.793 -1.516 19849 359 1 . 1 1 66 66 HIS H H 66 9.196 9.196 8.173 1.023 19849 360 1 . 1 1 67 67 ALA N N 67 120.229 120.229 120.585 -0.356 19849 361 1 . 1 1 67 67 ALA HA H 67 4.424 4.424 4.401 0.023 19849 362 1 . 1 1 67 67 ALA C C 67 173.834 173.834 174.909 -1.075 19849 363 1 . 1 1 67 67 ALA CA C 67 52.149 52.149 52.187 -0.038 19849 364 1 . 1 1 67 67 ALA CB C 67 21.441 21.441 20.832 0.609 19849 365 1 . 1 1 67 67 ALA H H 67 7.493 7.493 7.796 -0.303 19849 366 1 . 1 1 68 68 LEU N N 68 124.546 124.546 123.976 0.570 19849 367 1 . 1 1 68 68 LEU HA H 68 4.994 4.994 5.238 -0.244 19849 368 1 . 1 1 68 68 LEU C C 68 175.157 175.157 175.984 -0.827 19849 369 1 . 1 1 68 68 LEU CA C 68 53.191 53.191 54.195 -1.004 19849 370 1 . 1 1 68 68 LEU CB C 68 44.768 44.768 44.745 0.023 19849 371 1 . 1 1 68 68 LEU H H 68 8.557 8.557 8.529 0.028 19849 372 1 . 1 1 69 69 SER N N 69 122.077 122.077 121.980 0.097 19849 373 1 . 1 1 69 69 SER HA H 69 4.677 4.677 4.649 0.028 19849 374 1 . 1 1 69 69 SER C C 69 173.548 173.548 173.480 0.068 19849 375 1 . 1 1 69 69 SER CA C 69 55.803 55.803 57.654 -1.851 19849 376 1 . 1 1 69 69 SER CB C 69 63.549 63.549 63.729 -0.180 19849 377 1 . 1 1 69 69 SER H H 69 8.854 8.854 9.158 -0.303 19849 378 1 . 1 1 70 70 ILE N N 70 129.143 129.143 129.058 0.085 19849 379 1 . 1 1 70 70 ILE HA H 70 4.106 4.106 4.434 -0.328 19849 380 1 . 1 1 70 70 ILE C C 70 175.059 175.059 175.364 -0.305 19849 381 1 . 1 1 70 70 ILE CA C 70 60.633 60.633 60.218 0.415 19849 382 1 . 1 1 70 70 ILE CB C 70 36.427 36.427 37.621 -1.193 19849 383 1 . 1 1 70 70 ILE H H 70 8.922 8.922 8.581 0.340 19849 384 1 . 1 1 71 71 LYS N N 71 130.019 130.019 126.779 3.240 19849 385 1 . 1 1 71 71 LYS HA H 71 4.072 4.072 4.138 -0.066 19849 386 1 . 1 1 71 71 LYS C C 71 177.201 177.201 177.108 0.092 19849 387 1 . 1 1 71 71 LYS CA C 71 57.938 57.938 57.918 0.020 19849 388 1 . 1 1 71 71 LYS CB C 71 33.426 33.426 32.649 0.777 19849 389 1 . 1 1 71 71 LYS H H 71 8.676 8.676 8.265 0.410 19849 390 1 . 1 1 72 72 LYS N N 72 113.659 113.659 119.416 -5.757 19849 391 1 . 1 1 72 72 LYS HA H 72 4.475 4.475 4.528 -0.053 19849 392 1 . 1 1 72 72 LYS C C 72 174.013 174.013 174.083 -0.070 19849 393 1 . 1 1 72 72 LYS CA C 72 55.964 55.964 55.634 0.330 19849 394 1 . 1 1 72 72 LYS CB C 72 37.694 37.694 35.110 2.584 19849 395 1 . 1 1 72 72 LYS H H 72 7.195 7.195 7.470 -0.275 19849 396 1 . 1 1 73 73 ALA N N 73 129.019 129.019 128.971 0.048 19849 397 1 . 1 1 73 73 ALA HA H 73 5.202 5.202 4.688 0.514 19849 398 1 . 1 1 73 73 ALA C C 73 175.410 175.410 175.485 -0.075 19849 399 1 . 1 1 73 73 ALA CA C 73 50.948 50.948 50.334 0.614 19849 400 1 . 1 1 73 73 ALA CB C 73 17.688 17.688 19.533 -1.845 19849 401 1 . 1 1 73 73 ALA H H 73 8.847 8.847 8.714 0.133 19849 402 1 . 1 1 74 74 GLN N N 74 120.993 120.993 122.964 -1.971 19849 403 1 . 1 1 74 74 GLN HA H 74 4.846 4.846 4.792 0.054 19849 404 1 . 1 1 74 74 GLN C C 74 175.603 175.603 174.460 1.143 19849 405 1 . 1 1 74 74 GLN CA C 74 54.773 54.773 54.165 0.608 19849 406 1 . 1 1 74 74 GLN CB C 74 34.955 34.955 34.108 0.847 19849 407 1 . 1 1 74 74 GLN H H 74 8.398 8.398 8.340 0.058 19849 408 1 . 1 1 75 75 THR N N 75 111.917 111.917 113.237 -1.320 19849 409 1 . 1 1 75 75 THR HA H 75 4.866 4.866 4.898 -0.032 19849 410 1 . 1 1 75 75 THR CA C 75 59.600 59.600 58.372 1.228 19849 411 1 . 1 1 75 75 THR H H 75 8.920 8.920 8.568 0.352 19849 412 1 . 1 1 76 76 PRO C C 76 177.659 177.659 177.410 0.249 19849 413 1 . 1 1 76 76 PRO CA C 76 66.443 66.443 65.362 1.081 19849 414 1 . 1 1 76 76 PRO CB C 76 31.876 31.876 31.620 0.256 19849 415 1 . 1 1 77 77 GLN N N 77 114.329 114.329 116.523 -2.194 19849 416 1 . 1 1 77 77 GLN HA H 77 4.066 4.066 4.197 -0.131 19849 417 1 . 1 1 77 77 GLN C C 77 177.630 177.630 177.485 0.145 19849 418 1 . 1 1 77 77 GLN CA C 77 58.652 58.652 58.385 0.267 19849 419 1 . 1 1 77 77 GLN CB C 77 28.238 28.238 27.953 0.285 19849 420 1 . 1 1 77 77 GLN H H 77 8.481 8.481 8.461 0.020 19849 421 1 . 1 1 78 78 GLN N N 78 116.831 116.831 117.794 -0.963 19849 422 1 . 1 1 78 78 GLN HA H 78 4.093 4.093 4.357 -0.264 19849 423 1 . 1 1 78 78 GLN C C 78 176.403 176.403 177.438 -1.035 19849 424 1 . 1 1 78 78 GLN CA C 78 57.293 57.293 57.535 -0.242 19849 425 1 . 1 1 78 78 GLN CB C 78 30.974 30.974 29.355 1.619 19849 426 1 . 1 1 78 78 GLN H H 78 7.503 7.503 7.917 -0.414 19849 427 1 . 1 1 79 79 TRP N N 79 120.561 120.561 120.771 -0.210 19849 428 1 . 1 1 79 79 TRP HA H 79 4.387 4.387 4.458 -0.071 19849 429 1 . 1 1 79 79 TRP C C 79 175.429 175.429 176.601 -1.172 19849 430 1 . 1 1 79 79 TRP CA C 79 58.561 58.561 59.421 -0.860 19849 431 1 . 1 1 79 79 TRP CB C 79 30.914 30.914 29.677 1.237 19849 432 1 . 1 1 79 79 TRP H H 79 7.668 7.668 8.386 -0.718 19849 433 1 . 1 1 80 80 LYS N N 80 120.883 120.883 117.712 3.171 19849 434 1 . 1 1 80 80 LYS HA H 80 4.200 4.200 4.239 -0.039 19849 435 1 . 1 1 80 80 LYS CA C 80 53.038 53.038 57.450 -4.412 19849 436 1 . 1 1 80 80 LYS H H 80 7.768 7.768 7.932 -0.164 19849 437 1 . 1 1 82 82 PRO C C 82 176.919 176.919 176.172 0.747 19849 438 1 . 1 1 82 82 PRO CA C 82 62.940 62.940 63.116 -0.176 19849 439 1 . 1 1 82 82 PRO CB C 82 32.026 32.026 32.185 -0.159 19849 440 1 . 1 1 83 83 SER N N 83 115.592 115.592 117.454 -1.862 19849 441 1 . 1 1 83 83 SER HA H 83 4.315 4.315 4.510 -0.195 19849 442 1 . 1 1 83 83 SER C C 83 174.665 174.665 174.177 0.488 19849 443 1 . 1 1 83 83 SER CA C 83 58.162 58.162 58.309 -0.147 19849 444 1 . 1 1 83 83 SER CB C 83 63.831 63.831 63.443 0.388 19849 445 1 . 1 1 83 83 SER H H 83 8.264 8.264 8.324 -0.060 19849 446 1 . 1 1 84 84 GLN N N 84 122.131 122.131 119.779 2.352 19849 447 1 . 1 1 84 84 GLN HA H 84 4.289 4.289 4.371 -0.082 19849 448 1 . 1 1 84 84 GLN C C 84 175.598 175.598 176.202 -0.604 19849 449 1 . 1 1 84 84 GLN CA C 84 55.851 55.851 56.910 -1.059 19849 450 1 . 1 1 84 84 GLN CB C 84 29.619 29.619 29.081 0.538 19849 451 1 . 1 1 84 84 GLN H H 84 8.430 8.430 7.968 0.462 19849 452 1 . 1 1 85 85 ASP N N 85 121.550 121.550 119.338 2.212 19849 453 1 . 1 1 85 85 ASP HA H 85 4.534 4.534 4.577 -0.043 19849 454 1 . 1 1 85 85 ASP C C 85 176.431 176.431 177.714 -1.283 19849 455 1 . 1 1 85 85 ASP CA C 85 54.424 54.424 55.745 -1.321 19849 456 1 . 1 1 85 85 ASP CB C 85 41.270 41.270 40.625 0.645 19849 457 1 . 1 1 85 85 ASP H H 85 8.307 8.307 8.407 -0.100 19849 458 1 . 1 1 86 86 SER N N 86 116.617 116.617 115.358 1.259 19849 459 1 . 1 1 86 86 SER HA H 86 4.316 4.316 4.311 0.005 19849 460 1 . 1 1 86 86 SER C C 86 174.590 174.590 175.375 -0.785 19849 461 1 . 1 1 86 86 SER CA C 86 58.797 58.797 60.217 -1.420 19849 462 1 . 1 1 86 86 SER CB C 86 63.667 63.667 63.296 0.371 19849 463 1 . 1 1 86 86 SER H H 86 8.231 8.231 8.124 0.107 19849 464 1 . 1 1 87 87 ALA N N 87 125.663 125.663 121.445 4.218 19849 465 1 . 1 1 87 87 ALA HA H 87 4.290 4.290 4.577 -0.287 19849 466 1 . 1 1 87 87 ALA C C 87 178.018 178.018 177.634 0.384 19849 467 1 . 1 1 87 87 ALA CA C 87 52.952 52.952 52.827 0.125 19849 468 1 . 1 1 87 87 ALA CB C 87 19.117 19.117 18.695 0.422 19849 469 1 . 1 1 87 87 ALA H H 87 8.312 8.312 7.941 0.371 19849 470 1 . 1 1 88 88 THR N N 88 112.987 112.987 113.819 -0.832 19849 471 1 . 1 1 88 88 THR HA H 88 4.221 4.221 4.318 -0.097 19849 472 1 . 1 1 88 88 THR C C 88 174.488 174.488 174.650 -0.162 19849 473 1 . 1 1 88 88 THR CA C 88 62.115 62.115 64.295 -2.180 19849 474 1 . 1 1 88 88 THR CB C 88 69.626 69.626 69.163 0.463 19849 475 1 . 1 1 88 88 THR H H 88 7.997 7.997 7.705 0.292 19849 476 1 . 1 1 89 89 LEU N N 89 124.655 124.655 118.595 6.060 19849 477 1 . 1 1 89 89 LEU HA H 89 4.356 4.356 4.667 -0.311 19849 478 1 . 1 1 89 89 LEU C C 89 177.367 177.367 176.854 0.513 19849 479 1 . 1 1 89 89 LEU CA C 89 55.263 55.263 55.739 -0.476 19849 480 1 . 1 1 89 89 LEU CB C 89 42.492 42.492 42.896 -0.404 19849 481 1 . 1 1 89 89 LEU H H 89 8.119 8.119 7.664 0.455 19849 482 1 . 1 1 90 90 THR N N 90 115.527 115.527 112.176 3.351 19849 483 1 . 1 1 90 90 THR HA H 90 4.261 4.261 4.262 -0.001 19849 484 1 . 1 1 90 90 THR CA C 90 61.707 61.707 63.626 -1.919 19849 485 1 . 1 1 90 90 THR CB C 90 69.825 69.825 69.084 0.741 19849 486 1 . 1 1 90 90 THR H H 90 8.086 8.086 8.010 0.076 19849 487 1 . 1 1 91 91 LYS N N 91 123.923 123.923 118.569 5.354 19849 488 1 . 1 1 91 91 LYS HA H 91 4.293 4.293 4.419 -0.126 19849 489 1 . 1 1 91 91 LYS C C 91 175.949 175.949 175.771 0.178 19849 490 1 . 1 1 91 91 LYS CA C 91 56.164 56.164 56.403 -0.239 19849 491 1 . 1 1 91 91 LYS CB C 91 33.259 33.259 32.832 0.427 19849 492 1 . 1 1 91 91 LYS H H 91 8.272 8.272 7.829 0.443 19849 493 1 . 1 1 92 92 ASP N N 92 122.237 122.237 118.708 3.529 19849 494 1 . 1 1 92 92 ASP HA H 92 4.510 4.510 4.427 0.083 19849 495 1 . 1 1 92 92 ASP C C 92 174.733 174.733 175.602 -0.869 19849 496 1 . 1 1 92 92 ASP CA C 92 54.535 54.535 55.427 -0.892 19849 497 1 . 1 1 92 92 ASP CB C 92 41.111 41.111 40.726 0.385 19849 498 1 . 1 1 92 92 ASP H H 92 8.340 8.340 8.318 0.022 19849 stop_ save_