data_18842 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18842 _Entry.PDB_ID 2M14 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 18842 _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 SER N N 2 113.417 113.417 116.604 -3.187 18842 2 1 1 . 1 1 2 2 SER HA H 2 4.355 4.355 4.550 -0.195 18842 3 1 1 . 1 1 2 2 SER CA C 2 58.647 58.647 57.852 0.795 18842 4 1 1 . 1 1 2 2 SER CB C 2 63.504 63.504 63.857 -0.353 18842 5 1 1 . 1 1 2 2 SER H H 2 8.096 8.096 8.338 -0.242 18842 6 1 1 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.791 -0.114 18842 7 1 1 . 1 1 3 3 HIS C C 3 173.601 173.601 173.523 0.078 18842 8 1 1 . 1 1 3 3 HIS CA C 3 56.229 56.229 53.357 2.872 18842 9 1 1 . 1 1 3 3 HIS CB C 3 31.323 31.323 27.455 3.868 18842 10 1 1 . 1 1 4 4 SER N N 4 113.555 113.555 114.662 -1.107 18842 11 1 1 . 1 1 4 4 SER HA H 4 5.483 5.483 5.058 0.425 18842 12 1 1 . 1 1 4 4 SER C C 4 173.624 173.624 173.154 0.470 18842 13 1 1 . 1 1 4 4 SER CA C 4 56.904 56.904 58.196 -1.292 18842 14 1 1 . 1 1 4 4 SER CB C 4 65.900 65.900 65.543 0.357 18842 15 1 1 . 1 1 4 4 SER H H 4 7.865 7.865 7.913 -0.048 18842 16 1 1 . 1 1 5 5 GLY N N 5 107.050 107.050 107.854 -0.804 18842 17 1 1 . 1 1 5 5 GLY C C 5 170.915 170.915 172.133 -1.218 18842 18 1 1 . 1 1 5 5 GLY CA C 5 45.417 45.417 45.032 0.385 18842 19 1 1 . 1 1 5 5 GLY H H 5 8.370 8.370 8.886 -0.516 18842 20 1 1 . 1 1 6 6 ALA N N 6 125.347 125.347 123.943 1.404 18842 21 1 1 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.593 0.360 18842 22 1 1 . 1 1 6 6 ALA C C 6 176.816 176.816 176.106 0.710 18842 23 1 1 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.266 0.339 18842 24 1 1 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.101 0.272 18842 25 1 1 . 1 1 6 6 ALA H H 6 8.671 8.671 8.488 0.183 18842 26 1 1 . 1 1 7 7 ALA N N 7 120.077 120.077 126.278 -6.201 18842 27 1 1 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.073 0.589 18842 28 1 1 . 1 1 7 7 ALA C C 7 176.697 176.697 175.861 0.836 18842 29 1 1 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.511 2.157 18842 30 1 1 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.328 2.720 18842 31 1 1 . 1 1 7 7 ALA H H 7 8.391 8.391 7.941 0.450 18842 32 1 1 . 1 1 8 8 ILE N N 8 125.517 125.517 120.137 5.380 18842 33 1 1 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.943 0.044 18842 34 1 1 . 1 1 8 8 ILE C C 8 175.327 175.327 175.014 0.313 18842 35 1 1 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.415 -1.571 18842 36 1 1 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.555 -0.966 18842 37 1 1 . 1 1 8 8 ILE H H 8 9.383 9.383 8.048 1.335 18842 38 1 1 . 1 1 9 9 PHE N N 9 128.853 128.853 125.926 2.927 18842 39 1 1 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.633 -0.316 18842 40 1 1 . 1 1 9 9 PHE C C 9 173.920 173.920 174.595 -0.675 18842 41 1 1 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.508 -0.390 18842 42 1 1 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.570 -1.745 18842 43 1 1 . 1 1 9 9 PHE H H 9 8.467 8.467 9.254 -0.787 18842 44 1 1 . 1 1 10 10 GLU N N 10 126.396 126.396 126.258 0.138 18842 45 1 1 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.655 -0.453 18842 46 1 1 . 1 1 10 10 GLU C C 10 175.226 175.226 175.450 -0.224 18842 47 1 1 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.209 -0.529 18842 48 1 1 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.184 -1.489 18842 49 1 1 . 1 1 10 10 GLU H H 10 8.769 8.769 8.713 0.056 18842 50 1 1 . 1 1 11 11 LYS N N 11 105.585 105.585 113.089 -7.504 18842 51 1 1 . 1 1 11 11 LYS HA H 11 3.402 3.402 4.018 -0.616 18842 52 1 1 . 1 1 11 11 LYS C C 11 175.596 175.596 175.016 0.580 18842 53 1 1 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.409 1.039 18842 54 1 1 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.486 -1.353 18842 55 1 1 . 1 1 11 11 LYS H H 11 7.931 7.931 8.228 -0.297 18842 56 1 1 . 1 1 12 12 VAL N N 12 123.819 123.819 121.272 2.547 18842 57 1 1 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.363 0.054 18842 58 1 1 . 1 1 12 12 VAL C C 12 175.188 175.188 174.674 0.514 18842 59 1 1 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.566 1.119 18842 60 1 1 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.274 -0.095 18842 61 1 1 . 1 1 12 12 VAL H H 12 7.954 7.954 7.356 0.598 18842 62 1 1 . 1 1 13 13 SER N N 13 121.981 121.981 122.720 -0.739 18842 63 1 1 . 1 1 13 13 SER HA H 13 4.624 4.624 4.844 -0.220 18842 64 1 1 . 1 1 13 13 SER C C 13 175.408 175.408 174.329 1.079 18842 65 1 1 . 1 1 13 13 SER CA C 13 59.766 59.766 58.471 1.295 18842 66 1 1 . 1 1 13 13 SER CB C 13 63.591 63.591 63.480 0.111 18842 67 1 1 . 1 1 13 13 SER H H 13 8.895 8.895 8.759 0.136 18842 68 1 1 . 1 1 14 14 GLY N N 14 113.215 113.215 112.522 0.693 18842 69 1 1 . 1 1 14 14 GLY C C 14 172.790 172.790 172.289 0.501 18842 70 1 1 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.122 2.415 18842 71 1 1 . 1 1 14 14 GLY H H 14 8.287 8.287 9.414 -1.127 18842 72 1 1 . 1 1 15 15 ILE N N 15 123.244 123.244 119.627 3.617 18842 73 1 1 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.342 0.478 18842 74 1 1 . 1 1 15 15 ILE C C 15 175.417 175.417 174.131 1.286 18842 75 1 1 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.485 -0.182 18842 76 1 1 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.089 1.707 18842 77 1 1 . 1 1 15 15 ILE H H 15 8.330 8.330 7.377 0.953 18842 78 1 1 . 1 1 16 16 ILE N N 16 127.640 127.640 128.684 -1.044 18842 79 1 1 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.285 0.682 18842 80 1 1 . 1 1 16 16 ILE C C 16 173.248 173.248 173.839 -0.591 18842 81 1 1 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.119 -0.307 18842 82 1 1 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.373 2.350 18842 83 1 1 . 1 1 16 16 ILE H H 16 9.438 9.438 9.207 0.231 18842 84 1 1 . 1 1 17 17 ALA N N 17 127.760 127.760 131.035 -3.275 18842 85 1 1 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.865 0.240 18842 86 1 1 . 1 1 17 17 ALA C C 17 177.510 177.510 175.538 1.972 18842 87 1 1 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.108 1.337 18842 88 1 1 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.503 -0.342 18842 89 1 1 . 1 1 17 17 ALA H H 17 8.968 8.968 8.762 0.206 18842 90 1 1 . 1 1 18 18 ILE N N 18 122.269 122.269 123.718 -1.449 18842 91 1 1 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.353 0.238 18842 92 1 1 . 1 1 18 18 ILE C C 18 174.334 174.334 175.617 -1.283 18842 93 1 1 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.414 0.242 18842 94 1 1 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.049 1.015 18842 95 1 1 . 1 1 18 18 ILE H H 18 8.665 8.665 7.948 0.717 18842 96 1 1 . 1 1 19 19 ASN N N 19 127.568 127.568 127.103 0.465 18842 97 1 1 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.695 0.385 18842 98 1 1 . 1 1 19 19 ASN C C 19 174.784 174.784 175.209 -0.425 18842 99 1 1 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.682 -1.044 18842 100 1 1 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.236 1.355 18842 101 1 1 . 1 1 19 19 ASN H H 19 9.378 9.378 8.806 0.572 18842 102 1 1 . 1 1 20 20 GLU N N 20 121.587 121.587 123.473 -1.886 18842 103 1 1 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.458 0.245 18842 104 1 1 . 1 1 20 20 GLU C C 20 176.152 176.152 175.456 0.696 18842 105 1 1 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.492 -1.601 18842 106 1 1 . 1 1 20 20 GLU CB C 20 30.867 30.867 30.299 0.568 18842 107 1 1 . 1 1 20 20 GLU H H 20 9.046 9.046 8.128 0.918 18842 108 1 1 . 1 1 21 21 ASP N N 21 121.077 121.077 117.866 3.211 18842 109 1 1 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.716 -0.097 18842 110 1 1 . 1 1 21 21 ASP C C 21 175.688 175.688 176.022 -0.334 18842 111 1 1 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.357 1.155 18842 112 1 1 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.342 -0.866 18842 113 1 1 . 1 1 21 21 ASP H H 21 8.724 8.724 8.216 0.508 18842 114 1 1 . 1 1 22 22 VAL N N 22 113.035 113.035 115.149 -2.114 18842 115 1 1 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.379 -0.061 18842 116 1 1 . 1 1 22 22 VAL C C 22 173.445 173.445 175.896 -2.451 18842 117 1 1 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.242 -1.192 18842 118 1 1 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.828 0.194 18842 119 1 1 . 1 1 22 22 VAL H H 22 6.844 6.844 7.279 -0.435 18842 120 1 1 . 1 1 23 23 SER N N 23 114.945 114.945 115.759 -0.814 18842 121 1 1 . 1 1 23 23 SER HA H 23 4.735 4.735 4.493 0.242 18842 122 1 1 . 1 1 23 23 SER CA C 23 53.765 53.765 61.254 -7.489 18842 123 1 1 . 1 1 23 23 SER CB C 23 64.743 64.743 62.529 2.214 18842 124 1 1 . 1 1 23 23 SER H H 23 8.046 8.046 8.609 -0.563 18842 125 1 1 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.579 0.189 18842 126 1 1 . 1 1 24 24 PRO C C 24 174.807 174.807 176.095 -1.288 18842 127 1 1 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.027 0.733 18842 128 1 1 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.917 2.824 18842 129 1 1 . 1 1 25 25 ALA N N 25 120.415 120.415 129.020 -8.605 18842 130 1 1 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.344 0.171 18842 131 1 1 . 1 1 25 25 ALA C C 25 175.790 175.790 176.963 -1.173 18842 132 1 1 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.954 -0.421 18842 133 1 1 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.418 1.164 18842 134 1 1 . 1 1 25 25 ALA H H 25 7.979 7.979 8.537 -0.558 18842 135 1 1 . 1 1 26 26 GLU N N 26 115.395 115.395 122.916 -7.521 18842 136 1 1 . 1 1 26 26 GLU HA H 26 5.039 5.039 4.955 0.084 18842 137 1 1 . 1 1 26 26 GLU C C 26 174.619 174.619 175.360 -0.741 18842 138 1 1 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.457 -0.428 18842 139 1 1 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.418 1.198 18842 140 1 1 . 1 1 26 26 GLU H H 26 7.851 7.851 8.418 -0.567 18842 141 1 1 . 1 1 27 27 LEU N N 27 124.661 124.661 122.566 2.095 18842 142 1 1 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.809 0.217 18842 143 1 1 . 1 1 27 27 LEU C C 27 174.740 174.740 174.725 0.015 18842 144 1 1 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.286 -0.505 18842 145 1 1 . 1 1 27 27 LEU CB C 27 45.609 45.609 45.260 0.349 18842 146 1 1 . 1 1 27 27 LEU H H 27 8.898 8.898 9.327 -0.429 18842 147 1 1 . 1 1 28 28 THR N N 28 121.731 121.731 123.527 -1.796 18842 148 1 1 . 1 1 28 28 THR HA H 28 5.207 5.207 5.021 0.185 18842 149 1 1 . 1 1 28 28 THR C C 28 172.661 172.661 173.364 -0.703 18842 150 1 1 . 1 1 28 28 THR CA C 28 61.178 61.178 62.053 -0.875 18842 151 1 1 . 1 1 28 28 THR CB C 28 71.422 71.422 69.791 1.631 18842 152 1 1 . 1 1 28 28 THR H H 28 9.283 9.283 9.154 0.129 18842 153 1 1 . 1 1 29 29 TRP N N 29 128.950 128.950 131.082 -2.132 18842 154 1 1 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.134 0.297 18842 155 1 1 . 1 1 29 29 TRP C C 29 173.939 173.939 174.522 -0.583 18842 156 1 1 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.987 -0.205 18842 157 1 1 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.640 1.537 18842 158 1 1 . 1 1 29 29 TRP H H 29 9.399 9.399 9.305 0.094 18842 159 1 1 . 1 1 30 30 ARG N N 30 126.402 126.402 130.054 -3.652 18842 160 1 1 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.406 0.423 18842 161 1 1 . 1 1 30 30 ARG C C 30 174.751 174.751 175.859 -1.108 18842 162 1 1 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.218 -0.829 18842 163 1 1 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.113 1.705 18842 164 1 1 . 1 1 30 30 ARG H H 30 7.613 7.613 9.114 -1.502 18842 165 1 1 . 1 1 31 31 SER N N 31 118.353 118.353 121.910 -3.557 18842 166 1 1 . 1 1 31 31 SER HA H 31 4.138 4.138 3.732 0.406 18842 167 1 1 . 1 1 31 31 SER C C 31 176.426 176.426 175.308 1.118 18842 168 1 1 . 1 1 31 31 SER CA C 31 58.013 58.013 59.081 -1.068 18842 169 1 1 . 1 1 31 31 SER CB C 31 64.081 64.081 63.364 0.717 18842 170 1 1 . 1 1 31 31 SER H H 31 8.086 8.086 8.412 -0.326 18842 171 1 1 . 1 1 32 32 THR N N 32 119.213 119.213 114.612 4.601 18842 172 1 1 . 1 1 32 32 THR HA H 32 3.856 3.856 4.182 -0.326 18842 173 1 1 . 1 1 32 32 THR C C 32 175.664 175.664 175.537 0.127 18842 174 1 1 . 1 1 32 32 THR CA C 32 66.142 66.142 64.754 1.388 18842 175 1 1 . 1 1 32 32 THR CB C 32 68.446 68.446 68.726 -0.280 18842 176 1 1 . 1 1 32 32 THR H H 32 8.556 8.556 8.369 0.187 18842 177 1 1 . 1 1 33 33 ASP N N 33 117.260 117.260 120.227 -2.967 18842 178 1 1 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.655 -0.028 18842 179 1 1 . 1 1 33 33 ASP C C 33 177.098 177.098 176.987 0.111 18842 180 1 1 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.458 -0.091 18842 181 1 1 . 1 1 33 33 ASP H H 33 8.236 8.236 8.201 0.035 18842 182 1 1 . 1 1 34 34 GLY N N 34 109.136 109.136 106.261 2.875 18842 183 1 1 . 1 1 34 34 GLY C C 34 173.778 173.778 174.685 -0.907 18842 184 1 1 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.108 0.291 18842 185 1 1 . 1 1 34 34 GLY H H 34 7.935 7.935 7.942 -0.007 18842 186 1 1 . 1 1 35 35 ASP N N 35 117.913 117.913 120.321 -2.408 18842 187 1 1 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.778 -0.248 18842 188 1 1 . 1 1 35 35 ASP C C 35 175.403 175.403 175.549 -0.146 18842 189 1 1 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.688 0.123 18842 190 1 1 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.972 -0.930 18842 191 1 1 . 1 1 35 35 ASP H H 35 8.271 8.271 8.304 -0.033 18842 192 1 1 . 1 1 36 36 LYS N N 36 120.335 120.335 119.846 0.489 18842 193 1 1 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.768 0.139 18842 194 1 1 . 1 1 36 36 LYS C C 36 174.651 174.651 174.173 0.478 18842 195 1 1 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.185 0.222 18842 196 1 1 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.791 0.043 18842 197 1 1 . 1 1 36 36 LYS H H 36 7.769 7.769 7.882 -0.113 18842 198 1 1 . 1 1 37 37 VAL N N 37 121.484 121.484 122.170 -0.686 18842 199 1 1 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.177 0.138 18842 200 1 1 . 1 1 37 37 VAL C C 37 175.069 175.069 175.042 0.027 18842 201 1 1 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.649 0.449 18842 202 1 1 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.367 0.691 18842 203 1 1 . 1 1 37 37 VAL H H 37 8.582 8.582 8.661 -0.079 18842 204 1 1 . 1 1 38 38 HIS N N 38 125.660 125.660 124.100 1.560 18842 205 1 1 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.997 0.087 18842 206 1 1 . 1 1 38 38 HIS C C 38 173.268 173.268 173.355 -0.087 18842 207 1 1 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.989 0.079 18842 208 1 1 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.122 -0.034 18842 209 1 1 . 1 1 38 38 HIS H H 38 9.621 9.621 8.929 0.692 18842 210 1 1 . 1 1 39 39 THR N N 39 124.752 124.752 119.879 4.873 18842 211 1 1 . 1 1 39 39 THR HA H 39 5.139 5.139 4.809 0.330 18842 212 1 1 . 1 1 39 39 THR C C 39 173.208 173.208 173.139 0.069 18842 213 1 1 . 1 1 39 39 THR CA C 39 61.518 61.518 61.337 0.181 18842 214 1 1 . 1 1 39 39 THR CB C 39 70.665 70.665 70.944 -0.279 18842 215 1 1 . 1 1 39 39 THR H H 39 8.527 8.527 7.874 0.653 18842 216 1 1 . 1 1 40 40 VAL N N 40 126.002 126.002 125.469 0.533 18842 217 1 1 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.175 -0.251 18842 218 1 1 . 1 1 40 40 VAL C C 40 174.731 174.731 173.868 0.863 18842 219 1 1 . 1 1 40 40 VAL CA C 40 60.350 60.350 61.000 -0.650 18842 220 1 1 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.207 -1.842 18842 221 1 1 . 1 1 40 40 VAL H H 40 9.388 9.388 9.069 0.319 18842 222 1 1 . 1 1 41 41 VAL N N 41 129.872 129.872 127.849 2.023 18842 223 1 1 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.234 -0.250 18842 224 1 1 . 1 1 41 41 VAL C C 41 179.410 179.410 176.520 2.890 18842 225 1 1 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.893 1.723 18842 226 1 1 . 1 1 41 41 VAL CB C 41 30.988 30.988 32.312 -1.325 18842 227 1 1 . 1 1 41 41 VAL H H 41 9.054 9.054 8.538 0.516 18842 228 1 1 . 1 1 42 42 LEU N N 42 130.076 130.076 128.768 1.308 18842 229 1 1 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.256 -0.302 18842 230 1 1 . 1 1 42 42 LEU C C 42 176.121 176.121 178.064 -1.943 18842 231 1 1 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.086 2.536 18842 232 1 1 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.652 0.171 18842 233 1 1 . 1 1 42 42 LEU H H 42 9.193 9.193 8.304 0.889 18842 234 1 1 . 1 1 43 43 SER N N 43 109.703 109.703 111.964 -2.261 18842 235 1 1 . 1 1 43 43 SER HA H 43 3.944 3.944 2.941 1.003 18842 236 1 1 . 1 1 43 43 SER C C 43 175.455 175.455 175.387 0.068 18842 237 1 1 . 1 1 43 43 SER CA C 43 59.442 59.442 60.541 -1.099 18842 238 1 1 . 1 1 43 43 SER CB C 43 61.299 61.299 62.936 -1.637 18842 239 1 1 . 1 1 43 43 SER H H 43 6.961 6.961 8.337 -1.376 18842 240 1 1 . 1 1 44 44 THR N N 44 110.409 110.409 113.984 -3.575 18842 241 1 1 . 1 1 44 44 THR HA H 44 4.519 4.519 4.219 0.300 18842 242 1 1 . 1 1 44 44 THR C C 44 173.493 173.493 175.482 -1.989 18842 243 1 1 . 1 1 44 44 THR CA C 44 62.076 62.076 63.227 -1.151 18842 244 1 1 . 1 1 44 44 THR CB C 44 69.788 69.788 69.403 0.385 18842 245 1 1 . 1 1 44 44 THR H H 44 7.657 7.657 7.488 0.169 18842 246 1 1 . 1 1 45 45 ILE N N 45 120.972 120.972 124.590 -3.618 18842 247 1 1 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.066 0.260 18842 248 1 1 . 1 1 45 45 ILE C C 45 173.882 173.882 175.565 -1.683 18842 249 1 1 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.626 -3.586 18842 250 1 1 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.454 1.046 18842 251 1 1 . 1 1 45 45 ILE H H 45 7.089 7.089 7.439 -0.350 18842 252 1 1 . 1 1 46 46 ASP N N 46 126.759 126.759 128.745 -1.986 18842 253 1 1 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.530 0.132 18842 254 1 1 . 1 1 46 46 ASP C C 46 175.424 175.424 176.281 -0.857 18842 255 1 1 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.006 -0.989 18842 256 1 1 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.960 2.623 18842 257 1 1 . 1 1 46 46 ASP H H 46 9.372 9.372 8.667 0.705 18842 258 1 1 . 1 1 47 47 LYS N N 47 111.663 111.663 116.670 -5.007 18842 259 1 1 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.660 0.093 18842 260 1 1 . 1 1 47 47 LYS C C 47 172.574 172.574 174.524 -1.950 18842 261 1 1 . 1 1 47 47 LYS CA C 47 54.615 54.615 54.836 -0.221 18842 262 1 1 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.974 0.222 18842 263 1 1 . 1 1 47 47 LYS H H 47 7.522 7.522 7.614 -0.092 18842 264 1 1 . 1 1 48 48 LEU N N 48 123.295 123.295 120.958 2.337 18842 265 1 1 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.745 0.398 18842 266 1 1 . 1 1 48 48 LEU C C 48 174.770 174.770 175.728 -0.958 18842 267 1 1 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.829 -0.893 18842 268 1 1 . 1 1 48 48 LEU CB C 48 45.580 45.580 45.626 -0.046 18842 269 1 1 . 1 1 48 48 LEU H H 48 8.938 8.938 8.314 0.624 18842 270 1 1 . 1 1 49 49 GLN N N 49 120.979 120.979 120.131 0.848 18842 271 1 1 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.703 0.809 18842 272 1 1 . 1 1 49 49 GLN C C 49 174.626 174.626 174.057 0.569 18842 273 1 1 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.537 -0.906 18842 274 1 1 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.165 0.924 18842 275 1 1 . 1 1 49 49 GLN H H 49 9.246 9.246 8.730 0.516 18842 276 1 1 . 1 1 50 50 ALA N N 50 122.440 122.440 124.582 -2.142 18842 277 1 1 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.539 1.269 18842 278 1 1 . 1 1 50 50 ALA C C 50 177.277 177.277 176.103 1.174 18842 279 1 1 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.809 -1.188 18842 280 1 1 . 1 1 50 50 ALA CB C 50 24.523 24.523 22.092 2.431 18842 281 1 1 . 1 1 50 50 ALA H H 50 9.365 9.365 8.386 0.979 18842 282 1 1 . 1 1 51 51 THR N N 51 114.289 114.289 116.420 -2.131 18842 283 1 1 . 1 1 51 51 THR HA H 51 4.615 4.615 4.618 -0.003 18842 284 1 1 . 1 1 51 51 THR CA C 51 59.197 59.197 60.017 -0.820 18842 285 1 1 . 1 1 51 51 THR CB C 51 67.937 67.937 68.414 -0.477 18842 286 1 1 . 1 1 51 51 THR H H 51 8.368 8.368 8.360 0.008 18842 287 1 1 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.294 0.237 18842 288 1 1 . 1 1 52 52 PRO C C 52 178.380 178.380 178.536 -0.156 18842 289 1 1 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.850 -0.475 18842 290 1 1 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.049 0.591 18842 291 1 1 . 1 1 53 53 ALA N N 53 126.235 126.235 122.299 3.936 18842 292 1 1 . 1 1 53 53 ALA HA H 53 4.030 4.030 3.984 0.046 18842 293 1 1 . 1 1 53 53 ALA C C 53 177.700 177.700 178.850 -1.150 18842 294 1 1 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.259 0.536 18842 295 1 1 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.478 -0.459 18842 296 1 1 . 1 1 53 53 ALA H H 53 9.122 9.122 8.585 0.537 18842 297 1 1 . 1 1 54 54 SER N N 54 107.216 107.216 111.058 -3.842 18842 298 1 1 . 1 1 54 54 SER HA H 54 4.238 4.238 4.359 -0.121 18842 299 1 1 . 1 1 54 54 SER C C 54 174.957 174.957 174.739 0.218 18842 300 1 1 . 1 1 54 54 SER CA C 54 58.260 58.260 59.430 -1.170 18842 301 1 1 . 1 1 54 54 SER CB C 54 63.120 63.120 63.330 -0.210 18842 302 1 1 . 1 1 54 54 SER H H 54 7.620 7.620 7.983 -0.363 18842 303 1 1 . 1 1 55 55 SER N N 55 117.523 117.523 116.927 0.596 18842 304 1 1 . 1 1 55 55 SER HA H 55 4.469 4.469 4.533 -0.064 18842 305 1 1 . 1 1 55 55 SER C C 55 174.952 174.952 173.724 1.228 18842 306 1 1 . 1 1 55 55 SER CA C 55 57.500 57.500 58.602 -1.102 18842 307 1 1 . 1 1 55 55 SER CB C 55 63.801 63.801 64.046 -0.245 18842 308 1 1 . 1 1 55 55 SER H H 55 7.676 7.676 7.901 -0.225 18842 309 1 1 . 1 1 56 56 GLU N N 56 124.557 124.557 125.530 -0.973 18842 310 1 1 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.045 0.134 18842 311 1 1 . 1 1 56 56 GLU C C 56 177.924 177.924 176.136 1.788 18842 312 1 1 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.413 -0.752 18842 313 1 1 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.973 -0.144 18842 314 1 1 . 1 1 56 56 GLU H H 56 8.844 8.844 8.819 0.025 18842 315 1 1 . 1 1 57 57 LYS N N 57 119.220 119.220 118.846 0.374 18842 316 1 1 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.424 -0.128 18842 317 1 1 . 1 1 57 57 LYS C C 57 175.667 175.667 175.644 0.023 18842 318 1 1 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.534 1.321 18842 319 1 1 . 1 1 57 57 LYS CB C 57 33.855 33.855 31.878 1.977 18842 320 1 1 . 1 1 57 57 LYS H H 57 8.259 8.259 7.915 0.344 18842 321 1 1 . 1 1 58 58 MET N N 58 123.270 123.270 125.246 -1.976 18842 322 1 1 . 1 1 58 58 MET HA H 58 4.288 4.288 4.737 -0.449 18842 323 1 1 . 1 1 58 58 MET C C 58 174.107 174.107 175.545 -1.438 18842 324 1 1 . 1 1 58 58 MET CA C 58 55.067 55.067 54.960 0.107 18842 325 1 1 . 1 1 58 58 MET CB C 58 35.381 35.381 32.128 3.253 18842 326 1 1 . 1 1 58 58 MET H H 58 8.811 8.811 8.872 -0.061 18842 327 1 1 . 1 1 59 59 MET N N 59 120.490 120.490 123.327 -2.837 18842 328 1 1 . 1 1 59 59 MET HA H 59 5.873 5.873 5.044 0.829 18842 329 1 1 . 1 1 59 59 MET C C 59 174.459 174.459 174.166 0.293 18842 330 1 1 . 1 1 59 59 MET CA C 59 54.903 54.903 55.364 -0.461 18842 331 1 1 . 1 1 59 59 MET CB C 59 39.231 39.231 37.242 1.989 18842 332 1 1 . 1 1 59 59 MET H H 59 8.395 8.395 9.440 -1.045 18842 333 1 1 . 1 1 60 60 LEU N N 60 118.105 118.105 122.295 -4.190 18842 334 1 1 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.789 0.875 18842 335 1 1 . 1 1 60 60 LEU C C 60 175.664 175.664 175.372 0.292 18842 336 1 1 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.106 -0.978 18842 337 1 1 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.024 2.411 18842 338 1 1 . 1 1 60 60 LEU H H 60 9.103 9.103 8.279 0.824 18842 339 1 1 . 1 1 61 61 ARG N N 61 120.757 120.757 118.550 2.207 18842 340 1 1 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.464 -0.006 18842 341 1 1 . 1 1 61 61 ARG C C 61 173.515 173.515 174.406 -0.891 18842 342 1 1 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.944 -0.221 18842 343 1 1 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.125 1.007 18842 344 1 1 . 1 1 61 61 ARG H H 61 9.287 9.287 8.514 0.773 18842 345 1 1 . 1 1 62 62 LEU N N 62 127.139 127.139 121.782 5.357 18842 346 1 1 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.857 0.172 18842 347 1 1 . 1 1 62 62 LEU C C 62 175.440 175.440 175.393 0.047 18842 348 1 1 . 1 1 62 62 LEU CA C 62 54.400 54.400 54.278 0.122 18842 349 1 1 . 1 1 62 62 LEU CB C 62 43.103 43.103 46.330 -3.227 18842 350 1 1 . 1 1 62 62 LEU H H 62 9.307 9.307 8.487 0.820 18842 351 1 1 . 1 1 63 63 ILE N N 63 123.292 123.292 123.559 -0.267 18842 352 1 1 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.218 0.370 18842 353 1 1 . 1 1 63 63 ILE C C 63 176.319 176.319 175.791 0.528 18842 354 1 1 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.267 0.120 18842 355 1 1 . 1 1 63 63 ILE CB C 63 38.121 38.121 37.612 0.509 18842 356 1 1 . 1 1 63 63 ILE H H 63 8.891 8.891 8.583 0.308 18842 357 1 1 . 1 1 64 64 GLY N N 64 115.565 115.565 114.497 1.068 18842 358 1 1 . 1 1 64 64 GLY C C 64 172.551 172.551 173.044 -0.493 18842 359 1 1 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.648 1.782 18842 360 1 1 . 1 1 64 64 GLY H H 64 9.356 9.356 7.965 1.391 18842 361 1 1 . 1 1 65 65 LYS N N 65 119.442 119.442 120.918 -1.476 18842 362 1 1 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.302 -0.007 18842 363 1 1 . 1 1 65 65 LYS C C 65 176.205 176.205 176.388 -0.183 18842 364 1 1 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.760 -0.172 18842 365 1 1 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.849 1.504 18842 366 1 1 . 1 1 65 65 LYS H H 65 8.361 8.361 8.330 0.031 18842 367 1 1 . 1 1 66 66 VAL N N 66 122.131 122.131 125.001 -2.870 18842 368 1 1 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.233 -0.147 18842 369 1 1 . 1 1 66 66 VAL C C 66 175.265 175.265 174.596 0.669 18842 370 1 1 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.730 0.333 18842 371 1 1 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.904 0.360 18842 372 1 1 . 1 1 66 66 VAL H H 66 8.637 8.637 8.227 0.410 18842 373 1 1 . 1 1 67 67 ASP N N 67 125.510 125.510 118.791 6.719 18842 374 1 1 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.697 0.030 18842 375 1 1 . 1 1 67 67 ASP C C 67 176.708 176.708 174.894 1.814 18842 376 1 1 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.524 -1.384 18842 377 1 1 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.764 -0.834 18842 378 1 1 . 1 1 67 67 ASP H H 67 8.460 8.460 8.308 0.152 18842 379 1 1 . 1 1 68 68 GLU N N 68 124.449 124.449 123.915 0.534 18842 380 1 1 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.562 -0.474 18842 381 1 1 . 1 1 68 68 GLU C C 68 177.451 177.451 176.375 1.076 18842 382 1 1 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.198 1.657 18842 383 1 1 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.073 -0.396 18842 384 1 1 . 1 1 68 68 GLU H H 68 8.752 8.752 8.634 0.118 18842 385 1 1 . 1 1 69 69 SER N N 69 115.515 115.515 114.085 1.430 18842 386 1 1 . 1 1 69 69 SER HA H 69 4.329 4.329 4.531 -0.202 18842 387 1 1 . 1 1 69 69 SER C C 69 175.277 175.277 173.692 1.585 18842 388 1 1 . 1 1 69 69 SER CA C 69 60.139 60.139 58.854 1.285 18842 389 1 1 . 1 1 69 69 SER CB C 69 63.223 63.223 63.248 -0.025 18842 390 1 1 . 1 1 69 69 SER H H 69 8.497 8.497 8.156 0.341 18842 391 1 1 . 1 1 70 70 LYS N N 70 121.733 121.733 120.045 1.688 18842 392 1 1 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.453 -0.043 18842 393 1 1 . 1 1 70 70 LYS C C 70 177.124 177.124 176.074 1.050 18842 394 1 1 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.022 -0.698 18842 395 1 1 . 1 1 70 70 LYS H H 70 7.689 7.689 8.043 -0.354 18842 396 1 1 . 1 1 71 71 LYS N N 71 121.012 121.012 118.328 2.684 18842 397 1 1 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.929 0.478 18842 398 1 1 . 1 1 71 71 LYS C C 71 176.175 176.175 175.681 0.494 18842 399 1 1 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.543 -0.931 18842 400 1 1 . 1 1 71 71 LYS H H 71 7.750 7.750 8.256 -0.506 18842 401 1 1 . 1 1 72 72 ARG N N 72 122.064 122.064 116.825 5.239 18842 402 1 1 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.604 -0.003 18842 403 1 1 . 1 1 72 72 ARG C C 72 175.228 175.228 173.489 1.739 18842 404 1 1 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.106 -0.177 18842 405 1 1 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.034 0.291 18842 406 1 1 . 1 1 72 72 ARG H H 72 8.420 8.420 8.388 0.032 18842 407 1 1 . 1 1 73 73 LYS N N 73 121.217 121.217 118.127 3.090 18842 408 1 1 . 1 1 73 73 LYS HA H 73 4.933 4.933 5.031 -0.098 18842 409 1 1 . 1 1 73 73 LYS C C 73 177.010 177.010 176.385 0.625 18842 410 1 1 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.210 -0.005 18842 411 1 1 . 1 1 73 73 LYS CB C 73 34.680 34.680 34.157 0.523 18842 412 1 1 . 1 1 73 73 LYS H H 73 8.401 8.401 8.428 -0.027 18842 413 1 1 . 1 1 74 74 ASP N N 74 122.025 122.025 120.216 1.809 18842 414 1 1 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.761 -0.051 18842 415 1 1 . 1 1 74 74 ASP C C 74 177.475 177.475 176.156 1.319 18842 416 1 1 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.725 -0.969 18842 417 1 1 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.219 -0.197 18842 418 1 1 . 1 1 74 74 ASP H H 74 8.582 8.582 8.488 0.094 18842 419 1 1 . 1 1 75 75 ASN N N 75 116.228 116.228 116.081 0.147 18842 420 1 1 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.458 0.078 18842 421 1 1 . 1 1 75 75 ASN C C 75 175.999 175.999 174.836 1.163 18842 422 1 1 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.743 0.110 18842 423 1 1 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.420 0.712 18842 424 1 1 . 1 1 75 75 ASN H H 75 8.433 8.433 8.602 -0.169 18842 425 1 1 . 1 1 76 76 GLU N N 76 118.958 118.958 117.823 1.135 18842 426 1 1 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.497 -0.116 18842 427 1 1 . 1 1 76 76 GLU C C 76 176.556 176.556 176.757 -0.201 18842 428 1 1 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.313 -0.150 18842 429 1 1 . 1 1 76 76 GLU H H 76 8.162 8.162 8.402 -0.240 18842 430 1 1 . 1 1 77 77 GLY N N 77 108.062 108.062 108.107 -0.045 18842 431 1 1 . 1 1 77 77 GLY C C 77 174.247 174.247 172.821 1.426 18842 432 1 1 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.668 0.542 18842 433 1 1 . 1 1 77 77 GLY H H 77 8.106 8.106 8.043 0.063 18842 434 1 1 . 1 1 78 78 ASN N N 78 119.929 119.929 118.496 1.433 18842 435 1 1 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.947 -0.201 18842 436 1 1 . 1 1 78 78 ASN C C 78 175.035 175.035 174.209 0.826 18842 437 1 1 . 1 1 78 78 ASN CA C 78 52.795 52.795 51.957 0.838 18842 438 1 1 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.855 -0.910 18842 439 1 1 . 1 1 78 78 ASN H H 78 8.569 8.569 8.233 0.336 18842 440 1 1 . 1 1 79 79 GLU N N 79 121.658 121.658 123.836 -2.178 18842 441 1 1 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.350 0.131 18842 442 1 1 . 1 1 79 79 GLU C C 79 176.302 176.302 176.257 0.045 18842 443 1 1 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.177 -0.515 18842 444 1 1 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.324 2.319 18842 445 1 1 . 1 1 79 79 GLU H H 79 8.691 8.691 8.860 -0.169 18842 446 1 1 . 1 1 80 80 VAL N N 80 123.997 123.997 119.455 4.542 18842 447 1 1 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.683 -0.428 18842 448 1 1 . 1 1 80 80 VAL C C 80 175.544 175.544 174.564 0.980 18842 449 1 1 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.782 1.511 18842 450 1 1 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.028 -1.485 18842 451 1 1 . 1 1 80 80 VAL H H 80 8.581 8.581 8.764 -0.183 18842 452 1 1 . 1 1 81 81 VAL N N 81 126.545 126.545 118.090 8.455 18842 453 1 1 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.428 -0.002 18842 454 1 1 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.006 0.545 18842 455 1 1 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.971 -0.077 18842 456 1 1 . 1 1 81 81 VAL H H 81 8.407 8.407 8.097 0.310 18842 457 1 1 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.355 0.077 18842 458 1 1 . 1 1 82 82 PRO C C 82 176.036 176.036 176.819 -0.783 18842 459 1 1 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.187 -0.622 18842 460 1 1 . 1 1 83 83 LYS N N 83 121.727 121.727 124.949 -3.222 18842 461 1 1 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.248 0.303 18842 462 1 1 . 1 1 83 83 LYS CA C 83 53.779 53.779 56.155 -2.376 18842 463 1 1 . 1 1 83 83 LYS H H 83 8.316 8.316 8.418 -0.102 18842 464 1 1 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.470 -0.177 18842 465 1 1 . 1 1 84 84 PRO C C 84 176.883 176.883 176.074 0.809 18842 466 1 1 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.652 -0.176 18842 467 1 1 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.690 -0.249 18842 468 1 1 . 1 1 85 85 GLN N N 85 121.423 121.423 121.648 -0.225 18842 469 1 1 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.132 0.013 18842 470 1 1 . 1 1 85 85 GLN C C 85 175.026 175.026 174.990 0.036 18842 471 1 1 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.283 -0.242 18842 472 1 1 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.446 1.363 18842 473 1 1 . 1 1 85 85 GLN H H 85 8.471 8.471 8.501 -0.030 18842 474 1 1 . 1 1 86 86 ARG N N 86 120.972 120.972 122.801 -1.829 18842 475 1 1 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.882 0.305 18842 476 1 1 . 1 1 86 86 ARG C C 86 175.091 175.091 175.537 -0.446 18842 477 1 1 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.789 0.603 18842 478 1 1 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.795 -0.367 18842 479 1 1 . 1 1 86 86 ARG H H 86 8.265 8.265 8.106 0.159 18842 480 1 1 . 1 1 87 87 HIS N N 87 120.390 120.390 119.874 0.516 18842 481 1 1 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.724 0.021 18842 482 1 1 . 1 1 87 87 HIS C C 87 173.730 173.730 173.847 -0.117 18842 483 1 1 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.349 -0.142 18842 484 1 1 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.152 3.445 18842 485 1 1 . 1 1 87 87 HIS H H 87 8.590 8.590 8.339 0.251 18842 486 1 1 . 1 1 88 88 MET N N 88 126.611 126.611 123.543 3.068 18842 487 1 1 . 1 1 88 88 MET HA H 88 5.320 5.320 4.469 0.851 18842 488 1 1 . 1 1 88 88 MET C C 88 173.520 173.520 174.213 -0.693 18842 489 1 1 . 1 1 88 88 MET CA C 88 54.782 54.782 55.096 -0.314 18842 490 1 1 . 1 1 88 88 MET CB C 88 35.451 35.451 33.449 2.002 18842 491 1 1 . 1 1 88 88 MET H H 88 8.716 8.716 8.739 -0.023 18842 492 1 1 . 1 1 89 89 PHE N N 89 122.328 122.328 122.920 -0.592 18842 493 1 1 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.322 -0.112 18842 494 1 1 . 1 1 89 89 PHE C C 89 174.448 174.448 175.504 -1.056 18842 495 1 1 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.963 0.489 18842 496 1 1 . 1 1 89 89 PHE CB C 89 44.088 44.088 43.129 0.959 18842 497 1 1 . 1 1 89 89 PHE H H 89 8.989 8.989 9.118 -0.129 18842 498 1 1 . 1 1 90 90 SER N N 90 116.094 116.094 116.450 -0.356 18842 499 1 1 . 1 1 90 90 SER HA H 90 5.681 5.681 4.908 0.773 18842 500 1 1 . 1 1 90 90 SER C C 90 173.094 173.094 173.478 -0.384 18842 501 1 1 . 1 1 90 90 SER CA C 90 56.645 56.645 57.409 -0.764 18842 502 1 1 . 1 1 90 90 SER CB C 90 64.824 64.824 64.728 0.096 18842 503 1 1 . 1 1 90 90 SER H H 90 8.680 8.680 8.455 0.225 18842 504 1 1 . 1 1 91 91 PHE N N 91 120.812 120.812 125.485 -4.673 18842 505 1 1 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.814 0.080 18842 506 1 1 . 1 1 91 91 PHE C C 91 174.500 174.500 175.089 -0.589 18842 507 1 1 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.040 0.362 18842 508 1 1 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.412 1.915 18842 509 1 1 . 1 1 91 91 PHE H H 91 9.050 9.050 8.472 0.578 18842 510 1 1 . 1 1 92 92 ASN N N 92 115.876 115.876 118.362 -2.486 18842 511 1 1 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.873 0.229 18842 512 1 1 . 1 1 92 92 ASN C C 92 174.901 174.901 173.397 1.504 18842 513 1 1 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.051 -0.844 18842 514 1 1 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.499 0.365 18842 515 1 1 . 1 1 92 92 ASN H H 92 9.135 9.135 9.064 0.071 18842 516 1 1 . 1 1 93 93 ASN N N 93 118.335 118.335 118.139 0.196 18842 517 1 1 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.814 0.087 18842 518 1 1 . 1 1 93 93 ASN C C 93 174.579 174.579 174.528 0.051 18842 519 1 1 . 1 1 93 93 ASN CA C 93 53.028 53.028 53.281 -0.252 18842 520 1 1 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.551 1.251 18842 521 1 1 . 1 1 93 93 ASN H H 93 7.271 7.271 8.006 -0.735 18842 522 1 1 . 1 1 94 94 ARG N N 94 129.027 129.027 119.332 9.695 18842 523 1 1 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.474 -0.609 18842 524 1 1 . 1 1 94 94 ARG C C 94 176.782 176.782 177.880 -1.098 18842 525 1 1 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.567 0.484 18842 526 1 1 . 1 1 94 94 ARG H H 94 9.334 9.334 8.716 0.618 18842 527 1 1 . 1 1 95 95 THR N N 95 115.756 115.756 116.311 -0.555 18842 528 1 1 . 1 1 95 95 THR HA H 95 4.028 4.028 4.159 -0.131 18842 529 1 1 . 1 1 95 95 THR C C 95 176.742 176.742 176.145 0.597 18842 530 1 1 . 1 1 95 95 THR CA C 95 66.325 66.325 65.772 0.553 18842 531 1 1 . 1 1 95 95 THR CB C 95 68.281 68.281 69.153 -0.872 18842 532 1 1 . 1 1 95 95 THR H H 95 8.000 8.000 8.228 -0.228 18842 533 1 1 . 1 1 96 96 VAL N N 96 121.852 121.852 121.562 0.290 18842 534 1 1 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.855 -0.059 18842 535 1 1 . 1 1 96 96 VAL C C 96 177.587 177.587 176.978 0.609 18842 536 1 1 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.389 -0.431 18842 537 1 1 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.774 0.253 18842 538 1 1 . 1 1 96 96 VAL H H 96 7.609 7.609 8.232 -0.623 18842 539 1 1 . 1 1 97 97 MET N N 97 117.469 117.469 115.486 1.983 18842 540 1 1 . 1 1 97 97 MET HA H 97 2.337 2.337 3.665 -1.328 18842 541 1 1 . 1 1 97 97 MET C C 97 177.257 177.257 177.799 -0.542 18842 542 1 1 . 1 1 97 97 MET H H 97 7.337 7.337 7.582 -0.245 18842 543 1 1 . 1 1 98 98 ASP N N 98 118.162 118.162 120.546 -2.384 18842 544 1 1 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.417 -0.101 18842 545 1 1 . 1 1 98 98 ASP C C 98 178.771 178.771 179.052 -0.281 18842 546 1 1 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.349 0.205 18842 547 1 1 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.200 -0.421 18842 548 1 1 . 1 1 98 98 ASP H H 98 8.729 8.729 7.808 0.921 18842 549 1 1 . 1 1 99 99 ASN N N 99 120.303 120.303 118.272 2.031 18842 550 1 1 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.489 -0.020 18842 551 1 1 . 1 1 99 99 ASN C C 99 178.220 178.220 176.756 1.464 18842 552 1 1 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.564 -0.470 18842 553 1 1 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.708 -0.336 18842 554 1 1 . 1 1 99 99 ASN H H 99 8.104 8.104 7.886 0.218 18842 555 1 1 . 1 1 100 100 ILE N N 100 121.160 121.160 119.384 1.776 18842 556 1 1 . 1 1 100 100 ILE HA H 100 3.646 3.646 4.004 -0.358 18842 557 1 1 . 1 1 100 100 ILE C C 100 177.361 177.361 177.736 -0.375 18842 558 1 1 . 1 1 100 100 ILE CA C 100 62.746 62.746 62.995 -0.249 18842 559 1 1 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.313 -1.611 18842 560 1 1 . 1 1 100 100 ILE H H 100 8.020 8.020 7.578 0.442 18842 561 1 1 . 1 1 101 101 LYS N N 101 120.747 120.747 121.036 -0.289 18842 562 1 1 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.971 -0.287 18842 563 1 1 . 1 1 101 101 LYS C C 101 177.127 177.127 179.310 -2.183 18842 564 1 1 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.761 0.398 18842 565 1 1 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.134 0.863 18842 566 1 1 . 1 1 101 101 LYS H H 101 8.907 8.907 8.379 0.528 18842 567 1 1 . 1 1 102 102 MET N N 102 116.126 116.126 115.156 0.970 18842 568 1 1 . 1 1 102 102 MET HA H 102 4.245 4.245 4.382 -0.137 18842 569 1 1 . 1 1 102 102 MET C C 102 178.941 178.941 177.803 1.138 18842 570 1 1 . 1 1 102 102 MET CA C 102 58.367 58.367 58.045 0.322 18842 571 1 1 . 1 1 102 102 MET CB C 102 32.055 32.055 32.975 -0.920 18842 572 1 1 . 1 1 102 102 MET H H 102 8.002 8.002 7.815 0.187 18842 573 1 1 . 1 1 103 103 THR N N 103 117.988 117.988 116.032 1.956 18842 574 1 1 . 1 1 103 103 THR HA H 103 3.861 3.861 4.212 -0.351 18842 575 1 1 . 1 1 103 103 THR C C 103 176.493 176.493 176.786 -0.293 18842 576 1 1 . 1 1 103 103 THR CA C 103 66.168 66.168 65.988 0.180 18842 577 1 1 . 1 1 103 103 THR CB C 103 67.923 67.923 69.253 -1.330 18842 578 1 1 . 1 1 103 103 THR H H 103 7.694 7.694 7.437 0.257 18842 579 1 1 . 1 1 104 104 LEU N N 104 119.248 119.248 122.843 -3.595 18842 580 1 1 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.960 -0.080 18842 581 1 1 . 1 1 104 104 LEU C C 104 178.072 178.072 178.255 -0.183 18842 582 1 1 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.799 -0.753 18842 583 1 1 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.429 1.465 18842 584 1 1 . 1 1 104 104 LEU H H 104 8.530 8.530 8.955 -0.425 18842 585 1 1 . 1 1 105 105 GLN N N 105 119.071 119.071 117.184 1.887 18842 586 1 1 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.884 0.084 18842 587 1 1 . 1 1 105 105 GLN C C 105 178.675 178.675 178.237 0.438 18842 588 1 1 . 1 1 105 105 GLN CA C 105 59.073 59.073 59.000 0.073 18842 589 1 1 . 1 1 105 105 GLN CB C 105 27.968 27.968 28.351 -0.383 18842 590 1 1 . 1 1 105 105 GLN H H 105 8.623 8.623 7.863 0.760 18842 591 1 1 . 1 1 106 106 GLN N N 106 117.946 117.946 117.421 0.525 18842 592 1 1 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.061 -0.022 18842 593 1 1 . 1 1 106 106 GLN C C 106 178.677 178.677 178.292 0.385 18842 594 1 1 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.141 0.574 18842 595 1 1 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.332 0.132 18842 596 1 1 . 1 1 106 106 GLN H H 106 7.581 7.581 7.878 -0.297 18842 597 1 1 . 1 1 107 107 ILE N N 107 120.013 120.013 118.765 1.248 18842 598 1 1 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.716 -0.251 18842 599 1 1 . 1 1 107 107 ILE C C 107 177.586 177.586 177.270 0.316 18842 600 1 1 . 1 1 107 107 ILE CA C 107 65.482 65.482 63.469 2.013 18842 601 1 1 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.163 0.976 18842 602 1 1 . 1 1 107 107 ILE H H 107 7.801 7.801 7.991 -0.190 18842 603 1 1 . 1 1 108 108 ILE N N 108 117.686 117.686 121.421 -3.735 18842 604 1 1 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.694 0.090 18842 605 1 1 . 1 1 108 108 ILE C C 108 179.171 179.171 178.728 0.443 18842 606 1 1 . 1 1 108 108 ILE CA C 108 65.603 65.603 64.234 1.369 18842 607 1 1 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.613 1.628 18842 608 1 1 . 1 1 108 108 ILE H H 108 8.734 8.734 8.127 0.607 18842 609 1 1 . 1 1 109 109 SER N N 109 114.198 114.198 115.022 -0.824 18842 610 1 1 . 1 1 109 109 SER HA H 109 4.214 4.214 4.117 0.097 18842 611 1 1 . 1 1 109 109 SER C C 109 176.381 176.381 176.435 -0.054 18842 612 1 1 . 1 1 109 109 SER CA C 109 61.564 61.564 61.161 0.403 18842 613 1 1 . 1 1 109 109 SER CB C 109 62.831 62.831 62.699 0.133 18842 614 1 1 . 1 1 109 109 SER H H 109 7.881 7.881 8.053 -0.172 18842 615 1 1 . 1 1 110 110 ARG N N 110 121.010 121.010 121.020 -0.010 18842 616 1 1 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.970 0.167 18842 617 1 1 . 1 1 110 110 ARG C C 110 178.636 178.636 177.959 0.677 18842 618 1 1 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.879 -0.503 18842 619 1 1 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.733 0.117 18842 620 1 1 . 1 1 110 110 ARG H H 110 7.550 7.550 7.772 -0.222 18842 621 1 1 . 1 1 111 111 TYR N N 111 117.243 117.243 116.653 0.590 18842 622 1 1 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.538 0.257 18842 623 1 1 . 1 1 111 111 TYR C C 111 176.218 176.218 177.476 -1.258 18842 624 1 1 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.455 -1.881 18842 625 1 1 . 1 1 111 111 TYR CB C 111 37.492 37.492 38.383 -0.891 18842 626 1 1 . 1 1 111 111 TYR H H 111 7.496 7.496 7.485 0.011 18842 627 1 1 . 1 1 112 112 LYS N N 112 121.040 121.040 120.793 0.247 18842 628 1 1 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.028 0.306 18842 629 1 1 . 1 1 112 112 LYS C C 112 177.437 177.437 178.299 -0.862 18842 630 1 1 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.273 -1.643 18842 631 1 1 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.180 0.410 18842 632 1 1 . 1 1 112 112 LYS H H 112 7.755 7.755 7.409 0.346 18842 633 1 1 . 1 1 113 113 ASP N N 113 120.593 120.593 118.967 1.626 18842 634 1 1 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.418 0.219 18842 635 1 1 . 1 1 113 113 ASP C C 113 176.587 176.587 177.528 -0.941 18842 636 1 1 . 1 1 113 113 ASP CB C 113 41.093 41.093 39.814 1.279 18842 637 1 1 . 1 1 113 113 ASP H H 113 8.246 8.246 8.337 -0.091 18842 638 1 1 . 1 1 114 114 ALA N N 114 123.721 123.721 122.459 1.262 18842 639 1 1 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.217 0.132 18842 640 1 1 . 1 1 114 114 ALA C C 114 178.004 178.004 178.671 -0.667 18842 641 1 1 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.962 -0.076 18842 642 1 1 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.538 -0.273 18842 643 1 1 . 1 1 114 114 ALA H H 114 8.038 8.038 7.853 0.185 18842 644 1 2 . 1 1 2 2 SER N N 2 113.417 113.417 117.164 -3.747 18842 645 1 2 . 1 1 2 2 SER HA H 2 4.355 4.355 4.582 -0.227 18842 646 1 2 . 1 1 2 2 SER CA C 2 58.647 58.647 58.443 0.204 18842 647 1 2 . 1 1 2 2 SER CB C 2 63.504 63.504 63.643 -0.139 18842 648 1 2 . 1 1 2 2 SER H H 2 8.096 8.096 8.379 -0.283 18842 649 1 2 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.775 -0.098 18842 650 1 2 . 1 1 3 3 HIS C C 3 173.601 173.601 172.944 0.657 18842 651 1 2 . 1 1 3 3 HIS CA C 3 56.229 56.229 54.657 1.572 18842 652 1 2 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.587 2.736 18842 653 1 2 . 1 1 4 4 SER N N 4 113.555 113.555 115.454 -1.899 18842 654 1 2 . 1 1 4 4 SER HA H 4 5.483 5.483 5.003 0.480 18842 655 1 2 . 1 1 4 4 SER C C 4 173.624 173.624 172.919 0.705 18842 656 1 2 . 1 1 4 4 SER CA C 4 56.904 56.904 58.268 -1.364 18842 657 1 2 . 1 1 4 4 SER CB C 4 65.900 65.900 65.415 0.486 18842 658 1 2 . 1 1 4 4 SER H H 4 7.865 7.865 7.813 0.052 18842 659 1 2 . 1 1 5 5 GLY N N 5 107.050 107.050 107.901 -0.851 18842 660 1 2 . 1 1 5 5 GLY C C 5 170.915 170.915 172.151 -1.236 18842 661 1 2 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.718 0.699 18842 662 1 2 . 1 1 5 5 GLY H H 5 8.370 8.370 8.783 -0.413 18842 663 1 2 . 1 1 6 6 ALA N N 6 125.347 125.347 123.002 2.345 18842 664 1 2 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.657 0.296 18842 665 1 2 . 1 1 6 6 ALA C C 6 176.816 176.816 176.249 0.567 18842 666 1 2 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.245 0.360 18842 667 1 2 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.990 0.383 18842 668 1 2 . 1 1 6 6 ALA H H 6 8.671 8.671 8.415 0.256 18842 669 1 2 . 1 1 7 7 ALA N N 7 120.077 120.077 126.326 -6.249 18842 670 1 2 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.462 0.200 18842 671 1 2 . 1 1 7 7 ALA C C 7 176.697 176.697 175.993 0.704 18842 672 1 2 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.773 1.895 18842 673 1 2 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.576 2.472 18842 674 1 2 . 1 1 7 7 ALA H H 7 8.391 8.391 7.950 0.441 18842 675 1 2 . 1 1 8 8 ILE N N 8 125.517 125.517 120.179 5.338 18842 676 1 2 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.078 -0.091 18842 677 1 2 . 1 1 8 8 ILE C C 8 175.327 175.327 174.414 0.913 18842 678 1 2 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.165 -1.321 18842 679 1 2 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.088 -1.499 18842 680 1 2 . 1 1 8 8 ILE H H 8 9.383 9.383 8.034 1.349 18842 681 1 2 . 1 1 9 9 PHE N N 9 128.853 128.853 125.297 3.556 18842 682 1 2 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.697 -0.380 18842 683 1 2 . 1 1 9 9 PHE C C 9 173.920 173.920 174.353 -0.433 18842 684 1 2 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.106 0.012 18842 685 1 2 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.800 -1.975 18842 686 1 2 . 1 1 9 9 PHE H H 9 8.467 8.467 9.187 -0.720 18842 687 1 2 . 1 1 10 10 GLU N N 10 126.396 126.396 126.390 0.006 18842 688 1 2 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.493 -0.291 18842 689 1 2 . 1 1 10 10 GLU C C 10 175.226 175.226 175.448 -0.222 18842 690 1 2 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.185 -0.505 18842 691 1 2 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.321 -0.626 18842 692 1 2 . 1 1 10 10 GLU H H 10 8.769 8.769 8.931 -0.162 18842 693 1 2 . 1 1 11 11 LYS N N 11 105.585 105.585 111.640 -6.055 18842 694 1 2 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.923 -0.521 18842 695 1 2 . 1 1 11 11 LYS C C 11 175.596 175.596 175.144 0.452 18842 696 1 2 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.269 1.179 18842 697 1 2 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.006 -0.872 18842 698 1 2 . 1 1 11 11 LYS H H 11 7.931 7.931 8.268 -0.337 18842 699 1 2 . 1 1 12 12 VAL N N 12 123.819 123.819 120.580 3.239 18842 700 1 2 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.362 0.055 18842 701 1 2 . 1 1 12 12 VAL C C 12 175.188 175.188 174.419 0.769 18842 702 1 2 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.286 1.399 18842 703 1 2 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.873 -0.695 18842 704 1 2 . 1 1 12 12 VAL H H 12 7.954 7.954 7.442 0.512 18842 705 1 2 . 1 1 13 13 SER N N 13 121.981 121.981 122.370 -0.389 18842 706 1 2 . 1 1 13 13 SER HA H 13 4.624 4.624 4.860 -0.236 18842 707 1 2 . 1 1 13 13 SER C C 13 175.408 175.408 174.071 1.337 18842 708 1 2 . 1 1 13 13 SER CA C 13 59.766 59.766 58.314 1.452 18842 709 1 2 . 1 1 13 13 SER CB C 13 63.591 63.591 63.988 -0.397 18842 710 1 2 . 1 1 13 13 SER H H 13 8.895 8.895 8.681 0.213 18842 711 1 2 . 1 1 14 14 GLY N N 14 113.215 113.215 112.933 0.282 18842 712 1 2 . 1 1 14 14 GLY C C 14 172.790 172.790 172.383 0.407 18842 713 1 2 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.126 2.411 18842 714 1 2 . 1 1 14 14 GLY H H 14 8.287 8.287 9.536 -1.249 18842 715 1 2 . 1 1 15 15 ILE N N 15 123.244 123.244 119.532 3.712 18842 716 1 2 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.370 0.450 18842 717 1 2 . 1 1 15 15 ILE C C 15 175.417 175.417 174.175 1.242 18842 718 1 2 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.421 -0.118 18842 719 1 2 . 1 1 15 15 ILE CB C 15 41.796 41.796 39.930 1.866 18842 720 1 2 . 1 1 15 15 ILE H H 15 8.330 8.330 7.496 0.834 18842 721 1 2 . 1 1 16 16 ILE N N 16 127.640 127.640 128.660 -1.020 18842 722 1 2 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.450 0.517 18842 723 1 2 . 1 1 16 16 ILE C C 16 173.248 173.248 173.821 -0.573 18842 724 1 2 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.088 -0.276 18842 725 1 2 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.535 2.188 18842 726 1 2 . 1 1 16 16 ILE H H 16 9.438 9.438 9.258 0.180 18842 727 1 2 . 1 1 17 17 ALA N N 17 127.760 127.760 130.963 -3.203 18842 728 1 2 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.855 0.250 18842 729 1 2 . 1 1 17 17 ALA C C 17 177.510 177.510 175.827 1.683 18842 730 1 2 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.270 1.175 18842 731 1 2 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.277 -0.116 18842 732 1 2 . 1 1 17 17 ALA H H 17 8.968 8.968 8.752 0.216 18842 733 1 2 . 1 1 18 18 ILE N N 18 122.269 122.269 124.055 -1.786 18842 734 1 2 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.274 0.317 18842 735 1 2 . 1 1 18 18 ILE C C 18 174.334 174.334 175.877 -1.543 18842 736 1 2 . 1 1 18 18 ILE CA C 18 60.656 60.656 61.323 -0.667 18842 737 1 2 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.164 0.900 18842 738 1 2 . 1 1 18 18 ILE H H 18 8.665 8.665 8.338 0.327 18842 739 1 2 . 1 1 19 19 ASN N N 19 127.568 127.568 126.566 1.002 18842 740 1 2 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.830 0.250 18842 741 1 2 . 1 1 19 19 ASN C C 19 174.784 174.784 175.176 -0.392 18842 742 1 2 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.546 -0.908 18842 743 1 2 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.819 0.772 18842 744 1 2 . 1 1 19 19 ASN H H 19 9.378 9.378 9.048 0.330 18842 745 1 2 . 1 1 20 20 GLU N N 20 121.587 121.587 124.025 -2.438 18842 746 1 2 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.326 0.377 18842 747 1 2 . 1 1 20 20 GLU C C 20 176.152 176.152 176.456 -0.304 18842 748 1 2 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.970 -1.079 18842 749 1 2 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.661 1.206 18842 750 1 2 . 1 1 20 20 GLU H H 20 9.046 9.046 8.520 0.526 18842 751 1 2 . 1 1 21 21 ASP N N 21 121.077 121.077 118.879 2.198 18842 752 1 2 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.678 -0.059 18842 753 1 2 . 1 1 21 21 ASP C C 21 175.688 175.688 176.130 -0.442 18842 754 1 2 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.821 0.691 18842 755 1 2 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.343 -0.867 18842 756 1 2 . 1 1 21 21 ASP H H 21 8.724 8.724 8.259 0.465 18842 757 1 2 . 1 1 22 22 VAL N N 22 113.035 113.035 116.453 -3.418 18842 758 1 2 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.351 -0.033 18842 759 1 2 . 1 1 22 22 VAL C C 22 173.445 173.445 176.436 -2.991 18842 760 1 2 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.222 -1.173 18842 761 1 2 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.690 1.332 18842 762 1 2 . 1 1 22 22 VAL H H 22 6.844 6.844 7.295 -0.451 18842 763 1 2 . 1 1 23 23 SER N N 23 114.945 114.945 115.371 -0.426 18842 764 1 2 . 1 1 23 23 SER HA H 23 4.735 4.735 4.640 0.095 18842 765 1 2 . 1 1 23 23 SER CA C 23 53.765 53.765 61.142 -7.377 18842 766 1 2 . 1 1 23 23 SER CB C 23 64.743 64.743 62.705 2.038 18842 767 1 2 . 1 1 23 23 SER H H 23 8.046 8.046 8.746 -0.700 18842 768 1 2 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.686 0.082 18842 769 1 2 . 1 1 24 24 PRO C C 24 174.807 174.807 175.459 -0.652 18842 770 1 2 . 1 1 24 24 PRO CA C 24 62.760 62.760 63.314 -0.554 18842 771 1 2 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.977 2.764 18842 772 1 2 . 1 1 25 25 ALA N N 25 120.415 120.415 117.593 2.822 18842 773 1 2 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.179 0.336 18842 774 1 2 . 1 1 25 25 ALA C C 25 175.790 175.790 176.221 -0.431 18842 775 1 2 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.730 -0.197 18842 776 1 2 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.535 2.047 18842 777 1 2 . 1 1 25 25 ALA H H 25 7.979 7.979 8.021 -0.042 18842 778 1 2 . 1 1 26 26 GLU N N 26 115.395 115.395 121.963 -6.568 18842 779 1 2 . 1 1 26 26 GLU HA H 26 5.039 5.039 4.959 0.080 18842 780 1 2 . 1 1 26 26 GLU C C 26 174.619 174.619 175.148 -0.529 18842 781 1 2 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.315 -0.286 18842 782 1 2 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.379 1.237 18842 783 1 2 . 1 1 26 26 GLU H H 26 7.851 7.851 8.075 -0.224 18842 784 1 2 . 1 1 27 27 LEU N N 27 124.661 124.661 122.491 2.170 18842 785 1 2 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.804 0.222 18842 786 1 2 . 1 1 27 27 LEU C C 27 174.740 174.740 174.796 -0.056 18842 787 1 2 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.234 -0.453 18842 788 1 2 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.908 0.701 18842 789 1 2 . 1 1 27 27 LEU H H 27 8.898 8.898 9.314 -0.416 18842 790 1 2 . 1 1 28 28 THR N N 28 121.731 121.731 124.201 -2.470 18842 791 1 2 . 1 1 28 28 THR HA H 28 5.207 5.207 4.748 0.459 18842 792 1 2 . 1 1 28 28 THR C C 28 172.661 172.661 173.232 -0.571 18842 793 1 2 . 1 1 28 28 THR CA C 28 61.178 61.178 62.744 -1.566 18842 794 1 2 . 1 1 28 28 THR CB C 28 71.422 71.422 69.445 1.977 18842 795 1 2 . 1 1 28 28 THR H H 28 9.283 9.283 9.059 0.224 18842 796 1 2 . 1 1 29 29 TRP N N 29 128.950 128.950 131.698 -2.748 18842 797 1 2 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.209 0.222 18842 798 1 2 . 1 1 29 29 TRP C C 29 173.939 173.939 174.689 -0.750 18842 799 1 2 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.885 -0.103 18842 800 1 2 . 1 1 29 29 TRP CB C 29 32.177 32.177 31.030 1.147 18842 801 1 2 . 1 1 29 29 TRP H H 29 9.399 9.399 9.406 -0.007 18842 802 1 2 . 1 1 30 30 ARG N N 30 126.402 126.402 130.058 -3.656 18842 803 1 2 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.512 0.317 18842 804 1 2 . 1 1 30 30 ARG C C 30 174.751 174.751 175.944 -1.193 18842 805 1 2 . 1 1 30 30 ARG CA C 30 53.389 53.389 53.509 -0.120 18842 806 1 2 . 1 1 30 30 ARG CB C 30 33.818 33.818 30.902 2.916 18842 807 1 2 . 1 1 30 30 ARG H H 30 7.613 7.613 9.137 -1.524 18842 808 1 2 . 1 1 31 31 SER N N 31 118.353 118.353 120.158 -1.805 18842 809 1 2 . 1 1 31 31 SER HA H 31 4.138 4.138 3.639 0.499 18842 810 1 2 . 1 1 31 31 SER C C 31 176.426 176.426 175.384 1.042 18842 811 1 2 . 1 1 31 31 SER CA C 31 58.013 58.013 58.681 -0.668 18842 812 1 2 . 1 1 31 31 SER CB C 31 64.081 64.081 63.499 0.582 18842 813 1 2 . 1 1 31 31 SER H H 31 8.086 8.086 8.432 -0.346 18842 814 1 2 . 1 1 32 32 THR N N 32 119.213 119.213 115.180 4.033 18842 815 1 2 . 1 1 32 32 THR HA H 32 3.856 3.856 4.096 -0.240 18842 816 1 2 . 1 1 32 32 THR C C 32 175.664 175.664 175.423 0.241 18842 817 1 2 . 1 1 32 32 THR CA C 32 66.142 66.142 64.877 1.265 18842 818 1 2 . 1 1 32 32 THR CB C 32 68.446 68.446 68.649 -0.203 18842 819 1 2 . 1 1 32 32 THR H H 32 8.556 8.556 8.352 0.204 18842 820 1 2 . 1 1 33 33 ASP N N 33 117.260 117.260 120.926 -3.666 18842 821 1 2 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.511 0.116 18842 822 1 2 . 1 1 33 33 ASP C C 33 177.098 177.098 177.555 -0.457 18842 823 1 2 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.127 0.240 18842 824 1 2 . 1 1 33 33 ASP H H 33 8.236 8.236 7.871 0.365 18842 825 1 2 . 1 1 34 34 GLY N N 34 109.136 109.136 108.822 0.314 18842 826 1 2 . 1 1 34 34 GLY C C 34 173.778 173.778 174.357 -0.579 18842 827 1 2 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.098 0.301 18842 828 1 2 . 1 1 34 34 GLY H H 34 7.935 7.935 8.453 -0.518 18842 829 1 2 . 1 1 35 35 ASP N N 35 117.913 117.913 119.132 -1.219 18842 830 1 2 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.834 -0.304 18842 831 1 2 . 1 1 35 35 ASP C C 35 175.403 175.403 175.584 -0.181 18842 832 1 2 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.617 0.194 18842 833 1 2 . 1 1 35 35 ASP CB C 35 41.042 41.042 42.219 -1.177 18842 834 1 2 . 1 1 35 35 ASP H H 35 8.271 8.271 8.319 -0.048 18842 835 1 2 . 1 1 36 36 LYS N N 36 120.335 120.335 120.661 -0.326 18842 836 1 2 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.718 0.189 18842 837 1 2 . 1 1 36 36 LYS C C 36 174.651 174.651 174.488 0.163 18842 838 1 2 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.555 -0.148 18842 839 1 2 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.148 0.687 18842 840 1 2 . 1 1 36 36 LYS H H 36 7.769 7.769 7.543 0.226 18842 841 1 2 . 1 1 37 37 VAL N N 37 121.484 121.484 121.969 -0.485 18842 842 1 2 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.228 0.087 18842 843 1 2 . 1 1 37 37 VAL C C 37 175.069 175.069 175.130 -0.061 18842 844 1 2 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.904 -0.806 18842 845 1 2 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.688 0.370 18842 846 1 2 . 1 1 37 37 VAL H H 37 8.582 8.582 8.665 -0.083 18842 847 1 2 . 1 1 38 38 HIS N N 38 125.660 125.660 128.322 -2.662 18842 848 1 2 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.935 0.149 18842 849 1 2 . 1 1 38 38 HIS C C 38 173.268 173.268 173.836 -0.568 18842 850 1 2 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.682 0.386 18842 851 1 2 . 1 1 38 38 HIS CB C 38 34.088 34.088 32.360 1.728 18842 852 1 2 . 1 1 38 38 HIS H H 38 9.621 9.621 9.400 0.221 18842 853 1 2 . 1 1 39 39 THR N N 39 124.752 124.752 122.125 2.627 18842 854 1 2 . 1 1 39 39 THR HA H 39 5.139 5.139 5.103 0.036 18842 855 1 2 . 1 1 39 39 THR C C 39 173.208 173.208 173.548 -0.340 18842 856 1 2 . 1 1 39 39 THR CA C 39 61.518 61.518 61.039 0.479 18842 857 1 2 . 1 1 39 39 THR CB C 39 70.665 70.665 70.076 0.589 18842 858 1 2 . 1 1 39 39 THR H H 39 8.527 8.527 8.203 0.324 18842 859 1 2 . 1 1 40 40 VAL N N 40 126.002 126.002 123.860 2.142 18842 860 1 2 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.193 -0.269 18842 861 1 2 . 1 1 40 40 VAL C C 40 174.731 174.731 173.767 0.964 18842 862 1 2 . 1 1 40 40 VAL CA C 40 60.350 60.350 61.173 -0.823 18842 863 1 2 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.995 -1.630 18842 864 1 2 . 1 1 40 40 VAL H H 40 9.388 9.388 9.104 0.284 18842 865 1 2 . 1 1 41 41 VAL N N 41 129.872 129.872 128.133 1.739 18842 866 1 2 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.317 -0.333 18842 867 1 2 . 1 1 41 41 VAL C C 41 179.410 179.410 176.321 3.089 18842 868 1 2 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.422 2.194 18842 869 1 2 . 1 1 41 41 VAL CB C 41 30.988 30.988 32.151 -1.163 18842 870 1 2 . 1 1 41 41 VAL H H 41 9.054 9.054 8.809 0.245 18842 871 1 2 . 1 1 42 42 LEU N N 42 130.076 130.076 128.516 1.560 18842 872 1 2 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.193 -0.239 18842 873 1 2 . 1 1 42 42 LEU C C 42 176.121 176.121 178.386 -2.265 18842 874 1 2 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.833 1.790 18842 875 1 2 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.916 -0.093 18842 876 1 2 . 1 1 42 42 LEU H H 42 9.193 9.193 8.921 0.272 18842 877 1 2 . 1 1 43 43 SER N N 43 109.703 109.703 111.542 -1.839 18842 878 1 2 . 1 1 43 43 SER HA H 43 3.944 3.944 3.025 0.919 18842 879 1 2 . 1 1 43 43 SER C C 43 175.455 175.455 174.973 0.482 18842 880 1 2 . 1 1 43 43 SER CA C 43 59.442 59.442 60.706 -1.264 18842 881 1 2 . 1 1 43 43 SER CB C 43 61.299 61.299 63.011 -1.712 18842 882 1 2 . 1 1 43 43 SER H H 43 6.961 6.961 8.384 -1.423 18842 883 1 2 . 1 1 44 44 THR N N 44 110.409 110.409 111.802 -1.393 18842 884 1 2 . 1 1 44 44 THR HA H 44 4.519 4.519 4.209 0.310 18842 885 1 2 . 1 1 44 44 THR C C 44 173.493 173.493 175.033 -1.540 18842 886 1 2 . 1 1 44 44 THR CA C 44 62.076 62.076 62.561 -0.485 18842 887 1 2 . 1 1 44 44 THR CB C 44 69.788 69.788 69.660 0.128 18842 888 1 2 . 1 1 44 44 THR H H 44 7.657 7.657 7.564 0.093 18842 889 1 2 . 1 1 45 45 ILE N N 45 120.972 120.972 124.009 -3.037 18842 890 1 2 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.031 0.294 18842 891 1 2 . 1 1 45 45 ILE C C 45 173.882 173.882 176.519 -2.637 18842 892 1 2 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.636 -3.596 18842 893 1 2 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.197 0.303 18842 894 1 2 . 1 1 45 45 ILE H H 45 7.089 7.089 7.743 -0.654 18842 895 1 2 . 1 1 46 46 ASP N N 46 126.759 126.759 128.276 -1.517 18842 896 1 2 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.364 0.298 18842 897 1 2 . 1 1 46 46 ASP C C 46 175.424 175.424 175.806 -0.382 18842 898 1 2 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.380 -1.363 18842 899 1 2 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.950 2.632 18842 900 1 2 . 1 1 46 46 ASP H H 46 9.372 9.372 8.555 0.817 18842 901 1 2 . 1 1 47 47 LYS N N 47 111.663 111.663 114.392 -2.729 18842 902 1 2 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.595 0.158 18842 903 1 2 . 1 1 47 47 LYS C C 47 172.574 172.574 174.193 -1.619 18842 904 1 2 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.077 -0.462 18842 905 1 2 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.783 0.413 18842 906 1 2 . 1 1 47 47 LYS H H 47 7.522 7.522 7.433 0.089 18842 907 1 2 . 1 1 48 48 LEU N N 48 123.295 123.295 121.142 2.153 18842 908 1 2 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.774 0.369 18842 909 1 2 . 1 1 48 48 LEU C C 48 174.770 174.770 176.279 -1.509 18842 910 1 2 . 1 1 48 48 LEU CA C 48 52.936 52.936 54.042 -1.106 18842 911 1 2 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.772 0.809 18842 912 1 2 . 1 1 48 48 LEU H H 48 8.938 8.938 8.450 0.488 18842 913 1 2 . 1 1 49 49 GLN N N 49 120.979 120.979 120.825 0.154 18842 914 1 2 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.660 0.853 18842 915 1 2 . 1 1 49 49 GLN C C 49 174.626 174.626 173.959 0.667 18842 916 1 2 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.791 -1.160 18842 917 1 2 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.365 0.723 18842 918 1 2 . 1 1 49 49 GLN H H 49 9.246 9.246 8.621 0.625 18842 919 1 2 . 1 1 50 50 ALA N N 50 122.440 122.440 124.972 -2.532 18842 920 1 2 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.648 1.160 18842 921 1 2 . 1 1 50 50 ALA C C 50 177.277 177.277 176.881 0.396 18842 922 1 2 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.182 -0.561 18842 923 1 2 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.541 2.982 18842 924 1 2 . 1 1 50 50 ALA H H 50 9.365 9.365 8.266 1.099 18842 925 1 2 . 1 1 51 51 THR N N 51 114.289 114.289 116.801 -2.512 18842 926 1 2 . 1 1 51 51 THR HA H 51 4.615 4.615 4.269 0.346 18842 927 1 2 . 1 1 51 51 THR CA C 51 59.197 59.197 60.789 -1.592 18842 928 1 2 . 1 1 51 51 THR CB C 51 67.937 67.937 67.617 0.320 18842 929 1 2 . 1 1 51 51 THR H H 51 8.368 8.368 8.399 -0.031 18842 930 1 2 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.296 0.235 18842 931 1 2 . 1 1 52 52 PRO C C 52 178.380 178.380 177.980 0.400 18842 932 1 2 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.762 -0.387 18842 933 1 2 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.199 0.441 18842 934 1 2 . 1 1 53 53 ALA N N 53 126.235 126.235 123.183 3.052 18842 935 1 2 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.052 -0.022 18842 936 1 2 . 1 1 53 53 ALA C C 53 177.700 177.700 178.414 -0.714 18842 937 1 2 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.534 0.261 18842 938 1 2 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.712 -0.693 18842 939 1 2 . 1 1 53 53 ALA H H 53 9.122 9.122 8.490 0.632 18842 940 1 2 . 1 1 54 54 SER N N 54 107.216 107.216 109.966 -2.750 18842 941 1 2 . 1 1 54 54 SER HA H 54 4.238 4.238 4.364 -0.126 18842 942 1 2 . 1 1 54 54 SER C C 54 174.957 174.957 175.243 -0.286 18842 943 1 2 . 1 1 54 54 SER CA C 54 58.260 58.260 59.267 -1.007 18842 944 1 2 . 1 1 54 54 SER CB C 54 63.120 63.120 63.367 -0.247 18842 945 1 2 . 1 1 54 54 SER H H 54 7.620 7.620 7.825 -0.205 18842 946 1 2 . 1 1 55 55 SER N N 55 117.523 117.523 118.756 -1.233 18842 947 1 2 . 1 1 55 55 SER HA H 55 4.469 4.469 4.556 -0.087 18842 948 1 2 . 1 1 55 55 SER C C 55 174.952 174.952 173.835 1.117 18842 949 1 2 . 1 1 55 55 SER CA C 55 57.500 57.500 58.483 -0.983 18842 950 1 2 . 1 1 55 55 SER CB C 55 63.801 63.801 63.517 0.284 18842 951 1 2 . 1 1 55 55 SER H H 55 7.676 7.676 8.076 -0.400 18842 952 1 2 . 1 1 56 56 GLU N N 56 124.557 124.557 125.062 -0.505 18842 953 1 2 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.025 0.154 18842 954 1 2 . 1 1 56 56 GLU C C 56 177.924 177.924 176.437 1.487 18842 955 1 2 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.588 -0.927 18842 956 1 2 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.008 -0.178 18842 957 1 2 . 1 1 56 56 GLU H H 56 8.844 8.844 8.590 0.254 18842 958 1 2 . 1 1 57 57 LYS N N 57 119.220 119.220 118.780 0.440 18842 959 1 2 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.297 -0.001 18842 960 1 2 . 1 1 57 57 LYS C C 57 175.667 175.667 175.915 -0.248 18842 961 1 2 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.127 0.728 18842 962 1 2 . 1 1 57 57 LYS CB C 57 33.855 33.855 31.887 1.968 18842 963 1 2 . 1 1 57 57 LYS H H 57 8.259 8.259 7.935 0.324 18842 964 1 2 . 1 1 58 58 MET N N 58 123.270 123.270 125.575 -2.305 18842 965 1 2 . 1 1 58 58 MET HA H 58 4.288 4.288 4.337 -0.049 18842 966 1 2 . 1 1 58 58 MET C C 58 174.107 174.107 175.727 -1.620 18842 967 1 2 . 1 1 58 58 MET CA C 58 55.067 55.067 56.227 -1.160 18842 968 1 2 . 1 1 58 58 MET CB C 58 35.381 35.381 32.650 2.731 18842 969 1 2 . 1 1 58 58 MET H H 58 8.811 8.811 8.864 -0.053 18842 970 1 2 . 1 1 59 59 MET N N 59 120.490 120.490 122.930 -2.440 18842 971 1 2 . 1 1 59 59 MET HA H 59 5.873 5.873 5.058 0.815 18842 972 1 2 . 1 1 59 59 MET C C 59 174.459 174.459 173.878 0.581 18842 973 1 2 . 1 1 59 59 MET CA C 59 54.903 54.903 55.231 -0.328 18842 974 1 2 . 1 1 59 59 MET CB C 59 39.231 39.231 37.045 2.186 18842 975 1 2 . 1 1 59 59 MET H H 59 8.395 8.395 9.170 -0.775 18842 976 1 2 . 1 1 60 60 LEU N N 60 118.105 118.105 121.872 -3.767 18842 977 1 2 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.846 0.818 18842 978 1 2 . 1 1 60 60 LEU C C 60 175.664 175.664 175.288 0.376 18842 979 1 2 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.666 -0.538 18842 980 1 2 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.531 1.904 18842 981 1 2 . 1 1 60 60 LEU H H 60 9.103 9.103 9.280 -0.177 18842 982 1 2 . 1 1 61 61 ARG N N 61 120.757 120.757 121.271 -0.514 18842 983 1 2 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.363 0.095 18842 984 1 2 . 1 1 61 61 ARG C C 61 173.515 173.515 174.341 -0.826 18842 985 1 2 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.727 -0.003 18842 986 1 2 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.610 1.522 18842 987 1 2 . 1 1 61 61 ARG H H 61 9.287 9.287 8.406 0.881 18842 988 1 2 . 1 1 62 62 LEU N N 62 127.139 127.139 123.688 3.451 18842 989 1 2 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.845 0.184 18842 990 1 2 . 1 1 62 62 LEU C C 62 175.440 175.440 175.214 0.226 18842 991 1 2 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.607 0.793 18842 992 1 2 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.436 -2.333 18842 993 1 2 . 1 1 62 62 LEU H H 62 9.307 9.307 8.848 0.459 18842 994 1 2 . 1 1 63 63 ILE N N 63 123.292 123.292 126.320 -3.028 18842 995 1 2 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.587 0.001 18842 996 1 2 . 1 1 63 63 ILE C C 63 176.319 176.319 176.322 -0.003 18842 997 1 2 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.894 0.493 18842 998 1 2 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.091 0.030 18842 999 1 2 . 1 1 63 63 ILE H H 63 8.891 8.891 8.788 0.103 18842 1000 1 2 . 1 1 64 64 GLY N N 64 115.565 115.565 115.193 0.372 18842 1001 1 2 . 1 1 64 64 GLY C C 64 172.551 172.551 172.789 -0.238 18842 1002 1 2 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.605 1.824 18842 1003 1 2 . 1 1 64 64 GLY H H 64 9.356 9.356 8.474 0.882 18842 1004 1 2 . 1 1 65 65 LYS N N 65 119.442 119.442 119.605 -0.163 18842 1005 1 2 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.204 0.091 18842 1006 1 2 . 1 1 65 65 LYS C C 65 176.205 176.205 176.756 -0.551 18842 1007 1 2 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.907 -0.319 18842 1008 1 2 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.849 1.504 18842 1009 1 2 . 1 1 65 65 LYS H H 65 8.361 8.361 8.320 0.041 18842 1010 1 2 . 1 1 66 66 VAL N N 66 122.131 122.131 126.412 -4.281 18842 1011 1 2 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.265 -0.179 18842 1012 1 2 . 1 1 66 66 VAL C C 66 175.265 175.265 174.739 0.526 18842 1013 1 2 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.549 0.514 18842 1014 1 2 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.548 -0.284 18842 1015 1 2 . 1 1 66 66 VAL H H 66 8.637 8.637 8.635 0.002 18842 1016 1 2 . 1 1 67 67 ASP N N 67 125.510 125.510 118.339 7.171 18842 1017 1 2 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.625 0.102 18842 1018 1 2 . 1 1 67 67 ASP C C 67 176.708 176.708 174.868 1.840 18842 1019 1 2 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.734 -1.594 18842 1020 1 2 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.009 -0.079 18842 1021 1 2 . 1 1 67 67 ASP H H 67 8.460 8.460 8.366 0.094 18842 1022 1 2 . 1 1 68 68 GLU N N 68 124.449 124.449 123.462 0.987 18842 1023 1 2 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.539 -0.451 18842 1024 1 2 . 1 1 68 68 GLU C C 68 177.451 177.451 176.150 1.301 18842 1025 1 2 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.397 1.458 18842 1026 1 2 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.829 -0.152 18842 1027 1 2 . 1 1 68 68 GLU H H 68 8.752 8.752 8.696 0.056 18842 1028 1 2 . 1 1 69 69 SER N N 69 115.515 115.515 114.198 1.317 18842 1029 1 2 . 1 1 69 69 SER HA H 69 4.329 4.329 4.476 -0.147 18842 1030 1 2 . 1 1 69 69 SER C C 69 175.277 175.277 174.666 0.611 18842 1031 1 2 . 1 1 69 69 SER CA C 69 60.139 60.139 59.799 0.340 18842 1032 1 2 . 1 1 69 69 SER CB C 69 63.223 63.223 63.728 -0.505 18842 1033 1 2 . 1 1 69 69 SER H H 69 8.497 8.497 8.151 0.346 18842 1034 1 2 . 1 1 70 70 LYS N N 70 121.733 121.733 119.305 2.428 18842 1035 1 2 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.480 -0.070 18842 1036 1 2 . 1 1 70 70 LYS C C 70 177.124 177.124 176.120 1.004 18842 1037 1 2 . 1 1 70 70 LYS CA C 70 55.324 55.324 55.919 -0.594 18842 1038 1 2 . 1 1 70 70 LYS H H 70 7.689 7.689 7.901 -0.211 18842 1039 1 2 . 1 1 71 71 LYS N N 71 121.012 121.012 118.179 2.833 18842 1040 1 2 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.889 0.518 18842 1041 1 2 . 1 1 71 71 LYS C C 71 176.175 176.175 175.638 0.537 18842 1042 1 2 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.535 -0.923 18842 1043 1 2 . 1 1 71 71 LYS H H 71 7.750 7.750 7.878 -0.128 18842 1044 1 2 . 1 1 72 72 ARG N N 72 122.064 122.064 117.289 4.775 18842 1045 1 2 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.619 -0.018 18842 1046 1 2 . 1 1 72 72 ARG C C 72 175.228 175.228 174.074 1.154 18842 1047 1 2 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.200 -0.271 18842 1048 1 2 . 1 1 72 72 ARG CB C 72 32.325 32.325 31.633 0.692 18842 1049 1 2 . 1 1 72 72 ARG H H 72 8.420 8.420 8.252 0.168 18842 1050 1 2 . 1 1 73 73 LYS N N 73 121.217 121.217 117.885 3.332 18842 1051 1 2 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.793 0.140 18842 1052 1 2 . 1 1 73 73 LYS C C 73 177.010 177.010 176.928 0.082 18842 1053 1 2 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.299 -0.094 18842 1054 1 2 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.389 1.291 18842 1055 1 2 . 1 1 73 73 LYS H H 73 8.401 8.401 8.382 0.019 18842 1056 1 2 . 1 1 74 74 ASP N N 74 122.025 122.025 120.037 1.988 18842 1057 1 2 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.733 -0.023 18842 1058 1 2 . 1 1 74 74 ASP C C 74 177.475 177.475 176.134 1.341 18842 1059 1 2 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.634 -0.878 18842 1060 1 2 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.215 -0.193 18842 1061 1 2 . 1 1 74 74 ASP H H 74 8.582 8.582 8.459 0.123 18842 1062 1 2 . 1 1 75 75 ASN N N 75 116.228 116.228 116.332 -0.104 18842 1063 1 2 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.455 0.081 18842 1064 1 2 . 1 1 75 75 ASN C C 75 175.999 175.999 174.827 1.172 18842 1065 1 2 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.759 0.094 18842 1066 1 2 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.078 1.054 18842 1067 1 2 . 1 1 75 75 ASN H H 75 8.433 8.433 8.667 -0.234 18842 1068 1 2 . 1 1 76 76 GLU N N 76 118.958 118.958 118.200 0.758 18842 1069 1 2 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.500 -0.119 18842 1070 1 2 . 1 1 76 76 GLU C C 76 176.556 176.556 176.726 -0.170 18842 1071 1 2 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.328 -0.166 18842 1072 1 2 . 1 1 76 76 GLU H H 76 8.162 8.162 8.418 -0.256 18842 1073 1 2 . 1 1 77 77 GLY N N 77 108.062 108.062 108.206 -0.144 18842 1074 1 2 . 1 1 77 77 GLY C C 77 174.247 174.247 172.900 1.347 18842 1075 1 2 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.628 0.582 18842 1076 1 2 . 1 1 77 77 GLY H H 77 8.106 8.106 8.051 0.055 18842 1077 1 2 . 1 1 78 78 ASN N N 78 119.929 119.929 118.218 1.711 18842 1078 1 2 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.822 -0.076 18842 1079 1 2 . 1 1 78 78 ASN C C 78 175.035 175.035 173.993 1.042 18842 1080 1 2 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.344 0.451 18842 1081 1 2 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.989 -1.044 18842 1082 1 2 . 1 1 78 78 ASN H H 78 8.569 8.569 8.205 0.364 18842 1083 1 2 . 1 1 79 79 GLU N N 79 121.658 121.658 125.020 -3.362 18842 1084 1 2 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.130 0.351 18842 1085 1 2 . 1 1 79 79 GLU C C 79 176.302 176.302 175.991 0.311 18842 1086 1 2 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.929 -0.267 18842 1087 1 2 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.839 1.804 18842 1088 1 2 . 1 1 79 79 GLU H H 79 8.691 8.691 8.717 -0.026 18842 1089 1 2 . 1 1 80 80 VAL N N 80 123.997 123.997 120.045 3.952 18842 1090 1 2 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.567 -0.312 18842 1091 1 2 . 1 1 80 80 VAL C C 80 175.544 175.544 174.552 0.992 18842 1092 1 2 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.960 1.333 18842 1093 1 2 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.605 -1.062 18842 1094 1 2 . 1 1 80 80 VAL H H 80 8.581 8.581 7.902 0.679 18842 1095 1 2 . 1 1 81 81 VAL N N 81 126.545 126.545 119.083 7.462 18842 1096 1 2 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.431 -0.005 18842 1097 1 2 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.594 0.957 18842 1098 1 2 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.893 1.001 18842 1099 1 2 . 1 1 81 81 VAL H H 81 8.407 8.407 8.188 0.219 18842 1100 1 2 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.409 0.023 18842 1101 1 2 . 1 1 82 82 PRO C C 82 176.036 176.036 176.568 -0.532 18842 1102 1 2 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.671 -0.106 18842 1103 1 2 . 1 1 83 83 LYS N N 83 121.727 121.727 124.568 -2.841 18842 1104 1 2 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.472 0.079 18842 1105 1 2 . 1 1 83 83 LYS CA C 83 53.779 53.779 54.664 -0.885 18842 1106 1 2 . 1 1 83 83 LYS H H 83 8.316 8.316 8.303 0.013 18842 1107 1 2 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.436 -0.143 18842 1108 1 2 . 1 1 84 84 PRO C C 84 176.883 176.883 176.280 0.603 18842 1109 1 2 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.308 0.168 18842 1110 1 2 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.721 -0.280 18842 1111 1 2 . 1 1 85 85 GLN N N 85 121.423 121.423 120.701 0.722 18842 1112 1 2 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.087 0.058 18842 1113 1 2 . 1 1 85 85 GLN C C 85 175.026 175.026 175.151 -0.125 18842 1114 1 2 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.652 -0.611 18842 1115 1 2 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.418 1.391 18842 1116 1 2 . 1 1 85 85 GLN H H 85 8.471 8.471 8.609 -0.138 18842 1117 1 2 . 1 1 86 86 ARG N N 86 120.972 120.972 125.314 -4.342 18842 1118 1 2 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.839 0.348 18842 1119 1 2 . 1 1 86 86 ARG C C 86 175.091 175.091 175.548 -0.457 18842 1120 1 2 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.543 -0.151 18842 1121 1 2 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.297 2.131 18842 1122 1 2 . 1 1 86 86 ARG H H 86 8.265 8.265 8.446 -0.181 18842 1123 1 2 . 1 1 87 87 HIS N N 87 120.390 120.390 124.862 -4.472 18842 1124 1 2 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.642 0.103 18842 1125 1 2 . 1 1 87 87 HIS C C 87 173.730 173.730 173.645 0.085 18842 1126 1 2 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.534 -0.327 18842 1127 1 2 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.023 3.574 18842 1128 1 2 . 1 1 87 87 HIS H H 87 8.590 8.590 8.979 -0.389 18842 1129 1 2 . 1 1 88 88 MET N N 88 126.611 126.611 125.565 1.046 18842 1130 1 2 . 1 1 88 88 MET HA H 88 5.320 5.320 4.427 0.893 18842 1131 1 2 . 1 1 88 88 MET C C 88 173.520 173.520 173.799 -0.279 18842 1132 1 2 . 1 1 88 88 MET CA C 88 54.782 54.782 55.350 -0.568 18842 1133 1 2 . 1 1 88 88 MET CB C 88 35.451 35.451 32.913 2.538 18842 1134 1 2 . 1 1 88 88 MET H H 88 8.716 8.716 8.617 0.099 18842 1135 1 2 . 1 1 89 89 PHE N N 89 122.328 122.328 127.481 -5.153 18842 1136 1 2 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.618 -0.408 18842 1137 1 2 . 1 1 89 89 PHE C C 89 174.448 174.448 175.370 -0.922 18842 1138 1 2 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.469 0.983 18842 1139 1 2 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.607 2.481 18842 1140 1 2 . 1 1 89 89 PHE H H 89 8.989 8.989 9.139 -0.150 18842 1141 1 2 . 1 1 90 90 SER N N 90 116.094 116.094 119.649 -3.555 18842 1142 1 2 . 1 1 90 90 SER HA H 90 5.681 5.681 4.937 0.744 18842 1143 1 2 . 1 1 90 90 SER C C 90 173.094 173.094 173.691 -0.597 18842 1144 1 2 . 1 1 90 90 SER CA C 90 56.645 56.645 57.738 -1.093 18842 1145 1 2 . 1 1 90 90 SER CB C 90 64.824 64.824 63.835 0.989 18842 1146 1 2 . 1 1 90 90 SER H H 90 8.680 8.680 8.548 0.132 18842 1147 1 2 . 1 1 91 91 PHE N N 91 120.812 120.812 123.447 -2.635 18842 1148 1 2 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.664 0.230 18842 1149 1 2 . 1 1 91 91 PHE C C 91 174.500 174.500 175.887 -1.387 18842 1150 1 2 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.869 -0.467 18842 1151 1 2 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.999 2.328 18842 1152 1 2 . 1 1 91 91 PHE H H 91 9.050 9.050 8.911 0.139 18842 1153 1 2 . 1 1 92 92 ASN N N 92 115.876 115.876 118.300 -2.424 18842 1154 1 2 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.868 0.234 18842 1155 1 2 . 1 1 92 92 ASN C C 92 174.901 174.901 173.866 1.035 18842 1156 1 2 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.220 -1.013 18842 1157 1 2 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.266 -0.402 18842 1158 1 2 . 1 1 92 92 ASN H H 92 9.135 9.135 8.873 0.262 18842 1159 1 2 . 1 1 93 93 ASN N N 93 118.335 118.335 117.430 0.905 18842 1160 1 2 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.928 -0.027 18842 1161 1 2 . 1 1 93 93 ASN C C 93 174.579 174.579 175.093 -0.514 18842 1162 1 2 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.851 0.177 18842 1163 1 2 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.731 1.071 18842 1164 1 2 . 1 1 93 93 ASN H H 93 7.271 7.271 8.113 -0.842 18842 1165 1 2 . 1 1 94 94 ARG N N 94 129.027 129.027 121.095 7.932 18842 1166 1 2 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.352 -0.487 18842 1167 1 2 . 1 1 94 94 ARG C C 94 176.782 176.782 177.514 -0.732 18842 1168 1 2 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.629 0.422 18842 1169 1 2 . 1 1 94 94 ARG H H 94 9.334 9.334 8.731 0.603 18842 1170 1 2 . 1 1 95 95 THR N N 95 115.756 115.756 117.511 -1.755 18842 1171 1 2 . 1 1 95 95 THR HA H 95 4.028 4.028 4.126 -0.098 18842 1172 1 2 . 1 1 95 95 THR C C 95 176.742 176.742 176.610 0.132 18842 1173 1 2 . 1 1 95 95 THR CA C 95 66.325 66.325 65.768 0.557 18842 1174 1 2 . 1 1 95 95 THR CB C 95 68.281 68.281 68.615 -0.334 18842 1175 1 2 . 1 1 95 95 THR H H 95 8.000 8.000 7.841 0.159 18842 1176 1 2 . 1 1 96 96 VAL N N 96 121.852 121.852 122.643 -0.791 18842 1177 1 2 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.822 -0.026 18842 1178 1 2 . 1 1 96 96 VAL C C 96 177.587 177.587 177.331 0.256 18842 1179 1 2 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.263 -0.305 18842 1180 1 2 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.466 0.561 18842 1181 1 2 . 1 1 96 96 VAL H H 96 7.609 7.609 8.172 -0.563 18842 1182 1 2 . 1 1 97 97 MET N N 97 117.469 117.469 116.457 1.012 18842 1183 1 2 . 1 1 97 97 MET HA H 97 2.337 2.337 4.300 -1.963 18842 1184 1 2 . 1 1 97 97 MET C C 97 177.257 177.257 177.974 -0.717 18842 1185 1 2 . 1 1 97 97 MET H H 97 7.337 7.337 7.751 -0.414 18842 1186 1 2 . 1 1 98 98 ASP N N 98 118.162 118.162 120.283 -2.121 18842 1187 1 2 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.456 -0.140 18842 1188 1 2 . 1 1 98 98 ASP C C 98 178.771 178.771 178.923 -0.152 18842 1189 1 2 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.282 0.272 18842 1190 1 2 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.812 -1.033 18842 1191 1 2 . 1 1 98 98 ASP H H 98 8.729 8.729 7.994 0.735 18842 1192 1 2 . 1 1 99 99 ASN N N 99 120.303 120.303 118.354 1.949 18842 1193 1 2 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.601 -0.132 18842 1194 1 2 . 1 1 99 99 ASN C C 99 178.220 178.220 177.487 0.733 18842 1195 1 2 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.106 -0.012 18842 1196 1 2 . 1 1 99 99 ASN CB C 99 38.372 38.372 39.014 -0.642 18842 1197 1 2 . 1 1 99 99 ASN H H 99 8.104 8.104 7.944 0.160 18842 1198 1 2 . 1 1 100 100 ILE N N 100 121.160 121.160 121.083 0.077 18842 1199 1 2 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.783 -0.137 18842 1200 1 2 . 1 1 100 100 ILE C C 100 177.361 177.361 177.792 -0.431 18842 1201 1 2 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.854 -2.108 18842 1202 1 2 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.116 -1.414 18842 1203 1 2 . 1 1 100 100 ILE H H 100 8.020 8.020 8.542 -0.522 18842 1204 1 2 . 1 1 101 101 LYS N N 101 120.747 120.747 119.457 1.290 18842 1205 1 2 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.948 -0.264 18842 1206 1 2 . 1 1 101 101 LYS C C 101 177.127 177.127 179.163 -2.036 18842 1207 1 2 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.953 0.207 18842 1208 1 2 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.297 0.700 18842 1209 1 2 . 1 1 101 101 LYS H H 101 8.907 8.907 8.107 0.800 18842 1210 1 2 . 1 1 102 102 MET N N 102 116.126 116.126 115.820 0.306 18842 1211 1 2 . 1 1 102 102 MET HA H 102 4.245 4.245 4.591 -0.346 18842 1212 1 2 . 1 1 102 102 MET C C 102 178.941 178.941 178.452 0.489 18842 1213 1 2 . 1 1 102 102 MET CA C 102 58.367 58.367 57.550 0.817 18842 1214 1 2 . 1 1 102 102 MET CB C 102 32.055 32.055 32.599 -0.544 18842 1215 1 2 . 1 1 102 102 MET H H 102 8.002 8.002 7.558 0.444 18842 1216 1 2 . 1 1 103 103 THR N N 103 117.988 117.988 116.963 1.025 18842 1217 1 2 . 1 1 103 103 THR HA H 103 3.861 3.861 4.197 -0.336 18842 1218 1 2 . 1 1 103 103 THR C C 103 176.493 176.493 176.358 0.135 18842 1219 1 2 . 1 1 103 103 THR CA C 103 66.168 66.168 66.496 -0.328 18842 1220 1 2 . 1 1 103 103 THR CB C 103 67.923 67.923 69.375 -1.452 18842 1221 1 2 . 1 1 103 103 THR H H 103 7.694 7.694 8.286 -0.592 18842 1222 1 2 . 1 1 104 104 LEU N N 104 119.248 119.248 121.601 -2.353 18842 1223 1 2 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.036 -0.156 18842 1224 1 2 . 1 1 104 104 LEU C C 104 178.072 178.072 178.357 -0.285 18842 1225 1 2 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.407 -0.361 18842 1226 1 2 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.597 1.296 18842 1227 1 2 . 1 1 104 104 LEU H H 104 8.530 8.530 8.787 -0.257 18842 1228 1 2 . 1 1 105 105 GLN N N 105 119.071 119.071 117.195 1.876 18842 1229 1 2 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.836 0.132 18842 1230 1 2 . 1 1 105 105 GLN C C 105 178.675 178.675 178.248 0.427 18842 1231 1 2 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.827 0.246 18842 1232 1 2 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.780 0.188 18842 1233 1 2 . 1 1 105 105 GLN H H 105 8.623 8.623 7.805 0.818 18842 1234 1 2 . 1 1 106 106 GLN N N 106 117.946 117.946 119.268 -1.322 18842 1235 1 2 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.065 -0.026 18842 1236 1 2 . 1 1 106 106 GLN C C 106 178.677 178.677 178.382 0.295 18842 1237 1 2 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.497 0.218 18842 1238 1 2 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.434 0.030 18842 1239 1 2 . 1 1 106 106 GLN H H 106 7.581 7.581 7.962 -0.381 18842 1240 1 2 . 1 1 107 107 ILE N N 107 120.013 120.013 118.894 1.119 18842 1241 1 2 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.704 -0.239 18842 1242 1 2 . 1 1 107 107 ILE C C 107 177.586 177.586 177.116 0.470 18842 1243 1 2 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.159 1.323 18842 1244 1 2 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.142 0.998 18842 1245 1 2 . 1 1 107 107 ILE H H 107 7.801 7.801 7.982 -0.181 18842 1246 1 2 . 1 1 108 108 ILE N N 108 117.686 117.686 120.754 -3.068 18842 1247 1 2 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.724 0.060 18842 1248 1 2 . 1 1 108 108 ILE C C 108 179.171 179.171 178.475 0.696 18842 1249 1 2 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.339 2.264 18842 1250 1 2 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.693 1.548 18842 1251 1 2 . 1 1 108 108 ILE H H 108 8.734 8.734 7.847 0.887 18842 1252 1 2 . 1 1 109 109 SER N N 109 114.198 114.198 115.084 -0.886 18842 1253 1 2 . 1 1 109 109 SER HA H 109 4.214 4.214 4.070 0.144 18842 1254 1 2 . 1 1 109 109 SER C C 109 176.381 176.381 176.570 -0.189 18842 1255 1 2 . 1 1 109 109 SER CA C 109 61.564 61.564 61.753 -0.189 18842 1256 1 2 . 1 1 109 109 SER CB C 109 62.831 62.831 62.485 0.346 18842 1257 1 2 . 1 1 109 109 SER H H 109 7.881 7.881 8.433 -0.552 18842 1258 1 2 . 1 1 110 110 ARG N N 110 121.010 121.010 119.838 1.172 18842 1259 1 2 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.899 0.238 18842 1260 1 2 . 1 1 110 110 ARG C C 110 178.636 178.636 177.690 0.946 18842 1261 1 2 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.628 -0.252 18842 1262 1 2 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.757 0.093 18842 1263 1 2 . 1 1 110 110 ARG H H 110 7.550 7.550 7.620 -0.070 18842 1264 1 2 . 1 1 111 111 TYR N N 111 117.243 117.243 115.139 2.104 18842 1265 1 2 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.574 0.221 18842 1266 1 2 . 1 1 111 111 TYR C C 111 176.218 176.218 177.111 -0.893 18842 1267 1 2 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.555 -0.981 18842 1268 1 2 . 1 1 111 111 TYR CB C 111 37.492 37.492 38.163 -0.671 18842 1269 1 2 . 1 1 111 111 TYR H H 111 7.496 7.496 7.647 -0.151 18842 1270 1 2 . 1 1 112 112 LYS N N 112 121.040 121.040 121.593 -0.553 18842 1271 1 2 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.040 0.294 18842 1272 1 2 . 1 1 112 112 LYS C C 112 177.437 177.437 178.410 -0.973 18842 1273 1 2 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.564 -1.934 18842 1274 1 2 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.228 0.362 18842 1275 1 2 . 1 1 112 112 LYS H H 112 7.755 7.755 7.397 0.358 18842 1276 1 2 . 1 1 113 113 ASP N N 113 120.593 120.593 118.331 2.262 18842 1277 1 2 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.442 0.195 18842 1278 1 2 . 1 1 113 113 ASP C C 113 176.587 176.587 177.908 -1.321 18842 1279 1 2 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.534 0.559 18842 1280 1 2 . 1 1 113 113 ASP H H 113 8.246 8.246 7.948 0.298 18842 1281 1 2 . 1 1 114 114 ALA N N 114 123.721 123.721 121.699 2.022 18842 1282 1 2 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.205 0.144 18842 1283 1 2 . 1 1 114 114 ALA C C 114 178.004 178.004 178.275 -0.271 18842 1284 1 2 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.981 -0.095 18842 1285 1 2 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.472 -0.207 18842 1286 1 2 . 1 1 114 114 ALA H H 114 8.038 8.038 7.880 0.158 18842 1287 1 3 . 1 1 2 2 SER N N 2 113.417 113.417 116.428 -3.011 18842 1288 1 3 . 1 1 2 2 SER HA H 2 4.355 4.355 4.625 -0.270 18842 1289 1 3 . 1 1 2 2 SER CA C 2 58.647 58.647 59.211 -0.564 18842 1290 1 3 . 1 1 2 2 SER CB C 2 63.504 63.504 64.309 -0.805 18842 1291 1 3 . 1 1 2 2 SER H H 2 8.096 8.096 8.619 -0.523 18842 1292 1 3 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.805 -0.128 18842 1293 1 3 . 1 1 3 3 HIS C C 3 173.601 173.601 173.756 -0.155 18842 1294 1 3 . 1 1 3 3 HIS CA C 3 56.229 56.229 53.816 2.413 18842 1295 1 3 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.499 2.824 18842 1296 1 3 . 1 1 4 4 SER N N 4 113.555 113.555 114.961 -1.406 18842 1297 1 3 . 1 1 4 4 SER HA H 4 5.483 5.483 5.141 0.342 18842 1298 1 3 . 1 1 4 4 SER C C 4 173.624 173.624 173.272 0.352 18842 1299 1 3 . 1 1 4 4 SER CA C 4 56.904 56.904 58.156 -1.252 18842 1300 1 3 . 1 1 4 4 SER CB C 4 65.900 65.900 66.717 -0.817 18842 1301 1 3 . 1 1 4 4 SER H H 4 7.865 7.865 7.848 0.017 18842 1302 1 3 . 1 1 5 5 GLY N N 5 107.050 107.050 109.044 -1.994 18842 1303 1 3 . 1 1 5 5 GLY C C 5 170.915 170.915 171.944 -1.029 18842 1304 1 3 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.658 0.759 18842 1305 1 3 . 1 1 5 5 GLY H H 5 8.370 8.370 8.863 -0.493 18842 1306 1 3 . 1 1 6 6 ALA N N 6 125.347 125.347 123.670 1.677 18842 1307 1 3 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.625 0.328 18842 1308 1 3 . 1 1 6 6 ALA C C 6 176.816 176.816 176.066 0.750 18842 1309 1 3 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.217 0.388 18842 1310 1 3 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.973 0.400 18842 1311 1 3 . 1 1 6 6 ALA H H 6 8.671 8.671 8.444 0.227 18842 1312 1 3 . 1 1 7 7 ALA N N 7 120.077 120.077 125.987 -5.910 18842 1313 1 3 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.464 0.198 18842 1314 1 3 . 1 1 7 7 ALA C C 7 176.697 176.697 176.000 0.697 18842 1315 1 3 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.792 1.876 18842 1316 1 3 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.439 2.609 18842 1317 1 3 . 1 1 7 7 ALA H H 7 8.391 8.391 7.926 0.465 18842 1318 1 3 . 1 1 8 8 ILE N N 8 125.517 125.517 120.256 5.261 18842 1319 1 3 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.963 0.024 18842 1320 1 3 . 1 1 8 8 ILE C C 8 175.327 175.327 174.348 0.979 18842 1321 1 3 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.089 -1.245 18842 1322 1 3 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.126 -1.537 18842 1323 1 3 . 1 1 8 8 ILE H H 8 9.383 9.383 8.017 1.366 18842 1324 1 3 . 1 1 9 9 PHE N N 9 128.853 128.853 124.525 4.328 18842 1325 1 3 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.730 -0.413 18842 1326 1 3 . 1 1 9 9 PHE C C 9 173.920 173.920 174.498 -0.578 18842 1327 1 3 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.162 -0.044 18842 1328 1 3 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.483 -2.658 18842 1329 1 3 . 1 1 9 9 PHE H H 9 8.467 8.467 9.273 -0.806 18842 1330 1 3 . 1 1 10 10 GLU N N 10 126.396 126.396 125.624 0.772 18842 1331 1 3 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.564 -0.362 18842 1332 1 3 . 1 1 10 10 GLU C C 10 175.226 175.226 175.640 -0.414 18842 1333 1 3 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.375 -0.695 18842 1334 1 3 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.170 -1.475 18842 1335 1 3 . 1 1 10 10 GLU H H 10 8.769 8.769 8.633 0.136 18842 1336 1 3 . 1 1 11 11 LYS N N 11 105.585 105.585 111.817 -6.232 18842 1337 1 3 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.947 -0.545 18842 1338 1 3 . 1 1 11 11 LYS C C 11 175.596 175.596 175.274 0.322 18842 1339 1 3 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.379 1.069 18842 1340 1 3 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.506 -1.372 18842 1341 1 3 . 1 1 11 11 LYS H H 11 7.931 7.931 8.222 -0.291 18842 1342 1 3 . 1 1 12 12 VAL N N 12 123.819 123.819 121.366 2.453 18842 1343 1 3 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.425 -0.008 18842 1344 1 3 . 1 1 12 12 VAL C C 12 175.188 175.188 174.613 0.575 18842 1345 1 3 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.323 1.362 18842 1346 1 3 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.295 -0.116 18842 1347 1 3 . 1 1 12 12 VAL H H 12 7.954 7.954 8.097 -0.143 18842 1348 1 3 . 1 1 13 13 SER N N 13 121.981 121.981 123.465 -1.484 18842 1349 1 3 . 1 1 13 13 SER HA H 13 4.624 4.624 4.783 -0.159 18842 1350 1 3 . 1 1 13 13 SER C C 13 175.408 175.408 173.968 1.440 18842 1351 1 3 . 1 1 13 13 SER CA C 13 59.766 59.766 58.714 1.052 18842 1352 1 3 . 1 1 13 13 SER CB C 13 63.591 63.591 63.873 -0.282 18842 1353 1 3 . 1 1 13 13 SER H H 13 8.895 8.895 8.791 0.104 18842 1354 1 3 . 1 1 14 14 GLY N N 14 113.215 113.215 111.952 1.263 18842 1355 1 3 . 1 1 14 14 GLY C C 14 172.790 172.790 172.368 0.422 18842 1356 1 3 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.609 1.928 18842 1357 1 3 . 1 1 14 14 GLY H H 14 8.287 8.287 9.310 -1.023 18842 1358 1 3 . 1 1 15 15 ILE N N 15 123.244 123.244 119.650 3.594 18842 1359 1 3 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.379 0.441 18842 1360 1 3 . 1 1 15 15 ILE C C 15 175.417 175.417 174.090 1.327 18842 1361 1 3 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.560 -0.257 18842 1362 1 3 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.224 1.571 18842 1363 1 3 . 1 1 15 15 ILE H H 15 8.330 8.330 7.603 0.727 18842 1364 1 3 . 1 1 16 16 ILE N N 16 127.640 127.640 128.640 -1.000 18842 1365 1 3 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.296 0.671 18842 1366 1 3 . 1 1 16 16 ILE C C 16 173.248 173.248 173.728 -0.480 18842 1367 1 3 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.068 -0.256 18842 1368 1 3 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.210 2.513 18842 1369 1 3 . 1 1 16 16 ILE H H 16 9.438 9.438 9.239 0.199 18842 1370 1 3 . 1 1 17 17 ALA N N 17 127.760 127.760 130.881 -3.121 18842 1371 1 3 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.889 0.216 18842 1372 1 3 . 1 1 17 17 ALA C C 17 177.510 177.510 175.575 1.935 18842 1373 1 3 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.078 1.367 18842 1374 1 3 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.516 -0.355 18842 1375 1 3 . 1 1 17 17 ALA H H 17 8.968 8.968 8.613 0.355 18842 1376 1 3 . 1 1 18 18 ILE N N 18 122.269 122.269 123.024 -0.755 18842 1377 1 3 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.371 0.220 18842 1378 1 3 . 1 1 18 18 ILE C C 18 174.334 174.334 175.649 -1.315 18842 1379 1 3 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.730 -0.074 18842 1380 1 3 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.298 0.766 18842 1381 1 3 . 1 1 18 18 ILE H H 18 8.665 8.665 8.443 0.222 18842 1382 1 3 . 1 1 19 19 ASN N N 19 127.568 127.568 127.357 0.211 18842 1383 1 3 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.736 0.344 18842 1384 1 3 . 1 1 19 19 ASN C C 19 174.784 174.784 175.128 -0.344 18842 1385 1 3 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.207 -0.569 18842 1386 1 3 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.400 1.191 18842 1387 1 3 . 1 1 19 19 ASN H H 19 9.378 9.378 8.965 0.413 18842 1388 1 3 . 1 1 20 20 GLU N N 20 121.587 121.587 124.214 -2.627 18842 1389 1 3 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.490 0.213 18842 1390 1 3 . 1 1 20 20 GLU C C 20 176.152 176.152 175.799 0.353 18842 1391 1 3 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.748 -0.857 18842 1392 1 3 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.641 1.226 18842 1393 1 3 . 1 1 20 20 GLU H H 20 9.046 9.046 8.253 0.793 18842 1394 1 3 . 1 1 21 21 ASP N N 21 121.077 121.077 118.261 2.816 18842 1395 1 3 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.757 -0.138 18842 1396 1 3 . 1 1 21 21 ASP C C 21 175.688 175.688 175.982 -0.294 18842 1397 1 3 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.883 0.629 18842 1398 1 3 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.519 -1.043 18842 1399 1 3 . 1 1 21 21 ASP H H 21 8.724 8.724 8.284 0.440 18842 1400 1 3 . 1 1 22 22 VAL N N 22 113.035 113.035 117.759 -4.724 18842 1401 1 3 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.544 -0.226 18842 1402 1 3 . 1 1 22 22 VAL C C 22 173.445 173.445 176.083 -2.638 18842 1403 1 3 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.404 -1.355 18842 1404 1 3 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.352 0.670 18842 1405 1 3 . 1 1 22 22 VAL H H 22 6.844 6.844 7.336 -0.492 18842 1406 1 3 . 1 1 23 23 SER N N 23 114.945 114.945 115.570 -0.625 18842 1407 1 3 . 1 1 23 23 SER HA H 23 4.735 4.735 4.526 0.209 18842 1408 1 3 . 1 1 23 23 SER CA C 23 53.765 53.765 60.193 -6.428 18842 1409 1 3 . 1 1 23 23 SER CB C 23 64.743 64.743 62.270 2.473 18842 1410 1 3 . 1 1 23 23 SER H H 23 8.046 8.046 8.441 -0.395 18842 1411 1 3 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.627 0.141 18842 1412 1 3 . 1 1 24 24 PRO C C 24 174.807 174.807 175.631 -0.824 18842 1413 1 3 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.898 0.862 18842 1414 1 3 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.906 2.835 18842 1415 1 3 . 1 1 25 25 ALA N N 25 120.415 120.415 128.851 -8.436 18842 1416 1 3 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.378 0.137 18842 1417 1 3 . 1 1 25 25 ALA C C 25 175.790 175.790 177.091 -1.301 18842 1418 1 3 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.824 -0.291 18842 1419 1 3 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.285 1.297 18842 1420 1 3 . 1 1 25 25 ALA H H 25 7.979 7.979 8.516 -0.537 18842 1421 1 3 . 1 1 26 26 GLU N N 26 115.395 115.395 122.953 -7.558 18842 1422 1 3 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.025 0.014 18842 1423 1 3 . 1 1 26 26 GLU C C 26 174.619 174.619 175.175 -0.556 18842 1424 1 3 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.215 -0.186 18842 1425 1 3 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.453 1.163 18842 1426 1 3 . 1 1 26 26 GLU H H 26 7.851 7.851 8.173 -0.322 18842 1427 1 3 . 1 1 27 27 LEU N N 27 124.661 124.661 122.643 2.018 18842 1428 1 3 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.830 0.196 18842 1429 1 3 . 1 1 27 27 LEU C C 27 174.740 174.740 174.975 -0.235 18842 1430 1 3 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.182 -0.401 18842 1431 1 3 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.777 0.832 18842 1432 1 3 . 1 1 27 27 LEU H H 27 8.898 8.898 9.326 -0.428 18842 1433 1 3 . 1 1 28 28 THR N N 28 121.731 121.731 124.493 -2.762 18842 1434 1 3 . 1 1 28 28 THR HA H 28 5.207 5.207 4.965 0.242 18842 1435 1 3 . 1 1 28 28 THR C C 28 172.661 172.661 173.461 -0.800 18842 1436 1 3 . 1 1 28 28 THR CA C 28 61.178 61.178 61.888 -0.710 18842 1437 1 3 . 1 1 28 28 THR CB C 28 71.422 71.422 69.530 1.892 18842 1438 1 3 . 1 1 28 28 THR H H 28 9.283 9.283 9.179 0.104 18842 1439 1 3 . 1 1 29 29 TRP N N 29 128.950 128.950 131.488 -2.538 18842 1440 1 3 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.044 0.387 18842 1441 1 3 . 1 1 29 29 TRP C C 29 173.939 173.939 174.419 -0.480 18842 1442 1 3 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.057 -0.275 18842 1443 1 3 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.249 1.928 18842 1444 1 3 . 1 1 29 29 TRP H H 29 9.399 9.399 9.482 -0.083 18842 1445 1 3 . 1 1 30 30 ARG N N 30 126.402 126.402 130.216 -3.814 18842 1446 1 3 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.317 0.512 18842 1447 1 3 . 1 1 30 30 ARG C C 30 174.751 174.751 175.751 -1.000 18842 1448 1 3 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.089 -0.700 18842 1449 1 3 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.530 2.288 18842 1450 1 3 . 1 1 30 30 ARG H H 30 7.613 7.613 9.096 -1.483 18842 1451 1 3 . 1 1 31 31 SER N N 31 118.353 118.353 119.718 -1.365 18842 1452 1 3 . 1 1 31 31 SER HA H 31 4.138 4.138 3.694 0.444 18842 1453 1 3 . 1 1 31 31 SER C C 31 176.426 176.426 175.217 1.209 18842 1454 1 3 . 1 1 31 31 SER CA C 31 58.013 58.013 58.876 -0.863 18842 1455 1 3 . 1 1 31 31 SER CB C 31 64.081 64.081 63.495 0.586 18842 1456 1 3 . 1 1 31 31 SER H H 31 8.086 8.086 8.195 -0.109 18842 1457 1 3 . 1 1 32 32 THR N N 32 119.213 119.213 116.313 2.900 18842 1458 1 3 . 1 1 32 32 THR HA H 32 3.856 3.856 4.202 -0.346 18842 1459 1 3 . 1 1 32 32 THR C C 32 175.664 175.664 175.566 0.098 18842 1460 1 3 . 1 1 32 32 THR CA C 32 66.142 66.142 64.808 1.334 18842 1461 1 3 . 1 1 32 32 THR CB C 32 68.446 68.446 68.958 -0.512 18842 1462 1 3 . 1 1 32 32 THR H H 32 8.556 8.556 8.370 0.186 18842 1463 1 3 . 1 1 33 33 ASP N N 33 117.260 117.260 119.602 -2.342 18842 1464 1 3 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.633 -0.006 18842 1465 1 3 . 1 1 33 33 ASP C C 33 177.098 177.098 177.197 -0.099 18842 1466 1 3 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.915 -0.548 18842 1467 1 3 . 1 1 33 33 ASP H H 33 8.236 8.236 7.835 0.401 18842 1468 1 3 . 1 1 34 34 GLY N N 34 109.136 109.136 107.629 1.507 18842 1469 1 3 . 1 1 34 34 GLY C C 34 173.778 173.778 174.752 -0.974 18842 1470 1 3 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.988 0.411 18842 1471 1 3 . 1 1 34 34 GLY H H 34 7.935 7.935 8.131 -0.196 18842 1472 1 3 . 1 1 35 35 ASP N N 35 117.913 117.913 119.880 -1.967 18842 1473 1 3 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.646 -0.116 18842 1474 1 3 . 1 1 35 35 ASP C C 35 175.403 175.403 176.072 -0.669 18842 1475 1 3 . 1 1 35 35 ASP CA C 35 54.811 54.811 55.325 -0.514 18842 1476 1 3 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.830 -0.788 18842 1477 1 3 . 1 1 35 35 ASP H H 35 8.271 8.271 8.184 0.087 18842 1478 1 3 . 1 1 36 36 LYS N N 36 120.335 120.335 119.738 0.597 18842 1479 1 3 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.752 0.155 18842 1480 1 3 . 1 1 36 36 LYS C C 36 174.651 174.651 174.222 0.429 18842 1481 1 3 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.224 0.183 18842 1482 1 3 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.945 -0.111 18842 1483 1 3 . 1 1 36 36 LYS H H 36 7.769 7.769 7.576 0.193 18842 1484 1 3 . 1 1 37 37 VAL N N 37 121.484 121.484 121.880 -0.396 18842 1485 1 3 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.054 0.261 18842 1486 1 3 . 1 1 37 37 VAL C C 37 175.069 175.069 174.882 0.187 18842 1487 1 3 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.592 0.506 18842 1488 1 3 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.256 0.802 18842 1489 1 3 . 1 1 37 37 VAL H H 37 8.582 8.582 8.605 -0.023 18842 1490 1 3 . 1 1 38 38 HIS N N 38 125.660 125.660 123.770 1.890 18842 1491 1 3 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.886 0.198 18842 1492 1 3 . 1 1 38 38 HIS C C 38 173.268 173.268 173.041 0.227 18842 1493 1 3 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.064 0.004 18842 1494 1 3 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.301 -0.213 18842 1495 1 3 . 1 1 38 38 HIS H H 38 9.621 9.621 8.984 0.637 18842 1496 1 3 . 1 1 39 39 THR N N 39 124.752 124.752 120.612 4.140 18842 1497 1 3 . 1 1 39 39 THR HA H 39 5.139 5.139 5.125 0.014 18842 1498 1 3 . 1 1 39 39 THR C C 39 173.208 173.208 172.824 0.384 18842 1499 1 3 . 1 1 39 39 THR CA C 39 61.518 61.518 61.128 0.390 18842 1500 1 3 . 1 1 39 39 THR CB C 39 70.665 70.665 71.079 -0.414 18842 1501 1 3 . 1 1 39 39 THR H H 39 8.527 8.527 7.838 0.689 18842 1502 1 3 . 1 1 40 40 VAL N N 40 126.002 126.002 125.338 0.664 18842 1503 1 3 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.334 -0.410 18842 1504 1 3 . 1 1 40 40 VAL C C 40 174.731 174.731 173.790 0.941 18842 1505 1 3 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.752 -0.402 18842 1506 1 3 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.249 -1.884 18842 1507 1 3 . 1 1 40 40 VAL H H 40 9.388 9.388 9.146 0.242 18842 1508 1 3 . 1 1 41 41 VAL N N 41 129.872 129.872 128.307 1.565 18842 1509 1 3 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.217 -0.233 18842 1510 1 3 . 1 1 41 41 VAL C C 41 179.410 179.410 176.664 2.746 18842 1511 1 3 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.791 1.825 18842 1512 1 3 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.869 -0.880 18842 1513 1 3 . 1 1 41 41 VAL H H 41 9.054 9.054 8.814 0.240 18842 1514 1 3 . 1 1 42 42 LEU N N 42 130.076 130.076 128.501 1.575 18842 1515 1 3 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.164 -0.210 18842 1516 1 3 . 1 1 42 42 LEU C C 42 176.121 176.121 178.384 -2.263 18842 1517 1 3 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.153 1.469 18842 1518 1 3 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.795 0.028 18842 1519 1 3 . 1 1 42 42 LEU H H 42 9.193 9.193 8.189 1.004 18842 1520 1 3 . 1 1 43 43 SER N N 43 109.703 109.703 111.916 -2.213 18842 1521 1 3 . 1 1 43 43 SER HA H 43 3.944 3.944 2.481 1.463 18842 1522 1 3 . 1 1 43 43 SER C C 43 175.455 175.455 175.740 -0.285 18842 1523 1 3 . 1 1 43 43 SER CA C 43 59.442 59.442 60.321 -0.879 18842 1524 1 3 . 1 1 43 43 SER CB C 43 61.299 61.299 62.578 -1.279 18842 1525 1 3 . 1 1 43 43 SER H H 43 6.961 6.961 8.411 -1.450 18842 1526 1 3 . 1 1 44 44 THR N N 44 110.409 110.409 114.968 -4.559 18842 1527 1 3 . 1 1 44 44 THR HA H 44 4.519 4.519 4.224 0.295 18842 1528 1 3 . 1 1 44 44 THR C C 44 173.493 173.493 175.299 -1.806 18842 1529 1 3 . 1 1 44 44 THR CA C 44 62.076 62.076 63.259 -1.183 18842 1530 1 3 . 1 1 44 44 THR CB C 44 69.788 69.788 69.749 0.039 18842 1531 1 3 . 1 1 44 44 THR H H 44 7.657 7.657 7.811 -0.154 18842 1532 1 3 . 1 1 45 45 ILE N N 45 120.972 120.972 125.135 -4.163 18842 1533 1 3 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.252 0.073 18842 1534 1 3 . 1 1 45 45 ILE C C 45 173.882 173.882 176.319 -2.437 18842 1535 1 3 . 1 1 45 45 ILE CA C 45 58.040 58.040 62.182 -4.142 18842 1536 1 3 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.284 0.216 18842 1537 1 3 . 1 1 45 45 ILE H H 45 7.089 7.089 7.731 -0.642 18842 1538 1 3 . 1 1 46 46 ASP N N 46 126.759 126.759 127.074 -0.315 18842 1539 1 3 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.473 0.189 18842 1540 1 3 . 1 1 46 46 ASP C C 46 175.424 175.424 175.789 -0.365 18842 1541 1 3 . 1 1 46 46 ASP CA C 46 55.017 55.017 55.743 -0.727 18842 1542 1 3 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.600 2.983 18842 1543 1 3 . 1 1 46 46 ASP H H 46 9.372 9.372 8.787 0.585 18842 1544 1 3 . 1 1 47 47 LYS N N 47 111.663 111.663 113.388 -1.725 18842 1545 1 3 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.445 0.308 18842 1546 1 3 . 1 1 47 47 LYS C C 47 172.574 172.574 173.639 -1.065 18842 1547 1 3 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.476 -0.861 18842 1548 1 3 . 1 1 47 47 LYS CB C 47 36.196 36.196 33.722 2.474 18842 1549 1 3 . 1 1 47 47 LYS H H 47 7.522 7.522 7.237 0.285 18842 1550 1 3 . 1 1 48 48 LEU N N 48 123.295 123.295 120.784 2.511 18842 1551 1 3 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.887 0.256 18842 1552 1 3 . 1 1 48 48 LEU C C 48 174.770 174.770 176.513 -1.743 18842 1553 1 3 . 1 1 48 48 LEU CA C 48 52.936 52.936 54.059 -1.123 18842 1554 1 3 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.731 0.849 18842 1555 1 3 . 1 1 48 48 LEU H H 48 8.938 8.938 8.482 0.456 18842 1556 1 3 . 1 1 49 49 GLN N N 49 120.979 120.979 119.798 1.181 18842 1557 1 3 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.619 0.893 18842 1558 1 3 . 1 1 49 49 GLN C C 49 174.626 174.626 173.906 0.720 18842 1559 1 3 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.239 -1.608 18842 1560 1 3 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.244 0.845 18842 1561 1 3 . 1 1 49 49 GLN H H 49 9.246 9.246 8.551 0.695 18842 1562 1 3 . 1 1 50 50 ALA N N 50 122.440 122.440 125.928 -3.488 18842 1563 1 3 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.696 1.112 18842 1564 1 3 . 1 1 50 50 ALA C C 50 177.277 177.277 176.521 0.756 18842 1565 1 3 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.059 -0.438 18842 1566 1 3 . 1 1 50 50 ALA CB C 50 24.523 24.523 22.030 2.493 18842 1567 1 3 . 1 1 50 50 ALA H H 50 9.365 9.365 8.386 0.979 18842 1568 1 3 . 1 1 51 51 THR N N 51 114.289 114.289 116.457 -2.168 18842 1569 1 3 . 1 1 51 51 THR HA H 51 4.615 4.615 4.590 0.025 18842 1570 1 3 . 1 1 51 51 THR CA C 51 59.197 59.197 59.917 -0.720 18842 1571 1 3 . 1 1 51 51 THR CB C 51 67.937 67.937 68.343 -0.406 18842 1572 1 3 . 1 1 51 51 THR H H 51 8.368 8.368 8.164 0.204 18842 1573 1 3 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.280 0.251 18842 1574 1 3 . 1 1 52 52 PRO C C 52 178.380 178.380 178.104 0.276 18842 1575 1 3 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.864 -0.489 18842 1576 1 3 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.026 0.614 18842 1577 1 3 . 1 1 53 53 ALA N N 53 126.235 126.235 122.809 3.426 18842 1578 1 3 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.075 -0.045 18842 1579 1 3 . 1 1 53 53 ALA C C 53 177.700 177.700 178.920 -1.220 18842 1580 1 3 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.391 0.404 18842 1581 1 3 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.519 -0.500 18842 1582 1 3 . 1 1 53 53 ALA H H 53 9.122 9.122 8.476 0.646 18842 1583 1 3 . 1 1 54 54 SER N N 54 107.216 107.216 111.990 -4.774 18842 1584 1 3 . 1 1 54 54 SER HA H 54 4.238 4.238 4.357 -0.119 18842 1585 1 3 . 1 1 54 54 SER C C 54 174.957 174.957 174.800 0.157 18842 1586 1 3 . 1 1 54 54 SER CA C 54 58.260 58.260 59.847 -1.587 18842 1587 1 3 . 1 1 54 54 SER CB C 54 63.120 63.120 63.284 -0.164 18842 1588 1 3 . 1 1 54 54 SER H H 54 7.620 7.620 7.994 -0.374 18842 1589 1 3 . 1 1 55 55 SER N N 55 117.523 117.523 116.924 0.599 18842 1590 1 3 . 1 1 55 55 SER HA H 55 4.469 4.469 4.518 -0.049 18842 1591 1 3 . 1 1 55 55 SER C C 55 174.952 174.952 173.587 1.365 18842 1592 1 3 . 1 1 55 55 SER CA C 55 57.500 57.500 58.264 -0.764 18842 1593 1 3 . 1 1 55 55 SER CB C 55 63.801 63.801 63.918 -0.117 18842 1594 1 3 . 1 1 55 55 SER H H 55 7.676 7.676 8.031 -0.355 18842 1595 1 3 . 1 1 56 56 GLU N N 56 124.557 124.557 125.994 -1.437 18842 1596 1 3 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.059 0.120 18842 1597 1 3 . 1 1 56 56 GLU C C 56 177.924 177.924 176.176 1.748 18842 1598 1 3 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.326 -0.665 18842 1599 1 3 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.941 -0.112 18842 1600 1 3 . 1 1 56 56 GLU H H 56 8.844 8.844 8.786 0.058 18842 1601 1 3 . 1 1 57 57 LYS N N 57 119.220 119.220 119.111 0.109 18842 1602 1 3 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.433 -0.137 18842 1603 1 3 . 1 1 57 57 LYS C C 57 175.667 175.667 175.619 0.048 18842 1604 1 3 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.469 1.385 18842 1605 1 3 . 1 1 57 57 LYS CB C 57 33.855 33.855 31.869 1.986 18842 1606 1 3 . 1 1 57 57 LYS H H 57 8.259 8.259 7.901 0.358 18842 1607 1 3 . 1 1 58 58 MET N N 58 123.270 123.270 125.394 -2.124 18842 1608 1 3 . 1 1 58 58 MET HA H 58 4.288 4.288 4.646 -0.358 18842 1609 1 3 . 1 1 58 58 MET C C 58 174.107 174.107 175.563 -1.456 18842 1610 1 3 . 1 1 58 58 MET CA C 58 55.067 55.067 55.340 -0.273 18842 1611 1 3 . 1 1 58 58 MET CB C 58 35.381 35.381 32.183 3.198 18842 1612 1 3 . 1 1 58 58 MET H H 58 8.811 8.811 8.866 -0.055 18842 1613 1 3 . 1 1 59 59 MET N N 59 120.490 120.490 121.659 -1.169 18842 1614 1 3 . 1 1 59 59 MET HA H 59 5.873 5.873 5.165 0.708 18842 1615 1 3 . 1 1 59 59 MET C C 59 174.459 174.459 174.123 0.336 18842 1616 1 3 . 1 1 59 59 MET CA C 59 54.903 54.903 55.177 -0.274 18842 1617 1 3 . 1 1 59 59 MET CB C 59 39.231 39.231 37.065 2.166 18842 1618 1 3 . 1 1 59 59 MET H H 59 8.395 8.395 9.311 -0.916 18842 1619 1 3 . 1 1 60 60 LEU N N 60 118.105 118.105 122.148 -4.043 18842 1620 1 3 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.918 0.746 18842 1621 1 3 . 1 1 60 60 LEU C C 60 175.664 175.664 175.572 0.092 18842 1622 1 3 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.814 -0.686 18842 1623 1 3 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.843 2.592 18842 1624 1 3 . 1 1 60 60 LEU H H 60 9.103 9.103 9.223 -0.120 18842 1625 1 3 . 1 1 61 61 ARG N N 61 120.757 120.757 121.387 -0.630 18842 1626 1 3 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.437 0.021 18842 1627 1 3 . 1 1 61 61 ARG C C 61 173.515 173.515 174.309 -0.794 18842 1628 1 3 . 1 1 61 61 ARG CA C 61 54.724 54.724 53.919 0.805 18842 1629 1 3 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.935 1.197 18842 1630 1 3 . 1 1 61 61 ARG H H 61 9.287 9.287 8.842 0.445 18842 1631 1 3 . 1 1 62 62 LEU N N 62 127.139 127.139 123.333 3.806 18842 1632 1 3 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.838 0.191 18842 1633 1 3 . 1 1 62 62 LEU C C 62 175.440 175.440 175.637 -0.197 18842 1634 1 3 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.565 0.835 18842 1635 1 3 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.472 -2.369 18842 1636 1 3 . 1 1 62 62 LEU H H 62 9.307 9.307 8.384 0.923 18842 1637 1 3 . 1 1 63 63 ILE N N 63 123.292 123.292 125.783 -2.491 18842 1638 1 3 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.916 -0.328 18842 1639 1 3 . 1 1 63 63 ILE C C 63 176.319 176.319 176.152 0.167 18842 1640 1 3 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.432 0.955 18842 1641 1 3 . 1 1 63 63 ILE CB C 63 38.121 38.121 39.076 -0.955 18842 1642 1 3 . 1 1 63 63 ILE H H 63 8.891 8.891 8.755 0.136 18842 1643 1 3 . 1 1 64 64 GLY N N 64 115.565 115.565 110.370 5.195 18842 1644 1 3 . 1 1 64 64 GLY C C 64 172.551 172.551 172.574 -0.023 18842 1645 1 3 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.343 2.086 18842 1646 1 3 . 1 1 64 64 GLY H H 64 9.356 9.356 7.902 1.454 18842 1647 1 3 . 1 1 65 65 LYS N N 65 119.442 119.442 119.317 0.125 18842 1648 1 3 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.377 -0.082 18842 1649 1 3 . 1 1 65 65 LYS C C 65 176.205 176.205 176.057 0.148 18842 1650 1 3 . 1 1 65 65 LYS CA C 65 56.588 56.588 55.165 1.423 18842 1651 1 3 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.704 1.649 18842 1652 1 3 . 1 1 65 65 LYS H H 65 8.361 8.361 8.306 0.055 18842 1653 1 3 . 1 1 66 66 VAL N N 66 122.131 122.131 124.275 -2.144 18842 1654 1 3 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.015 0.071 18842 1655 1 3 . 1 1 66 66 VAL C C 66 175.265 175.265 174.489 0.776 18842 1656 1 3 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.641 0.422 18842 1657 1 3 . 1 1 66 66 VAL CB C 66 33.264 33.264 31.888 1.376 18842 1658 1 3 . 1 1 66 66 VAL H H 66 8.637 8.637 8.651 -0.014 18842 1659 1 3 . 1 1 67 67 ASP N N 67 125.510 125.510 118.158 7.352 18842 1660 1 3 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.319 0.408 18842 1661 1 3 . 1 1 67 67 ASP C C 67 176.708 176.708 174.960 1.748 18842 1662 1 3 . 1 1 67 67 ASP CA C 67 53.140 53.140 55.149 -2.009 18842 1663 1 3 . 1 1 67 67 ASP CB C 67 40.930 40.930 40.921 0.009 18842 1664 1 3 . 1 1 67 67 ASP H H 67 8.460 8.460 8.052 0.408 18842 1665 1 3 . 1 1 68 68 GLU N N 68 124.449 124.449 119.009 5.440 18842 1666 1 3 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.503 -0.415 18842 1667 1 3 . 1 1 68 68 GLU C C 68 177.451 177.451 176.744 0.707 18842 1668 1 3 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.146 1.709 18842 1669 1 3 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.449 -0.772 18842 1670 1 3 . 1 1 68 68 GLU H H 68 8.752 8.752 8.551 0.201 18842 1671 1 3 . 1 1 69 69 SER N N 69 115.515 115.515 115.525 -0.010 18842 1672 1 3 . 1 1 69 69 SER HA H 69 4.329 4.329 4.406 -0.077 18842 1673 1 3 . 1 1 69 69 SER C C 69 175.277 175.277 174.075 1.202 18842 1674 1 3 . 1 1 69 69 SER CA C 69 60.139 60.139 57.939 2.200 18842 1675 1 3 . 1 1 69 69 SER CB C 69 63.223 63.223 62.410 0.813 18842 1676 1 3 . 1 1 69 69 SER H H 69 8.497 8.497 8.327 0.170 18842 1677 1 3 . 1 1 70 70 LYS N N 70 121.733 121.733 120.463 1.270 18842 1678 1 3 . 1 1 70 70 LYS HA H 70 4.410 4.410 3.972 0.438 18842 1679 1 3 . 1 1 70 70 LYS C C 70 177.124 177.124 175.411 1.713 18842 1680 1 3 . 1 1 70 70 LYS CA C 70 55.324 55.324 57.355 -2.031 18842 1681 1 3 . 1 1 70 70 LYS H H 70 7.689 7.689 7.699 -0.010 18842 1682 1 3 . 1 1 71 71 LYS N N 71 121.012 121.012 122.251 -1.239 18842 1683 1 3 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.371 0.036 18842 1684 1 3 . 1 1 71 71 LYS C C 71 176.175 176.175 176.917 -0.742 18842 1685 1 3 . 1 1 71 71 LYS CA C 71 56.612 56.612 55.802 0.810 18842 1686 1 3 . 1 1 71 71 LYS H H 71 7.750 7.750 8.185 -0.435 18842 1687 1 3 . 1 1 72 72 ARG N N 72 122.064 122.064 118.962 3.102 18842 1688 1 3 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.754 -0.153 18842 1689 1 3 . 1 1 72 72 ARG C C 72 175.228 175.228 175.139 0.089 18842 1690 1 3 . 1 1 72 72 ARG CA C 72 54.929 54.929 54.868 0.061 18842 1691 1 3 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.274 0.051 18842 1692 1 3 . 1 1 72 72 ARG H H 72 8.420 8.420 8.355 0.065 18842 1693 1 3 . 1 1 73 73 LYS N N 73 121.217 121.217 117.270 3.947 18842 1694 1 3 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.698 0.235 18842 1695 1 3 . 1 1 73 73 LYS C C 73 177.010 177.010 176.133 0.877 18842 1696 1 3 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.258 -0.052 18842 1697 1 3 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.990 0.690 18842 1698 1 3 . 1 1 73 73 LYS H H 73 8.401 8.401 8.187 0.214 18842 1699 1 3 . 1 1 74 74 ASP N N 74 122.025 122.025 120.322 1.703 18842 1700 1 3 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.756 -0.046 18842 1701 1 3 . 1 1 74 74 ASP C C 74 177.475 177.475 176.011 1.464 18842 1702 1 3 . 1 1 74 74 ASP CA C 74 52.756 52.756 54.169 -1.413 18842 1703 1 3 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.086 -0.064 18842 1704 1 3 . 1 1 74 74 ASP H H 74 8.582 8.582 8.584 -0.002 18842 1705 1 3 . 1 1 75 75 ASN N N 75 116.228 116.228 114.937 1.291 18842 1706 1 3 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.428 0.108 18842 1707 1 3 . 1 1 75 75 ASN C C 75 175.999 175.999 174.056 1.943 18842 1708 1 3 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.703 0.150 18842 1709 1 3 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.925 0.207 18842 1710 1 3 . 1 1 75 75 ASN H H 75 8.433 8.433 8.668 -0.235 18842 1711 1 3 . 1 1 76 76 GLU N N 76 118.958 118.958 119.761 -0.803 18842 1712 1 3 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.474 -0.093 18842 1713 1 3 . 1 1 76 76 GLU C C 76 176.556 176.556 176.482 0.074 18842 1714 1 3 . 1 1 76 76 GLU CA C 76 56.163 56.163 55.899 0.264 18842 1715 1 3 . 1 1 76 76 GLU H H 76 8.162 8.162 7.889 0.273 18842 1716 1 3 . 1 1 77 77 GLY N N 77 108.062 108.062 111.838 -3.776 18842 1717 1 3 . 1 1 77 77 GLY C C 77 174.247 174.247 174.257 -0.010 18842 1718 1 3 . 1 1 77 77 GLY CA C 77 45.210 45.210 45.986 -0.776 18842 1719 1 3 . 1 1 77 77 GLY H H 77 8.106 8.106 8.500 -0.394 18842 1720 1 3 . 1 1 78 78 ASN N N 78 119.929 119.929 117.926 2.003 18842 1721 1 3 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.884 -0.138 18842 1722 1 3 . 1 1 78 78 ASN C C 78 175.035 175.035 173.886 1.149 18842 1723 1 3 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.072 0.723 18842 1724 1 3 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.161 -0.216 18842 1725 1 3 . 1 1 78 78 ASN H H 78 8.569 8.569 8.259 0.310 18842 1726 1 3 . 1 1 79 79 GLU N N 79 121.658 121.658 122.352 -0.694 18842 1727 1 3 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.339 0.142 18842 1728 1 3 . 1 1 79 79 GLU C C 79 176.302 176.302 175.548 0.754 18842 1729 1 3 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.519 0.143 18842 1730 1 3 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.385 2.258 18842 1731 1 3 . 1 1 79 79 GLU H H 79 8.691 8.691 8.594 0.097 18842 1732 1 3 . 1 1 80 80 VAL N N 80 123.997 123.997 119.901 4.096 18842 1733 1 3 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.468 -0.213 18842 1734 1 3 . 1 1 80 80 VAL C C 80 175.544 175.544 174.205 1.339 18842 1735 1 3 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.692 1.601 18842 1736 1 3 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.170 -0.627 18842 1737 1 3 . 1 1 80 80 VAL H H 80 8.581 8.581 7.837 0.744 18842 1738 1 3 . 1 1 81 81 VAL N N 81 126.545 126.545 119.425 7.120 18842 1739 1 3 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.361 0.065 18842 1740 1 3 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.446 0.105 18842 1741 1 3 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.903 0.991 18842 1742 1 3 . 1 1 81 81 VAL H H 81 8.407 8.407 8.165 0.242 18842 1743 1 3 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.296 0.136 18842 1744 1 3 . 1 1 82 82 PRO C C 82 176.036 176.036 176.091 -0.055 18842 1745 1 3 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.678 -0.113 18842 1746 1 3 . 1 1 83 83 LYS N N 83 121.727 121.727 122.500 -0.773 18842 1747 1 3 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.135 0.416 18842 1748 1 3 . 1 1 83 83 LYS CA C 83 53.779 53.779 56.401 -2.622 18842 1749 1 3 . 1 1 83 83 LYS H H 83 8.316 8.316 8.405 -0.089 18842 1750 1 3 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.344 -0.051 18842 1751 1 3 . 1 1 84 84 PRO C C 84 176.883 176.883 176.350 0.533 18842 1752 1 3 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.603 -0.127 18842 1753 1 3 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.185 0.256 18842 1754 1 3 . 1 1 85 85 GLN N N 85 121.423 121.423 118.038 3.385 18842 1755 1 3 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.176 -0.031 18842 1756 1 3 . 1 1 85 85 GLN C C 85 175.026 175.026 174.878 0.148 18842 1757 1 3 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.817 -0.776 18842 1758 1 3 . 1 1 85 85 GLN CB C 85 29.809 29.809 29.795 0.014 18842 1759 1 3 . 1 1 85 85 GLN H H 85 8.471 8.471 8.302 0.169 18842 1760 1 3 . 1 1 86 86 ARG N N 86 120.972 120.972 118.732 2.240 18842 1761 1 3 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.802 0.385 18842 1762 1 3 . 1 1 86 86 ARG C C 86 175.091 175.091 174.795 0.296 18842 1763 1 3 . 1 1 86 86 ARG CA C 86 54.392 54.392 56.002 -1.610 18842 1764 1 3 . 1 1 86 86 ARG CB C 86 33.428 33.428 32.552 0.876 18842 1765 1 3 . 1 1 86 86 ARG H H 86 8.265 8.265 8.396 -0.131 18842 1766 1 3 . 1 1 87 87 HIS N N 87 120.390 120.390 124.041 -3.651 18842 1767 1 3 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.720 0.025 18842 1768 1 3 . 1 1 87 87 HIS C C 87 173.730 173.730 173.596 0.134 18842 1769 1 3 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.519 -0.312 18842 1770 1 3 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.994 2.603 18842 1771 1 3 . 1 1 87 87 HIS H H 87 8.590 8.590 8.852 -0.262 18842 1772 1 3 . 1 1 88 88 MET N N 88 126.611 126.611 125.065 1.546 18842 1773 1 3 . 1 1 88 88 MET HA H 88 5.320 5.320 4.286 1.034 18842 1774 1 3 . 1 1 88 88 MET C C 88 173.520 173.520 173.781 -0.261 18842 1775 1 3 . 1 1 88 88 MET CA C 88 54.782 54.782 55.307 -0.525 18842 1776 1 3 . 1 1 88 88 MET CB C 88 35.451 35.451 33.372 2.079 18842 1777 1 3 . 1 1 88 88 MET H H 88 8.716 8.716 8.561 0.155 18842 1778 1 3 . 1 1 89 89 PHE N N 89 122.328 122.328 125.011 -2.683 18842 1779 1 3 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.572 -0.362 18842 1780 1 3 . 1 1 89 89 PHE C C 89 174.448 174.448 175.058 -0.610 18842 1781 1 3 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.712 0.740 18842 1782 1 3 . 1 1 89 89 PHE CB C 89 44.088 44.088 42.237 1.851 18842 1783 1 3 . 1 1 89 89 PHE H H 89 8.989 8.989 9.048 -0.059 18842 1784 1 3 . 1 1 90 90 SER N N 90 116.094 116.094 118.472 -2.378 18842 1785 1 3 . 1 1 90 90 SER HA H 90 5.681 5.681 4.934 0.747 18842 1786 1 3 . 1 1 90 90 SER C C 90 173.094 173.094 174.130 -1.036 18842 1787 1 3 . 1 1 90 90 SER CA C 90 56.645 56.645 56.967 -0.322 18842 1788 1 3 . 1 1 90 90 SER CB C 90 64.824 64.824 63.975 0.849 18842 1789 1 3 . 1 1 90 90 SER H H 90 8.680 8.680 8.517 0.163 18842 1790 1 3 . 1 1 91 91 PHE N N 91 120.812 120.812 126.646 -5.834 18842 1791 1 3 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.592 0.302 18842 1792 1 3 . 1 1 91 91 PHE C C 91 174.500 174.500 175.835 -1.335 18842 1793 1 3 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.397 0.005 18842 1794 1 3 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.432 2.895 18842 1795 1 3 . 1 1 91 91 PHE H H 91 9.050 9.050 8.242 0.808 18842 1796 1 3 . 1 1 92 92 ASN N N 92 115.876 115.876 119.016 -3.140 18842 1797 1 3 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.854 0.248 18842 1798 1 3 . 1 1 92 92 ASN C C 92 174.901 174.901 174.373 0.528 18842 1799 1 3 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.053 -0.846 18842 1800 1 3 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.244 0.620 18842 1801 1 3 . 1 1 92 92 ASN H H 92 9.135 9.135 8.820 0.315 18842 1802 1 3 . 1 1 93 93 ASN N N 93 118.335 118.335 117.961 0.374 18842 1803 1 3 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.782 0.119 18842 1804 1 3 . 1 1 93 93 ASN C C 93 174.579 174.579 174.492 0.087 18842 1805 1 3 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.650 0.378 18842 1806 1 3 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.053 1.750 18842 1807 1 3 . 1 1 93 93 ASN H H 93 7.271 7.271 8.060 -0.789 18842 1808 1 3 . 1 1 94 94 ARG N N 94 129.027 129.027 117.863 11.164 18842 1809 1 3 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.453 -0.588 18842 1810 1 3 . 1 1 94 94 ARG C C 94 176.782 176.782 177.474 -0.692 18842 1811 1 3 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.116 0.935 18842 1812 1 3 . 1 1 94 94 ARG H H 94 9.334 9.334 8.613 0.721 18842 1813 1 3 . 1 1 95 95 THR N N 95 115.756 115.756 116.424 -0.668 18842 1814 1 3 . 1 1 95 95 THR HA H 95 4.028 4.028 4.234 -0.206 18842 1815 1 3 . 1 1 95 95 THR C C 95 176.742 176.742 175.709 1.033 18842 1816 1 3 . 1 1 95 95 THR CA C 95 66.325 66.325 65.803 0.522 18842 1817 1 3 . 1 1 95 95 THR CB C 95 68.281 68.281 68.334 -0.053 18842 1818 1 3 . 1 1 95 95 THR H H 95 8.000 8.000 7.894 0.106 18842 1819 1 3 . 1 1 96 96 VAL N N 96 121.852 121.852 120.351 1.501 18842 1820 1 3 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.895 -0.099 18842 1821 1 3 . 1 1 96 96 VAL C C 96 177.587 177.587 176.981 0.606 18842 1822 1 3 . 1 1 96 96 VAL CA C 96 65.958 65.958 65.614 0.344 18842 1823 1 3 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.443 0.584 18842 1824 1 3 . 1 1 96 96 VAL H H 96 7.609 7.609 8.160 -0.551 18842 1825 1 3 . 1 1 97 97 MET N N 97 117.469 117.469 116.360 1.109 18842 1826 1 3 . 1 1 97 97 MET HA H 97 2.337 2.337 4.409 -2.072 18842 1827 1 3 . 1 1 97 97 MET C C 97 177.257 177.257 177.825 -0.568 18842 1828 1 3 . 1 1 97 97 MET H H 97 7.337 7.337 7.813 -0.476 18842 1829 1 3 . 1 1 98 98 ASP N N 98 118.162 118.162 119.962 -1.800 18842 1830 1 3 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.498 -0.182 18842 1831 1 3 . 1 1 98 98 ASP C C 98 178.771 178.771 178.725 0.046 18842 1832 1 3 . 1 1 98 98 ASP CA C 98 57.554 57.554 56.970 0.584 18842 1833 1 3 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.813 -1.034 18842 1834 1 3 . 1 1 98 98 ASP H H 98 8.729 8.729 8.035 0.694 18842 1835 1 3 . 1 1 99 99 ASN N N 99 120.303 120.303 117.593 2.710 18842 1836 1 3 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.648 -0.179 18842 1837 1 3 . 1 1 99 99 ASN C C 99 178.220 178.220 176.528 1.692 18842 1838 1 3 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.703 0.391 18842 1839 1 3 . 1 1 99 99 ASN CB C 99 38.372 38.372 39.023 -0.651 18842 1840 1 3 . 1 1 99 99 ASN H H 99 8.104 8.104 7.710 0.394 18842 1841 1 3 . 1 1 100 100 ILE N N 100 121.160 121.160 120.731 0.429 18842 1842 1 3 . 1 1 100 100 ILE HA H 100 3.646 3.646 4.022 -0.376 18842 1843 1 3 . 1 1 100 100 ILE C C 100 177.361 177.361 177.731 -0.370 18842 1844 1 3 . 1 1 100 100 ILE CA C 100 62.746 62.746 63.435 -0.689 18842 1845 1 3 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.783 -2.082 18842 1846 1 3 . 1 1 100 100 ILE H H 100 8.020 8.020 7.977 0.043 18842 1847 1 3 . 1 1 101 101 LYS N N 101 120.747 120.747 120.091 0.656 18842 1848 1 3 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.932 -0.248 18842 1849 1 3 . 1 1 101 101 LYS C C 101 177.127 177.127 179.057 -1.930 18842 1850 1 3 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.242 -0.082 18842 1851 1 3 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.336 0.661 18842 1852 1 3 . 1 1 101 101 LYS H H 101 8.907 8.907 8.290 0.617 18842 1853 1 3 . 1 1 102 102 MET N N 102 116.126 116.126 115.394 0.732 18842 1854 1 3 . 1 1 102 102 MET HA H 102 4.245 4.245 4.389 -0.144 18842 1855 1 3 . 1 1 102 102 MET C C 102 178.941 178.941 177.954 0.987 18842 1856 1 3 . 1 1 102 102 MET CA C 102 58.367 58.367 58.183 0.184 18842 1857 1 3 . 1 1 102 102 MET CB C 102 32.055 32.055 33.004 -0.949 18842 1858 1 3 . 1 1 102 102 MET H H 102 8.002 8.002 7.612 0.390 18842 1859 1 3 . 1 1 103 103 THR N N 103 117.988 117.988 116.420 1.568 18842 1860 1 3 . 1 1 103 103 THR HA H 103 3.861 3.861 4.204 -0.343 18842 1861 1 3 . 1 1 103 103 THR C C 103 176.493 176.493 176.312 0.181 18842 1862 1 3 . 1 1 103 103 THR CA C 103 66.168 66.168 66.033 0.135 18842 1863 1 3 . 1 1 103 103 THR CB C 103 67.923 67.923 69.213 -1.290 18842 1864 1 3 . 1 1 103 103 THR H H 103 7.694 7.694 7.502 0.192 18842 1865 1 3 . 1 1 104 104 LEU N N 104 119.248 119.248 121.632 -2.384 18842 1866 1 3 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.083 -0.203 18842 1867 1 3 . 1 1 104 104 LEU C C 104 178.072 178.072 178.314 -0.242 18842 1868 1 3 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.344 -0.298 18842 1869 1 3 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.614 1.280 18842 1870 1 3 . 1 1 104 104 LEU H H 104 8.530 8.530 8.797 -0.267 18842 1871 1 3 . 1 1 105 105 GLN N N 105 119.071 119.071 117.347 1.724 18842 1872 1 3 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.899 0.069 18842 1873 1 3 . 1 1 105 105 GLN C C 105 178.675 178.675 178.268 0.407 18842 1874 1 3 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.827 0.246 18842 1875 1 3 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.800 0.168 18842 1876 1 3 . 1 1 105 105 GLN H H 105 8.623 8.623 7.748 0.875 18842 1877 1 3 . 1 1 106 106 GLN N N 106 117.946 117.946 118.968 -1.022 18842 1878 1 3 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.104 -0.065 18842 1879 1 3 . 1 1 106 106 GLN C C 106 178.677 178.677 178.231 0.446 18842 1880 1 3 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.279 0.436 18842 1881 1 3 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.060 0.404 18842 1882 1 3 . 1 1 106 106 GLN H H 106 7.581 7.581 8.027 -0.446 18842 1883 1 3 . 1 1 107 107 ILE N N 107 120.013 120.013 118.746 1.267 18842 1884 1 3 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.765 -0.300 18842 1885 1 3 . 1 1 107 107 ILE C C 107 177.586 177.586 178.447 -0.861 18842 1886 1 3 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.216 1.266 18842 1887 1 3 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.410 0.729 18842 1888 1 3 . 1 1 107 107 ILE H H 107 7.801 7.801 7.958 -0.157 18842 1889 1 3 . 1 1 108 108 ILE N N 108 117.686 117.686 122.623 -4.937 18842 1890 1 3 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.764 0.020 18842 1891 1 3 . 1 1 108 108 ILE C C 108 179.171 179.171 178.355 0.816 18842 1892 1 3 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.662 -0.059 18842 1893 1 3 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.462 0.779 18842 1894 1 3 . 1 1 108 108 ILE H H 108 8.734 8.734 8.110 0.624 18842 1895 1 3 . 1 1 109 109 SER N N 109 114.198 114.198 114.955 -0.757 18842 1896 1 3 . 1 1 109 109 SER HA H 109 4.214 4.214 4.101 0.113 18842 1897 1 3 . 1 1 109 109 SER C C 109 176.381 176.381 176.727 -0.346 18842 1898 1 3 . 1 1 109 109 SER CA C 109 61.564 61.564 61.742 -0.178 18842 1899 1 3 . 1 1 109 109 SER CB C 109 62.831 62.831 62.674 0.157 18842 1900 1 3 . 1 1 109 109 SER H H 109 7.881 7.881 8.516 -0.635 18842 1901 1 3 . 1 1 110 110 ARG N N 110 121.010 121.010 120.700 0.310 18842 1902 1 3 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.917 0.220 18842 1903 1 3 . 1 1 110 110 ARG C C 110 178.636 178.636 178.102 0.534 18842 1904 1 3 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.546 -0.170 18842 1905 1 3 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.972 -0.122 18842 1906 1 3 . 1 1 110 110 ARG H H 110 7.550 7.550 7.241 0.309 18842 1907 1 3 . 1 1 111 111 TYR N N 111 117.243 117.243 114.787 2.456 18842 1908 1 3 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.665 0.130 18842 1909 1 3 . 1 1 111 111 TYR C C 111 176.218 176.218 175.973 0.245 18842 1910 1 3 . 1 1 111 111 TYR CA C 111 57.574 57.574 57.087 0.487 18842 1911 1 3 . 1 1 111 111 TYR CB C 111 37.492 37.492 36.760 0.732 18842 1912 1 3 . 1 1 111 111 TYR H H 111 7.496 7.496 7.753 -0.257 18842 1913 1 3 . 1 1 112 112 LYS N N 112 121.040 121.040 121.495 -0.455 18842 1914 1 3 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.421 -0.087 18842 1915 1 3 . 1 1 112 112 LYS C C 112 177.437 177.437 178.140 -0.703 18842 1916 1 3 . 1 1 112 112 LYS CA C 112 57.630 57.630 57.248 0.382 18842 1917 1 3 . 1 1 112 112 LYS CB C 112 32.590 32.590 33.834 -1.244 18842 1918 1 3 . 1 1 112 112 LYS H H 112 7.755 7.755 7.866 -0.111 18842 1919 1 3 . 1 1 113 113 ASP N N 113 120.593 120.593 120.245 0.348 18842 1920 1 3 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.462 0.175 18842 1921 1 3 . 1 1 113 113 ASP C C 113 176.587 176.587 177.627 -1.040 18842 1922 1 3 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.862 0.231 18842 1923 1 3 . 1 1 113 113 ASP H H 113 8.246 8.246 7.884 0.362 18842 1924 1 3 . 1 1 114 114 ALA N N 114 123.721 123.721 121.980 1.741 18842 1925 1 3 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.184 0.165 18842 1926 1 3 . 1 1 114 114 ALA C C 114 178.004 178.004 178.086 -0.082 18842 1927 1 3 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.352 -0.466 18842 1928 1 3 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.253 0.012 18842 1929 1 3 . 1 1 114 114 ALA H H 114 8.038 8.038 8.162 -0.124 18842 1930 1 4 . 1 1 2 2 SER N N 2 113.417 113.417 116.217 -2.800 18842 1931 1 4 . 1 1 2 2 SER HA H 2 4.355 4.355 4.214 0.141 18842 1932 1 4 . 1 1 2 2 SER CA C 2 58.647 58.647 61.141 -2.494 18842 1933 1 4 . 1 1 2 2 SER CB C 2 63.504 63.504 62.759 0.745 18842 1934 1 4 . 1 1 2 2 SER H H 2 8.096 8.096 8.584 -0.488 18842 1935 1 4 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.985 -0.308 18842 1936 1 4 . 1 1 3 3 HIS C C 3 173.601 173.601 173.489 0.112 18842 1937 1 4 . 1 1 3 3 HIS CA C 3 56.229 56.229 53.769 2.460 18842 1938 1 4 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.195 3.128 18842 1939 1 4 . 1 1 4 4 SER N N 4 113.555 113.555 114.104 -0.549 18842 1940 1 4 . 1 1 4 4 SER HA H 4 5.483 5.483 4.954 0.529 18842 1941 1 4 . 1 1 4 4 SER C C 4 173.624 173.624 172.401 1.223 18842 1942 1 4 . 1 1 4 4 SER CA C 4 56.904 56.904 58.522 -1.618 18842 1943 1 4 . 1 1 4 4 SER CB C 4 65.900 65.900 65.102 0.798 18842 1944 1 4 . 1 1 4 4 SER H H 4 7.865 7.865 7.371 0.494 18842 1945 1 4 . 1 1 5 5 GLY N N 5 107.050 107.050 106.894 0.156 18842 1946 1 4 . 1 1 5 5 GLY C C 5 170.915 170.915 171.797 -0.882 18842 1947 1 4 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.455 0.962 18842 1948 1 4 . 1 1 5 5 GLY H H 5 8.370 8.370 8.770 -0.400 18842 1949 1 4 . 1 1 6 6 ALA N N 6 125.347 125.347 122.680 2.667 18842 1950 1 4 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.730 0.223 18842 1951 1 4 . 1 1 6 6 ALA C C 6 176.816 176.816 176.454 0.362 18842 1952 1 4 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.303 0.302 18842 1953 1 4 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.043 0.331 18842 1954 1 4 . 1 1 6 6 ALA H H 6 8.671 8.671 8.401 0.270 18842 1955 1 4 . 1 1 7 7 ALA N N 7 120.077 120.077 125.432 -5.355 18842 1956 1 4 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.442 0.220 18842 1957 1 4 . 1 1 7 7 ALA C C 7 176.697 176.697 175.720 0.977 18842 1958 1 4 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.821 1.847 18842 1959 1 4 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.821 2.227 18842 1960 1 4 . 1 1 7 7 ALA H H 7 8.391 8.391 8.067 0.324 18842 1961 1 4 . 1 1 8 8 ILE N N 8 125.517 125.517 117.514 8.003 18842 1962 1 4 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.153 -0.166 18842 1963 1 4 . 1 1 8 8 ILE C C 8 175.327 175.327 174.507 0.820 18842 1964 1 4 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.163 -0.319 18842 1965 1 4 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.327 -1.738 18842 1966 1 4 . 1 1 8 8 ILE H H 8 9.383 9.383 7.954 1.429 18842 1967 1 4 . 1 1 9 9 PHE N N 9 128.853 128.853 125.923 2.930 18842 1968 1 4 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.553 -0.236 18842 1969 1 4 . 1 1 9 9 PHE C C 9 173.920 173.920 174.806 -0.886 18842 1970 1 4 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.778 0.340 18842 1971 1 4 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.318 -1.493 18842 1972 1 4 . 1 1 9 9 PHE H H 9 8.467 8.467 9.175 -0.708 18842 1973 1 4 . 1 1 10 10 GLU N N 10 126.396 126.396 125.648 0.748 18842 1974 1 4 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.959 -0.757 18842 1975 1 4 . 1 1 10 10 GLU C C 10 175.226 175.226 176.194 -0.968 18842 1976 1 4 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.465 -0.785 18842 1977 1 4 . 1 1 10 10 GLU CB C 10 26.695 26.695 26.858 -0.163 18842 1978 1 4 . 1 1 10 10 GLU H H 10 8.769 8.769 9.667 -0.898 18842 1979 1 4 . 1 1 11 11 LYS N N 11 105.585 105.585 111.330 -5.745 18842 1980 1 4 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.906 -0.504 18842 1981 1 4 . 1 1 11 11 LYS C C 11 175.596 175.596 175.077 0.519 18842 1982 1 4 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.890 0.558 18842 1983 1 4 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.560 -1.426 18842 1984 1 4 . 1 1 11 11 LYS H H 11 7.931 7.931 8.601 -0.670 18842 1985 1 4 . 1 1 12 12 VAL N N 12 123.819 123.819 121.595 2.224 18842 1986 1 4 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.393 0.024 18842 1987 1 4 . 1 1 12 12 VAL C C 12 175.188 175.188 174.639 0.549 18842 1988 1 4 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.592 1.093 18842 1989 1 4 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.088 0.091 18842 1990 1 4 . 1 1 12 12 VAL H H 12 7.954 7.954 7.314 0.640 18842 1991 1 4 . 1 1 13 13 SER N N 13 121.981 121.981 122.178 -0.197 18842 1992 1 4 . 1 1 13 13 SER HA H 13 4.624 4.624 4.784 -0.160 18842 1993 1 4 . 1 1 13 13 SER C C 13 175.408 175.408 174.184 1.224 18842 1994 1 4 . 1 1 13 13 SER CA C 13 59.766 59.766 58.305 1.461 18842 1995 1 4 . 1 1 13 13 SER CB C 13 63.591 63.591 64.565 -0.974 18842 1996 1 4 . 1 1 13 13 SER H H 13 8.895 8.895 8.741 0.154 18842 1997 1 4 . 1 1 14 14 GLY N N 14 113.215 113.215 108.946 4.269 18842 1998 1 4 . 1 1 14 14 GLY C C 14 172.790 172.790 172.172 0.618 18842 1999 1 4 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.473 1.064 18842 2000 1 4 . 1 1 14 14 GLY H H 14 8.287 8.287 9.196 -0.909 18842 2001 1 4 . 1 1 15 15 ILE N N 15 123.244 123.244 119.760 3.484 18842 2002 1 4 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.460 0.360 18842 2003 1 4 . 1 1 15 15 ILE C C 15 175.417 175.417 174.238 1.179 18842 2004 1 4 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.293 0.010 18842 2005 1 4 . 1 1 15 15 ILE CB C 15 41.796 41.796 39.897 1.899 18842 2006 1 4 . 1 1 15 15 ILE H H 15 8.330 8.330 8.057 0.273 18842 2007 1 4 . 1 1 16 16 ILE N N 16 127.640 127.640 128.907 -1.267 18842 2008 1 4 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.555 0.412 18842 2009 1 4 . 1 1 16 16 ILE C C 16 173.248 173.248 173.830 -0.582 18842 2010 1 4 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.081 -0.270 18842 2011 1 4 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.438 2.285 18842 2012 1 4 . 1 1 16 16 ILE H H 16 9.438 9.438 9.325 0.113 18842 2013 1 4 . 1 1 17 17 ALA N N 17 127.760 127.760 130.875 -3.115 18842 2014 1 4 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.938 0.167 18842 2015 1 4 . 1 1 17 17 ALA C C 17 177.510 177.510 175.816 1.694 18842 2016 1 4 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.300 1.145 18842 2017 1 4 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.578 -0.417 18842 2018 1 4 . 1 1 17 17 ALA H H 17 8.968 8.968 8.849 0.119 18842 2019 1 4 . 1 1 18 18 ILE N N 18 122.269 122.269 123.391 -1.122 18842 2020 1 4 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.389 0.202 18842 2021 1 4 . 1 1 18 18 ILE C C 18 174.334 174.334 176.028 -1.694 18842 2022 1 4 . 1 1 18 18 ILE CA C 18 60.656 60.656 61.212 -0.556 18842 2023 1 4 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.528 0.536 18842 2024 1 4 . 1 1 18 18 ILE H H 18 8.665 8.665 8.643 0.022 18842 2025 1 4 . 1 1 19 19 ASN N N 19 127.568 127.568 126.939 0.629 18842 2026 1 4 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.857 0.223 18842 2027 1 4 . 1 1 19 19 ASN C C 19 174.784 174.784 175.168 -0.384 18842 2028 1 4 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.008 -1.370 18842 2029 1 4 . 1 1 19 19 ASN CB C 19 39.591 39.591 39.044 0.547 18842 2030 1 4 . 1 1 19 19 ASN H H 19 9.378 9.378 9.131 0.247 18842 2031 1 4 . 1 1 20 20 GLU N N 20 121.587 121.587 124.008 -2.421 18842 2032 1 4 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.408 0.295 18842 2033 1 4 . 1 1 20 20 GLU C C 20 176.152 176.152 175.621 0.531 18842 2034 1 4 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.028 -1.137 18842 2035 1 4 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.740 1.127 18842 2036 1 4 . 1 1 20 20 GLU H H 20 9.046 9.046 8.036 1.010 18842 2037 1 4 . 1 1 21 21 ASP N N 21 121.077 121.077 117.766 3.311 18842 2038 1 4 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.811 -0.192 18842 2039 1 4 . 1 1 21 21 ASP C C 21 175.688 175.688 176.326 -0.638 18842 2040 1 4 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.771 0.741 18842 2041 1 4 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.837 -1.361 18842 2042 1 4 . 1 1 21 21 ASP H H 21 8.724 8.724 8.192 0.532 18842 2043 1 4 . 1 1 22 22 VAL N N 22 113.035 113.035 117.026 -3.991 18842 2044 1 4 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.479 -0.161 18842 2045 1 4 . 1 1 22 22 VAL C C 22 173.445 173.445 175.732 -2.287 18842 2046 1 4 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.468 -0.419 18842 2047 1 4 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.660 1.362 18842 2048 1 4 . 1 1 22 22 VAL H H 22 6.844 6.844 7.314 -0.470 18842 2049 1 4 . 1 1 23 23 SER N N 23 114.945 114.945 115.015 -0.070 18842 2050 1 4 . 1 1 23 23 SER HA H 23 4.735 4.735 4.481 0.254 18842 2051 1 4 . 1 1 23 23 SER CA C 23 53.765 53.765 60.845 -7.080 18842 2052 1 4 . 1 1 23 23 SER CB C 23 64.743 64.743 62.530 2.213 18842 2053 1 4 . 1 1 23 23 SER H H 23 8.046 8.046 8.534 -0.488 18842 2054 1 4 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.608 0.160 18842 2055 1 4 . 1 1 24 24 PRO C C 24 174.807 174.807 175.788 -0.981 18842 2056 1 4 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.816 0.943 18842 2057 1 4 . 1 1 24 24 PRO CB C 24 34.741 34.741 32.077 2.664 18842 2058 1 4 . 1 1 25 25 ALA N N 25 120.415 120.415 128.862 -8.447 18842 2059 1 4 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.393 0.122 18842 2060 1 4 . 1 1 25 25 ALA C C 25 175.790 175.790 177.103 -1.313 18842 2061 1 4 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.825 -0.292 18842 2062 1 4 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.291 1.292 18842 2063 1 4 . 1 1 25 25 ALA H H 25 7.979 7.979 8.534 -0.555 18842 2064 1 4 . 1 1 26 26 GLU N N 26 115.395 115.395 122.855 -7.460 18842 2065 1 4 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.090 -0.051 18842 2066 1 4 . 1 1 26 26 GLU C C 26 174.619 174.619 175.274 -0.655 18842 2067 1 4 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.229 -0.200 18842 2068 1 4 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.491 1.125 18842 2069 1 4 . 1 1 26 26 GLU H H 26 7.851 7.851 8.175 -0.324 18842 2070 1 4 . 1 1 27 27 LEU N N 27 124.661 124.661 122.548 2.113 18842 2071 1 4 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.885 0.141 18842 2072 1 4 . 1 1 27 27 LEU C C 27 174.740 174.740 174.899 -0.159 18842 2073 1 4 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.349 -0.568 18842 2074 1 4 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.839 0.770 18842 2075 1 4 . 1 1 27 27 LEU H H 27 8.898 8.898 9.445 -0.547 18842 2076 1 4 . 1 1 28 28 THR N N 28 121.731 121.731 124.962 -3.231 18842 2077 1 4 . 1 1 28 28 THR HA H 28 5.207 5.207 5.273 -0.066 18842 2078 1 4 . 1 1 28 28 THR C C 28 172.661 172.661 173.686 -1.025 18842 2079 1 4 . 1 1 28 28 THR CA C 28 61.178 61.178 62.596 -1.417 18842 2080 1 4 . 1 1 28 28 THR CB C 28 71.422 71.422 69.462 1.960 18842 2081 1 4 . 1 1 28 28 THR H H 28 9.283 9.283 9.306 -0.023 18842 2082 1 4 . 1 1 29 29 TRP N N 29 128.950 128.950 131.668 -2.718 18842 2083 1 4 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.344 0.087 18842 2084 1 4 . 1 1 29 29 TRP C C 29 173.939 173.939 174.678 -0.739 18842 2085 1 4 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.909 -0.127 18842 2086 1 4 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.962 1.215 18842 2087 1 4 . 1 1 29 29 TRP H H 29 9.399 9.399 9.636 -0.237 18842 2088 1 4 . 1 1 30 30 ARG N N 30 126.402 126.402 129.590 -3.188 18842 2089 1 4 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.420 0.409 18842 2090 1 4 . 1 1 30 30 ARG C C 30 174.751 174.751 176.045 -1.294 18842 2091 1 4 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.179 -0.790 18842 2092 1 4 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.848 1.970 18842 2093 1 4 . 1 1 30 30 ARG H H 30 7.613 7.613 9.237 -1.624 18842 2094 1 4 . 1 1 31 31 SER N N 31 118.353 118.353 121.468 -3.115 18842 2095 1 4 . 1 1 31 31 SER HA H 31 4.138 4.138 3.770 0.368 18842 2096 1 4 . 1 1 31 31 SER C C 31 176.426 176.426 175.384 1.042 18842 2097 1 4 . 1 1 31 31 SER CA C 31 58.013 58.013 60.036 -2.023 18842 2098 1 4 . 1 1 31 31 SER CB C 31 64.081 64.081 63.265 0.816 18842 2099 1 4 . 1 1 31 31 SER H H 31 8.086 8.086 8.028 0.058 18842 2100 1 4 . 1 1 32 32 THR N N 32 119.213 119.213 115.456 3.757 18842 2101 1 4 . 1 1 32 32 THR HA H 32 3.856 3.856 4.174 -0.318 18842 2102 1 4 . 1 1 32 32 THR C C 32 175.664 175.664 175.524 0.140 18842 2103 1 4 . 1 1 32 32 THR CA C 32 66.142 66.142 65.449 0.693 18842 2104 1 4 . 1 1 32 32 THR CB C 32 68.446 68.446 69.060 -0.614 18842 2105 1 4 . 1 1 32 32 THR H H 32 8.556 8.556 8.328 0.228 18842 2106 1 4 . 1 1 33 33 ASP N N 33 117.260 117.260 120.568 -3.308 18842 2107 1 4 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.636 -0.009 18842 2108 1 4 . 1 1 33 33 ASP C C 33 177.098 177.098 176.782 0.316 18842 2109 1 4 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.690 -0.323 18842 2110 1 4 . 1 1 33 33 ASP H H 33 8.236 8.236 8.316 -0.080 18842 2111 1 4 . 1 1 34 34 GLY N N 34 109.136 109.136 105.295 3.841 18842 2112 1 4 . 1 1 34 34 GLY C C 34 173.778 173.778 174.412 -0.634 18842 2113 1 4 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.281 0.118 18842 2114 1 4 . 1 1 34 34 GLY H H 34 7.935 7.935 8.305 -0.370 18842 2115 1 4 . 1 1 35 35 ASP N N 35 117.913 117.913 118.899 -0.986 18842 2116 1 4 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.408 0.122 18842 2117 1 4 . 1 1 35 35 ASP C C 35 175.403 175.403 175.433 -0.030 18842 2118 1 4 . 1 1 35 35 ASP CA C 35 54.811 54.811 55.618 -0.807 18842 2119 1 4 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.181 -0.139 18842 2120 1 4 . 1 1 35 35 ASP H H 35 8.271 8.271 8.459 -0.188 18842 2121 1 4 . 1 1 36 36 LYS N N 36 120.335 120.335 117.312 3.023 18842 2122 1 4 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.611 0.296 18842 2123 1 4 . 1 1 36 36 LYS C C 36 174.651 174.651 174.022 0.629 18842 2124 1 4 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.115 0.292 18842 2125 1 4 . 1 1 36 36 LYS CB C 36 35.834 35.834 36.576 -0.742 18842 2126 1 4 . 1 1 36 36 LYS H H 36 7.769 7.769 7.609 0.160 18842 2127 1 4 . 1 1 37 37 VAL N N 37 121.484 121.484 121.667 -0.183 18842 2128 1 4 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.102 0.213 18842 2129 1 4 . 1 1 37 37 VAL C C 37 175.069 175.069 174.851 0.218 18842 2130 1 4 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.697 0.401 18842 2131 1 4 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.111 0.947 18842 2132 1 4 . 1 1 37 37 VAL H H 37 8.582 8.582 8.512 0.070 18842 2133 1 4 . 1 1 38 38 HIS N N 38 125.660 125.660 126.009 -0.349 18842 2134 1 4 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.995 0.089 18842 2135 1 4 . 1 1 38 38 HIS C C 38 173.268 173.268 173.317 -0.049 18842 2136 1 4 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.720 0.348 18842 2137 1 4 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.667 -0.579 18842 2138 1 4 . 1 1 38 38 HIS H H 38 9.621 9.621 9.038 0.583 18842 2139 1 4 . 1 1 39 39 THR N N 39 124.752 124.752 121.752 3.000 18842 2140 1 4 . 1 1 39 39 THR HA H 39 5.139 5.139 5.201 -0.062 18842 2141 1 4 . 1 1 39 39 THR C C 39 173.208 173.208 173.150 0.058 18842 2142 1 4 . 1 1 39 39 THR CA C 39 61.518 61.518 61.654 -0.136 18842 2143 1 4 . 1 1 39 39 THR CB C 39 70.665 70.665 70.215 0.450 18842 2144 1 4 . 1 1 39 39 THR H H 39 8.527 8.527 8.135 0.392 18842 2145 1 4 . 1 1 40 40 VAL N N 40 126.002 126.002 127.569 -1.567 18842 2146 1 4 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.383 -0.459 18842 2147 1 4 . 1 1 40 40 VAL C C 40 174.731 174.731 174.676 0.055 18842 2148 1 4 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.450 -0.100 18842 2149 1 4 . 1 1 40 40 VAL CB C 40 34.365 34.365 34.579 -0.214 18842 2150 1 4 . 1 1 40 40 VAL H H 40 9.388 9.388 9.424 -0.036 18842 2151 1 4 . 1 1 41 41 VAL N N 41 129.872 129.872 128.076 1.796 18842 2152 1 4 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.245 -0.261 18842 2153 1 4 . 1 1 41 41 VAL C C 41 179.410 179.410 176.778 2.632 18842 2154 1 4 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.598 2.018 18842 2155 1 4 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.800 -0.812 18842 2156 1 4 . 1 1 41 41 VAL H H 41 9.054 9.054 8.768 0.286 18842 2157 1 4 . 1 1 42 42 LEU N N 42 130.076 130.076 128.810 1.266 18842 2158 1 4 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.226 -0.272 18842 2159 1 4 . 1 1 42 42 LEU C C 42 176.121 176.121 178.081 -1.960 18842 2160 1 4 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.853 1.769 18842 2161 1 4 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.500 0.323 18842 2162 1 4 . 1 1 42 42 LEU H H 42 9.193 9.193 8.270 0.923 18842 2163 1 4 . 1 1 43 43 SER N N 43 109.703 109.703 111.372 -1.669 18842 2164 1 4 . 1 1 43 43 SER HA H 43 3.944 3.944 2.292 1.652 18842 2165 1 4 . 1 1 43 43 SER C C 43 175.455 175.455 175.020 0.435 18842 2166 1 4 . 1 1 43 43 SER CA C 43 59.442 59.442 59.825 -0.383 18842 2167 1 4 . 1 1 43 43 SER CB C 43 61.299 61.299 62.618 -1.319 18842 2168 1 4 . 1 1 43 43 SER H H 43 6.961 6.961 8.185 -1.224 18842 2169 1 4 . 1 1 44 44 THR N N 44 110.409 110.409 111.767 -1.358 18842 2170 1 4 . 1 1 44 44 THR HA H 44 4.519 4.519 4.247 0.272 18842 2171 1 4 . 1 1 44 44 THR C C 44 173.493 173.493 175.909 -2.416 18842 2172 1 4 . 1 1 44 44 THR CA C 44 62.076 62.076 62.184 -0.107 18842 2173 1 4 . 1 1 44 44 THR CB C 44 69.788 69.788 69.815 -0.027 18842 2174 1 4 . 1 1 44 44 THR H H 44 7.657 7.657 7.543 0.114 18842 2175 1 4 . 1 1 45 45 ILE N N 45 120.972 120.972 124.806 -3.834 18842 2176 1 4 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.061 0.264 18842 2177 1 4 . 1 1 45 45 ILE C C 45 173.882 173.882 175.726 -1.844 18842 2178 1 4 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.444 -3.404 18842 2179 1 4 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.355 1.145 18842 2180 1 4 . 1 1 45 45 ILE H H 45 7.089 7.089 7.751 -0.662 18842 2181 1 4 . 1 1 46 46 ASP N N 46 126.759 126.759 127.308 -0.549 18842 2182 1 4 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.459 0.203 18842 2183 1 4 . 1 1 46 46 ASP C C 46 175.424 175.424 175.842 -0.418 18842 2184 1 4 . 1 1 46 46 ASP CA C 46 55.017 55.017 55.680 -0.663 18842 2185 1 4 . 1 1 46 46 ASP CB C 46 44.583 44.583 42.133 2.450 18842 2186 1 4 . 1 1 46 46 ASP H H 46 9.372 9.372 8.864 0.508 18842 2187 1 4 . 1 1 47 47 LYS N N 47 111.663 111.663 116.279 -4.616 18842 2188 1 4 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.651 0.102 18842 2189 1 4 . 1 1 47 47 LYS C C 47 172.574 172.574 174.193 -1.619 18842 2190 1 4 . 1 1 47 47 LYS CA C 47 54.615 54.615 54.988 -0.373 18842 2191 1 4 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.878 0.318 18842 2192 1 4 . 1 1 47 47 LYS H H 47 7.522 7.522 7.414 0.108 18842 2193 1 4 . 1 1 48 48 LEU N N 48 123.295 123.295 122.182 1.113 18842 2194 1 4 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.823 0.320 18842 2195 1 4 . 1 1 48 48 LEU C C 48 174.770 174.770 176.252 -1.482 18842 2196 1 4 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.993 -1.057 18842 2197 1 4 . 1 1 48 48 LEU CB C 48 45.580 45.580 45.041 0.539 18842 2198 1 4 . 1 1 48 48 LEU H H 48 8.938 8.938 8.355 0.583 18842 2199 1 4 . 1 1 49 49 GLN N N 49 120.979 120.979 121.467 -0.488 18842 2200 1 4 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.642 0.870 18842 2201 1 4 . 1 1 49 49 GLN C C 49 174.626 174.626 173.815 0.811 18842 2202 1 4 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.164 -1.533 18842 2203 1 4 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.110 0.979 18842 2204 1 4 . 1 1 49 49 GLN H H 49 9.246 9.246 8.667 0.579 18842 2205 1 4 . 1 1 50 50 ALA N N 50 122.440 122.440 125.997 -3.557 18842 2206 1 4 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.753 1.055 18842 2207 1 4 . 1 1 50 50 ALA C C 50 177.277 177.277 176.179 1.098 18842 2208 1 4 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.613 -0.992 18842 2209 1 4 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.294 3.229 18842 2210 1 4 . 1 1 50 50 ALA H H 50 9.365 9.365 8.339 1.026 18842 2211 1 4 . 1 1 51 51 THR N N 51 114.289 114.289 117.162 -2.873 18842 2212 1 4 . 1 1 51 51 THR HA H 51 4.615 4.615 4.418 0.197 18842 2213 1 4 . 1 1 51 51 THR CA C 51 59.197 59.197 60.675 -1.478 18842 2214 1 4 . 1 1 51 51 THR CB C 51 67.937 67.937 68.787 -0.850 18842 2215 1 4 . 1 1 51 51 THR H H 51 8.368 8.368 7.977 0.391 18842 2216 1 4 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.519 0.012 18842 2217 1 4 . 1 1 52 52 PRO C C 52 178.380 178.380 177.076 1.304 18842 2218 1 4 . 1 1 52 52 PRO CA C 52 62.375 62.375 61.837 0.539 18842 2219 1 4 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.117 0.523 18842 2220 1 4 . 1 1 53 53 ALA N N 53 126.235 126.235 122.350 3.885 18842 2221 1 4 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.205 -0.175 18842 2222 1 4 . 1 1 53 53 ALA C C 53 177.700 177.700 178.086 -0.386 18842 2223 1 4 . 1 1 53 53 ALA CA C 53 54.795 54.795 53.875 0.920 18842 2224 1 4 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.758 -0.739 18842 2225 1 4 . 1 1 53 53 ALA H H 53 9.122 9.122 8.382 0.740 18842 2226 1 4 . 1 1 54 54 SER N N 54 107.216 107.216 111.887 -4.671 18842 2227 1 4 . 1 1 54 54 SER HA H 54 4.238 4.238 4.424 -0.186 18842 2228 1 4 . 1 1 54 54 SER C C 54 174.957 174.957 174.398 0.559 18842 2229 1 4 . 1 1 54 54 SER CA C 54 58.260 58.260 58.561 -0.301 18842 2230 1 4 . 1 1 54 54 SER CB C 54 63.120 63.120 63.586 -0.466 18842 2231 1 4 . 1 1 54 54 SER H H 54 7.620 7.620 7.962 -0.342 18842 2232 1 4 . 1 1 55 55 SER N N 55 117.523 117.523 116.481 1.042 18842 2233 1 4 . 1 1 55 55 SER HA H 55 4.469 4.469 4.466 0.003 18842 2234 1 4 . 1 1 55 55 SER C C 55 174.952 174.952 174.639 0.313 18842 2235 1 4 . 1 1 55 55 SER CA C 55 57.500 57.500 57.353 0.147 18842 2236 1 4 . 1 1 55 55 SER CB C 55 63.801 63.801 63.802 -0.001 18842 2237 1 4 . 1 1 55 55 SER H H 55 7.676 7.676 7.572 0.104 18842 2238 1 4 . 1 1 56 56 GLU N N 56 124.557 124.557 126.383 -1.826 18842 2239 1 4 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.112 0.067 18842 2240 1 4 . 1 1 56 56 GLU C C 56 177.924 177.924 176.624 1.300 18842 2241 1 4 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.281 -0.620 18842 2242 1 4 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.930 -0.102 18842 2243 1 4 . 1 1 56 56 GLU H H 56 8.844 8.844 8.823 0.021 18842 2244 1 4 . 1 1 57 57 LYS N N 57 119.220 119.220 119.528 -0.308 18842 2245 1 4 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.359 -0.063 18842 2246 1 4 . 1 1 57 57 LYS C C 57 175.667 175.667 175.740 -0.073 18842 2247 1 4 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.023 0.832 18842 2248 1 4 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.011 1.844 18842 2249 1 4 . 1 1 57 57 LYS H H 57 8.259 8.259 7.431 0.828 18842 2250 1 4 . 1 1 58 58 MET N N 58 123.270 123.270 125.377 -2.107 18842 2251 1 4 . 1 1 58 58 MET HA H 58 4.288 4.288 4.638 -0.350 18842 2252 1 4 . 1 1 58 58 MET C C 58 174.107 174.107 175.381 -1.274 18842 2253 1 4 . 1 1 58 58 MET CA C 58 55.067 55.067 54.727 0.340 18842 2254 1 4 . 1 1 58 58 MET CB C 58 35.381 35.381 32.362 3.019 18842 2255 1 4 . 1 1 58 58 MET H H 58 8.811 8.811 8.771 0.040 18842 2256 1 4 . 1 1 59 59 MET N N 59 120.490 120.490 121.979 -1.489 18842 2257 1 4 . 1 1 59 59 MET HA H 59 5.873 5.873 4.977 0.896 18842 2258 1 4 . 1 1 59 59 MET C C 59 174.459 174.459 173.881 0.578 18842 2259 1 4 . 1 1 59 59 MET CA C 59 54.903 54.903 55.182 -0.279 18842 2260 1 4 . 1 1 59 59 MET CB C 59 39.231 39.231 37.112 2.119 18842 2261 1 4 . 1 1 59 59 MET H H 59 8.395 8.395 8.333 0.062 18842 2262 1 4 . 1 1 60 60 LEU N N 60 118.105 118.105 121.559 -3.454 18842 2263 1 4 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.730 0.934 18842 2264 1 4 . 1 1 60 60 LEU C C 60 175.664 175.664 175.245 0.419 18842 2265 1 4 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.704 -0.576 18842 2266 1 4 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.464 1.971 18842 2267 1 4 . 1 1 60 60 LEU H H 60 9.103 9.103 8.691 0.412 18842 2268 1 4 . 1 1 61 61 ARG N N 61 120.757 120.757 117.182 3.575 18842 2269 1 4 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.577 -0.119 18842 2270 1 4 . 1 1 61 61 ARG C C 61 173.515 173.515 174.396 -0.881 18842 2271 1 4 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.690 0.034 18842 2272 1 4 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.479 0.653 18842 2273 1 4 . 1 1 61 61 ARG H H 61 9.287 9.287 8.695 0.592 18842 2274 1 4 . 1 1 62 62 LEU N N 62 127.139 127.139 122.670 4.469 18842 2275 1 4 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.840 0.189 18842 2276 1 4 . 1 1 62 62 LEU C C 62 175.440 175.440 175.145 0.295 18842 2277 1 4 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.537 0.863 18842 2278 1 4 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.236 -2.133 18842 2279 1 4 . 1 1 62 62 LEU H H 62 9.307 9.307 8.274 1.033 18842 2280 1 4 . 1 1 63 63 ILE N N 63 123.292 123.292 125.594 -2.302 18842 2281 1 4 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.231 0.357 18842 2282 1 4 . 1 1 63 63 ILE C C 63 176.319 176.319 175.407 0.912 18842 2283 1 4 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.965 0.422 18842 2284 1 4 . 1 1 63 63 ILE CB C 63 38.121 38.121 37.388 0.733 18842 2285 1 4 . 1 1 63 63 ILE H H 63 8.891 8.891 9.116 -0.225 18842 2286 1 4 . 1 1 64 64 GLY N N 64 115.565 115.565 115.249 0.316 18842 2287 1 4 . 1 1 64 64 GLY C C 64 172.551 172.551 173.139 -0.588 18842 2288 1 4 . 1 1 64 64 GLY CA C 64 45.429 45.429 44.039 1.390 18842 2289 1 4 . 1 1 64 64 GLY H H 64 9.356 9.356 8.411 0.945 18842 2290 1 4 . 1 1 65 65 LYS N N 65 119.442 119.442 121.398 -1.956 18842 2291 1 4 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.167 0.128 18842 2292 1 4 . 1 1 65 65 LYS C C 65 176.205 176.205 176.808 -0.603 18842 2293 1 4 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.131 -0.543 18842 2294 1 4 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.802 1.551 18842 2295 1 4 . 1 1 65 65 LYS H H 65 8.361 8.361 8.431 -0.070 18842 2296 1 4 . 1 1 66 66 VAL N N 66 122.131 122.131 125.973 -3.842 18842 2297 1 4 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.258 -0.172 18842 2298 1 4 . 1 1 66 66 VAL C C 66 175.265 175.265 174.549 0.716 18842 2299 1 4 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.813 0.250 18842 2300 1 4 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.519 -0.255 18842 2301 1 4 . 1 1 66 66 VAL H H 66 8.637 8.637 8.616 0.021 18842 2302 1 4 . 1 1 67 67 ASP N N 67 125.510 125.510 119.080 6.430 18842 2303 1 4 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.866 -0.139 18842 2304 1 4 . 1 1 67 67 ASP C C 67 176.708 176.708 174.672 2.036 18842 2305 1 4 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.182 -1.042 18842 2306 1 4 . 1 1 67 67 ASP CB C 67 40.930 40.930 43.456 -2.526 18842 2307 1 4 . 1 1 67 67 ASP H H 67 8.460 8.460 8.399 0.061 18842 2308 1 4 . 1 1 68 68 GLU N N 68 124.449 124.449 121.958 2.491 18842 2309 1 4 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.556 -0.468 18842 2310 1 4 . 1 1 68 68 GLU C C 68 177.451 177.451 175.720 1.731 18842 2311 1 4 . 1 1 68 68 GLU CA C 68 57.855 57.855 55.792 2.063 18842 2312 1 4 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.282 -0.605 18842 2313 1 4 . 1 1 68 68 GLU H H 68 8.752 8.752 8.616 0.136 18842 2314 1 4 . 1 1 69 69 SER N N 69 115.515 115.515 114.920 0.595 18842 2315 1 4 . 1 1 69 69 SER HA H 69 4.329 4.329 4.595 -0.266 18842 2316 1 4 . 1 1 69 69 SER C C 69 175.277 175.277 173.783 1.494 18842 2317 1 4 . 1 1 69 69 SER CA C 69 60.139 60.139 58.389 1.750 18842 2318 1 4 . 1 1 69 69 SER CB C 69 63.223 63.223 63.652 -0.429 18842 2319 1 4 . 1 1 69 69 SER H H 69 8.497 8.497 7.969 0.528 18842 2320 1 4 . 1 1 70 70 LYS N N 70 121.733 121.733 121.151 0.582 18842 2321 1 4 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.475 -0.065 18842 2322 1 4 . 1 1 70 70 LYS C C 70 177.124 177.124 175.709 1.415 18842 2323 1 4 . 1 1 70 70 LYS CA C 70 55.324 55.324 55.927 -0.603 18842 2324 1 4 . 1 1 70 70 LYS H H 70 7.689 7.689 8.116 -0.427 18842 2325 1 4 . 1 1 71 71 LYS N N 71 121.012 121.012 119.076 1.936 18842 2326 1 4 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.940 0.467 18842 2327 1 4 . 1 1 71 71 LYS C C 71 176.175 176.175 176.053 0.122 18842 2328 1 4 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.289 -0.677 18842 2329 1 4 . 1 1 71 71 LYS H H 71 7.750 7.750 8.363 -0.613 18842 2330 1 4 . 1 1 72 72 ARG N N 72 122.064 122.064 120.791 1.273 18842 2331 1 4 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.705 -0.104 18842 2332 1 4 . 1 1 72 72 ARG C C 72 175.228 175.228 174.270 0.958 18842 2333 1 4 . 1 1 72 72 ARG CA C 72 54.929 54.929 53.591 1.338 18842 2334 1 4 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.809 -0.484 18842 2335 1 4 . 1 1 72 72 ARG H H 72 8.420 8.420 8.231 0.189 18842 2336 1 4 . 1 1 73 73 LYS N N 73 121.217 121.217 118.660 2.557 18842 2337 1 4 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.705 0.228 18842 2338 1 4 . 1 1 73 73 LYS C C 73 177.010 177.010 176.649 0.361 18842 2339 1 4 . 1 1 73 73 LYS CA C 73 55.205 55.205 54.930 0.275 18842 2340 1 4 . 1 1 73 73 LYS CB C 73 34.680 34.680 34.333 0.347 18842 2341 1 4 . 1 1 73 73 LYS H H 73 8.401 8.401 8.469 -0.068 18842 2342 1 4 . 1 1 74 74 ASP N N 74 122.025 122.025 120.740 1.285 18842 2343 1 4 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.777 -0.067 18842 2344 1 4 . 1 1 74 74 ASP C C 74 177.475 177.475 175.580 1.895 18842 2345 1 4 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.250 -0.494 18842 2346 1 4 . 1 1 74 74 ASP CB C 74 41.022 41.022 40.938 0.084 18842 2347 1 4 . 1 1 74 74 ASP H H 74 8.582 8.582 8.538 0.044 18842 2348 1 4 . 1 1 75 75 ASN N N 75 116.228 116.228 115.992 0.236 18842 2349 1 4 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.459 0.077 18842 2350 1 4 . 1 1 75 75 ASN C C 75 175.999 175.999 175.197 0.802 18842 2351 1 4 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.628 0.225 18842 2352 1 4 . 1 1 75 75 ASN CB C 75 38.132 38.132 36.412 1.720 18842 2353 1 4 . 1 1 75 75 ASN H H 75 8.433 8.433 8.823 -0.390 18842 2354 1 4 . 1 1 76 76 GLU N N 76 118.958 118.958 118.631 0.327 18842 2355 1 4 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.529 -0.148 18842 2356 1 4 . 1 1 76 76 GLU C C 76 176.556 176.556 177.017 -0.461 18842 2357 1 4 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.407 -0.244 18842 2358 1 4 . 1 1 76 76 GLU H H 76 8.162 8.162 8.347 -0.185 18842 2359 1 4 . 1 1 77 77 GLY N N 77 108.062 108.062 107.726 0.336 18842 2360 1 4 . 1 1 77 77 GLY C C 77 174.247 174.247 173.051 1.196 18842 2361 1 4 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.669 0.541 18842 2362 1 4 . 1 1 77 77 GLY H H 77 8.106 8.106 8.016 0.090 18842 2363 1 4 . 1 1 78 78 ASN N N 78 119.929 119.929 118.413 1.516 18842 2364 1 4 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.901 -0.155 18842 2365 1 4 . 1 1 78 78 ASN C C 78 175.035 175.035 174.185 0.850 18842 2366 1 4 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.324 0.471 18842 2367 1 4 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.328 -1.383 18842 2368 1 4 . 1 1 78 78 ASN H H 78 8.569 8.569 8.050 0.519 18842 2369 1 4 . 1 1 79 79 GLU N N 79 121.658 121.658 124.653 -2.995 18842 2370 1 4 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.284 0.197 18842 2371 1 4 . 1 1 79 79 GLU C C 79 176.302 176.302 176.287 0.015 18842 2372 1 4 . 1 1 79 79 GLU CA C 79 56.662 56.662 58.089 -1.427 18842 2373 1 4 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.423 1.220 18842 2374 1 4 . 1 1 79 79 GLU H H 79 8.691 8.691 8.751 -0.060 18842 2375 1 4 . 1 1 80 80 VAL N N 80 123.997 123.997 118.119 5.878 18842 2376 1 4 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.653 -0.398 18842 2377 1 4 . 1 1 80 80 VAL C C 80 175.544 175.544 173.920 1.624 18842 2378 1 4 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.098 1.195 18842 2379 1 4 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.018 -1.475 18842 2380 1 4 . 1 1 80 80 VAL H H 80 8.581 8.581 8.973 -0.392 18842 2381 1 4 . 1 1 81 81 VAL N N 81 126.545 126.545 118.917 7.628 18842 2382 1 4 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.559 -0.133 18842 2383 1 4 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.965 0.586 18842 2384 1 4 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.405 0.489 18842 2385 1 4 . 1 1 81 81 VAL H H 81 8.407 8.407 8.315 0.092 18842 2386 1 4 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.336 0.096 18842 2387 1 4 . 1 1 82 82 PRO C C 82 176.036 176.036 176.212 -0.176 18842 2388 1 4 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.853 -0.288 18842 2389 1 4 . 1 1 83 83 LYS N N 83 121.727 121.727 122.483 -0.756 18842 2390 1 4 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.247 0.304 18842 2391 1 4 . 1 1 83 83 LYS CA C 83 53.779 53.779 54.700 -0.921 18842 2392 1 4 . 1 1 83 83 LYS H H 83 8.316 8.316 8.276 0.040 18842 2393 1 4 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.471 -0.178 18842 2394 1 4 . 1 1 84 84 PRO C C 84 176.883 176.883 176.416 0.467 18842 2395 1 4 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.498 -0.022 18842 2396 1 4 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.478 -0.037 18842 2397 1 4 . 1 1 85 85 GLN N N 85 121.423 121.423 120.266 1.157 18842 2398 1 4 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.085 0.060 18842 2399 1 4 . 1 1 85 85 GLN C C 85 175.026 175.026 174.930 0.096 18842 2400 1 4 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.303 -0.262 18842 2401 1 4 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.701 1.108 18842 2402 1 4 . 1 1 85 85 GLN H H 85 8.471 8.471 8.465 0.006 18842 2403 1 4 . 1 1 86 86 ARG N N 86 120.972 120.972 126.736 -5.764 18842 2404 1 4 . 1 1 86 86 ARG HA H 86 5.187 5.187 5.226 -0.039 18842 2405 1 4 . 1 1 86 86 ARG C C 86 175.091 175.091 175.298 -0.207 18842 2406 1 4 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.085 0.307 18842 2407 1 4 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.559 -0.131 18842 2408 1 4 . 1 1 86 86 ARG H H 86 8.265 8.265 8.340 -0.075 18842 2409 1 4 . 1 1 87 87 HIS N N 87 120.390 120.390 123.656 -3.266 18842 2410 1 4 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.768 -0.023 18842 2411 1 4 . 1 1 87 87 HIS C C 87 173.730 173.730 173.283 0.447 18842 2412 1 4 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.261 -0.054 18842 2413 1 4 . 1 1 87 87 HIS CB C 87 33.597 33.597 31.178 2.419 18842 2414 1 4 . 1 1 87 87 HIS H H 87 8.590 8.590 8.104 0.486 18842 2415 1 4 . 1 1 88 88 MET N N 88 126.611 126.611 124.784 1.827 18842 2416 1 4 . 1 1 88 88 MET HA H 88 5.320 5.320 4.358 0.962 18842 2417 1 4 . 1 1 88 88 MET C C 88 173.520 173.520 173.728 -0.208 18842 2418 1 4 . 1 1 88 88 MET CA C 88 54.782 54.782 54.987 -0.205 18842 2419 1 4 . 1 1 88 88 MET CB C 88 35.451 35.451 32.874 2.577 18842 2420 1 4 . 1 1 88 88 MET H H 88 8.716 8.716 8.678 0.038 18842 2421 1 4 . 1 1 89 89 PHE N N 89 122.328 122.328 126.133 -3.805 18842 2422 1 4 . 1 1 89 89 PHE HA H 89 5.210 5.210 4.925 0.285 18842 2423 1 4 . 1 1 89 89 PHE C C 89 174.448 174.448 175.704 -1.256 18842 2424 1 4 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.634 0.818 18842 2425 1 4 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.613 2.475 18842 2426 1 4 . 1 1 89 89 PHE H H 89 8.989 8.989 9.038 -0.049 18842 2427 1 4 . 1 1 90 90 SER N N 90 116.094 116.094 118.571 -2.477 18842 2428 1 4 . 1 1 90 90 SER HA H 90 5.681 5.681 4.895 0.786 18842 2429 1 4 . 1 1 90 90 SER C C 90 173.094 173.094 173.741 -0.647 18842 2430 1 4 . 1 1 90 90 SER CA C 90 56.645 56.645 57.420 -0.775 18842 2431 1 4 . 1 1 90 90 SER CB C 90 64.824 64.824 64.054 0.770 18842 2432 1 4 . 1 1 90 90 SER H H 90 8.680 8.680 8.790 -0.110 18842 2433 1 4 . 1 1 91 91 PHE N N 91 120.812 120.812 123.660 -2.848 18842 2434 1 4 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.604 0.290 18842 2435 1 4 . 1 1 91 91 PHE C C 91 174.500 174.500 175.621 -1.121 18842 2436 1 4 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.535 -0.133 18842 2437 1 4 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.666 2.662 18842 2438 1 4 . 1 1 91 91 PHE H H 91 9.050 9.050 8.844 0.206 18842 2439 1 4 . 1 1 92 92 ASN N N 92 115.876 115.876 117.136 -1.260 18842 2440 1 4 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.806 0.296 18842 2441 1 4 . 1 1 92 92 ASN C C 92 174.901 174.901 173.297 1.604 18842 2442 1 4 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.147 -0.940 18842 2443 1 4 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.987 -0.124 18842 2444 1 4 . 1 1 92 92 ASN H H 92 9.135 9.135 9.024 0.111 18842 2445 1 4 . 1 1 93 93 ASN N N 93 118.335 118.335 117.713 0.622 18842 2446 1 4 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.943 -0.042 18842 2447 1 4 . 1 1 93 93 ASN C C 93 174.579 174.579 174.853 -0.274 18842 2448 1 4 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.539 0.489 18842 2449 1 4 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.330 0.472 18842 2450 1 4 . 1 1 93 93 ASN H H 93 7.271 7.271 7.970 -0.699 18842 2451 1 4 . 1 1 94 94 ARG N N 94 129.027 129.027 121.701 7.326 18842 2452 1 4 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.327 -0.462 18842 2453 1 4 . 1 1 94 94 ARG C C 94 176.782 176.782 176.907 -0.125 18842 2454 1 4 . 1 1 94 94 ARG CA C 94 59.051 59.051 59.209 -0.158 18842 2455 1 4 . 1 1 94 94 ARG H H 94 9.334 9.334 8.851 0.483 18842 2456 1 4 . 1 1 95 95 THR N N 95 115.756 115.756 116.001 -0.245 18842 2457 1 4 . 1 1 95 95 THR HA H 95 4.028 4.028 4.137 -0.109 18842 2458 1 4 . 1 1 95 95 THR C C 95 176.742 176.742 176.613 0.129 18842 2459 1 4 . 1 1 95 95 THR CA C 95 66.325 66.325 65.274 1.051 18842 2460 1 4 . 1 1 95 95 THR CB C 95 68.281 68.281 68.524 -0.243 18842 2461 1 4 . 1 1 95 95 THR H H 95 8.000 8.000 8.197 -0.197 18842 2462 1 4 . 1 1 96 96 VAL N N 96 121.852 121.852 122.409 -0.557 18842 2463 1 4 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.844 -0.048 18842 2464 1 4 . 1 1 96 96 VAL C C 96 177.587 177.587 177.302 0.285 18842 2465 1 4 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.084 -0.126 18842 2466 1 4 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.511 0.516 18842 2467 1 4 . 1 1 96 96 VAL H H 96 7.609 7.609 8.218 -0.609 18842 2468 1 4 . 1 1 97 97 MET N N 97 117.469 117.469 116.666 0.803 18842 2469 1 4 . 1 1 97 97 MET HA H 97 2.337 2.337 4.404 -2.067 18842 2470 1 4 . 1 1 97 97 MET C C 97 177.257 177.257 178.096 -0.839 18842 2471 1 4 . 1 1 97 97 MET H H 97 7.337 7.337 7.755 -0.418 18842 2472 1 4 . 1 1 98 98 ASP N N 98 118.162 118.162 120.002 -1.840 18842 2473 1 4 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.433 -0.117 18842 2474 1 4 . 1 1 98 98 ASP C C 98 178.771 178.771 178.687 0.084 18842 2475 1 4 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.298 0.256 18842 2476 1 4 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.831 -1.052 18842 2477 1 4 . 1 1 98 98 ASP H H 98 8.729 8.729 8.076 0.653 18842 2478 1 4 . 1 1 99 99 ASN N N 99 120.303 120.303 118.850 1.453 18842 2479 1 4 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.617 -0.148 18842 2480 1 4 . 1 1 99 99 ASN C C 99 178.220 178.220 177.497 0.723 18842 2481 1 4 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.806 0.288 18842 2482 1 4 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.729 -0.357 18842 2483 1 4 . 1 1 99 99 ASN H H 99 8.104 8.104 8.058 0.046 18842 2484 1 4 . 1 1 100 100 ILE N N 100 121.160 121.160 121.027 0.133 18842 2485 1 4 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.801 -0.155 18842 2486 1 4 . 1 1 100 100 ILE C C 100 177.361 177.361 177.775 -0.414 18842 2487 1 4 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.709 -1.963 18842 2488 1 4 . 1 1 100 100 ILE CB C 100 35.702 35.702 36.971 -1.269 18842 2489 1 4 . 1 1 100 100 ILE H H 100 8.020 8.020 8.567 -0.547 18842 2490 1 4 . 1 1 101 101 LYS N N 101 120.747 120.747 119.677 1.070 18842 2491 1 4 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.978 -0.294 18842 2492 1 4 . 1 1 101 101 LYS C C 101 177.127 177.127 179.099 -1.972 18842 2493 1 4 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.690 0.470 18842 2494 1 4 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.108 0.889 18842 2495 1 4 . 1 1 101 101 LYS H H 101 8.907 8.907 8.152 0.755 18842 2496 1 4 . 1 1 102 102 MET N N 102 116.126 116.126 116.270 -0.144 18842 2497 1 4 . 1 1 102 102 MET HA H 102 4.245 4.245 4.395 -0.150 18842 2498 1 4 . 1 1 102 102 MET C C 102 178.941 178.941 178.247 0.694 18842 2499 1 4 . 1 1 102 102 MET CA C 102 58.367 58.367 58.221 0.146 18842 2500 1 4 . 1 1 102 102 MET CB C 102 32.055 32.055 33.120 -1.065 18842 2501 1 4 . 1 1 102 102 MET H H 102 8.002 8.002 7.634 0.368 18842 2502 1 4 . 1 1 103 103 THR N N 103 117.988 117.988 116.466 1.522 18842 2503 1 4 . 1 1 103 103 THR HA H 103 3.861 3.861 4.206 -0.345 18842 2504 1 4 . 1 1 103 103 THR C C 103 176.493 176.493 176.420 0.073 18842 2505 1 4 . 1 1 103 103 THR CA C 103 66.168 66.168 66.315 -0.147 18842 2506 1 4 . 1 1 103 103 THR CB C 103 67.923 67.923 69.456 -1.533 18842 2507 1 4 . 1 1 103 103 THR H H 103 7.694 7.694 8.112 -0.418 18842 2508 1 4 . 1 1 104 104 LEU N N 104 119.248 119.248 122.077 -2.829 18842 2509 1 4 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.065 -0.185 18842 2510 1 4 . 1 1 104 104 LEU C C 104 178.072 178.072 178.453 -0.381 18842 2511 1 4 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.430 -0.384 18842 2512 1 4 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.606 1.288 18842 2513 1 4 . 1 1 104 104 LEU H H 104 8.530 8.530 8.762 -0.232 18842 2514 1 4 . 1 1 105 105 GLN N N 105 119.071 119.071 117.179 1.892 18842 2515 1 4 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.851 0.117 18842 2516 1 4 . 1 1 105 105 GLN C C 105 178.675 178.675 178.314 0.361 18842 2517 1 4 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.840 0.233 18842 2518 1 4 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.812 0.156 18842 2519 1 4 . 1 1 105 105 GLN H H 105 8.623 8.623 7.820 0.803 18842 2520 1 4 . 1 1 106 106 GLN N N 106 117.946 117.946 119.184 -1.238 18842 2521 1 4 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.079 -0.040 18842 2522 1 4 . 1 1 106 106 GLN C C 106 178.677 178.677 178.229 0.448 18842 2523 1 4 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.507 0.208 18842 2524 1 4 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.438 0.026 18842 2525 1 4 . 1 1 106 106 GLN H H 106 7.581 7.581 7.944 -0.363 18842 2526 1 4 . 1 1 107 107 ILE N N 107 120.013 120.013 118.322 1.691 18842 2527 1 4 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.750 -0.285 18842 2528 1 4 . 1 1 107 107 ILE C C 107 177.586 177.586 178.016 -0.430 18842 2529 1 4 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.142 1.340 18842 2530 1 4 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.322 0.817 18842 2531 1 4 . 1 1 107 107 ILE H H 107 7.801 7.801 8.008 -0.207 18842 2532 1 4 . 1 1 108 108 ILE N N 108 117.686 117.686 122.575 -4.889 18842 2533 1 4 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.880 -0.096 18842 2534 1 4 . 1 1 108 108 ILE C C 108 179.171 179.171 178.507 0.664 18842 2535 1 4 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.278 2.325 18842 2536 1 4 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.267 1.974 18842 2537 1 4 . 1 1 108 108 ILE H H 108 8.734 8.734 8.201 0.533 18842 2538 1 4 . 1 1 109 109 SER N N 109 114.198 114.198 114.803 -0.605 18842 2539 1 4 . 1 1 109 109 SER HA H 109 4.214 4.214 4.065 0.149 18842 2540 1 4 . 1 1 109 109 SER C C 109 176.381 176.381 176.028 0.353 18842 2541 1 4 . 1 1 109 109 SER CA C 109 61.564 61.564 61.701 -0.137 18842 2542 1 4 . 1 1 109 109 SER CB C 109 62.831 62.831 62.940 -0.109 18842 2543 1 4 . 1 1 109 109 SER H H 109 7.881 7.881 8.329 -0.448 18842 2544 1 4 . 1 1 110 110 ARG N N 110 121.010 121.010 119.651 1.359 18842 2545 1 4 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.907 0.230 18842 2546 1 4 . 1 1 110 110 ARG C C 110 178.636 178.636 178.416 0.220 18842 2547 1 4 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.686 -0.310 18842 2548 1 4 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.879 -0.029 18842 2549 1 4 . 1 1 110 110 ARG H H 110 7.550 7.550 7.310 0.240 18842 2550 1 4 . 1 1 111 111 TYR N N 111 117.243 117.243 116.196 1.047 18842 2551 1 4 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.590 0.205 18842 2552 1 4 . 1 1 111 111 TYR C C 111 176.218 176.218 177.114 -0.896 18842 2553 1 4 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.363 -0.789 18842 2554 1 4 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.958 -0.466 18842 2555 1 4 . 1 1 111 111 TYR H H 111 7.496 7.496 7.906 -0.410 18842 2556 1 4 . 1 1 112 112 LYS N N 112 121.040 121.040 121.666 -0.626 18842 2557 1 4 . 1 1 112 112 LYS HA H 112 4.334 4.334 3.990 0.344 18842 2558 1 4 . 1 1 112 112 LYS C C 112 177.437 177.437 178.189 -0.752 18842 2559 1 4 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.775 -2.145 18842 2560 1 4 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.262 0.328 18842 2561 1 4 . 1 1 112 112 LYS H H 112 7.755 7.755 7.536 0.219 18842 2562 1 4 . 1 1 113 113 ASP N N 113 120.593 120.593 118.236 2.357 18842 2563 1 4 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.445 0.192 18842 2564 1 4 . 1 1 113 113 ASP C C 113 176.587 176.587 177.455 -0.868 18842 2565 1 4 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.850 0.243 18842 2566 1 4 . 1 1 113 113 ASP H H 113 8.246 8.246 7.958 0.288 18842 2567 1 4 . 1 1 114 114 ALA N N 114 123.721 123.721 121.101 2.620 18842 2568 1 4 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.244 0.105 18842 2569 1 4 . 1 1 114 114 ALA C C 114 178.004 178.004 178.398 -0.394 18842 2570 1 4 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.139 -0.253 18842 2571 1 4 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.349 -0.084 18842 2572 1 4 . 1 1 114 114 ALA H H 114 8.038 8.038 7.876 0.162 18842 2573 1 5 . 1 1 2 2 SER N N 2 113.417 113.417 115.950 -2.533 18842 2574 1 5 . 1 1 2 2 SER HA H 2 4.355 4.355 4.533 -0.178 18842 2575 1 5 . 1 1 2 2 SER CA C 2 58.647 58.647 60.026 -1.379 18842 2576 1 5 . 1 1 2 2 SER CB C 2 63.504 63.504 63.527 -0.023 18842 2577 1 5 . 1 1 2 2 SER H H 2 8.096 8.096 8.530 -0.434 18842 2578 1 5 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.768 -0.091 18842 2579 1 5 . 1 1 3 3 HIS C C 3 173.601 173.601 173.921 -0.320 18842 2580 1 5 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.499 0.730 18842 2581 1 5 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.593 2.730 18842 2582 1 5 . 1 1 4 4 SER N N 4 113.555 113.555 112.377 1.178 18842 2583 1 5 . 1 1 4 4 SER HA H 4 5.483 5.483 5.036 0.447 18842 2584 1 5 . 1 1 4 4 SER C C 4 173.624 173.624 173.095 0.529 18842 2585 1 5 . 1 1 4 4 SER CA C 4 56.904 56.904 57.876 -0.972 18842 2586 1 5 . 1 1 4 4 SER CB C 4 65.900 65.900 65.688 0.212 18842 2587 1 5 . 1 1 4 4 SER H H 4 7.865 7.865 7.417 0.448 18842 2588 1 5 . 1 1 5 5 GLY N N 5 107.050 107.050 108.209 -1.159 18842 2589 1 5 . 1 1 5 5 GLY C C 5 170.915 170.915 172.561 -1.646 18842 2590 1 5 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.373 1.044 18842 2591 1 5 . 1 1 5 5 GLY H H 5 8.370 8.370 8.943 -0.573 18842 2592 1 5 . 1 1 6 6 ALA N N 6 125.347 125.347 124.162 1.185 18842 2593 1 5 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.604 0.349 18842 2594 1 5 . 1 1 6 6 ALA C C 6 176.816 176.816 176.134 0.682 18842 2595 1 5 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.015 0.590 18842 2596 1 5 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.980 0.393 18842 2597 1 5 . 1 1 6 6 ALA H H 6 8.671 8.671 8.490 0.181 18842 2598 1 5 . 1 1 7 7 ALA N N 7 120.077 120.077 125.762 -5.685 18842 2599 1 5 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.400 0.262 18842 2600 1 5 . 1 1 7 7 ALA C C 7 176.697 176.697 175.835 0.862 18842 2601 1 5 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.717 1.951 18842 2602 1 5 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.501 2.547 18842 2603 1 5 . 1 1 7 7 ALA H H 7 8.391 8.391 7.986 0.405 18842 2604 1 5 . 1 1 8 8 ILE N N 8 125.517 125.517 120.299 5.218 18842 2605 1 5 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.987 -0.000 18842 2606 1 5 . 1 1 8 8 ILE C C 8 175.327 175.327 174.398 0.929 18842 2607 1 5 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.213 -1.369 18842 2608 1 5 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.050 -1.461 18842 2609 1 5 . 1 1 8 8 ILE H H 8 9.383 9.383 7.964 1.419 18842 2610 1 5 . 1 1 9 9 PHE N N 9 128.853 128.853 125.251 3.602 18842 2611 1 5 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.836 -0.519 18842 2612 1 5 . 1 1 9 9 PHE C C 9 173.920 173.920 174.417 -0.497 18842 2613 1 5 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.208 -0.090 18842 2614 1 5 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.815 -1.990 18842 2615 1 5 . 1 1 9 9 PHE H H 9 8.467 8.467 9.258 -0.791 18842 2616 1 5 . 1 1 10 10 GLU N N 10 126.396 126.396 126.270 0.126 18842 2617 1 5 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.653 -0.451 18842 2618 1 5 . 1 1 10 10 GLU C C 10 175.226 175.226 175.623 -0.397 18842 2619 1 5 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.357 -0.677 18842 2620 1 5 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.055 -0.360 18842 2621 1 5 . 1 1 10 10 GLU H H 10 8.769 8.769 9.205 -0.436 18842 2622 1 5 . 1 1 11 11 LYS N N 11 105.585 105.585 109.560 -3.975 18842 2623 1 5 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.888 -0.486 18842 2624 1 5 . 1 1 11 11 LYS C C 11 175.596 175.596 174.878 0.718 18842 2625 1 5 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.581 0.867 18842 2626 1 5 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.101 -0.967 18842 2627 1 5 . 1 1 11 11 LYS H H 11 7.931 7.931 8.350 -0.419 18842 2628 1 5 . 1 1 12 12 VAL N N 12 123.819 123.819 121.257 2.562 18842 2629 1 5 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.418 -0.001 18842 2630 1 5 . 1 1 12 12 VAL C C 12 175.188 175.188 174.479 0.709 18842 2631 1 5 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.323 1.362 18842 2632 1 5 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.392 -0.213 18842 2633 1 5 . 1 1 12 12 VAL H H 12 7.954 7.954 7.550 0.404 18842 2634 1 5 . 1 1 13 13 SER N N 13 121.981 121.981 122.172 -0.191 18842 2635 1 5 . 1 1 13 13 SER HA H 13 4.624 4.624 4.831 -0.207 18842 2636 1 5 . 1 1 13 13 SER C C 13 175.408 175.408 174.198 1.210 18842 2637 1 5 . 1 1 13 13 SER CA C 13 59.766 59.766 57.519 2.247 18842 2638 1 5 . 1 1 13 13 SER CB C 13 63.591 63.591 64.177 -0.585 18842 2639 1 5 . 1 1 13 13 SER H H 13 8.895 8.895 8.649 0.246 18842 2640 1 5 . 1 1 14 14 GLY N N 14 113.215 113.215 111.302 1.913 18842 2641 1 5 . 1 1 14 14 GLY C C 14 172.790 172.790 172.417 0.373 18842 2642 1 5 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.536 2.001 18842 2643 1 5 . 1 1 14 14 GLY H H 14 8.287 8.287 9.247 -0.960 18842 2644 1 5 . 1 1 15 15 ILE N N 15 123.244 123.244 119.759 3.485 18842 2645 1 5 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.369 0.451 18842 2646 1 5 . 1 1 15 15 ILE C C 15 175.417 175.417 174.065 1.352 18842 2647 1 5 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.567 -0.264 18842 2648 1 5 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.200 1.596 18842 2649 1 5 . 1 1 15 15 ILE H H 15 8.330 8.330 7.527 0.803 18842 2650 1 5 . 1 1 16 16 ILE N N 16 127.640 127.640 128.661 -1.021 18842 2651 1 5 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.299 0.668 18842 2652 1 5 . 1 1 16 16 ILE C C 16 173.248 173.248 173.776 -0.528 18842 2653 1 5 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.025 -0.213 18842 2654 1 5 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.276 2.447 18842 2655 1 5 . 1 1 16 16 ILE H H 16 9.438 9.438 9.221 0.217 18842 2656 1 5 . 1 1 17 17 ALA N N 17 127.760 127.760 130.852 -3.092 18842 2657 1 5 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.962 0.143 18842 2658 1 5 . 1 1 17 17 ALA C C 17 177.510 177.510 175.633 1.877 18842 2659 1 5 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.266 1.179 18842 2660 1 5 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.665 -0.504 18842 2661 1 5 . 1 1 17 17 ALA H H 17 8.968 8.968 8.600 0.368 18842 2662 1 5 . 1 1 18 18 ILE N N 18 122.269 122.269 123.100 -0.831 18842 2663 1 5 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.416 0.175 18842 2664 1 5 . 1 1 18 18 ILE C C 18 174.334 174.334 175.955 -1.621 18842 2665 1 5 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.705 -0.049 18842 2666 1 5 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.301 0.763 18842 2667 1 5 . 1 1 18 18 ILE H H 18 8.665 8.665 8.188 0.477 18842 2668 1 5 . 1 1 19 19 ASN N N 19 127.568 127.568 127.067 0.501 18842 2669 1 5 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.781 0.299 18842 2670 1 5 . 1 1 19 19 ASN C C 19 174.784 174.784 175.173 -0.389 18842 2671 1 5 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.051 -1.413 18842 2672 1 5 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.944 0.647 18842 2673 1 5 . 1 1 19 19 ASN H H 19 9.378 9.378 9.072 0.306 18842 2674 1 5 . 1 1 20 20 GLU N N 20 121.587 121.587 123.561 -1.974 18842 2675 1 5 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.382 0.321 18842 2676 1 5 . 1 1 20 20 GLU C C 20 176.152 176.152 175.429 0.723 18842 2677 1 5 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.996 -1.105 18842 2678 1 5 . 1 1 20 20 GLU CB C 20 30.867 30.867 30.092 0.775 18842 2679 1 5 . 1 1 20 20 GLU H H 20 9.046 9.046 7.908 1.138 18842 2680 1 5 . 1 1 21 21 ASP N N 21 121.077 121.077 117.391 3.686 18842 2681 1 5 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.736 -0.117 18842 2682 1 5 . 1 1 21 21 ASP C C 21 175.688 175.688 175.859 -0.171 18842 2683 1 5 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.568 0.944 18842 2684 1 5 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.440 -0.964 18842 2685 1 5 . 1 1 21 21 ASP H H 21 8.724 8.724 8.204 0.520 18842 2686 1 5 . 1 1 22 22 VAL N N 22 113.035 113.035 115.040 -2.005 18842 2687 1 5 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.347 -0.029 18842 2688 1 5 . 1 1 22 22 VAL C C 22 173.445 173.445 176.114 -2.669 18842 2689 1 5 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.286 -1.237 18842 2690 1 5 . 1 1 22 22 VAL CB C 22 34.022 34.022 34.371 -0.349 18842 2691 1 5 . 1 1 22 22 VAL H H 22 6.844 6.844 7.283 -0.439 18842 2692 1 5 . 1 1 23 23 SER N N 23 114.945 114.945 114.567 0.378 18842 2693 1 5 . 1 1 23 23 SER HA H 23 4.735 4.735 4.433 0.302 18842 2694 1 5 . 1 1 23 23 SER CA C 23 53.765 53.765 59.961 -6.196 18842 2695 1 5 . 1 1 23 23 SER CB C 23 64.743 64.743 61.533 3.210 18842 2696 1 5 . 1 1 23 23 SER H H 23 8.046 8.046 8.466 -0.421 18842 2697 1 5 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.592 0.176 18842 2698 1 5 . 1 1 24 24 PRO C C 24 174.807 174.807 175.898 -1.091 18842 2699 1 5 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.957 0.803 18842 2700 1 5 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.943 2.798 18842 2701 1 5 . 1 1 25 25 ALA N N 25 120.415 120.415 128.867 -8.452 18842 2702 1 5 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.383 0.132 18842 2703 1 5 . 1 1 25 25 ALA C C 25 175.790 175.790 177.078 -1.288 18842 2704 1 5 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.821 -0.288 18842 2705 1 5 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.275 1.307 18842 2706 1 5 . 1 1 25 25 ALA H H 25 7.979 7.979 8.520 -0.541 18842 2707 1 5 . 1 1 26 26 GLU N N 26 115.395 115.395 122.910 -7.515 18842 2708 1 5 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.071 -0.032 18842 2709 1 5 . 1 1 26 26 GLU C C 26 174.619 174.619 175.205 -0.586 18842 2710 1 5 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.153 -0.124 18842 2711 1 5 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.431 1.185 18842 2712 1 5 . 1 1 26 26 GLU H H 26 7.851 7.851 8.161 -0.310 18842 2713 1 5 . 1 1 27 27 LEU N N 27 124.661 124.661 122.766 1.895 18842 2714 1 5 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.868 0.158 18842 2715 1 5 . 1 1 27 27 LEU C C 27 174.740 174.740 175.077 -0.337 18842 2716 1 5 . 1 1 27 27 LEU CA C 27 53.781 53.781 53.987 -0.206 18842 2717 1 5 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.978 0.631 18842 2718 1 5 . 1 1 27 27 LEU H H 27 8.898 8.898 9.321 -0.423 18842 2719 1 5 . 1 1 28 28 THR N N 28 121.731 121.731 124.759 -3.028 18842 2720 1 5 . 1 1 28 28 THR HA H 28 5.207 5.207 5.013 0.194 18842 2721 1 5 . 1 1 28 28 THR C C 28 172.661 172.661 173.744 -1.083 18842 2722 1 5 . 1 1 28 28 THR CA C 28 61.178 61.178 61.825 -0.647 18842 2723 1 5 . 1 1 28 28 THR CB C 28 71.422 71.422 68.990 2.432 18842 2724 1 5 . 1 1 28 28 THR H H 28 9.283 9.283 9.239 0.044 18842 2725 1 5 . 1 1 29 29 TRP N N 29 128.950 128.950 131.563 -2.613 18842 2726 1 5 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.021 0.410 18842 2727 1 5 . 1 1 29 29 TRP C C 29 173.939 173.939 174.369 -0.430 18842 2728 1 5 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.963 -0.181 18842 2729 1 5 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.225 1.952 18842 2730 1 5 . 1 1 29 29 TRP H H 29 9.399 9.399 9.447 -0.048 18842 2731 1 5 . 1 1 30 30 ARG N N 30 126.402 126.402 129.597 -3.195 18842 2732 1 5 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.414 0.415 18842 2733 1 5 . 1 1 30 30 ARG C C 30 174.751 174.751 175.852 -1.101 18842 2734 1 5 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.046 -0.657 18842 2735 1 5 . 1 1 30 30 ARG CB C 30 33.818 33.818 30.969 2.849 18842 2736 1 5 . 1 1 30 30 ARG H H 30 7.613 7.613 9.075 -1.462 18842 2737 1 5 . 1 1 31 31 SER N N 31 118.353 118.353 120.796 -2.443 18842 2738 1 5 . 1 1 31 31 SER HA H 31 4.138 4.138 3.735 0.403 18842 2739 1 5 . 1 1 31 31 SER C C 31 176.426 176.426 175.508 0.918 18842 2740 1 5 . 1 1 31 31 SER CA C 31 58.013 58.013 58.340 -0.327 18842 2741 1 5 . 1 1 31 31 SER CB C 31 64.081 64.081 63.168 0.913 18842 2742 1 5 . 1 1 31 31 SER H H 31 8.086 8.086 8.304 -0.218 18842 2743 1 5 . 1 1 32 32 THR N N 32 119.213 119.213 114.085 5.128 18842 2744 1 5 . 1 1 32 32 THR HA H 32 3.856 3.856 4.100 -0.244 18842 2745 1 5 . 1 1 32 32 THR C C 32 175.664 175.664 175.681 -0.017 18842 2746 1 5 . 1 1 32 32 THR CA C 32 66.142 66.142 65.350 0.792 18842 2747 1 5 . 1 1 32 32 THR CB C 32 68.446 68.446 68.836 -0.390 18842 2748 1 5 . 1 1 32 32 THR H H 32 8.556 8.556 8.155 0.402 18842 2749 1 5 . 1 1 33 33 ASP N N 33 117.260 117.260 121.231 -3.971 18842 2750 1 5 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.568 0.059 18842 2751 1 5 . 1 1 33 33 ASP C C 33 177.098 177.098 176.831 0.267 18842 2752 1 5 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.905 -0.538 18842 2753 1 5 . 1 1 33 33 ASP H H 33 8.236 8.236 8.331 -0.095 18842 2754 1 5 . 1 1 34 34 GLY N N 34 109.136 109.136 106.338 2.798 18842 2755 1 5 . 1 1 34 34 GLY C C 34 173.778 173.778 174.308 -0.530 18842 2756 1 5 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.044 0.355 18842 2757 1 5 . 1 1 34 34 GLY H H 34 7.935 7.935 8.265 -0.330 18842 2758 1 5 . 1 1 35 35 ASP N N 35 117.913 117.913 119.124 -1.211 18842 2759 1 5 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.768 -0.238 18842 2760 1 5 . 1 1 35 35 ASP C C 35 175.403 175.403 175.758 -0.355 18842 2761 1 5 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.738 0.073 18842 2762 1 5 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.666 -0.624 18842 2763 1 5 . 1 1 35 35 ASP H H 35 8.271 8.271 8.160 0.111 18842 2764 1 5 . 1 1 36 36 LYS N N 36 120.335 120.335 119.824 0.511 18842 2765 1 5 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.737 0.170 18842 2766 1 5 . 1 1 36 36 LYS C C 36 174.651 174.651 174.378 0.273 18842 2767 1 5 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.219 0.188 18842 2768 1 5 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.319 0.515 18842 2769 1 5 . 1 1 36 36 LYS H H 36 7.769 7.769 8.239 -0.470 18842 2770 1 5 . 1 1 37 37 VAL N N 37 121.484 121.484 122.692 -1.208 18842 2771 1 5 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.224 0.091 18842 2772 1 5 . 1 1 37 37 VAL C C 37 175.069 175.069 175.246 -0.177 18842 2773 1 5 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.193 -0.095 18842 2774 1 5 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.402 0.656 18842 2775 1 5 . 1 1 37 37 VAL H H 37 8.582 8.582 8.584 -0.002 18842 2776 1 5 . 1 1 38 38 HIS N N 38 125.660 125.660 125.535 0.125 18842 2777 1 5 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.988 0.096 18842 2778 1 5 . 1 1 38 38 HIS C C 38 173.268 173.268 173.392 -0.124 18842 2779 1 5 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.854 0.214 18842 2780 1 5 . 1 1 38 38 HIS CB C 38 34.088 34.088 33.904 0.184 18842 2781 1 5 . 1 1 38 38 HIS H H 38 9.621 9.621 9.022 0.599 18842 2782 1 5 . 1 1 39 39 THR N N 39 124.752 124.752 119.870 4.882 18842 2783 1 5 . 1 1 39 39 THR HA H 39 5.139 5.139 5.055 0.084 18842 2784 1 5 . 1 1 39 39 THR C C 39 173.208 173.208 173.215 -0.007 18842 2785 1 5 . 1 1 39 39 THR CA C 39 61.518 61.518 61.167 0.351 18842 2786 1 5 . 1 1 39 39 THR CB C 39 70.665 70.665 71.108 -0.443 18842 2787 1 5 . 1 1 39 39 THR H H 39 8.527 8.527 7.999 0.528 18842 2788 1 5 . 1 1 40 40 VAL N N 40 126.002 126.002 125.432 0.570 18842 2789 1 5 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.281 -0.357 18842 2790 1 5 . 1 1 40 40 VAL C C 40 174.731 174.731 173.936 0.795 18842 2791 1 5 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.882 -0.532 18842 2792 1 5 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.785 -1.420 18842 2793 1 5 . 1 1 40 40 VAL H H 40 9.388 9.388 9.118 0.270 18842 2794 1 5 . 1 1 41 41 VAL N N 41 129.872 129.872 128.097 1.775 18842 2795 1 5 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.247 -0.263 18842 2796 1 5 . 1 1 41 41 VAL C C 41 179.410 179.410 176.555 2.855 18842 2797 1 5 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.696 1.920 18842 2798 1 5 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.695 -0.706 18842 2799 1 5 . 1 1 41 41 VAL H H 41 9.054 9.054 8.838 0.216 18842 2800 1 5 . 1 1 42 42 LEU N N 42 130.076 130.076 128.918 1.158 18842 2801 1 5 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.141 -0.187 18842 2802 1 5 . 1 1 42 42 LEU C C 42 176.121 176.121 178.119 -1.998 18842 2803 1 5 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.152 1.470 18842 2804 1 5 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.579 0.244 18842 2805 1 5 . 1 1 42 42 LEU H H 42 9.193 9.193 8.320 0.873 18842 2806 1 5 . 1 1 43 43 SER N N 43 109.703 109.703 112.270 -2.567 18842 2807 1 5 . 1 1 43 43 SER HA H 43 3.944 3.944 2.265 1.679 18842 2808 1 5 . 1 1 43 43 SER C C 43 175.455 175.455 175.107 0.348 18842 2809 1 5 . 1 1 43 43 SER CA C 43 59.442 59.442 60.419 -0.977 18842 2810 1 5 . 1 1 43 43 SER CB C 43 61.299 61.299 62.807 -1.508 18842 2811 1 5 . 1 1 43 43 SER H H 43 6.961 6.961 8.204 -1.243 18842 2812 1 5 . 1 1 44 44 THR N N 44 110.409 110.409 112.766 -2.357 18842 2813 1 5 . 1 1 44 44 THR HA H 44 4.519 4.519 4.188 0.331 18842 2814 1 5 . 1 1 44 44 THR C C 44 173.493 173.493 174.587 -1.094 18842 2815 1 5 . 1 1 44 44 THR CA C 44 62.076 62.076 63.091 -1.015 18842 2816 1 5 . 1 1 44 44 THR CB C 44 69.788 69.788 69.367 0.421 18842 2817 1 5 . 1 1 44 44 THR H H 44 7.657 7.657 7.850 -0.193 18842 2818 1 5 . 1 1 45 45 ILE N N 45 120.972 120.972 124.689 -3.717 18842 2819 1 5 . 1 1 45 45 ILE HA H 45 4.325 4.325 3.963 0.362 18842 2820 1 5 . 1 1 45 45 ILE C C 45 173.882 173.882 176.356 -2.474 18842 2821 1 5 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.732 -3.692 18842 2822 1 5 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.465 1.036 18842 2823 1 5 . 1 1 45 45 ILE H H 45 7.089 7.089 7.866 -0.777 18842 2824 1 5 . 1 1 46 46 ASP N N 46 126.759 126.759 129.430 -2.671 18842 2825 1 5 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.434 0.228 18842 2826 1 5 . 1 1 46 46 ASP C C 46 175.424 175.424 175.649 -0.225 18842 2827 1 5 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.327 -1.310 18842 2828 1 5 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.689 2.894 18842 2829 1 5 . 1 1 46 46 ASP H H 46 9.372 9.372 8.290 1.082 18842 2830 1 5 . 1 1 47 47 LYS N N 47 111.663 111.663 112.141 -0.478 18842 2831 1 5 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.417 0.336 18842 2832 1 5 . 1 1 47 47 LYS C C 47 172.574 172.574 173.664 -1.090 18842 2833 1 5 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.318 -0.703 18842 2834 1 5 . 1 1 47 47 LYS CB C 47 36.196 36.196 33.952 2.244 18842 2835 1 5 . 1 1 47 47 LYS H H 47 7.522 7.522 7.555 -0.033 18842 2836 1 5 . 1 1 48 48 LEU N N 48 123.295 123.295 120.665 2.630 18842 2837 1 5 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.812 0.331 18842 2838 1 5 . 1 1 48 48 LEU C C 48 174.770 174.770 176.500 -1.730 18842 2839 1 5 . 1 1 48 48 LEU CA C 48 52.936 52.936 54.091 -1.155 18842 2840 1 5 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.709 0.871 18842 2841 1 5 . 1 1 48 48 LEU H H 48 8.938 8.938 8.462 0.476 18842 2842 1 5 . 1 1 49 49 GLN N N 49 120.979 120.979 119.724 1.255 18842 2843 1 5 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.615 0.897 18842 2844 1 5 . 1 1 49 49 GLN C C 49 174.626 174.626 173.878 0.748 18842 2845 1 5 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.126 -1.495 18842 2846 1 5 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.355 0.734 18842 2847 1 5 . 1 1 49 49 GLN H H 49 9.246 9.246 8.623 0.623 18842 2848 1 5 . 1 1 50 50 ALA N N 50 122.440 122.440 126.110 -3.670 18842 2849 1 5 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.854 0.954 18842 2850 1 5 . 1 1 50 50 ALA C C 50 177.277 177.277 176.459 0.818 18842 2851 1 5 . 1 1 50 50 ALA CA C 50 50.621 50.621 50.682 -0.061 18842 2852 1 5 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.762 2.761 18842 2853 1 5 . 1 1 50 50 ALA H H 50 9.365 9.365 8.378 0.987 18842 2854 1 5 . 1 1 51 51 THR N N 51 114.289 114.289 117.491 -3.202 18842 2855 1 5 . 1 1 51 51 THR HA H 51 4.615 4.615 4.224 0.391 18842 2856 1 5 . 1 1 51 51 THR CA C 51 59.197 59.197 61.732 -2.535 18842 2857 1 5 . 1 1 51 51 THR CB C 51 67.937 67.937 67.863 0.074 18842 2858 1 5 . 1 1 51 51 THR H H 51 8.368 8.368 8.183 0.185 18842 2859 1 5 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.317 0.214 18842 2860 1 5 . 1 1 52 52 PRO C C 52 178.380 178.380 177.949 0.431 18842 2861 1 5 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.954 -0.579 18842 2862 1 5 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.041 0.599 18842 2863 1 5 . 1 1 53 53 ALA N N 53 126.235 126.235 123.144 3.091 18842 2864 1 5 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.003 0.027 18842 2865 1 5 . 1 1 53 53 ALA C C 53 177.700 177.700 178.626 -0.926 18842 2866 1 5 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.562 0.233 18842 2867 1 5 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.835 -0.816 18842 2868 1 5 . 1 1 53 53 ALA H H 53 9.122 9.122 8.369 0.753 18842 2869 1 5 . 1 1 54 54 SER N N 54 107.216 107.216 112.029 -4.813 18842 2870 1 5 . 1 1 54 54 SER HA H 54 4.238 4.238 4.305 -0.067 18842 2871 1 5 . 1 1 54 54 SER C C 54 174.957 174.957 173.973 0.984 18842 2872 1 5 . 1 1 54 54 SER CA C 54 58.260 58.260 59.774 -1.514 18842 2873 1 5 . 1 1 54 54 SER CB C 54 63.120 63.120 63.302 -0.182 18842 2874 1 5 . 1 1 54 54 SER H H 54 7.620 7.620 8.262 -0.642 18842 2875 1 5 . 1 1 55 55 SER N N 55 117.523 117.523 117.359 0.164 18842 2876 1 5 . 1 1 55 55 SER HA H 55 4.469 4.469 4.512 -0.043 18842 2877 1 5 . 1 1 55 55 SER C C 55 174.952 174.952 174.008 0.944 18842 2878 1 5 . 1 1 55 55 SER CA C 55 57.500 57.500 58.305 -0.805 18842 2879 1 5 . 1 1 55 55 SER CB C 55 63.801 63.801 63.751 0.050 18842 2880 1 5 . 1 1 55 55 SER H H 55 7.676 7.676 8.098 -0.422 18842 2881 1 5 . 1 1 56 56 GLU N N 56 124.557 124.557 123.937 0.620 18842 2882 1 5 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.181 -0.002 18842 2883 1 5 . 1 1 56 56 GLU C C 56 177.924 177.924 176.129 1.795 18842 2884 1 5 . 1 1 56 56 GLU CA C 56 57.661 57.661 57.399 0.262 18842 2885 1 5 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.889 -0.060 18842 2886 1 5 . 1 1 56 56 GLU H H 56 8.844 8.844 8.697 0.147 18842 2887 1 5 . 1 1 57 57 LYS N N 57 119.220 119.220 119.968 -0.748 18842 2888 1 5 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.386 -0.090 18842 2889 1 5 . 1 1 57 57 LYS C C 57 175.667 175.667 175.710 -0.043 18842 2890 1 5 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.920 0.935 18842 2891 1 5 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.086 1.769 18842 2892 1 5 . 1 1 57 57 LYS H H 57 8.259 8.259 7.838 0.421 18842 2893 1 5 . 1 1 58 58 MET N N 58 123.270 123.270 125.294 -2.024 18842 2894 1 5 . 1 1 58 58 MET HA H 58 4.288 4.288 4.334 -0.046 18842 2895 1 5 . 1 1 58 58 MET C C 58 174.107 174.107 175.523 -1.416 18842 2896 1 5 . 1 1 58 58 MET CA C 58 55.067 55.067 56.186 -1.119 18842 2897 1 5 . 1 1 58 58 MET CB C 58 35.381 35.381 32.434 2.947 18842 2898 1 5 . 1 1 58 58 MET H H 58 8.811 8.811 8.873 -0.062 18842 2899 1 5 . 1 1 59 59 MET N N 59 120.490 120.490 121.209 -0.719 18842 2900 1 5 . 1 1 59 59 MET HA H 59 5.873 5.873 5.286 0.587 18842 2901 1 5 . 1 1 59 59 MET C C 59 174.459 174.459 173.361 1.098 18842 2902 1 5 . 1 1 59 59 MET CA C 59 54.903 54.903 54.948 -0.045 18842 2903 1 5 . 1 1 59 59 MET CB C 59 39.231 39.231 36.327 2.904 18842 2904 1 5 . 1 1 59 59 MET H H 59 8.395 8.395 8.864 -0.469 18842 2905 1 5 . 1 1 60 60 LEU N N 60 118.105 118.105 121.797 -3.692 18842 2906 1 5 . 1 1 60 60 LEU HA H 60 5.664 5.664 5.028 0.636 18842 2907 1 5 . 1 1 60 60 LEU C C 60 175.664 175.664 175.263 0.401 18842 2908 1 5 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.113 -0.985 18842 2909 1 5 . 1 1 60 60 LEU CB C 60 47.435 47.435 46.203 1.232 18842 2910 1 5 . 1 1 60 60 LEU H H 60 9.103 9.103 9.437 -0.334 18842 2911 1 5 . 1 1 61 61 ARG N N 61 120.757 120.757 121.049 -0.292 18842 2912 1 5 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.266 0.192 18842 2913 1 5 . 1 1 61 61 ARG C C 61 173.515 173.515 174.160 -0.645 18842 2914 1 5 . 1 1 61 61 ARG CA C 61 54.724 54.724 53.767 0.957 18842 2915 1 5 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.959 1.173 18842 2916 1 5 . 1 1 61 61 ARG H H 61 9.287 9.287 8.972 0.315 18842 2917 1 5 . 1 1 62 62 LEU N N 62 127.139 127.139 123.363 3.776 18842 2918 1 5 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.763 0.266 18842 2919 1 5 . 1 1 62 62 LEU C C 62 175.440 175.440 175.195 0.245 18842 2920 1 5 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.457 0.943 18842 2921 1 5 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.317 -2.214 18842 2922 1 5 . 1 1 62 62 LEU H H 62 9.307 9.307 8.323 0.984 18842 2923 1 5 . 1 1 63 63 ILE N N 63 123.292 123.292 126.095 -2.803 18842 2924 1 5 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.208 0.380 18842 2925 1 5 . 1 1 63 63 ILE C C 63 176.319 176.319 175.219 1.100 18842 2926 1 5 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.188 0.199 18842 2927 1 5 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.178 -0.057 18842 2928 1 5 . 1 1 63 63 ILE H H 63 8.891 8.891 8.970 -0.079 18842 2929 1 5 . 1 1 64 64 GLY N N 64 115.565 115.565 113.674 1.891 18842 2930 1 5 . 1 1 64 64 GLY C C 64 172.551 172.551 173.222 -0.671 18842 2931 1 5 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.536 1.893 18842 2932 1 5 . 1 1 64 64 GLY H H 64 9.356 9.356 7.921 1.435 18842 2933 1 5 . 1 1 65 65 LYS N N 65 119.442 119.442 121.427 -1.985 18842 2934 1 5 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.033 0.262 18842 2935 1 5 . 1 1 65 65 LYS C C 65 176.205 176.205 176.558 -0.353 18842 2936 1 5 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.442 -0.854 18842 2937 1 5 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.792 1.561 18842 2938 1 5 . 1 1 65 65 LYS H H 65 8.361 8.361 8.350 0.011 18842 2939 1 5 . 1 1 66 66 VAL N N 66 122.131 122.131 125.014 -2.883 18842 2940 1 5 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.238 -0.152 18842 2941 1 5 . 1 1 66 66 VAL C C 66 175.265 175.265 174.210 1.055 18842 2942 1 5 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.204 0.859 18842 2943 1 5 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.615 0.649 18842 2944 1 5 . 1 1 66 66 VAL H H 66 8.637 8.637 8.606 0.031 18842 2945 1 5 . 1 1 67 67 ASP N N 67 125.510 125.510 116.623 8.887 18842 2946 1 5 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.639 0.088 18842 2947 1 5 . 1 1 67 67 ASP C C 67 176.708 176.708 174.823 1.885 18842 2948 1 5 . 1 1 67 67 ASP CA C 67 53.140 53.140 53.859 -0.719 18842 2949 1 5 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.634 -0.704 18842 2950 1 5 . 1 1 67 67 ASP H H 67 8.460 8.460 8.076 0.384 18842 2951 1 5 . 1 1 68 68 GLU N N 68 124.449 124.449 123.826 0.623 18842 2952 1 5 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.481 -0.393 18842 2953 1 5 . 1 1 68 68 GLU C C 68 177.451 177.451 176.786 0.665 18842 2954 1 5 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.239 1.616 18842 2955 1 5 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.682 -0.005 18842 2956 1 5 . 1 1 68 68 GLU H H 68 8.752 8.752 8.714 0.038 18842 2957 1 5 . 1 1 69 69 SER N N 69 115.515 115.515 114.622 0.893 18842 2958 1 5 . 1 1 69 69 SER HA H 69 4.329 4.329 4.440 -0.111 18842 2959 1 5 . 1 1 69 69 SER C C 69 175.277 175.277 175.152 0.125 18842 2960 1 5 . 1 1 69 69 SER CA C 69 60.139 60.139 58.880 1.260 18842 2961 1 5 . 1 1 69 69 SER CB C 69 63.223 63.223 64.138 -0.915 18842 2962 1 5 . 1 1 69 69 SER H H 69 8.497 8.497 8.059 0.438 18842 2963 1 5 . 1 1 70 70 LYS N N 70 121.733 121.733 121.490 0.243 18842 2964 1 5 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.485 -0.075 18842 2965 1 5 . 1 1 70 70 LYS C C 70 177.124 177.124 175.504 1.620 18842 2966 1 5 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.157 -0.833 18842 2967 1 5 . 1 1 70 70 LYS H H 70 7.689 7.689 8.207 -0.518 18842 2968 1 5 . 1 1 71 71 LYS N N 71 121.012 121.012 121.769 -0.757 18842 2969 1 5 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.166 0.241 18842 2970 1 5 . 1 1 71 71 LYS C C 71 176.175 176.175 176.735 -0.560 18842 2971 1 5 . 1 1 71 71 LYS CA C 71 56.612 56.612 56.955 -0.343 18842 2972 1 5 . 1 1 71 71 LYS H H 71 7.750 7.750 8.278 -0.528 18842 2973 1 5 . 1 1 72 72 ARG N N 72 122.064 122.064 118.346 3.718 18842 2974 1 5 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.634 -0.033 18842 2975 1 5 . 1 1 72 72 ARG C C 72 175.228 175.228 174.302 0.926 18842 2976 1 5 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.027 -0.098 18842 2977 1 5 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.508 -0.183 18842 2978 1 5 . 1 1 72 72 ARG H H 72 8.420 8.420 8.147 0.273 18842 2979 1 5 . 1 1 73 73 LYS N N 73 121.217 121.217 118.626 2.591 18842 2980 1 5 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.864 0.069 18842 2981 1 5 . 1 1 73 73 LYS C C 73 177.010 177.010 176.000 1.010 18842 2982 1 5 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.021 0.184 18842 2983 1 5 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.947 0.733 18842 2984 1 5 . 1 1 73 73 LYS H H 73 8.401 8.401 8.301 0.100 18842 2985 1 5 . 1 1 74 74 ASP N N 74 122.025 122.025 120.107 1.918 18842 2986 1 5 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.751 -0.041 18842 2987 1 5 . 1 1 74 74 ASP C C 74 177.475 177.475 176.216 1.259 18842 2988 1 5 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.272 -0.516 18842 2989 1 5 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.231 -0.209 18842 2990 1 5 . 1 1 74 74 ASP H H 74 8.582 8.582 8.401 0.181 18842 2991 1 5 . 1 1 75 75 ASN N N 75 116.228 116.228 116.126 0.102 18842 2992 1 5 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.438 0.098 18842 2993 1 5 . 1 1 75 75 ASN C C 75 175.999 175.999 175.062 0.937 18842 2994 1 5 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.745 0.108 18842 2995 1 5 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.825 0.307 18842 2996 1 5 . 1 1 75 75 ASN H H 75 8.433 8.433 8.536 -0.103 18842 2997 1 5 . 1 1 76 76 GLU N N 76 118.958 118.958 117.519 1.439 18842 2998 1 5 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.487 -0.106 18842 2999 1 5 . 1 1 76 76 GLU C C 76 176.556 176.556 177.052 -0.496 18842 3000 1 5 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.405 -0.242 18842 3001 1 5 . 1 1 76 76 GLU H H 76 8.162 8.162 8.409 -0.247 18842 3002 1 5 . 1 1 77 77 GLY N N 77 108.062 108.062 107.008 1.054 18842 3003 1 5 . 1 1 77 77 GLY C C 77 174.247 174.247 173.202 1.045 18842 3004 1 5 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.706 0.503 18842 3005 1 5 . 1 1 77 77 GLY H H 77 8.106 8.106 8.067 0.039 18842 3006 1 5 . 1 1 78 78 ASN N N 78 119.929 119.929 120.696 -0.767 18842 3007 1 5 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.802 -0.056 18842 3008 1 5 . 1 1 78 78 ASN C C 78 175.035 175.035 174.741 0.294 18842 3009 1 5 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.279 0.516 18842 3010 1 5 . 1 1 78 78 ASN CB C 78 38.945 38.945 38.652 0.293 18842 3011 1 5 . 1 1 78 78 ASN H H 78 8.569 8.569 8.259 0.310 18842 3012 1 5 . 1 1 79 79 GLU N N 79 121.658 121.658 125.636 -3.978 18842 3013 1 5 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.219 0.262 18842 3014 1 5 . 1 1 79 79 GLU C C 79 176.302 176.302 175.870 0.432 18842 3015 1 5 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.298 0.364 18842 3016 1 5 . 1 1 79 79 GLU CB C 79 30.643 30.643 27.634 3.009 18842 3017 1 5 . 1 1 79 79 GLU H H 79 8.691 8.691 8.761 -0.070 18842 3018 1 5 . 1 1 80 80 VAL N N 80 123.997 123.997 118.059 5.938 18842 3019 1 5 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.369 -0.114 18842 3020 1 5 . 1 1 80 80 VAL C C 80 175.544 175.544 174.974 0.570 18842 3021 1 5 . 1 1 80 80 VAL CA C 80 61.293 61.293 61.184 0.109 18842 3022 1 5 . 1 1 80 80 VAL CB C 80 33.543 33.543 33.024 0.519 18842 3023 1 5 . 1 1 80 80 VAL H H 80 8.581 8.581 8.309 0.272 18842 3024 1 5 . 1 1 81 81 VAL N N 81 126.545 126.545 118.464 8.081 18842 3025 1 5 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.415 0.011 18842 3026 1 5 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.091 0.460 18842 3027 1 5 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.584 0.310 18842 3028 1 5 . 1 1 81 81 VAL H H 81 8.407 8.407 8.301 0.106 18842 3029 1 5 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.292 0.140 18842 3030 1 5 . 1 1 82 82 PRO C C 82 176.036 176.036 176.084 -0.048 18842 3031 1 5 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.001 -0.436 18842 3032 1 5 . 1 1 83 83 LYS N N 83 121.727 121.727 123.037 -1.310 18842 3033 1 5 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.196 0.355 18842 3034 1 5 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.972 -2.193 18842 3035 1 5 . 1 1 83 83 LYS H H 83 8.316 8.316 8.382 -0.066 18842 3036 1 5 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.385 -0.092 18842 3037 1 5 . 1 1 84 84 PRO C C 84 176.883 176.883 176.474 0.409 18842 3038 1 5 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.422 0.054 18842 3039 1 5 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.498 -0.056 18842 3040 1 5 . 1 1 85 85 GLN N N 85 121.423 121.423 121.206 0.217 18842 3041 1 5 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.131 0.014 18842 3042 1 5 . 1 1 85 85 GLN C C 85 175.026 175.026 175.361 -0.335 18842 3043 1 5 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.670 -0.629 18842 3044 1 5 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.292 1.517 18842 3045 1 5 . 1 1 85 85 GLN H H 85 8.471 8.471 8.534 -0.063 18842 3046 1 5 . 1 1 86 86 ARG N N 86 120.972 120.972 121.845 -0.873 18842 3047 1 5 . 1 1 86 86 ARG HA H 86 5.187 5.187 5.000 0.187 18842 3048 1 5 . 1 1 86 86 ARG C C 86 175.091 175.091 174.906 0.185 18842 3049 1 5 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.912 0.480 18842 3050 1 5 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.723 -0.295 18842 3051 1 5 . 1 1 86 86 ARG H H 86 8.265 8.265 8.083 0.182 18842 3052 1 5 . 1 1 87 87 HIS N N 87 120.390 120.390 118.029 2.361 18842 3053 1 5 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.924 -0.179 18842 3054 1 5 . 1 1 87 87 HIS C C 87 173.730 173.730 173.610 0.120 18842 3055 1 5 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.636 -0.429 18842 3056 1 5 . 1 1 87 87 HIS CB C 87 33.597 33.597 32.791 0.806 18842 3057 1 5 . 1 1 87 87 HIS H H 87 8.590 8.590 8.224 0.366 18842 3058 1 5 . 1 1 88 88 MET N N 88 126.611 126.611 121.467 5.144 18842 3059 1 5 . 1 1 88 88 MET HA H 88 5.320 5.320 4.458 0.862 18842 3060 1 5 . 1 1 88 88 MET C C 88 173.520 173.520 174.026 -0.506 18842 3061 1 5 . 1 1 88 88 MET CA C 88 54.782 54.782 54.812 -0.030 18842 3062 1 5 . 1 1 88 88 MET CB C 88 35.451 35.451 33.787 1.664 18842 3063 1 5 . 1 1 88 88 MET H H 88 8.716 8.716 8.723 -0.007 18842 3064 1 5 . 1 1 89 89 PHE N N 89 122.328 122.328 126.404 -4.076 18842 3065 1 5 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.630 -0.420 18842 3066 1 5 . 1 1 89 89 PHE C C 89 174.448 174.448 175.374 -0.926 18842 3067 1 5 . 1 1 89 89 PHE CA C 89 56.452 56.452 54.527 1.925 18842 3068 1 5 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.059 3.029 18842 3069 1 5 . 1 1 89 89 PHE H H 89 8.989 8.989 8.973 0.016 18842 3070 1 5 . 1 1 90 90 SER N N 90 116.094 116.094 119.332 -3.238 18842 3071 1 5 . 1 1 90 90 SER HA H 90 5.681 5.681 5.011 0.670 18842 3072 1 5 . 1 1 90 90 SER C C 90 173.094 173.094 173.872 -0.778 18842 3073 1 5 . 1 1 90 90 SER CA C 90 56.645 56.645 57.527 -0.882 18842 3074 1 5 . 1 1 90 90 SER CB C 90 64.824 64.824 64.001 0.823 18842 3075 1 5 . 1 1 90 90 SER H H 90 8.680 8.680 8.482 0.198 18842 3076 1 5 . 1 1 91 91 PHE N N 91 120.812 120.812 124.486 -3.674 18842 3077 1 5 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.496 0.398 18842 3078 1 5 . 1 1 91 91 PHE C C 91 174.500 174.500 175.973 -1.473 18842 3079 1 5 . 1 1 91 91 PHE CA C 91 57.402 57.402 58.566 -1.164 18842 3080 1 5 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.426 2.901 18842 3081 1 5 . 1 1 91 91 PHE H H 91 9.050 9.050 8.788 0.262 18842 3082 1 5 . 1 1 92 92 ASN N N 92 115.876 115.876 118.607 -2.731 18842 3083 1 5 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.805 0.297 18842 3084 1 5 . 1 1 92 92 ASN C C 92 174.901 174.901 174.629 0.272 18842 3085 1 5 . 1 1 92 92 ASN CA C 92 52.207 52.207 52.443 -0.236 18842 3086 1 5 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.107 0.757 18842 3087 1 5 . 1 1 92 92 ASN H H 92 9.135 9.135 8.879 0.256 18842 3088 1 5 . 1 1 93 93 ASN N N 93 118.335 118.335 116.773 1.562 18842 3089 1 5 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.811 0.090 18842 3090 1 5 . 1 1 93 93 ASN C C 93 174.579 174.579 175.049 -0.470 18842 3091 1 5 . 1 1 93 93 ASN CA C 93 53.028 53.028 53.153 -0.125 18842 3092 1 5 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.942 0.860 18842 3093 1 5 . 1 1 93 93 ASN H H 93 7.271 7.271 7.950 -0.679 18842 3094 1 5 . 1 1 94 94 ARG N N 94 129.027 129.027 121.381 7.646 18842 3095 1 5 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.301 -0.436 18842 3096 1 5 . 1 1 94 94 ARG C C 94 176.782 176.782 177.044 -0.262 18842 3097 1 5 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.771 0.280 18842 3098 1 5 . 1 1 94 94 ARG H H 94 9.334 9.334 8.702 0.632 18842 3099 1 5 . 1 1 95 95 THR N N 95 115.756 115.756 115.428 0.328 18842 3100 1 5 . 1 1 95 95 THR HA H 95 4.028 4.028 4.304 -0.276 18842 3101 1 5 . 1 1 95 95 THR C C 95 176.742 176.742 176.470 0.272 18842 3102 1 5 . 1 1 95 95 THR CA C 95 66.325 66.325 65.821 0.504 18842 3103 1 5 . 1 1 95 95 THR CB C 95 68.281 68.281 68.153 0.128 18842 3104 1 5 . 1 1 95 95 THR H H 95 8.000 8.000 8.053 -0.053 18842 3105 1 5 . 1 1 96 96 VAL N N 96 121.852 121.852 120.212 1.640 18842 3106 1 5 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.795 0.001 18842 3107 1 5 . 1 1 96 96 VAL C C 96 177.587 177.587 177.038 0.549 18842 3108 1 5 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.115 -0.157 18842 3109 1 5 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.984 0.043 18842 3110 1 5 . 1 1 96 96 VAL H H 96 7.609 7.609 8.247 -0.638 18842 3111 1 5 . 1 1 97 97 MET N N 97 117.469 117.469 118.898 -1.429 18842 3112 1 5 . 1 1 97 97 MET HA H 97 2.337 2.337 3.995 -1.658 18842 3113 1 5 . 1 1 97 97 MET C C 97 177.257 177.257 176.820 0.437 18842 3114 1 5 . 1 1 97 97 MET H H 97 7.337 7.337 7.714 -0.377 18842 3115 1 5 . 1 1 98 98 ASP N N 98 118.162 118.162 118.973 -0.811 18842 3116 1 5 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.364 -0.048 18842 3117 1 5 . 1 1 98 98 ASP C C 98 178.771 178.771 179.036 -0.265 18842 3118 1 5 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.367 0.187 18842 3119 1 5 . 1 1 98 98 ASP CB C 98 39.779 39.779 39.902 -0.123 18842 3120 1 5 . 1 1 98 98 ASP H H 98 8.729 8.729 7.878 0.851 18842 3121 1 5 . 1 1 99 99 ASN N N 99 120.303 120.303 117.849 2.454 18842 3122 1 5 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.588 -0.119 18842 3123 1 5 . 1 1 99 99 ASN C C 99 178.220 178.220 176.475 1.745 18842 3124 1 5 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.009 0.085 18842 3125 1 5 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.852 -0.479 18842 3126 1 5 . 1 1 99 99 ASN H H 99 8.104 8.104 7.709 0.395 18842 3127 1 5 . 1 1 100 100 ILE N N 100 121.160 121.160 120.704 0.456 18842 3128 1 5 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.983 -0.337 18842 3129 1 5 . 1 1 100 100 ILE C C 100 177.361 177.361 177.789 -0.428 18842 3130 1 5 . 1 1 100 100 ILE CA C 100 62.746 62.746 63.205 -0.459 18842 3131 1 5 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.755 -2.053 18842 3132 1 5 . 1 1 100 100 ILE H H 100 8.020 8.020 7.846 0.174 18842 3133 1 5 . 1 1 101 101 LYS N N 101 120.747 120.747 120.369 0.378 18842 3134 1 5 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.902 -0.218 18842 3135 1 5 . 1 1 101 101 LYS C C 101 177.127 177.127 179.026 -1.899 18842 3136 1 5 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.261 -0.101 18842 3137 1 5 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.364 0.633 18842 3138 1 5 . 1 1 101 101 LYS H H 101 8.907 8.907 8.443 0.464 18842 3139 1 5 . 1 1 102 102 MET N N 102 116.126 116.126 115.474 0.652 18842 3140 1 5 . 1 1 102 102 MET HA H 102 4.245 4.245 4.521 -0.276 18842 3141 1 5 . 1 1 102 102 MET C C 102 178.941 178.941 177.930 1.011 18842 3142 1 5 . 1 1 102 102 MET CA C 102 58.367 58.367 58.205 0.163 18842 3143 1 5 . 1 1 102 102 MET CB C 102 32.055 32.055 32.966 -0.911 18842 3144 1 5 . 1 1 102 102 MET H H 102 8.002 8.002 7.607 0.395 18842 3145 1 5 . 1 1 103 103 THR N N 103 117.988 117.988 116.444 1.544 18842 3146 1 5 . 1 1 103 103 THR HA H 103 3.861 3.861 4.018 -0.157 18842 3147 1 5 . 1 1 103 103 THR C C 103 176.493 176.493 176.245 0.248 18842 3148 1 5 . 1 1 103 103 THR CA C 103 66.168 66.168 65.978 0.190 18842 3149 1 5 . 1 1 103 103 THR CB C 103 67.923 67.923 69.081 -1.158 18842 3150 1 5 . 1 1 103 103 THR H H 103 7.694 7.694 7.329 0.365 18842 3151 1 5 . 1 1 104 104 LEU N N 104 119.248 119.248 121.460 -2.212 18842 3152 1 5 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.984 -0.104 18842 3153 1 5 . 1 1 104 104 LEU C C 104 178.072 178.072 178.249 -0.177 18842 3154 1 5 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.535 -0.489 18842 3155 1 5 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.497 1.397 18842 3156 1 5 . 1 1 104 104 LEU H H 104 8.530 8.530 8.750 -0.220 18842 3157 1 5 . 1 1 105 105 GLN N N 105 119.071 119.071 117.223 1.848 18842 3158 1 5 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.840 0.128 18842 3159 1 5 . 1 1 105 105 GLN C C 105 178.675 178.675 178.259 0.416 18842 3160 1 5 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.823 0.250 18842 3161 1 5 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.791 0.177 18842 3162 1 5 . 1 1 105 105 GLN H H 105 8.623 8.623 7.787 0.836 18842 3163 1 5 . 1 1 106 106 GLN N N 106 117.946 117.946 119.130 -1.184 18842 3164 1 5 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.064 -0.025 18842 3165 1 5 . 1 1 106 106 GLN C C 106 178.677 178.677 178.515 0.162 18842 3166 1 5 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.540 0.175 18842 3167 1 5 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.474 -0.010 18842 3168 1 5 . 1 1 106 106 GLN H H 106 7.581 7.581 7.886 -0.305 18842 3169 1 5 . 1 1 107 107 ILE N N 107 120.013 120.013 119.403 0.610 18842 3170 1 5 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.709 -0.244 18842 3171 1 5 . 1 1 107 107 ILE C C 107 177.586 177.586 177.395 0.191 18842 3172 1 5 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.305 1.177 18842 3173 1 5 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.094 1.045 18842 3174 1 5 . 1 1 107 107 ILE H H 107 7.801 7.801 8.015 -0.214 18842 3175 1 5 . 1 1 108 108 ILE N N 108 117.686 117.686 121.344 -3.658 18842 3176 1 5 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.830 -0.046 18842 3177 1 5 . 1 1 108 108 ILE C C 108 179.171 179.171 178.704 0.467 18842 3178 1 5 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.182 2.421 18842 3179 1 5 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.601 1.640 18842 3180 1 5 . 1 1 108 108 ILE H H 108 8.734 8.734 7.962 0.772 18842 3181 1 5 . 1 1 109 109 SER N N 109 114.198 114.198 115.050 -0.852 18842 3182 1 5 . 1 1 109 109 SER HA H 109 4.214 4.214 4.096 0.118 18842 3183 1 5 . 1 1 109 109 SER C C 109 176.381 176.381 176.248 0.133 18842 3184 1 5 . 1 1 109 109 SER CA C 109 61.564 61.564 61.973 -0.409 18842 3185 1 5 . 1 1 109 109 SER CB C 109 62.831 62.831 62.784 0.047 18842 3186 1 5 . 1 1 109 109 SER H H 109 7.881 7.881 8.333 -0.452 18842 3187 1 5 . 1 1 110 110 ARG N N 110 121.010 121.010 119.831 1.179 18842 3188 1 5 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.905 0.232 18842 3189 1 5 . 1 1 110 110 ARG C C 110 178.636 178.636 177.645 0.991 18842 3190 1 5 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.608 -0.232 18842 3191 1 5 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.864 -0.014 18842 3192 1 5 . 1 1 110 110 ARG H H 110 7.550 7.550 7.210 0.340 18842 3193 1 5 . 1 1 111 111 TYR N N 111 117.243 117.243 116.532 0.711 18842 3194 1 5 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.579 0.216 18842 3195 1 5 . 1 1 111 111 TYR C C 111 176.218 176.218 177.401 -1.183 18842 3196 1 5 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.400 -1.826 18842 3197 1 5 . 1 1 111 111 TYR CB C 111 37.492 37.492 38.389 -0.897 18842 3198 1 5 . 1 1 111 111 TYR H H 111 7.496 7.496 7.764 -0.268 18842 3199 1 5 . 1 1 112 112 LYS N N 112 121.040 121.040 120.170 0.870 18842 3200 1 5 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.025 0.309 18842 3201 1 5 . 1 1 112 112 LYS C C 112 177.437 177.437 178.336 -0.899 18842 3202 1 5 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.307 -1.677 18842 3203 1 5 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.125 0.465 18842 3204 1 5 . 1 1 112 112 LYS H H 112 7.755 7.755 7.583 0.172 18842 3205 1 5 . 1 1 113 113 ASP N N 113 120.593 120.593 118.728 1.865 18842 3206 1 5 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.461 0.176 18842 3207 1 5 . 1 1 113 113 ASP C C 113 176.587 176.587 177.490 -0.903 18842 3208 1 5 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.797 0.296 18842 3209 1 5 . 1 1 113 113 ASP H H 113 8.246 8.246 7.964 0.282 18842 3210 1 5 . 1 1 114 114 ALA N N 114 123.721 123.721 120.546 3.175 18842 3211 1 5 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.231 0.118 18842 3212 1 5 . 1 1 114 114 ALA C C 114 178.004 178.004 178.180 -0.176 18842 3213 1 5 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.991 -0.105 18842 3214 1 5 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.393 -0.128 18842 3215 1 5 . 1 1 114 114 ALA H H 114 8.038 8.038 7.771 0.267 18842 3216 1 6 . 1 1 2 2 SER N N 2 113.417 113.417 114.538 -1.121 18842 3217 1 6 . 1 1 2 2 SER HA H 2 4.355 4.355 4.295 0.060 18842 3218 1 6 . 1 1 2 2 SER CA C 2 58.647 58.647 60.579 -1.932 18842 3219 1 6 . 1 1 2 2 SER CB C 2 63.504 63.504 63.444 0.060 18842 3220 1 6 . 1 1 2 2 SER H H 2 8.096 8.096 8.482 -0.386 18842 3221 1 6 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.687 -0.010 18842 3222 1 6 . 1 1 3 3 HIS C C 3 173.601 173.601 173.421 0.180 18842 3223 1 6 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.288 0.941 18842 3224 1 6 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.640 2.683 18842 3225 1 6 . 1 1 4 4 SER N N 4 113.555 113.555 111.818 1.737 18842 3226 1 6 . 1 1 4 4 SER HA H 4 5.483 5.483 4.972 0.511 18842 3227 1 6 . 1 1 4 4 SER C C 4 173.624 173.624 172.298 1.326 18842 3228 1 6 . 1 1 4 4 SER CA C 4 56.904 56.904 58.040 -1.136 18842 3229 1 6 . 1 1 4 4 SER CB C 4 65.900 65.900 65.709 0.191 18842 3230 1 6 . 1 1 4 4 SER H H 4 7.865 7.865 7.353 0.512 18842 3231 1 6 . 1 1 5 5 GLY N N 5 107.050 107.050 106.319 0.731 18842 3232 1 6 . 1 1 5 5 GLY C C 5 170.915 170.915 171.935 -1.020 18842 3233 1 6 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.409 1.008 18842 3234 1 6 . 1 1 5 5 GLY H H 5 8.370 8.370 8.803 -0.433 18842 3235 1 6 . 1 1 6 6 ALA N N 6 125.347 125.347 123.674 1.673 18842 3236 1 6 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.633 0.320 18842 3237 1 6 . 1 1 6 6 ALA C C 6 176.816 176.816 176.247 0.569 18842 3238 1 6 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.260 0.345 18842 3239 1 6 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.004 0.369 18842 3240 1 6 . 1 1 6 6 ALA H H 6 8.671 8.671 8.432 0.239 18842 3241 1 6 . 1 1 7 7 ALA N N 7 120.077 120.077 126.418 -6.341 18842 3242 1 6 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.464 0.198 18842 3243 1 6 . 1 1 7 7 ALA C C 7 176.697 176.697 176.054 0.643 18842 3244 1 6 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.737 1.931 18842 3245 1 6 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.576 2.472 18842 3246 1 6 . 1 1 7 7 ALA H H 7 8.391 8.391 7.939 0.452 18842 3247 1 6 . 1 1 8 8 ILE N N 8 125.517 125.517 120.153 5.364 18842 3248 1 6 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.999 -0.012 18842 3249 1 6 . 1 1 8 8 ILE C C 8 175.327 175.327 175.095 0.232 18842 3250 1 6 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.427 -1.583 18842 3251 1 6 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.669 -1.080 18842 3252 1 6 . 1 1 8 8 ILE H H 8 9.383 9.383 8.118 1.265 18842 3253 1 6 . 1 1 9 9 PHE N N 9 128.853 128.853 126.125 2.728 18842 3254 1 6 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.600 -0.283 18842 3255 1 6 . 1 1 9 9 PHE C C 9 173.920 173.920 174.535 -0.615 18842 3256 1 6 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.397 -0.279 18842 3257 1 6 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.750 -1.925 18842 3258 1 6 . 1 1 9 9 PHE H H 9 8.467 8.467 9.206 -0.739 18842 3259 1 6 . 1 1 10 10 GLU N N 10 126.396 126.396 126.794 -0.398 18842 3260 1 6 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.583 -0.381 18842 3261 1 6 . 1 1 10 10 GLU C C 10 175.226 175.226 175.397 -0.171 18842 3262 1 6 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.026 -0.346 18842 3263 1 6 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.264 -1.569 18842 3264 1 6 . 1 1 10 10 GLU H H 10 8.769 8.769 8.927 -0.158 18842 3265 1 6 . 1 1 11 11 LYS N N 11 105.585 105.585 112.006 -6.421 18842 3266 1 6 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.945 -0.543 18842 3267 1 6 . 1 1 11 11 LYS C C 11 175.596 175.596 175.140 0.456 18842 3268 1 6 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.681 0.767 18842 3269 1 6 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.221 -1.087 18842 3270 1 6 . 1 1 11 11 LYS H H 11 7.931 7.931 8.281 -0.350 18842 3271 1 6 . 1 1 12 12 VAL N N 12 123.819 123.819 120.973 2.846 18842 3272 1 6 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.391 0.026 18842 3273 1 6 . 1 1 12 12 VAL C C 12 175.188 175.188 174.593 0.595 18842 3274 1 6 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.215 1.470 18842 3275 1 6 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.550 -0.370 18842 3276 1 6 . 1 1 12 12 VAL H H 12 7.954 7.954 7.357 0.597 18842 3277 1 6 . 1 1 13 13 SER N N 13 121.981 121.981 123.127 -1.146 18842 3278 1 6 . 1 1 13 13 SER HA H 13 4.624 4.624 4.809 -0.185 18842 3279 1 6 . 1 1 13 13 SER C C 13 175.408 175.408 174.225 1.183 18842 3280 1 6 . 1 1 13 13 SER CA C 13 59.766 59.766 58.358 1.408 18842 3281 1 6 . 1 1 13 13 SER CB C 13 63.591 63.591 63.675 -0.084 18842 3282 1 6 . 1 1 13 13 SER H H 13 8.895 8.895 8.809 0.086 18842 3283 1 6 . 1 1 14 14 GLY N N 14 113.215 113.215 113.294 -0.079 18842 3284 1 6 . 1 1 14 14 GLY C C 14 172.790 172.790 172.372 0.418 18842 3285 1 6 . 1 1 14 14 GLY CA C 14 46.537 46.537 43.906 2.631 18842 3286 1 6 . 1 1 14 14 GLY H H 14 8.287 8.287 9.450 -1.163 18842 3287 1 6 . 1 1 15 15 ILE N N 15 123.244 123.244 119.497 3.747 18842 3288 1 6 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.355 0.465 18842 3289 1 6 . 1 1 15 15 ILE C C 15 175.417 175.417 174.210 1.207 18842 3290 1 6 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.390 -0.087 18842 3291 1 6 . 1 1 15 15 ILE CB C 15 41.796 41.796 39.924 1.872 18842 3292 1 6 . 1 1 15 15 ILE H H 15 8.330 8.330 7.454 0.876 18842 3293 1 6 . 1 1 16 16 ILE N N 16 127.640 127.640 128.745 -1.105 18842 3294 1 6 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.427 0.540 18842 3295 1 6 . 1 1 16 16 ILE C C 16 173.248 173.248 173.865 -0.617 18842 3296 1 6 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.157 -0.346 18842 3297 1 6 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.390 2.333 18842 3298 1 6 . 1 1 16 16 ILE H H 16 9.438 9.438 9.243 0.195 18842 3299 1 6 . 1 1 17 17 ALA N N 17 127.760 127.760 130.924 -3.164 18842 3300 1 6 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.966 0.139 18842 3301 1 6 . 1 1 17 17 ALA C C 17 177.510 177.510 175.585 1.925 18842 3302 1 6 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.300 1.145 18842 3303 1 6 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.696 -0.535 18842 3304 1 6 . 1 1 17 17 ALA H H 17 8.968 8.968 8.811 0.157 18842 3305 1 6 . 1 1 18 18 ILE N N 18 122.269 122.269 123.588 -1.319 18842 3306 1 6 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.469 0.122 18842 3307 1 6 . 1 1 18 18 ILE C C 18 174.334 174.334 175.723 -1.389 18842 3308 1 6 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.439 0.217 18842 3309 1 6 . 1 1 18 18 ILE CB C 18 39.064 39.064 37.936 1.128 18842 3310 1 6 . 1 1 18 18 ILE H H 18 8.665 8.665 8.125 0.540 18842 3311 1 6 . 1 1 19 19 ASN N N 19 127.568 127.568 127.900 -0.332 18842 3312 1 6 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.707 0.373 18842 3313 1 6 . 1 1 19 19 ASN C C 19 174.784 174.784 175.571 -0.787 18842 3314 1 6 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.249 -1.611 18842 3315 1 6 . 1 1 19 19 ASN CB C 19 39.591 39.591 39.062 0.529 18842 3316 1 6 . 1 1 19 19 ASN H H 19 9.378 9.378 8.615 0.763 18842 3317 1 6 . 1 1 20 20 GLU N N 20 121.587 121.587 124.594 -3.007 18842 3318 1 6 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.273 0.430 18842 3319 1 6 . 1 1 20 20 GLU C C 20 176.152 176.152 176.165 -0.013 18842 3320 1 6 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.134 -1.243 18842 3321 1 6 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.411 1.456 18842 3322 1 6 . 1 1 20 20 GLU H H 20 9.046 9.046 8.613 0.433 18842 3323 1 6 . 1 1 21 21 ASP N N 21 121.077 121.077 118.574 2.503 18842 3324 1 6 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.661 -0.042 18842 3325 1 6 . 1 1 21 21 ASP C C 21 175.688 175.688 177.180 -1.492 18842 3326 1 6 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.870 0.642 18842 3327 1 6 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.591 -1.115 18842 3328 1 6 . 1 1 21 21 ASP H H 21 8.724 8.724 8.068 0.656 18842 3329 1 6 . 1 1 22 22 VAL N N 22 113.035 113.035 114.790 -1.755 18842 3330 1 6 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.319 -0.001 18842 3331 1 6 . 1 1 22 22 VAL C C 22 173.445 173.445 176.180 -2.735 18842 3332 1 6 . 1 1 22 22 VAL CA C 22 59.049 59.049 61.722 -2.673 18842 3333 1 6 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.672 1.350 18842 3334 1 6 . 1 1 22 22 VAL H H 22 6.844 6.844 7.274 -0.430 18842 3335 1 6 . 1 1 23 23 SER N N 23 114.945 114.945 114.609 0.336 18842 3336 1 6 . 1 1 23 23 SER HA H 23 4.735 4.735 4.727 0.008 18842 3337 1 6 . 1 1 23 23 SER CA C 23 53.765 53.765 59.990 -6.225 18842 3338 1 6 . 1 1 23 23 SER CB C 23 64.743 64.743 62.656 2.087 18842 3339 1 6 . 1 1 23 23 SER H H 23 8.046 8.046 8.558 -0.512 18842 3340 1 6 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.782 -0.014 18842 3341 1 6 . 1 1 24 24 PRO C C 24 174.807 174.807 175.335 -0.528 18842 3342 1 6 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.866 -0.106 18842 3343 1 6 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.854 2.888 18842 3344 1 6 . 1 1 25 25 ALA N N 25 120.415 120.415 118.248 2.167 18842 3345 1 6 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.199 0.316 18842 3346 1 6 . 1 1 25 25 ALA C C 25 175.790 175.790 176.450 -0.660 18842 3347 1 6 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.667 -0.134 18842 3348 1 6 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.541 2.041 18842 3349 1 6 . 1 1 25 25 ALA H H 25 7.979 7.979 8.018 -0.039 18842 3350 1 6 . 1 1 26 26 GLU N N 26 115.395 115.395 122.154 -6.759 18842 3351 1 6 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.051 -0.012 18842 3352 1 6 . 1 1 26 26 GLU C C 26 174.619 174.619 174.850 -0.231 18842 3353 1 6 . 1 1 26 26 GLU CA C 26 54.029 54.029 53.784 0.245 18842 3354 1 6 . 1 1 26 26 GLU CB C 26 34.616 34.616 32.922 1.694 18842 3355 1 6 . 1 1 26 26 GLU H H 26 7.851 7.851 8.341 -0.490 18842 3356 1 6 . 1 1 27 27 LEU N N 27 124.661 124.661 122.160 2.501 18842 3357 1 6 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.884 0.142 18842 3358 1 6 . 1 1 27 27 LEU C C 27 174.740 174.740 174.961 -0.221 18842 3359 1 6 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.198 -0.417 18842 3360 1 6 . 1 1 27 27 LEU CB C 27 45.609 45.609 45.073 0.536 18842 3361 1 6 . 1 1 27 27 LEU H H 27 8.898 8.898 9.282 -0.384 18842 3362 1 6 . 1 1 28 28 THR N N 28 121.731 121.731 123.922 -2.191 18842 3363 1 6 . 1 1 28 28 THR HA H 28 5.207 5.207 5.101 0.106 18842 3364 1 6 . 1 1 28 28 THR C C 28 172.661 172.661 173.423 -0.762 18842 3365 1 6 . 1 1 28 28 THR CA C 28 61.178 61.178 61.910 -0.732 18842 3366 1 6 . 1 1 28 28 THR CB C 28 71.422 71.422 69.747 1.675 18842 3367 1 6 . 1 1 28 28 THR H H 28 9.283 9.283 9.177 0.106 18842 3368 1 6 . 1 1 29 29 TRP N N 29 128.950 128.950 131.411 -2.461 18842 3369 1 6 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.132 0.299 18842 3370 1 6 . 1 1 29 29 TRP C C 29 173.939 173.939 174.558 -0.619 18842 3371 1 6 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.138 -0.356 18842 3372 1 6 . 1 1 29 29 TRP CB C 29 32.177 32.177 31.185 0.992 18842 3373 1 6 . 1 1 29 29 TRP H H 29 9.399 9.399 9.432 -0.033 18842 3374 1 6 . 1 1 30 30 ARG N N 30 126.402 126.402 130.408 -4.006 18842 3375 1 6 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.430 0.399 18842 3376 1 6 . 1 1 30 30 ARG C C 30 174.751 174.751 175.524 -0.773 18842 3377 1 6 . 1 1 30 30 ARG CA C 30 53.389 53.389 53.473 -0.084 18842 3378 1 6 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.559 1.260 18842 3379 1 6 . 1 1 30 30 ARG H H 30 7.613 7.613 9.144 -1.531 18842 3380 1 6 . 1 1 31 31 SER N N 31 118.353 118.353 123.385 -5.032 18842 3381 1 6 . 1 1 31 31 SER HA H 31 4.138 4.138 3.671 0.467 18842 3382 1 6 . 1 1 31 31 SER C C 31 176.426 176.426 175.400 1.026 18842 3383 1 6 . 1 1 31 31 SER CA C 31 58.013 58.013 58.402 -0.389 18842 3384 1 6 . 1 1 31 31 SER CB C 31 64.081 64.081 63.223 0.858 18842 3385 1 6 . 1 1 31 31 SER H H 31 8.086 8.086 8.011 0.075 18842 3386 1 6 . 1 1 32 32 THR N N 32 119.213 119.213 113.485 5.728 18842 3387 1 6 . 1 1 32 32 THR HA H 32 3.856 3.856 4.040 -0.184 18842 3388 1 6 . 1 1 32 32 THR C C 32 175.664 175.664 175.481 0.183 18842 3389 1 6 . 1 1 32 32 THR CA C 32 66.142 66.142 64.801 1.341 18842 3390 1 6 . 1 1 32 32 THR CB C 32 68.446 68.446 68.714 -0.268 18842 3391 1 6 . 1 1 32 32 THR H H 32 8.556 8.556 8.326 0.230 18842 3392 1 6 . 1 1 33 33 ASP N N 33 117.260 117.260 120.504 -3.244 18842 3393 1 6 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.565 0.062 18842 3394 1 6 . 1 1 33 33 ASP C C 33 177.098 177.098 177.122 -0.024 18842 3395 1 6 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.712 -0.345 18842 3396 1 6 . 1 1 33 33 ASP H H 33 8.236 8.236 8.491 -0.255 18842 3397 1 6 . 1 1 34 34 GLY N N 34 109.136 109.136 108.093 1.043 18842 3398 1 6 . 1 1 34 34 GLY C C 34 173.778 173.778 174.617 -0.839 18842 3399 1 6 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.146 0.253 18842 3400 1 6 . 1 1 34 34 GLY H H 34 7.935 7.935 7.613 0.322 18842 3401 1 6 . 1 1 35 35 ASP N N 35 117.913 117.913 118.536 -0.623 18842 3402 1 6 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.560 -0.030 18842 3403 1 6 . 1 1 35 35 ASP C C 35 175.403 175.403 175.805 -0.402 18842 3404 1 6 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.674 0.137 18842 3405 1 6 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.273 -0.231 18842 3406 1 6 . 1 1 35 35 ASP H H 35 8.271 8.271 8.176 0.095 18842 3407 1 6 . 1 1 36 36 LYS N N 36 120.335 120.335 118.992 1.343 18842 3408 1 6 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.772 0.135 18842 3409 1 6 . 1 1 36 36 LYS C C 36 174.651 174.651 174.317 0.334 18842 3410 1 6 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.417 -0.010 18842 3411 1 6 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.543 0.291 18842 3412 1 6 . 1 1 36 36 LYS H H 36 7.769 7.769 7.964 -0.195 18842 3413 1 6 . 1 1 37 37 VAL N N 37 121.484 121.484 121.854 -0.370 18842 3414 1 6 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.096 0.219 18842 3415 1 6 . 1 1 37 37 VAL C C 37 175.069 175.069 175.170 -0.101 18842 3416 1 6 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.641 -0.543 18842 3417 1 6 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.591 0.467 18842 3418 1 6 . 1 1 37 37 VAL H H 37 8.582 8.582 8.546 0.036 18842 3419 1 6 . 1 1 38 38 HIS N N 38 125.660 125.660 124.213 1.447 18842 3420 1 6 . 1 1 38 38 HIS HA H 38 5.084 5.084 5.110 -0.026 18842 3421 1 6 . 1 1 38 38 HIS C C 38 173.268 173.268 173.457 -0.189 18842 3422 1 6 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.359 0.709 18842 3423 1 6 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.253 -0.165 18842 3424 1 6 . 1 1 38 38 HIS H H 38 9.621 9.621 9.063 0.558 18842 3425 1 6 . 1 1 39 39 THR N N 39 124.752 124.752 120.153 4.599 18842 3426 1 6 . 1 1 39 39 THR HA H 39 5.139 5.139 4.882 0.257 18842 3427 1 6 . 1 1 39 39 THR C C 39 173.208 173.208 173.137 0.071 18842 3428 1 6 . 1 1 39 39 THR CA C 39 61.518 61.518 61.441 0.077 18842 3429 1 6 . 1 1 39 39 THR CB C 39 70.665 70.665 70.769 -0.104 18842 3430 1 6 . 1 1 39 39 THR H H 39 8.527 8.527 7.960 0.567 18842 3431 1 6 . 1 1 40 40 VAL N N 40 126.002 126.002 125.218 0.784 18842 3432 1 6 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.247 -0.323 18842 3433 1 6 . 1 1 40 40 VAL C C 40 174.731 174.731 173.733 0.998 18842 3434 1 6 . 1 1 40 40 VAL CA C 40 60.350 60.350 61.032 -0.682 18842 3435 1 6 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.261 -1.896 18842 3436 1 6 . 1 1 40 40 VAL H H 40 9.388 9.388 9.010 0.378 18842 3437 1 6 . 1 1 41 41 VAL N N 41 129.872 129.872 127.973 1.899 18842 3438 1 6 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.270 -0.286 18842 3439 1 6 . 1 1 41 41 VAL C C 41 179.410 179.410 176.446 2.964 18842 3440 1 6 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.855 1.760 18842 3441 1 6 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.866 -0.878 18842 3442 1 6 . 1 1 41 41 VAL H H 41 9.054 9.054 8.685 0.369 18842 3443 1 6 . 1 1 42 42 LEU N N 42 130.076 130.076 128.476 1.600 18842 3444 1 6 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.227 -0.273 18842 3445 1 6 . 1 1 42 42 LEU C C 42 176.121 176.121 178.399 -2.278 18842 3446 1 6 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.566 2.056 18842 3447 1 6 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.658 0.165 18842 3448 1 6 . 1 1 42 42 LEU H H 42 9.193 9.193 8.167 1.026 18842 3449 1 6 . 1 1 43 43 SER N N 43 109.703 109.703 111.894 -2.191 18842 3450 1 6 . 1 1 43 43 SER HA H 43 3.944 3.944 3.087 0.857 18842 3451 1 6 . 1 1 43 43 SER C C 43 175.455 175.455 175.453 0.002 18842 3452 1 6 . 1 1 43 43 SER CA C 43 59.442 59.442 60.500 -1.058 18842 3453 1 6 . 1 1 43 43 SER CB C 43 61.299 61.299 62.932 -1.633 18842 3454 1 6 . 1 1 43 43 SER H H 43 6.961 6.961 8.384 -1.423 18842 3455 1 6 . 1 1 44 44 THR N N 44 110.409 110.409 112.744 -2.335 18842 3456 1 6 . 1 1 44 44 THR HA H 44 4.519 4.519 4.140 0.379 18842 3457 1 6 . 1 1 44 44 THR C C 44 173.493 173.493 175.468 -1.975 18842 3458 1 6 . 1 1 44 44 THR CA C 44 62.076 62.076 63.461 -1.385 18842 3459 1 6 . 1 1 44 44 THR CB C 44 69.788 69.788 69.504 0.284 18842 3460 1 6 . 1 1 44 44 THR H H 44 7.657 7.657 7.524 0.133 18842 3461 1 6 . 1 1 45 45 ILE N N 45 120.972 120.972 124.781 -3.809 18842 3462 1 6 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.023 0.302 18842 3463 1 6 . 1 1 45 45 ILE C C 45 173.882 173.882 175.585 -1.703 18842 3464 1 6 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.897 -3.857 18842 3465 1 6 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.367 1.133 18842 3466 1 6 . 1 1 45 45 ILE H H 45 7.089 7.089 7.473 -0.384 18842 3467 1 6 . 1 1 46 46 ASP N N 46 126.759 126.759 127.651 -0.892 18842 3468 1 6 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.476 0.186 18842 3469 1 6 . 1 1 46 46 ASP C C 46 175.424 175.424 175.618 -0.194 18842 3470 1 6 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.052 -1.035 18842 3471 1 6 . 1 1 46 46 ASP CB C 46 44.583 44.583 42.161 2.422 18842 3472 1 6 . 1 1 46 46 ASP H H 46 9.372 9.372 8.516 0.856 18842 3473 1 6 . 1 1 47 47 LYS N N 47 111.663 111.663 115.835 -4.172 18842 3474 1 6 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.600 0.153 18842 3475 1 6 . 1 1 47 47 LYS C C 47 172.574 172.574 173.971 -1.397 18842 3476 1 6 . 1 1 47 47 LYS CA C 47 54.615 54.615 54.984 -0.369 18842 3477 1 6 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.787 0.409 18842 3478 1 6 . 1 1 47 47 LYS H H 47 7.522 7.522 7.533 -0.011 18842 3479 1 6 . 1 1 48 48 LEU N N 48 123.295 123.295 121.523 1.772 18842 3480 1 6 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.718 0.425 18842 3481 1 6 . 1 1 48 48 LEU C C 48 174.770 174.770 175.552 -0.782 18842 3482 1 6 . 1 1 48 48 LEU CA C 48 52.936 52.936 54.014 -1.078 18842 3483 1 6 . 1 1 48 48 LEU CB C 48 45.580 45.580 45.296 0.284 18842 3484 1 6 . 1 1 48 48 LEU H H 48 8.938 8.938 8.444 0.494 18842 3485 1 6 . 1 1 49 49 GLN N N 49 120.979 120.979 120.297 0.682 18842 3486 1 6 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.637 0.875 18842 3487 1 6 . 1 1 49 49 GLN C C 49 174.626 174.626 173.893 0.733 18842 3488 1 6 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.762 -1.131 18842 3489 1 6 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.106 0.983 18842 3490 1 6 . 1 1 49 49 GLN H H 49 9.246 9.246 8.614 0.632 18842 3491 1 6 . 1 1 50 50 ALA N N 50 122.440 122.440 125.595 -3.155 18842 3492 1 6 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.429 1.379 18842 3493 1 6 . 1 1 50 50 ALA C C 50 177.277 177.277 176.177 1.100 18842 3494 1 6 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.640 -1.019 18842 3495 1 6 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.757 2.766 18842 3496 1 6 . 1 1 50 50 ALA H H 50 9.365 9.365 8.272 1.093 18842 3497 1 6 . 1 1 51 51 THR N N 51 114.289 114.289 117.025 -2.736 18842 3498 1 6 . 1 1 51 51 THR HA H 51 4.615 4.615 4.625 -0.010 18842 3499 1 6 . 1 1 51 51 THR CA C 51 59.197 59.197 59.786 -0.589 18842 3500 1 6 . 1 1 51 51 THR CB C 51 67.937 67.937 68.462 -0.525 18842 3501 1 6 . 1 1 51 51 THR H H 51 8.368 8.368 8.104 0.264 18842 3502 1 6 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.262 0.269 18842 3503 1 6 . 1 1 52 52 PRO C C 52 178.380 178.380 178.414 -0.034 18842 3504 1 6 . 1 1 52 52 PRO CA C 52 62.375 62.375 63.018 -0.643 18842 3505 1 6 . 1 1 52 52 PRO CB C 52 32.640 32.640 31.996 0.644 18842 3506 1 6 . 1 1 53 53 ALA N N 53 126.235 126.235 122.688 3.547 18842 3507 1 6 . 1 1 53 53 ALA HA H 53 4.030 4.030 3.975 0.055 18842 3508 1 6 . 1 1 53 53 ALA C C 53 177.700 177.700 178.647 -0.947 18842 3509 1 6 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.292 0.503 18842 3510 1 6 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.399 -0.380 18842 3511 1 6 . 1 1 53 53 ALA H H 53 9.122 9.122 8.650 0.472 18842 3512 1 6 . 1 1 54 54 SER N N 54 107.216 107.216 111.875 -4.659 18842 3513 1 6 . 1 1 54 54 SER HA H 54 4.238 4.238 4.302 -0.064 18842 3514 1 6 . 1 1 54 54 SER C C 54 174.957 174.957 174.393 0.564 18842 3515 1 6 . 1 1 54 54 SER CA C 54 58.260 58.260 59.841 -1.581 18842 3516 1 6 . 1 1 54 54 SER CB C 54 63.120 63.120 63.363 -0.243 18842 3517 1 6 . 1 1 54 54 SER H H 54 7.620 7.620 7.976 -0.356 18842 3518 1 6 . 1 1 55 55 SER N N 55 117.523 117.523 116.745 0.778 18842 3519 1 6 . 1 1 55 55 SER HA H 55 4.469 4.469 4.474 -0.005 18842 3520 1 6 . 1 1 55 55 SER C C 55 174.952 174.952 174.597 0.355 18842 3521 1 6 . 1 1 55 55 SER CA C 55 57.500 57.500 58.264 -0.764 18842 3522 1 6 . 1 1 55 55 SER CB C 55 63.801 63.801 63.844 -0.043 18842 3523 1 6 . 1 1 55 55 SER H H 55 7.676 7.676 7.840 -0.164 18842 3524 1 6 . 1 1 56 56 GLU N N 56 124.557 124.557 127.153 -2.596 18842 3525 1 6 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.092 0.087 18842 3526 1 6 . 1 1 56 56 GLU C C 56 177.924 177.924 176.853 1.071 18842 3527 1 6 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.658 -0.997 18842 3528 1 6 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.927 -0.098 18842 3529 1 6 . 1 1 56 56 GLU H H 56 8.844 8.844 8.813 0.031 18842 3530 1 6 . 1 1 57 57 LYS N N 57 119.220 119.220 119.374 -0.154 18842 3531 1 6 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.520 -0.224 18842 3532 1 6 . 1 1 57 57 LYS C C 57 175.667 175.667 175.451 0.216 18842 3533 1 6 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.273 0.582 18842 3534 1 6 . 1 1 57 57 LYS CB C 57 33.855 33.855 33.093 0.762 18842 3535 1 6 . 1 1 57 57 LYS H H 57 8.259 8.259 7.697 0.562 18842 3536 1 6 . 1 1 58 58 MET N N 58 123.270 123.270 125.488 -2.218 18842 3537 1 6 . 1 1 58 58 MET HA H 58 4.288 4.288 4.675 -0.387 18842 3538 1 6 . 1 1 58 58 MET C C 58 174.107 174.107 175.626 -1.519 18842 3539 1 6 . 1 1 58 58 MET CA C 58 55.067 55.067 55.181 -0.114 18842 3540 1 6 . 1 1 58 58 MET CB C 58 35.381 35.381 32.283 3.098 18842 3541 1 6 . 1 1 58 58 MET H H 58 8.811 8.811 8.980 -0.169 18842 3542 1 6 . 1 1 59 59 MET N N 59 120.490 120.490 122.188 -1.698 18842 3543 1 6 . 1 1 59 59 MET HA H 59 5.873 5.873 5.142 0.731 18842 3544 1 6 . 1 1 59 59 MET C C 59 174.459 174.459 174.209 0.250 18842 3545 1 6 . 1 1 59 59 MET CA C 59 54.903 54.903 55.215 -0.312 18842 3546 1 6 . 1 1 59 59 MET CB C 59 39.231 39.231 37.347 1.884 18842 3547 1 6 . 1 1 59 59 MET H H 59 8.395 8.395 9.222 -0.827 18842 3548 1 6 . 1 1 60 60 LEU N N 60 118.105 118.105 121.930 -3.825 18842 3549 1 6 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.859 0.805 18842 3550 1 6 . 1 1 60 60 LEU C C 60 175.664 175.664 175.333 0.331 18842 3551 1 6 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.395 -0.267 18842 3552 1 6 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.703 2.732 18842 3553 1 6 . 1 1 60 60 LEU H H 60 9.103 9.103 9.252 -0.149 18842 3554 1 6 . 1 1 61 61 ARG N N 61 120.757 120.757 117.976 2.781 18842 3555 1 6 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.496 -0.038 18842 3556 1 6 . 1 1 61 61 ARG C C 61 173.515 173.515 174.307 -0.792 18842 3557 1 6 . 1 1 61 61 ARG CA C 61 54.724 54.724 55.072 -0.348 18842 3558 1 6 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.609 0.523 18842 3559 1 6 . 1 1 61 61 ARG H H 61 9.287 9.287 7.941 1.346 18842 3560 1 6 . 1 1 62 62 LEU N N 62 127.139 127.139 122.536 4.603 18842 3561 1 6 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.869 0.160 18842 3562 1 6 . 1 1 62 62 LEU C C 62 175.440 175.440 175.632 -0.192 18842 3563 1 6 . 1 1 62 62 LEU CA C 62 54.400 54.400 54.340 0.060 18842 3564 1 6 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.924 -2.821 18842 3565 1 6 . 1 1 62 62 LEU H H 62 9.307 9.307 8.238 1.069 18842 3566 1 6 . 1 1 63 63 ILE N N 63 123.292 123.292 124.315 -1.023 18842 3567 1 6 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.862 -0.274 18842 3568 1 6 . 1 1 63 63 ILE C C 63 176.319 176.319 177.024 -0.705 18842 3569 1 6 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.321 1.067 18842 3570 1 6 . 1 1 63 63 ILE CB C 63 38.121 38.121 37.632 0.489 18842 3571 1 6 . 1 1 63 63 ILE H H 63 8.891 8.891 8.334 0.557 18842 3572 1 6 . 1 1 64 64 GLY N N 64 115.565 115.565 114.461 1.104 18842 3573 1 6 . 1 1 64 64 GLY C C 64 172.551 172.551 173.028 -0.477 18842 3574 1 6 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.432 1.997 18842 3575 1 6 . 1 1 64 64 GLY H H 64 9.356 9.356 8.206 1.150 18842 3576 1 6 . 1 1 65 65 LYS N N 65 119.442 119.442 119.335 0.107 18842 3577 1 6 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.349 -0.054 18842 3578 1 6 . 1 1 65 65 LYS C C 65 176.205 176.205 176.321 -0.116 18842 3579 1 6 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.416 0.173 18842 3580 1 6 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.737 1.616 18842 3581 1 6 . 1 1 65 65 LYS H H 65 8.361 8.361 8.317 0.044 18842 3582 1 6 . 1 1 66 66 VAL N N 66 122.131 122.131 126.260 -4.129 18842 3583 1 6 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.260 -0.174 18842 3584 1 6 . 1 1 66 66 VAL C C 66 175.265 175.265 174.960 0.305 18842 3585 1 6 . 1 1 66 66 VAL CA C 66 62.063 62.063 60.752 1.312 18842 3586 1 6 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.481 -0.217 18842 3587 1 6 . 1 1 66 66 VAL H H 66 8.637 8.637 8.314 0.323 18842 3588 1 6 . 1 1 67 67 ASP N N 67 125.510 125.510 118.104 7.406 18842 3589 1 6 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.662 0.065 18842 3590 1 6 . 1 1 67 67 ASP C C 67 176.708 176.708 174.622 2.086 18842 3591 1 6 . 1 1 67 67 ASP CA C 67 53.140 53.140 55.020 -1.880 18842 3592 1 6 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.868 -0.938 18842 3593 1 6 . 1 1 67 67 ASP H H 67 8.460 8.460 8.250 0.210 18842 3594 1 6 . 1 1 68 68 GLU N N 68 124.449 124.449 125.016 -0.567 18842 3595 1 6 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.530 -0.442 18842 3596 1 6 . 1 1 68 68 GLU C C 68 177.451 177.451 176.099 1.352 18842 3597 1 6 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.251 1.605 18842 3598 1 6 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.664 0.013 18842 3599 1 6 . 1 1 68 68 GLU H H 68 8.752 8.752 8.501 0.251 18842 3600 1 6 . 1 1 69 69 SER N N 69 115.515 115.515 113.714 1.801 18842 3601 1 6 . 1 1 69 69 SER HA H 69 4.329 4.329 4.642 -0.313 18842 3602 1 6 . 1 1 69 69 SER C C 69 175.277 175.277 173.864 1.413 18842 3603 1 6 . 1 1 69 69 SER CA C 69 60.139 60.139 58.783 1.356 18842 3604 1 6 . 1 1 69 69 SER CB C 69 63.223 63.223 62.699 0.524 18842 3605 1 6 . 1 1 69 69 SER H H 69 8.497 8.497 8.109 0.388 18842 3606 1 6 . 1 1 70 70 LYS N N 70 121.733 121.733 120.554 1.179 18842 3607 1 6 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.460 -0.050 18842 3608 1 6 . 1 1 70 70 LYS C C 70 177.124 177.124 175.829 1.295 18842 3609 1 6 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.062 -0.738 18842 3610 1 6 . 1 1 70 70 LYS H H 70 7.689 7.689 8.005 -0.316 18842 3611 1 6 . 1 1 71 71 LYS N N 71 121.012 121.012 118.432 2.580 18842 3612 1 6 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.944 0.463 18842 3613 1 6 . 1 1 71 71 LYS C C 71 176.175 176.175 175.566 0.609 18842 3614 1 6 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.570 -0.958 18842 3615 1 6 . 1 1 71 71 LYS H H 71 7.750 7.750 8.357 -0.607 18842 3616 1 6 . 1 1 72 72 ARG N N 72 122.064 122.064 120.650 1.414 18842 3617 1 6 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.720 -0.119 18842 3618 1 6 . 1 1 72 72 ARG C C 72 175.228 175.228 174.077 1.151 18842 3619 1 6 . 1 1 72 72 ARG CA C 72 54.929 54.929 54.564 0.365 18842 3620 1 6 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.020 0.305 18842 3621 1 6 . 1 1 72 72 ARG H H 72 8.420 8.420 8.459 -0.039 18842 3622 1 6 . 1 1 73 73 LYS N N 73 121.217 121.217 118.433 2.784 18842 3623 1 6 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.865 0.068 18842 3624 1 6 . 1 1 73 73 LYS C C 73 177.010 177.010 176.472 0.538 18842 3625 1 6 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.403 -0.198 18842 3626 1 6 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.362 1.318 18842 3627 1 6 . 1 1 73 73 LYS H H 73 8.401 8.401 8.301 0.100 18842 3628 1 6 . 1 1 74 74 ASP N N 74 122.025 122.025 120.099 1.926 18842 3629 1 6 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.734 -0.024 18842 3630 1 6 . 1 1 74 74 ASP C C 74 177.475 177.475 176.227 1.248 18842 3631 1 6 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.074 -0.318 18842 3632 1 6 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.386 -0.364 18842 3633 1 6 . 1 1 74 74 ASP H H 74 8.582 8.582 8.515 0.067 18842 3634 1 6 . 1 1 75 75 ASN N N 75 116.228 116.228 115.926 0.302 18842 3635 1 6 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.426 0.110 18842 3636 1 6 . 1 1 75 75 ASN C C 75 175.999 175.999 175.075 0.924 18842 3637 1 6 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.608 0.245 18842 3638 1 6 . 1 1 75 75 ASN CB C 75 38.132 38.132 38.253 -0.121 18842 3639 1 6 . 1 1 75 75 ASN H H 75 8.433 8.433 8.574 -0.141 18842 3640 1 6 . 1 1 76 76 GLU N N 76 118.958 118.958 116.010 2.948 18842 3641 1 6 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.534 -0.153 18842 3642 1 6 . 1 1 76 76 GLU C C 76 176.556 176.556 176.543 0.013 18842 3643 1 6 . 1 1 76 76 GLU CA C 76 56.163 56.163 57.393 -1.230 18842 3644 1 6 . 1 1 76 76 GLU H H 76 8.162 8.162 8.265 -0.103 18842 3645 1 6 . 1 1 77 77 GLY N N 77 108.062 108.062 108.529 -0.467 18842 3646 1 6 . 1 1 77 77 GLY C C 77 174.247 174.247 173.048 1.199 18842 3647 1 6 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.813 0.397 18842 3648 1 6 . 1 1 77 77 GLY H H 77 8.106 8.106 8.085 0.021 18842 3649 1 6 . 1 1 78 78 ASN N N 78 119.929 119.929 117.724 2.205 18842 3650 1 6 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.900 -0.154 18842 3651 1 6 . 1 1 78 78 ASN C C 78 175.035 175.035 173.692 1.343 18842 3652 1 6 . 1 1 78 78 ASN CA C 78 52.795 52.795 51.994 0.801 18842 3653 1 6 . 1 1 78 78 ASN CB C 78 38.945 38.945 41.431 -2.486 18842 3654 1 6 . 1 1 78 78 ASN H H 78 8.569 8.569 8.160 0.409 18842 3655 1 6 . 1 1 79 79 GLU N N 79 121.658 121.658 120.316 1.342 18842 3656 1 6 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.675 -0.194 18842 3657 1 6 . 1 1 79 79 GLU C C 79 176.302 176.302 175.058 1.244 18842 3658 1 6 . 1 1 79 79 GLU CA C 79 56.662 56.662 55.444 1.218 18842 3659 1 6 . 1 1 79 79 GLU CB C 79 30.643 30.643 30.540 0.103 18842 3660 1 6 . 1 1 79 79 GLU H H 79 8.691 8.691 8.411 0.280 18842 3661 1 6 . 1 1 80 80 VAL N N 80 123.997 123.997 120.527 3.470 18842 3662 1 6 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.671 -0.416 18842 3663 1 6 . 1 1 80 80 VAL C C 80 175.544 175.544 174.109 1.435 18842 3664 1 6 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.767 1.526 18842 3665 1 6 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.027 -0.484 18842 3666 1 6 . 1 1 80 80 VAL H H 80 8.581 8.581 8.270 0.311 18842 3667 1 6 . 1 1 81 81 VAL N N 81 126.545 126.545 118.920 7.625 18842 3668 1 6 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.548 -0.122 18842 3669 1 6 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.010 0.541 18842 3670 1 6 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.577 0.317 18842 3671 1 6 . 1 1 81 81 VAL H H 81 8.407 8.407 8.286 0.121 18842 3672 1 6 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.386 0.046 18842 3673 1 6 . 1 1 82 82 PRO C C 82 176.036 176.036 175.622 0.414 18842 3674 1 6 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.096 -0.531 18842 3675 1 6 . 1 1 83 83 LYS N N 83 121.727 121.727 124.933 -3.206 18842 3676 1 6 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.524 0.027 18842 3677 1 6 . 1 1 83 83 LYS CA C 83 53.779 53.779 54.165 -0.386 18842 3678 1 6 . 1 1 83 83 LYS H H 83 8.316 8.316 8.198 0.118 18842 3679 1 6 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.472 -0.179 18842 3680 1 6 . 1 1 84 84 PRO C C 84 176.883 176.883 176.286 0.597 18842 3681 1 6 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.004 0.472 18842 3682 1 6 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.484 -0.043 18842 3683 1 6 . 1 1 85 85 GLN N N 85 121.423 121.423 118.082 3.341 18842 3684 1 6 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.325 -0.180 18842 3685 1 6 . 1 1 85 85 GLN C C 85 175.026 175.026 174.895 0.131 18842 3686 1 6 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.288 -0.247 18842 3687 1 6 . 1 1 85 85 GLN CB C 85 29.809 29.809 29.890 -0.081 18842 3688 1 6 . 1 1 85 85 GLN H H 85 8.471 8.471 8.423 0.048 18842 3689 1 6 . 1 1 86 86 ARG N N 86 120.972 120.972 120.091 0.881 18842 3690 1 6 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.809 0.378 18842 3691 1 6 . 1 1 86 86 ARG C C 86 175.091 175.091 175.030 0.061 18842 3692 1 6 . 1 1 86 86 ARG CA C 86 54.392 54.392 55.340 -0.948 18842 3693 1 6 . 1 1 86 86 ARG CB C 86 33.428 33.428 32.276 1.152 18842 3694 1 6 . 1 1 86 86 ARG H H 86 8.265 8.265 8.495 -0.230 18842 3695 1 6 . 1 1 87 87 HIS N N 87 120.390 120.390 124.552 -4.162 18842 3696 1 6 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.713 0.032 18842 3697 1 6 . 1 1 87 87 HIS C C 87 173.730 173.730 173.534 0.196 18842 3698 1 6 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.347 -0.140 18842 3699 1 6 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.106 3.491 18842 3700 1 6 . 1 1 87 87 HIS H H 87 8.590 8.590 8.094 0.496 18842 3701 1 6 . 1 1 88 88 MET N N 88 126.611 126.611 125.567 1.044 18842 3702 1 6 . 1 1 88 88 MET HA H 88 5.320 5.320 4.511 0.809 18842 3703 1 6 . 1 1 88 88 MET C C 88 173.520 173.520 174.036 -0.516 18842 3704 1 6 . 1 1 88 88 MET CA C 88 54.782 54.782 55.035 -0.252 18842 3705 1 6 . 1 1 88 88 MET CB C 88 35.451 35.451 33.097 2.354 18842 3706 1 6 . 1 1 88 88 MET H H 88 8.716 8.716 8.591 0.125 18842 3707 1 6 . 1 1 89 89 PHE N N 89 122.328 122.328 127.385 -5.057 18842 3708 1 6 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.459 -0.249 18842 3709 1 6 . 1 1 89 89 PHE C C 89 174.448 174.448 175.341 -0.893 18842 3710 1 6 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.669 0.783 18842 3711 1 6 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.822 2.265 18842 3712 1 6 . 1 1 89 89 PHE H H 89 8.989 8.989 9.202 -0.213 18842 3713 1 6 . 1 1 90 90 SER N N 90 116.094 116.094 119.937 -3.843 18842 3714 1 6 . 1 1 90 90 SER HA H 90 5.681 5.681 4.897 0.784 18842 3715 1 6 . 1 1 90 90 SER C C 90 173.094 173.094 173.850 -0.756 18842 3716 1 6 . 1 1 90 90 SER CA C 90 56.645 56.645 58.156 -1.511 18842 3717 1 6 . 1 1 90 90 SER CB C 90 64.824 64.824 63.549 1.275 18842 3718 1 6 . 1 1 90 90 SER H H 90 8.680 8.680 8.628 0.052 18842 3719 1 6 . 1 1 91 91 PHE N N 91 120.812 120.812 124.304 -3.492 18842 3720 1 6 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.700 0.194 18842 3721 1 6 . 1 1 91 91 PHE C C 91 174.500 174.500 175.808 -1.308 18842 3722 1 6 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.567 -0.165 18842 3723 1 6 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.904 2.423 18842 3724 1 6 . 1 1 91 91 PHE H H 91 9.050 9.050 8.946 0.104 18842 3725 1 6 . 1 1 92 92 ASN N N 92 115.876 115.876 117.382 -1.506 18842 3726 1 6 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.842 0.260 18842 3727 1 6 . 1 1 92 92 ASN C C 92 174.901 174.901 173.613 1.288 18842 3728 1 6 . 1 1 92 92 ASN CA C 92 52.207 52.207 52.876 -0.669 18842 3729 1 6 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.193 -0.329 18842 3730 1 6 . 1 1 92 92 ASN H H 92 9.135 9.135 9.068 0.067 18842 3731 1 6 . 1 1 93 93 ASN N N 93 118.335 118.335 117.070 1.265 18842 3732 1 6 . 1 1 93 93 ASN HA H 93 4.901 4.901 5.066 -0.165 18842 3733 1 6 . 1 1 93 93 ASN C C 93 174.579 174.579 175.112 -0.533 18842 3734 1 6 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.392 0.636 18842 3735 1 6 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.602 0.200 18842 3736 1 6 . 1 1 93 93 ASN H H 93 7.271 7.271 7.967 -0.696 18842 3737 1 6 . 1 1 94 94 ARG N N 94 129.027 129.027 122.419 6.608 18842 3738 1 6 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.383 -0.518 18842 3739 1 6 . 1 1 94 94 ARG C C 94 176.782 176.782 177.167 -0.385 18842 3740 1 6 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.699 0.352 18842 3741 1 6 . 1 1 94 94 ARG H H 94 9.334 9.334 8.817 0.517 18842 3742 1 6 . 1 1 95 95 THR N N 95 115.756 115.756 115.535 0.221 18842 3743 1 6 . 1 1 95 95 THR HA H 95 4.028 4.028 4.183 -0.155 18842 3744 1 6 . 1 1 95 95 THR C C 95 176.742 176.742 176.277 0.465 18842 3745 1 6 . 1 1 95 95 THR CA C 95 66.325 66.325 65.889 0.436 18842 3746 1 6 . 1 1 95 95 THR CB C 95 68.281 68.281 68.130 0.151 18842 3747 1 6 . 1 1 95 95 THR H H 95 8.000 8.000 8.158 -0.158 18842 3748 1 6 . 1 1 96 96 VAL N N 96 121.852 121.852 123.321 -1.469 18842 3749 1 6 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.840 -0.044 18842 3750 1 6 . 1 1 96 96 VAL C C 96 177.587 177.587 177.626 -0.039 18842 3751 1 6 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.311 -0.353 18842 3752 1 6 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.419 0.608 18842 3753 1 6 . 1 1 96 96 VAL H H 96 7.609 7.609 8.255 -0.646 18842 3754 1 6 . 1 1 97 97 MET N N 97 117.469 117.469 117.123 0.346 18842 3755 1 6 . 1 1 97 97 MET HA H 97 2.337 2.337 4.465 -2.128 18842 3756 1 6 . 1 1 97 97 MET C C 97 177.257 177.257 178.194 -0.937 18842 3757 1 6 . 1 1 97 97 MET H H 97 7.337 7.337 7.871 -0.534 18842 3758 1 6 . 1 1 98 98 ASP N N 98 118.162 118.162 121.042 -2.880 18842 3759 1 6 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.339 -0.023 18842 3760 1 6 . 1 1 98 98 ASP C C 98 178.771 178.771 178.683 0.088 18842 3761 1 6 . 1 1 98 98 ASP CA C 98 57.554 57.554 58.475 -0.921 18842 3762 1 6 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.729 -0.950 18842 3763 1 6 . 1 1 98 98 ASP H H 98 8.729 8.729 7.985 0.744 18842 3764 1 6 . 1 1 99 99 ASN N N 99 120.303 120.303 117.868 2.435 18842 3765 1 6 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.601 -0.132 18842 3766 1 6 . 1 1 99 99 ASN C C 99 178.220 178.220 177.411 0.809 18842 3767 1 6 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.742 0.353 18842 3768 1 6 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.293 0.079 18842 3769 1 6 . 1 1 99 99 ASN H H 99 8.104 8.104 8.026 0.078 18842 3770 1 6 . 1 1 100 100 ILE N N 100 121.160 121.160 122.016 -0.856 18842 3771 1 6 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.743 -0.097 18842 3772 1 6 . 1 1 100 100 ILE C C 100 177.361 177.361 177.847 -0.486 18842 3773 1 6 . 1 1 100 100 ILE CA C 100 62.746 62.746 65.065 -2.319 18842 3774 1 6 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.268 -1.566 18842 3775 1 6 . 1 1 100 100 ILE H H 100 8.020 8.020 8.727 -0.707 18842 3776 1 6 . 1 1 101 101 LYS N N 101 120.747 120.747 119.609 1.138 18842 3777 1 6 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.993 -0.309 18842 3778 1 6 . 1 1 101 101 LYS C C 101 177.127 177.127 179.240 -2.113 18842 3779 1 6 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.787 0.373 18842 3780 1 6 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.256 0.741 18842 3781 1 6 . 1 1 101 101 LYS H H 101 8.907 8.907 8.135 0.772 18842 3782 1 6 . 1 1 102 102 MET N N 102 116.126 116.126 116.189 -0.063 18842 3783 1 6 . 1 1 102 102 MET HA H 102 4.245 4.245 4.329 -0.084 18842 3784 1 6 . 1 1 102 102 MET C C 102 178.941 178.941 177.897 1.044 18842 3785 1 6 . 1 1 102 102 MET CA C 102 58.367 58.367 58.023 0.344 18842 3786 1 6 . 1 1 102 102 MET CB C 102 32.055 32.055 32.995 -0.940 18842 3787 1 6 . 1 1 102 102 MET H H 102 8.002 8.002 7.530 0.472 18842 3788 1 6 . 1 1 103 103 THR N N 103 117.988 117.988 116.062 1.926 18842 3789 1 6 . 1 1 103 103 THR HA H 103 3.861 3.861 3.997 -0.136 18842 3790 1 6 . 1 1 103 103 THR C C 103 176.493 176.493 176.576 -0.083 18842 3791 1 6 . 1 1 103 103 THR CA C 103 66.168 66.168 66.205 -0.037 18842 3792 1 6 . 1 1 103 103 THR CB C 103 67.923 67.923 68.978 -1.055 18842 3793 1 6 . 1 1 103 103 THR H H 103 7.694 7.694 7.901 -0.207 18842 3794 1 6 . 1 1 104 104 LEU N N 104 119.248 119.248 122.447 -3.199 18842 3795 1 6 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.898 -0.018 18842 3796 1 6 . 1 1 104 104 LEU C C 104 178.072 178.072 178.262 -0.190 18842 3797 1 6 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.756 -0.710 18842 3798 1 6 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.329 1.565 18842 3799 1 6 . 1 1 104 104 LEU H H 104 8.530 8.530 8.716 -0.186 18842 3800 1 6 . 1 1 105 105 GLN N N 105 119.071 119.071 117.159 1.912 18842 3801 1 6 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.870 0.098 18842 3802 1 6 . 1 1 105 105 GLN C C 105 178.675 178.675 178.215 0.460 18842 3803 1 6 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.973 0.100 18842 3804 1 6 . 1 1 105 105 GLN CB C 105 27.968 27.968 28.338 -0.370 18842 3805 1 6 . 1 1 105 105 GLN H H 105 8.623 8.623 7.780 0.843 18842 3806 1 6 . 1 1 106 106 GLN N N 106 117.946 117.946 117.579 0.367 18842 3807 1 6 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.043 -0.004 18842 3808 1 6 . 1 1 106 106 GLN C C 106 178.677 178.677 178.410 0.267 18842 3809 1 6 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.167 0.548 18842 3810 1 6 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.255 0.209 18842 3811 1 6 . 1 1 106 106 GLN H H 106 7.581 7.581 7.792 -0.211 18842 3812 1 6 . 1 1 107 107 ILE N N 107 120.013 120.013 118.859 1.154 18842 3813 1 6 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.708 -0.243 18842 3814 1 6 . 1 1 107 107 ILE C C 107 177.586 177.586 177.369 0.217 18842 3815 1 6 . 1 1 107 107 ILE CA C 107 65.482 65.482 63.789 1.693 18842 3816 1 6 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.009 1.130 18842 3817 1 6 . 1 1 107 107 ILE H H 107 7.801 7.801 7.875 -0.074 18842 3818 1 6 . 1 1 108 108 ILE N N 108 117.686 117.686 121.374 -3.688 18842 3819 1 6 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.568 0.216 18842 3820 1 6 . 1 1 108 108 ILE C C 108 179.171 179.171 178.540 0.631 18842 3821 1 6 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.554 2.049 18842 3822 1 6 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.638 1.603 18842 3823 1 6 . 1 1 108 108 ILE H H 108 8.734 8.734 7.819 0.915 18842 3824 1 6 . 1 1 109 109 SER N N 109 114.198 114.198 114.514 -0.316 18842 3825 1 6 . 1 1 109 109 SER HA H 109 4.214 4.214 4.058 0.156 18842 3826 1 6 . 1 1 109 109 SER C C 109 176.381 176.381 175.909 0.472 18842 3827 1 6 . 1 1 109 109 SER CA C 109 61.564 61.564 61.964 -0.400 18842 3828 1 6 . 1 1 109 109 SER CB C 109 62.831 62.831 62.806 0.025 18842 3829 1 6 . 1 1 109 109 SER H H 109 7.881 7.881 8.218 -0.337 18842 3830 1 6 . 1 1 110 110 ARG N N 110 121.010 121.010 120.719 0.291 18842 3831 1 6 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.902 0.235 18842 3832 1 6 . 1 1 110 110 ARG C C 110 178.636 178.636 178.952 -0.316 18842 3833 1 6 . 1 1 110 110 ARG CA C 110 58.376 58.376 59.075 -0.699 18842 3834 1 6 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.857 -0.007 18842 3835 1 6 . 1 1 110 110 ARG H H 110 7.550 7.550 7.108 0.442 18842 3836 1 6 . 1 1 111 111 TYR N N 111 117.243 117.243 116.931 0.312 18842 3837 1 6 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.469 0.326 18842 3838 1 6 . 1 1 111 111 TYR C C 111 176.218 176.218 177.754 -1.536 18842 3839 1 6 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.261 -0.687 18842 3840 1 6 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.010 0.482 18842 3841 1 6 . 1 1 111 111 TYR H H 111 7.496 7.496 7.591 -0.095 18842 3842 1 6 . 1 1 112 112 LYS N N 112 121.040 121.040 121.356 -0.316 18842 3843 1 6 . 1 1 112 112 LYS HA H 112 4.334 4.334 3.972 0.362 18842 3844 1 6 . 1 1 112 112 LYS C C 112 177.437 177.437 178.242 -0.805 18842 3845 1 6 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.586 -1.956 18842 3846 1 6 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.229 0.361 18842 3847 1 6 . 1 1 112 112 LYS H H 112 7.755 7.755 7.387 0.368 18842 3848 1 6 . 1 1 113 113 ASP N N 113 120.593 120.593 117.586 3.007 18842 3849 1 6 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.457 0.180 18842 3850 1 6 . 1 1 113 113 ASP C C 113 176.587 176.587 177.663 -1.076 18842 3851 1 6 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.979 0.114 18842 3852 1 6 . 1 1 113 113 ASP H H 113 8.246 8.246 7.890 0.356 18842 3853 1 6 . 1 1 114 114 ALA N N 114 123.721 123.721 121.712 2.009 18842 3854 1 6 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.185 0.164 18842 3855 1 6 . 1 1 114 114 ALA C C 114 178.004 178.004 178.557 -0.553 18842 3856 1 6 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.318 -0.432 18842 3857 1 6 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.306 -0.041 18842 3858 1 6 . 1 1 114 114 ALA H H 114 8.038 8.038 7.493 0.545 18842 3859 1 7 . 1 1 2 2 SER N N 2 113.417 113.417 117.289 -3.872 18842 3860 1 7 . 1 1 2 2 SER HA H 2 4.355 4.355 4.596 -0.241 18842 3861 1 7 . 1 1 2 2 SER CA C 2 58.647 58.647 58.861 -0.214 18842 3862 1 7 . 1 1 2 2 SER CB C 2 63.504 63.504 63.248 0.256 18842 3863 1 7 . 1 1 2 2 SER H H 2 8.096 8.096 8.805 -0.709 18842 3864 1 7 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.196 0.481 18842 3865 1 7 . 1 1 3 3 HIS C C 3 173.601 173.601 173.021 0.580 18842 3866 1 7 . 1 1 3 3 HIS CA C 3 56.229 56.229 57.463 -1.234 18842 3867 1 7 . 1 1 3 3 HIS CB C 3 31.323 31.323 27.838 3.485 18842 3868 1 7 . 1 1 4 4 SER N N 4 113.555 113.555 109.897 3.658 18842 3869 1 7 . 1 1 4 4 SER HA H 4 5.483 5.483 5.012 0.471 18842 3870 1 7 . 1 1 4 4 SER C C 4 173.624 173.624 172.892 0.732 18842 3871 1 7 . 1 1 4 4 SER CA C 4 56.904 56.904 58.028 -1.124 18842 3872 1 7 . 1 1 4 4 SER CB C 4 65.900 65.900 66.216 -0.316 18842 3873 1 7 . 1 1 4 4 SER H H 4 7.865 7.865 7.520 0.345 18842 3874 1 7 . 1 1 5 5 GLY N N 5 107.050 107.050 106.493 0.557 18842 3875 1 7 . 1 1 5 5 GLY C C 5 170.915 170.915 171.921 -1.006 18842 3876 1 7 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.777 0.640 18842 3877 1 7 . 1 1 5 5 GLY H H 5 8.370 8.370 8.826 -0.456 18842 3878 1 7 . 1 1 6 6 ALA N N 6 125.347 125.347 123.401 1.946 18842 3879 1 7 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.638 0.315 18842 3880 1 7 . 1 1 6 6 ALA C C 6 176.816 176.816 176.145 0.671 18842 3881 1 7 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.233 0.372 18842 3882 1 7 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.006 0.367 18842 3883 1 7 . 1 1 6 6 ALA H H 6 8.671 8.671 8.474 0.197 18842 3884 1 7 . 1 1 7 7 ALA N N 7 120.077 120.077 126.460 -6.383 18842 3885 1 7 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.490 0.172 18842 3886 1 7 . 1 1 7 7 ALA C C 7 176.697 176.697 175.923 0.774 18842 3887 1 7 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.581 2.087 18842 3888 1 7 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.552 2.496 18842 3889 1 7 . 1 1 7 7 ALA H H 7 8.391 8.391 7.960 0.431 18842 3890 1 7 . 1 1 8 8 ILE N N 8 125.517 125.517 117.831 7.686 18842 3891 1 7 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.183 -0.196 18842 3892 1 7 . 1 1 8 8 ILE C C 8 175.327 175.327 174.864 0.463 18842 3893 1 7 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.125 -0.281 18842 3894 1 7 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.880 -1.291 18842 3895 1 7 . 1 1 8 8 ILE H H 8 9.383 9.383 8.576 0.807 18842 3896 1 7 . 1 1 9 9 PHE N N 9 128.853 128.853 124.990 3.863 18842 3897 1 7 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.746 -0.429 18842 3898 1 7 . 1 1 9 9 PHE C C 9 173.920 173.920 174.462 -0.542 18842 3899 1 7 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.624 -0.506 18842 3900 1 7 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.784 -2.959 18842 3901 1 7 . 1 1 9 9 PHE H H 9 8.467 8.467 9.294 -0.827 18842 3902 1 7 . 1 1 10 10 GLU N N 10 126.396 126.396 125.368 1.028 18842 3903 1 7 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.566 -0.364 18842 3904 1 7 . 1 1 10 10 GLU C C 10 175.226 175.226 175.711 -0.485 18842 3905 1 7 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.699 -1.019 18842 3906 1 7 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.967 -1.272 18842 3907 1 7 . 1 1 10 10 GLU H H 10 8.769 8.769 8.725 0.044 18842 3908 1 7 . 1 1 11 11 LYS N N 11 105.585 105.585 111.748 -6.163 18842 3909 1 7 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.947 -0.545 18842 3910 1 7 . 1 1 11 11 LYS C C 11 175.596 175.596 175.250 0.346 18842 3911 1 7 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.510 0.938 18842 3912 1 7 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.526 -1.391 18842 3913 1 7 . 1 1 11 11 LYS H H 11 7.931 7.931 8.247 -0.316 18842 3914 1 7 . 1 1 12 12 VAL N N 12 123.819 123.819 121.708 2.111 18842 3915 1 7 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.437 -0.020 18842 3916 1 7 . 1 1 12 12 VAL C C 12 175.188 175.188 174.502 0.686 18842 3917 1 7 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.360 1.325 18842 3918 1 7 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.270 -0.091 18842 3919 1 7 . 1 1 12 12 VAL H H 12 7.954 7.954 8.058 -0.104 18842 3920 1 7 . 1 1 13 13 SER N N 13 121.981 121.981 123.529 -1.548 18842 3921 1 7 . 1 1 13 13 SER HA H 13 4.624 4.624 4.959 -0.335 18842 3922 1 7 . 1 1 13 13 SER C C 13 175.408 175.408 174.323 1.085 18842 3923 1 7 . 1 1 13 13 SER CA C 13 59.766 59.766 57.800 1.966 18842 3924 1 7 . 1 1 13 13 SER CB C 13 63.591 63.591 64.130 -0.539 18842 3925 1 7 . 1 1 13 13 SER H H 13 8.895 8.895 8.742 0.153 18842 3926 1 7 . 1 1 14 14 GLY N N 14 113.215 113.215 111.555 1.660 18842 3927 1 7 . 1 1 14 14 GLY C C 14 172.790 172.790 172.403 0.387 18842 3928 1 7 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.598 1.939 18842 3929 1 7 . 1 1 14 14 GLY H H 14 8.287 8.287 9.489 -1.202 18842 3930 1 7 . 1 1 15 15 ILE N N 15 123.244 123.244 119.682 3.562 18842 3931 1 7 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.377 0.443 18842 3932 1 7 . 1 1 15 15 ILE C C 15 175.417 175.417 174.056 1.361 18842 3933 1 7 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.573 -0.270 18842 3934 1 7 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.246 1.550 18842 3935 1 7 . 1 1 15 15 ILE H H 15 8.330 8.330 7.611 0.719 18842 3936 1 7 . 1 1 16 16 ILE N N 16 127.640 127.640 128.569 -0.929 18842 3937 1 7 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.444 0.523 18842 3938 1 7 . 1 1 16 16 ILE C C 16 173.248 173.248 173.850 -0.602 18842 3939 1 7 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.073 -0.261 18842 3940 1 7 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.379 2.344 18842 3941 1 7 . 1 1 16 16 ILE H H 16 9.438 9.438 9.230 0.208 18842 3942 1 7 . 1 1 17 17 ALA N N 17 127.760 127.760 130.884 -3.124 18842 3943 1 7 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.997 0.108 18842 3944 1 7 . 1 1 17 17 ALA C C 17 177.510 177.510 175.690 1.820 18842 3945 1 7 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.315 1.130 18842 3946 1 7 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.675 -0.514 18842 3947 1 7 . 1 1 17 17 ALA H H 17 8.968 8.968 8.853 0.115 18842 3948 1 7 . 1 1 18 18 ILE N N 18 122.269 122.269 122.789 -0.520 18842 3949 1 7 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.434 0.157 18842 3950 1 7 . 1 1 18 18 ILE C C 18 174.334 174.334 176.019 -1.685 18842 3951 1 7 . 1 1 18 18 ILE CA C 18 60.656 60.656 61.035 -0.379 18842 3952 1 7 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.403 0.661 18842 3953 1 7 . 1 1 18 18 ILE H H 18 8.665 8.665 8.342 0.323 18842 3954 1 7 . 1 1 19 19 ASN N N 19 127.568 127.568 127.235 0.333 18842 3955 1 7 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.822 0.258 18842 3956 1 7 . 1 1 19 19 ASN C C 19 174.784 174.784 174.966 -0.182 18842 3957 1 7 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.283 -0.645 18842 3958 1 7 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.686 0.905 18842 3959 1 7 . 1 1 19 19 ASN H H 19 9.378 9.378 9.193 0.185 18842 3960 1 7 . 1 1 20 20 GLU N N 20 121.587 121.587 123.372 -1.785 18842 3961 1 7 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.425 0.278 18842 3962 1 7 . 1 1 20 20 GLU C C 20 176.152 176.152 175.550 0.602 18842 3963 1 7 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.078 -1.187 18842 3964 1 7 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.815 1.052 18842 3965 1 7 . 1 1 20 20 GLU H H 20 9.046 9.046 8.097 0.949 18842 3966 1 7 . 1 1 21 21 ASP N N 21 121.077 121.077 117.092 3.985 18842 3967 1 7 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.707 -0.088 18842 3968 1 7 . 1 1 21 21 ASP C C 21 175.688 175.688 175.759 -0.071 18842 3969 1 7 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.562 0.951 18842 3970 1 7 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.409 -0.933 18842 3971 1 7 . 1 1 21 21 ASP H H 21 8.724 8.724 8.154 0.570 18842 3972 1 7 . 1 1 22 22 VAL N N 22 113.035 113.035 116.926 -3.891 18842 3973 1 7 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.440 -0.122 18842 3974 1 7 . 1 1 22 22 VAL C C 22 173.445 173.445 176.195 -2.750 18842 3975 1 7 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.547 -1.498 18842 3976 1 7 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.526 0.496 18842 3977 1 7 . 1 1 22 22 VAL H H 22 6.844 6.844 7.359 -0.515 18842 3978 1 7 . 1 1 23 23 SER N N 23 114.945 114.945 114.920 0.025 18842 3979 1 7 . 1 1 23 23 SER HA H 23 4.735 4.735 4.520 0.215 18842 3980 1 7 . 1 1 23 23 SER CA C 23 53.765 53.765 60.131 -6.366 18842 3981 1 7 . 1 1 23 23 SER CB C 23 64.743 64.743 62.023 2.720 18842 3982 1 7 . 1 1 23 23 SER H H 23 8.046 8.046 8.439 -0.393 18842 3983 1 7 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.615 0.153 18842 3984 1 7 . 1 1 24 24 PRO C C 24 174.807 174.807 175.758 -0.951 18842 3985 1 7 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.032 0.728 18842 3986 1 7 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.942 2.800 18842 3987 1 7 . 1 1 25 25 ALA N N 25 120.415 120.415 128.837 -8.422 18842 3988 1 7 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.420 0.095 18842 3989 1 7 . 1 1 25 25 ALA C C 25 175.790 175.790 177.277 -1.487 18842 3990 1 7 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.647 -0.114 18842 3991 1 7 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.169 1.413 18842 3992 1 7 . 1 1 25 25 ALA H H 25 7.979 7.979 8.548 -0.569 18842 3993 1 7 . 1 1 26 26 GLU N N 26 115.395 115.395 123.793 -8.398 18842 3994 1 7 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.209 -0.170 18842 3995 1 7 . 1 1 26 26 GLU C C 26 174.619 174.619 174.904 -0.285 18842 3996 1 7 . 1 1 26 26 GLU CA C 26 54.029 54.029 53.478 0.551 18842 3997 1 7 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.075 1.540 18842 3998 1 7 . 1 1 26 26 GLU H H 26 7.851 7.851 8.167 -0.316 18842 3999 1 7 . 1 1 27 27 LEU N N 27 124.661 124.661 122.743 1.918 18842 4000 1 7 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.880 0.146 18842 4001 1 7 . 1 1 27 27 LEU C C 27 174.740 174.740 175.333 -0.593 18842 4002 1 7 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.171 -0.390 18842 4003 1 7 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.460 1.149 18842 4004 1 7 . 1 1 27 27 LEU H H 27 8.898 8.898 9.331 -0.433 18842 4005 1 7 . 1 1 28 28 THR N N 28 121.731 121.731 124.364 -2.633 18842 4006 1 7 . 1 1 28 28 THR HA H 28 5.207 5.207 4.713 0.494 18842 4007 1 7 . 1 1 28 28 THR C C 28 172.661 172.661 173.269 -0.608 18842 4008 1 7 . 1 1 28 28 THR CA C 28 61.178 61.178 62.190 -1.012 18842 4009 1 7 . 1 1 28 28 THR CB C 28 71.422 71.422 69.378 2.044 18842 4010 1 7 . 1 1 28 28 THR H H 28 9.283 9.283 9.234 0.049 18842 4011 1 7 . 1 1 29 29 TRP N N 29 128.950 128.950 131.459 -2.509 18842 4012 1 7 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.078 0.353 18842 4013 1 7 . 1 1 29 29 TRP C C 29 173.939 173.939 174.428 -0.489 18842 4014 1 7 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.881 -0.099 18842 4015 1 7 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.362 1.815 18842 4016 1 7 . 1 1 29 29 TRP H H 29 9.399 9.399 9.472 -0.073 18842 4017 1 7 . 1 1 30 30 ARG N N 30 126.402 126.402 130.137 -3.735 18842 4018 1 7 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.419 0.410 18842 4019 1 7 . 1 1 30 30 ARG C C 30 174.751 174.751 175.880 -1.129 18842 4020 1 7 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.056 -0.667 18842 4021 1 7 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.074 1.744 18842 4022 1 7 . 1 1 30 30 ARG H H 30 7.613 7.613 9.137 -1.524 18842 4023 1 7 . 1 1 31 31 SER N N 31 118.353 118.353 121.840 -3.487 18842 4024 1 7 . 1 1 31 31 SER HA H 31 4.138 4.138 3.755 0.383 18842 4025 1 7 . 1 1 31 31 SER C C 31 176.426 176.426 175.296 1.130 18842 4026 1 7 . 1 1 31 31 SER CA C 31 58.013 58.013 59.183 -1.170 18842 4027 1 7 . 1 1 31 31 SER CB C 31 64.081 64.081 63.261 0.820 18842 4028 1 7 . 1 1 31 31 SER H H 31 8.086 8.086 8.419 -0.333 18842 4029 1 7 . 1 1 32 32 THR N N 32 119.213 119.213 114.005 5.208 18842 4030 1 7 . 1 1 32 32 THR HA H 32 3.856 3.856 4.177 -0.321 18842 4031 1 7 . 1 1 32 32 THR C C 32 175.664 175.664 175.550 0.114 18842 4032 1 7 . 1 1 32 32 THR CA C 32 66.142 66.142 64.921 1.221 18842 4033 1 7 . 1 1 32 32 THR CB C 32 68.446 68.446 68.745 -0.298 18842 4034 1 7 . 1 1 32 32 THR H H 32 8.556 8.556 8.288 0.268 18842 4035 1 7 . 1 1 33 33 ASP N N 33 117.260 117.260 119.805 -2.545 18842 4036 1 7 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.708 -0.081 18842 4037 1 7 . 1 1 33 33 ASP C C 33 177.098 177.098 176.695 0.403 18842 4038 1 7 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.536 -0.169 18842 4039 1 7 . 1 1 33 33 ASP H H 33 8.236 8.236 8.249 -0.013 18842 4040 1 7 . 1 1 34 34 GLY N N 34 109.136 109.136 106.365 2.771 18842 4041 1 7 . 1 1 34 34 GLY C C 34 173.778 173.778 174.657 -0.879 18842 4042 1 7 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.154 0.244 18842 4043 1 7 . 1 1 34 34 GLY H H 34 7.935 7.935 7.774 0.161 18842 4044 1 7 . 1 1 35 35 ASP N N 35 117.913 117.913 120.032 -2.119 18842 4045 1 7 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.720 -0.190 18842 4046 1 7 . 1 1 35 35 ASP C C 35 175.403 175.403 175.464 -0.061 18842 4047 1 7 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.911 -0.100 18842 4048 1 7 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.633 -0.591 18842 4049 1 7 . 1 1 35 35 ASP H H 35 8.271 8.271 8.139 0.132 18842 4050 1 7 . 1 1 36 36 LYS N N 36 120.335 120.335 119.995 0.340 18842 4051 1 7 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.729 0.178 18842 4052 1 7 . 1 1 36 36 LYS C C 36 174.651 174.651 174.124 0.527 18842 4053 1 7 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.426 -0.019 18842 4054 1 7 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.580 0.254 18842 4055 1 7 . 1 1 36 36 LYS H H 36 7.769 7.769 7.977 -0.208 18842 4056 1 7 . 1 1 37 37 VAL N N 37 121.484 121.484 122.148 -0.664 18842 4057 1 7 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.034 0.281 18842 4058 1 7 . 1 1 37 37 VAL C C 37 175.069 175.069 174.960 0.109 18842 4059 1 7 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.385 -0.287 18842 4060 1 7 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.430 0.628 18842 4061 1 7 . 1 1 37 37 VAL H H 37 8.582 8.582 8.549 0.033 18842 4062 1 7 . 1 1 38 38 HIS N N 38 125.660 125.660 126.054 -0.394 18842 4063 1 7 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.803 0.281 18842 4064 1 7 . 1 1 38 38 HIS C C 38 173.268 173.268 173.397 -0.129 18842 4065 1 7 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.867 0.201 18842 4066 1 7 . 1 1 38 38 HIS CB C 38 34.088 34.088 32.282 1.806 18842 4067 1 7 . 1 1 38 38 HIS H H 38 9.621 9.621 9.121 0.500 18842 4068 1 7 . 1 1 39 39 THR N N 39 124.752 124.752 122.861 1.891 18842 4069 1 7 . 1 1 39 39 THR HA H 39 5.139 5.139 5.296 -0.157 18842 4070 1 7 . 1 1 39 39 THR C C 39 173.208 173.208 173.256 -0.048 18842 4071 1 7 . 1 1 39 39 THR CA C 39 61.518 61.518 61.604 -0.086 18842 4072 1 7 . 1 1 39 39 THR CB C 39 70.665 70.665 70.584 0.081 18842 4073 1 7 . 1 1 39 39 THR H H 39 8.527 8.527 8.059 0.468 18842 4074 1 7 . 1 1 40 40 VAL N N 40 126.002 126.002 124.133 1.869 18842 4075 1 7 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.338 -0.414 18842 4076 1 7 . 1 1 40 40 VAL C C 40 174.731 174.731 173.984 0.747 18842 4077 1 7 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.406 -0.056 18842 4078 1 7 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.467 -2.102 18842 4079 1 7 . 1 1 40 40 VAL H H 40 9.388 9.388 9.123 0.265 18842 4080 1 7 . 1 1 41 41 VAL N N 41 129.872 129.872 127.857 2.015 18842 4081 1 7 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.237 -0.253 18842 4082 1 7 . 1 1 41 41 VAL C C 41 179.410 179.410 176.718 2.692 18842 4083 1 7 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.854 1.762 18842 4084 1 7 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.796 -0.808 18842 4085 1 7 . 1 1 41 41 VAL H H 41 9.054 9.054 8.817 0.237 18842 4086 1 7 . 1 1 42 42 LEU N N 42 130.076 130.076 128.884 1.192 18842 4087 1 7 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.230 -0.276 18842 4088 1 7 . 1 1 42 42 LEU C C 42 176.121 176.121 178.096 -1.975 18842 4089 1 7 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.748 1.874 18842 4090 1 7 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.629 0.194 18842 4091 1 7 . 1 1 42 42 LEU H H 42 9.193 9.193 8.278 0.915 18842 4092 1 7 . 1 1 43 43 SER N N 43 109.703 109.703 111.800 -2.097 18842 4093 1 7 . 1 1 43 43 SER HA H 43 3.944 3.944 2.628 1.316 18842 4094 1 7 . 1 1 43 43 SER C C 43 175.455 175.455 174.995 0.460 18842 4095 1 7 . 1 1 43 43 SER CA C 43 59.442 59.442 60.362 -0.920 18842 4096 1 7 . 1 1 43 43 SER CB C 43 61.299 61.299 62.782 -1.483 18842 4097 1 7 . 1 1 43 43 SER H H 43 6.961 6.961 8.361 -1.400 18842 4098 1 7 . 1 1 44 44 THR N N 44 110.409 110.409 111.879 -1.470 18842 4099 1 7 . 1 1 44 44 THR HA H 44 4.519 4.519 4.270 0.249 18842 4100 1 7 . 1 1 44 44 THR C C 44 173.493 173.493 174.598 -1.105 18842 4101 1 7 . 1 1 44 44 THR CA C 44 62.076 62.076 62.048 0.028 18842 4102 1 7 . 1 1 44 44 THR CB C 44 69.788 69.788 69.860 -0.072 18842 4103 1 7 . 1 1 44 44 THR H H 44 7.657 7.657 7.653 0.004 18842 4104 1 7 . 1 1 45 45 ILE N N 45 120.972 120.972 124.669 -3.697 18842 4105 1 7 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.026 0.299 18842 4106 1 7 . 1 1 45 45 ILE C C 45 173.882 173.882 176.482 -2.600 18842 4107 1 7 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.853 -3.813 18842 4108 1 7 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.016 0.485 18842 4109 1 7 . 1 1 45 45 ILE H H 45 7.089 7.089 7.709 -0.620 18842 4110 1 7 . 1 1 46 46 ASP N N 46 126.759 126.759 128.763 -2.004 18842 4111 1 7 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.422 0.240 18842 4112 1 7 . 1 1 46 46 ASP C C 46 175.424 175.424 175.722 -0.298 18842 4113 1 7 . 1 1 46 46 ASP CA C 46 55.017 55.017 55.940 -0.923 18842 4114 1 7 . 1 1 46 46 ASP CB C 46 44.583 44.583 42.126 2.457 18842 4115 1 7 . 1 1 46 46 ASP H H 46 9.372 9.372 8.590 0.782 18842 4116 1 7 . 1 1 47 47 LYS N N 47 111.663 111.663 114.603 -2.940 18842 4117 1 7 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.610 0.143 18842 4118 1 7 . 1 1 47 47 LYS C C 47 172.574 172.574 174.008 -1.434 18842 4119 1 7 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.098 -0.483 18842 4120 1 7 . 1 1 47 47 LYS CB C 47 36.196 36.196 36.058 0.138 18842 4121 1 7 . 1 1 47 47 LYS H H 47 7.522 7.522 7.476 0.046 18842 4122 1 7 . 1 1 48 48 LEU N N 48 123.295 123.295 121.921 1.374 18842 4123 1 7 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.950 0.193 18842 4124 1 7 . 1 1 48 48 LEU C C 48 174.770 174.770 175.811 -1.041 18842 4125 1 7 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.704 -0.768 18842 4126 1 7 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.890 0.690 18842 4127 1 7 . 1 1 48 48 LEU H H 48 8.938 8.938 8.408 0.530 18842 4128 1 7 . 1 1 49 49 GLN N N 49 120.979 120.979 122.512 -1.533 18842 4129 1 7 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.691 0.821 18842 4130 1 7 . 1 1 49 49 GLN C C 49 174.626 174.626 173.900 0.726 18842 4131 1 7 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.826 -1.195 18842 4132 1 7 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.380 0.709 18842 4133 1 7 . 1 1 49 49 GLN H H 49 9.246 9.246 8.597 0.649 18842 4134 1 7 . 1 1 50 50 ALA N N 50 122.440 122.440 123.984 -1.544 18842 4135 1 7 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.434 1.374 18842 4136 1 7 . 1 1 50 50 ALA C C 50 177.277 177.277 176.391 0.886 18842 4137 1 7 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.475 -0.855 18842 4138 1 7 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.437 3.086 18842 4139 1 7 . 1 1 50 50 ALA H H 50 9.365 9.365 8.103 1.262 18842 4140 1 7 . 1 1 51 51 THR N N 51 114.289 114.289 116.565 -2.276 18842 4141 1 7 . 1 1 51 51 THR HA H 51 4.615 4.615 4.546 0.069 18842 4142 1 7 . 1 1 51 51 THR CA C 51 59.197 59.197 59.684 -0.486 18842 4143 1 7 . 1 1 51 51 THR CB C 51 67.937 67.937 68.002 -0.065 18842 4144 1 7 . 1 1 51 51 THR H H 51 8.368 8.368 8.169 0.199 18842 4145 1 7 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.282 0.249 18842 4146 1 7 . 1 1 52 52 PRO C C 52 178.380 178.380 178.232 0.148 18842 4147 1 7 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.765 -0.390 18842 4148 1 7 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.001 0.639 18842 4149 1 7 . 1 1 53 53 ALA N N 53 126.235 126.235 122.920 3.315 18842 4150 1 7 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.088 -0.058 18842 4151 1 7 . 1 1 53 53 ALA C C 53 177.700 177.700 179.138 -1.438 18842 4152 1 7 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.315 0.480 18842 4153 1 7 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.642 -0.623 18842 4154 1 7 . 1 1 53 53 ALA H H 53 9.122 9.122 8.425 0.697 18842 4155 1 7 . 1 1 54 54 SER N N 54 107.216 107.216 111.301 -4.085 18842 4156 1 7 . 1 1 54 54 SER HA H 54 4.238 4.238 4.342 -0.104 18842 4157 1 7 . 1 1 54 54 SER C C 54 174.957 174.957 174.825 0.132 18842 4158 1 7 . 1 1 54 54 SER CA C 54 58.260 58.260 58.743 -0.483 18842 4159 1 7 . 1 1 54 54 SER CB C 54 63.120 63.120 63.322 -0.202 18842 4160 1 7 . 1 1 54 54 SER H H 54 7.620 7.620 7.979 -0.359 18842 4161 1 7 . 1 1 55 55 SER N N 55 117.523 117.523 117.036 0.487 18842 4162 1 7 . 1 1 55 55 SER HA H 55 4.469 4.469 4.481 -0.012 18842 4163 1 7 . 1 1 55 55 SER C C 55 174.952 174.952 174.140 0.812 18842 4164 1 7 . 1 1 55 55 SER CA C 55 57.500 57.500 58.632 -1.132 18842 4165 1 7 . 1 1 55 55 SER CB C 55 63.801 63.801 63.976 -0.175 18842 4166 1 7 . 1 1 55 55 SER H H 55 7.676 7.676 7.857 -0.181 18842 4167 1 7 . 1 1 56 56 GLU N N 56 124.557 124.557 124.362 0.195 18842 4168 1 7 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.049 0.130 18842 4169 1 7 . 1 1 56 56 GLU C C 56 177.924 177.924 175.993 1.931 18842 4170 1 7 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.217 -0.555 18842 4171 1 7 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.958 -0.129 18842 4172 1 7 . 1 1 56 56 GLU H H 56 8.844 8.844 8.758 0.086 18842 4173 1 7 . 1 1 57 57 LYS N N 57 119.220 119.220 118.718 0.502 18842 4174 1 7 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.465 -0.169 18842 4175 1 7 . 1 1 57 57 LYS C C 57 175.667 175.667 175.606 0.061 18842 4176 1 7 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.655 1.200 18842 4177 1 7 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.969 0.886 18842 4178 1 7 . 1 1 57 57 LYS H H 57 8.259 8.259 7.784 0.475 18842 4179 1 7 . 1 1 58 58 MET N N 58 123.270 123.270 123.434 -0.164 18842 4180 1 7 . 1 1 58 58 MET HA H 58 4.288 4.288 4.817 -0.529 18842 4181 1 7 . 1 1 58 58 MET C C 58 174.107 174.107 175.467 -1.360 18842 4182 1 7 . 1 1 58 58 MET CA C 58 55.067 55.067 54.711 0.356 18842 4183 1 7 . 1 1 58 58 MET CB C 58 35.381 35.381 33.279 2.102 18842 4184 1 7 . 1 1 58 58 MET H H 58 8.811 8.811 8.708 0.103 18842 4185 1 7 . 1 1 59 59 MET N N 59 120.490 120.490 122.291 -1.801 18842 4186 1 7 . 1 1 59 59 MET HA H 59 5.873 5.873 4.942 0.931 18842 4187 1 7 . 1 1 59 59 MET C C 59 174.459 174.459 173.942 0.517 18842 4188 1 7 . 1 1 59 59 MET CA C 59 54.903 54.903 55.632 -0.729 18842 4189 1 7 . 1 1 59 59 MET CB C 59 39.231 39.231 37.499 1.732 18842 4190 1 7 . 1 1 59 59 MET H H 59 8.395 8.395 8.830 -0.435 18842 4191 1 7 . 1 1 60 60 LEU N N 60 118.105 118.105 122.544 -4.439 18842 4192 1 7 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.808 0.856 18842 4193 1 7 . 1 1 60 60 LEU C C 60 175.664 175.664 175.216 0.448 18842 4194 1 7 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.571 -0.443 18842 4195 1 7 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.686 2.749 18842 4196 1 7 . 1 1 60 60 LEU H H 60 9.103 9.103 9.244 -0.141 18842 4197 1 7 . 1 1 61 61 ARG N N 61 120.757 120.757 121.009 -0.252 18842 4198 1 7 . 1 1 61 61 ARG HA H 61 5.458 5.458 4.999 0.459 18842 4199 1 7 . 1 1 61 61 ARG C C 61 173.515 173.515 174.269 -0.754 18842 4200 1 7 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.854 -0.130 18842 4201 1 7 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.459 1.673 18842 4202 1 7 . 1 1 61 61 ARG H H 61 9.287 9.287 8.401 0.886 18842 4203 1 7 . 1 1 62 62 LEU N N 62 127.139 127.139 123.961 3.178 18842 4204 1 7 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.818 0.211 18842 4205 1 7 . 1 1 62 62 LEU C C 62 175.440 175.440 175.133 0.307 18842 4206 1 7 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.612 0.788 18842 4207 1 7 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.126 -2.023 18842 4208 1 7 . 1 1 62 62 LEU H H 62 9.307 9.307 8.296 1.011 18842 4209 1 7 . 1 1 63 63 ILE N N 63 123.292 123.292 125.707 -2.415 18842 4210 1 7 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.259 0.329 18842 4211 1 7 . 1 1 63 63 ILE C C 63 176.319 176.319 175.783 0.536 18842 4212 1 7 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.197 0.190 18842 4213 1 7 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.313 -0.192 18842 4214 1 7 . 1 1 63 63 ILE H H 63 8.891 8.891 8.968 -0.077 18842 4215 1 7 . 1 1 64 64 GLY N N 64 115.565 115.565 114.577 0.988 18842 4216 1 7 . 1 1 64 64 GLY C C 64 172.551 172.551 173.271 -0.720 18842 4217 1 7 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.583 1.846 18842 4218 1 7 . 1 1 64 64 GLY H H 64 9.356 9.356 7.798 1.558 18842 4219 1 7 . 1 1 65 65 LYS N N 65 119.442 119.442 120.785 -1.343 18842 4220 1 7 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.085 0.210 18842 4221 1 7 . 1 1 65 65 LYS C C 65 176.205 176.205 175.846 0.359 18842 4222 1 7 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.239 -0.651 18842 4223 1 7 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.538 1.815 18842 4224 1 7 . 1 1 65 65 LYS H H 65 8.361 8.361 8.193 0.168 18842 4225 1 7 . 1 1 66 66 VAL N N 66 122.131 122.131 126.025 -3.894 18842 4226 1 7 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.225 -0.139 18842 4227 1 7 . 1 1 66 66 VAL C C 66 175.265 175.265 174.764 0.501 18842 4228 1 7 . 1 1 66 66 VAL CA C 66 62.063 62.063 60.110 1.953 18842 4229 1 7 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.650 -0.386 18842 4230 1 7 . 1 1 66 66 VAL H H 66 8.637 8.637 8.524 0.113 18842 4231 1 7 . 1 1 67 67 ASP N N 67 125.510 125.510 118.995 6.515 18842 4232 1 7 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.871 -0.144 18842 4233 1 7 . 1 1 67 67 ASP C C 67 176.708 176.708 174.419 2.289 18842 4234 1 7 . 1 1 67 67 ASP CA C 67 53.140 53.140 53.857 -0.717 18842 4235 1 7 . 1 1 67 67 ASP CB C 67 40.930 40.930 43.596 -2.666 18842 4236 1 7 . 1 1 67 67 ASP H H 67 8.460 8.460 8.144 0.316 18842 4237 1 7 . 1 1 68 68 GLU N N 68 124.449 124.449 117.967 6.482 18842 4238 1 7 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.396 -0.308 18842 4239 1 7 . 1 1 68 68 GLU C C 68 177.451 177.451 174.976 2.475 18842 4240 1 7 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.718 1.137 18842 4241 1 7 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.719 -0.042 18842 4242 1 7 . 1 1 68 68 GLU H H 68 8.752 8.752 8.216 0.536 18842 4243 1 7 . 1 1 69 69 SER N N 69 115.515 115.515 117.022 -1.507 18842 4244 1 7 . 1 1 69 69 SER HA H 69 4.329 4.329 4.507 -0.178 18842 4245 1 7 . 1 1 69 69 SER C C 69 175.277 175.277 173.595 1.682 18842 4246 1 7 . 1 1 69 69 SER CA C 69 60.139 60.139 58.502 1.637 18842 4247 1 7 . 1 1 69 69 SER CB C 69 63.223 63.223 62.897 0.326 18842 4248 1 7 . 1 1 69 69 SER H H 69 8.497 8.497 7.904 0.593 18842 4249 1 7 . 1 1 70 70 LYS N N 70 121.733 121.733 119.537 2.196 18842 4250 1 7 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.084 0.326 18842 4251 1 7 . 1 1 70 70 LYS C C 70 177.124 177.124 175.528 1.596 18842 4252 1 7 . 1 1 70 70 LYS CA C 70 55.324 55.324 57.155 -1.831 18842 4253 1 7 . 1 1 70 70 LYS H H 70 7.689 7.689 8.206 -0.517 18842 4254 1 7 . 1 1 71 71 LYS N N 71 121.012 121.012 120.825 0.187 18842 4255 1 7 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.535 -0.128 18842 4256 1 7 . 1 1 71 71 LYS C C 71 176.175 176.175 176.458 -0.283 18842 4257 1 7 . 1 1 71 71 LYS CA C 71 56.612 56.612 54.365 2.247 18842 4258 1 7 . 1 1 71 71 LYS H H 71 7.750 7.750 8.413 -0.663 18842 4259 1 7 . 1 1 72 72 ARG N N 72 122.064 122.064 120.618 1.446 18842 4260 1 7 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.092 0.509 18842 4261 1 7 . 1 1 72 72 ARG C C 72 175.228 175.228 176.284 -1.056 18842 4262 1 7 . 1 1 72 72 ARG CA C 72 54.929 54.929 57.618 -2.689 18842 4263 1 7 . 1 1 72 72 ARG CB C 72 32.325 32.325 30.696 1.629 18842 4264 1 7 . 1 1 72 72 ARG H H 72 8.420 8.420 8.438 -0.018 18842 4265 1 7 . 1 1 73 73 LYS N N 73 121.217 121.217 119.182 2.035 18842 4266 1 7 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.475 0.458 18842 4267 1 7 . 1 1 73 73 LYS C C 73 177.010 177.010 176.344 0.666 18842 4268 1 7 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.844 -0.639 18842 4269 1 7 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.310 1.370 18842 4270 1 7 . 1 1 73 73 LYS H H 73 8.401 8.401 8.154 0.247 18842 4271 1 7 . 1 1 74 74 ASP N N 74 122.025 122.025 118.964 3.061 18842 4272 1 7 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.734 -0.024 18842 4273 1 7 . 1 1 74 74 ASP C C 74 177.475 177.475 175.927 1.548 18842 4274 1 7 . 1 1 74 74 ASP CA C 74 52.756 52.756 54.202 -1.446 18842 4275 1 7 . 1 1 74 74 ASP CB C 74 41.022 41.022 40.869 0.153 18842 4276 1 7 . 1 1 74 74 ASP H H 74 8.582 8.582 8.329 0.253 18842 4277 1 7 . 1 1 75 75 ASN N N 75 116.228 116.228 115.179 1.049 18842 4278 1 7 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.399 0.137 18842 4279 1 7 . 1 1 75 75 ASN C C 75 175.999 175.999 174.533 1.466 18842 4280 1 7 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.817 0.036 18842 4281 1 7 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.132 1.000 18842 4282 1 7 . 1 1 75 75 ASN H H 75 8.433 8.433 8.841 -0.409 18842 4283 1 7 . 1 1 76 76 GLU N N 76 118.958 118.958 117.236 1.722 18842 4284 1 7 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.504 -0.123 18842 4285 1 7 . 1 1 76 76 GLU C C 76 176.556 176.556 176.470 0.086 18842 4286 1 7 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.419 -0.256 18842 4287 1 7 . 1 1 76 76 GLU H H 76 8.162 8.162 8.400 -0.238 18842 4288 1 7 . 1 1 77 77 GLY N N 77 108.062 108.062 108.486 -0.424 18842 4289 1 7 . 1 1 77 77 GLY C C 77 174.247 174.247 172.666 1.581 18842 4290 1 7 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.788 0.422 18842 4291 1 7 . 1 1 77 77 GLY H H 77 8.106 8.106 7.938 0.168 18842 4292 1 7 . 1 1 78 78 ASN N N 78 119.929 119.929 118.880 1.049 18842 4293 1 7 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.920 -0.174 18842 4294 1 7 . 1 1 78 78 ASN C C 78 175.035 175.035 174.206 0.829 18842 4295 1 7 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.742 0.053 18842 4296 1 7 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.933 -1.988 18842 4297 1 7 . 1 1 78 78 ASN H H 78 8.569 8.569 8.168 0.401 18842 4298 1 7 . 1 1 79 79 GLU N N 79 121.658 121.658 124.514 -2.856 18842 4299 1 7 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.229 0.252 18842 4300 1 7 . 1 1 79 79 GLU C C 79 176.302 176.302 176.112 0.190 18842 4301 1 7 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.691 -0.029 18842 4302 1 7 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.086 2.557 18842 4303 1 7 . 1 1 79 79 GLU H H 79 8.691 8.691 8.710 -0.019 18842 4304 1 7 . 1 1 80 80 VAL N N 80 123.997 123.997 118.528 5.469 18842 4305 1 7 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.264 -0.009 18842 4306 1 7 . 1 1 80 80 VAL C C 80 175.544 175.544 174.280 1.264 18842 4307 1 7 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.610 0.683 18842 4308 1 7 . 1 1 80 80 VAL CB C 80 33.543 33.543 33.542 0.001 18842 4309 1 7 . 1 1 80 80 VAL H H 80 8.581 8.581 8.067 0.514 18842 4310 1 7 . 1 1 81 81 VAL N N 81 126.545 126.545 116.866 9.679 18842 4311 1 7 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.439 -0.013 18842 4312 1 7 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.595 0.956 18842 4313 1 7 . 1 1 81 81 VAL CB C 81 32.894 32.894 33.601 -0.707 18842 4314 1 7 . 1 1 81 81 VAL H H 81 8.407 8.407 8.009 0.398 18842 4315 1 7 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.313 0.119 18842 4316 1 7 . 1 1 82 82 PRO C C 82 176.036 176.036 176.043 -0.007 18842 4317 1 7 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.998 -0.433 18842 4318 1 7 . 1 1 83 83 LYS N N 83 121.727 121.727 123.300 -1.573 18842 4319 1 7 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.091 0.460 18842 4320 1 7 . 1 1 83 83 LYS CA C 83 53.779 53.779 56.305 -2.526 18842 4321 1 7 . 1 1 83 83 LYS H H 83 8.316 8.316 8.329 -0.013 18842 4322 1 7 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.368 -0.075 18842 4323 1 7 . 1 1 84 84 PRO C C 84 176.883 176.883 176.246 0.637 18842 4324 1 7 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.725 -0.249 18842 4325 1 7 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.444 -0.002 18842 4326 1 7 . 1 1 85 85 GLN N N 85 121.423 121.423 122.018 -0.595 18842 4327 1 7 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.175 -0.030 18842 4328 1 7 . 1 1 85 85 GLN C C 85 175.026 175.026 175.423 -0.397 18842 4329 1 7 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.270 -0.229 18842 4330 1 7 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.367 1.442 18842 4331 1 7 . 1 1 85 85 GLN H H 85 8.471 8.471 8.544 -0.073 18842 4332 1 7 . 1 1 86 86 ARG N N 86 120.972 120.972 122.922 -1.950 18842 4333 1 7 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.921 0.266 18842 4334 1 7 . 1 1 86 86 ARG C C 86 175.091 175.091 175.153 -0.062 18842 4335 1 7 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.758 0.634 18842 4336 1 7 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.404 0.024 18842 4337 1 7 . 1 1 86 86 ARG H H 86 8.265 8.265 8.140 0.125 18842 4338 1 7 . 1 1 87 87 HIS N N 87 120.390 120.390 118.797 1.593 18842 4339 1 7 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.685 0.060 18842 4340 1 7 . 1 1 87 87 HIS C C 87 173.730 173.730 173.451 0.279 18842 4341 1 7 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.416 -0.209 18842 4342 1 7 . 1 1 87 87 HIS CB C 87 33.597 33.597 31.261 2.336 18842 4343 1 7 . 1 1 87 87 HIS H H 87 8.590 8.590 8.408 0.182 18842 4344 1 7 . 1 1 88 88 MET N N 88 126.611 126.611 124.346 2.265 18842 4345 1 7 . 1 1 88 88 MET HA H 88 5.320 5.320 4.326 0.994 18842 4346 1 7 . 1 1 88 88 MET C C 88 173.520 173.520 173.816 -0.296 18842 4347 1 7 . 1 1 88 88 MET CA C 88 54.782 54.782 55.259 -0.477 18842 4348 1 7 . 1 1 88 88 MET CB C 88 35.451 35.451 32.795 2.656 18842 4349 1 7 . 1 1 88 88 MET H H 88 8.716 8.716 8.704 0.012 18842 4350 1 7 . 1 1 89 89 PHE N N 89 122.328 122.328 126.159 -3.831 18842 4351 1 7 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.504 -0.294 18842 4352 1 7 . 1 1 89 89 PHE C C 89 174.448 174.448 175.126 -0.678 18842 4353 1 7 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.325 1.127 18842 4354 1 7 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.346 2.742 18842 4355 1 7 . 1 1 89 89 PHE H H 89 8.989 8.989 8.802 0.187 18842 4356 1 7 . 1 1 90 90 SER N N 90 116.094 116.094 117.856 -1.762 18842 4357 1 7 . 1 1 90 90 SER HA H 90 5.681 5.681 4.908 0.773 18842 4358 1 7 . 1 1 90 90 SER C C 90 173.094 173.094 173.474 -0.380 18842 4359 1 7 . 1 1 90 90 SER CA C 90 56.645 56.645 56.961 -0.316 18842 4360 1 7 . 1 1 90 90 SER CB C 90 64.824 64.824 64.447 0.377 18842 4361 1 7 . 1 1 90 90 SER H H 90 8.680 8.680 8.813 -0.133 18842 4362 1 7 . 1 1 91 91 PHE N N 91 120.812 120.812 125.785 -4.973 18842 4363 1 7 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.753 0.141 18842 4364 1 7 . 1 1 91 91 PHE C C 91 174.500 174.500 175.313 -0.813 18842 4365 1 7 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.902 -0.500 18842 4366 1 7 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.766 2.561 18842 4367 1 7 . 1 1 91 91 PHE H H 91 9.050 9.050 8.476 0.574 18842 4368 1 7 . 1 1 92 92 ASN N N 92 115.876 115.876 118.561 -2.685 18842 4369 1 7 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.858 0.244 18842 4370 1 7 . 1 1 92 92 ASN C C 92 174.901 174.901 175.009 -0.108 18842 4371 1 7 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.785 -1.579 18842 4372 1 7 . 1 1 92 92 ASN CB C 92 39.864 39.864 41.185 -1.321 18842 4373 1 7 . 1 1 92 92 ASN H H 92 9.135 9.135 8.580 0.555 18842 4374 1 7 . 1 1 93 93 ASN N N 93 118.335 118.335 118.513 -0.178 18842 4375 1 7 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.917 -0.016 18842 4376 1 7 . 1 1 93 93 ASN C C 93 174.579 174.579 175.792 -1.213 18842 4377 1 7 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.419 0.609 18842 4378 1 7 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.349 1.453 18842 4379 1 7 . 1 1 93 93 ASN H H 93 7.271 7.271 8.158 -0.887 18842 4380 1 7 . 1 1 94 94 ARG N N 94 129.027 129.027 121.862 7.165 18842 4381 1 7 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.439 -0.574 18842 4382 1 7 . 1 1 94 94 ARG C C 94 176.782 176.782 177.543 -0.761 18842 4383 1 7 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.532 0.519 18842 4384 1 7 . 1 1 94 94 ARG H H 94 9.334 9.334 8.656 0.678 18842 4385 1 7 . 1 1 95 95 THR N N 95 115.756 115.756 115.105 0.651 18842 4386 1 7 . 1 1 95 95 THR HA H 95 4.028 4.028 4.306 -0.278 18842 4387 1 7 . 1 1 95 95 THR C C 95 176.742 176.742 176.040 0.702 18842 4388 1 7 . 1 1 95 95 THR CA C 95 66.325 66.325 65.494 0.831 18842 4389 1 7 . 1 1 95 95 THR CB C 95 68.281 68.281 68.758 -0.477 18842 4390 1 7 . 1 1 95 95 THR H H 95 8.000 8.000 8.092 -0.092 18842 4391 1 7 . 1 1 96 96 VAL N N 96 121.852 121.852 119.362 2.490 18842 4392 1 7 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.860 -0.064 18842 4393 1 7 . 1 1 96 96 VAL C C 96 177.587 177.587 177.108 0.479 18842 4394 1 7 . 1 1 96 96 VAL CA C 96 65.958 65.958 65.480 0.478 18842 4395 1 7 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.290 0.738 18842 4396 1 7 . 1 1 96 96 VAL H H 96 7.609 7.609 8.064 -0.455 18842 4397 1 7 . 1 1 97 97 MET N N 97 117.469 117.469 116.913 0.556 18842 4398 1 7 . 1 1 97 97 MET HA H 97 2.337 2.337 4.396 -2.059 18842 4399 1 7 . 1 1 97 97 MET C C 97 177.257 177.257 177.809 -0.552 18842 4400 1 7 . 1 1 97 97 MET H H 97 7.337 7.337 7.693 -0.356 18842 4401 1 7 . 1 1 98 98 ASP N N 98 118.162 118.162 119.638 -1.476 18842 4402 1 7 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.362 -0.046 18842 4403 1 7 . 1 1 98 98 ASP C C 98 178.771 178.771 178.130 0.641 18842 4404 1 7 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.628 -0.074 18842 4405 1 7 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.922 -1.143 18842 4406 1 7 . 1 1 98 98 ASP H H 98 8.729 8.729 8.289 0.440 18842 4407 1 7 . 1 1 99 99 ASN N N 99 120.303 120.303 116.721 3.582 18842 4408 1 7 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.597 -0.128 18842 4409 1 7 . 1 1 99 99 ASN C C 99 178.220 178.220 177.382 0.838 18842 4410 1 7 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.092 1.002 18842 4411 1 7 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.424 -0.052 18842 4412 1 7 . 1 1 99 99 ASN H H 99 8.104 8.104 7.572 0.532 18842 4413 1 7 . 1 1 100 100 ILE N N 100 121.160 121.160 121.987 -0.827 18842 4414 1 7 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.775 -0.129 18842 4415 1 7 . 1 1 100 100 ILE C C 100 177.361 177.361 177.714 -0.353 18842 4416 1 7 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.257 -1.511 18842 4417 1 7 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.028 -1.326 18842 4418 1 7 . 1 1 100 100 ILE H H 100 8.020 8.020 8.576 -0.556 18842 4419 1 7 . 1 1 101 101 LYS N N 101 120.747 120.747 120.099 0.648 18842 4420 1 7 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.961 -0.277 18842 4421 1 7 . 1 1 101 101 LYS C C 101 177.127 177.127 179.196 -2.069 18842 4422 1 7 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.731 0.429 18842 4423 1 7 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.265 0.732 18842 4424 1 7 . 1 1 101 101 LYS H H 101 8.907 8.907 8.265 0.642 18842 4425 1 7 . 1 1 102 102 MET N N 102 116.126 116.126 114.010 2.116 18842 4426 1 7 . 1 1 102 102 MET HA H 102 4.245 4.245 4.926 -0.681 18842 4427 1 7 . 1 1 102 102 MET C C 102 178.941 178.941 178.269 0.672 18842 4428 1 7 . 1 1 102 102 MET CA C 102 58.367 58.367 58.492 -0.125 18842 4429 1 7 . 1 1 102 102 MET CB C 102 32.055 32.055 32.652 -0.597 18842 4430 1 7 . 1 1 102 102 MET H H 102 8.002 8.002 7.494 0.508 18842 4431 1 7 . 1 1 103 103 THR N N 103 117.988 117.988 117.825 0.163 18842 4432 1 7 . 1 1 103 103 THR HA H 103 3.861 3.861 3.904 -0.043 18842 4433 1 7 . 1 1 103 103 THR C C 103 176.493 176.493 176.567 -0.074 18842 4434 1 7 . 1 1 103 103 THR CA C 103 66.168 66.168 66.792 -0.624 18842 4435 1 7 . 1 1 103 103 THR CB C 103 67.923 67.923 68.645 -0.722 18842 4436 1 7 . 1 1 103 103 THR H H 103 7.694 7.694 7.932 -0.238 18842 4437 1 7 . 1 1 104 104 LEU N N 104 119.248 119.248 121.308 -2.060 18842 4438 1 7 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.038 -0.158 18842 4439 1 7 . 1 1 104 104 LEU C C 104 178.072 178.072 178.233 -0.161 18842 4440 1 7 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.550 -0.504 18842 4441 1 7 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.656 1.238 18842 4442 1 7 . 1 1 104 104 LEU H H 104 8.530 8.530 8.754 -0.224 18842 4443 1 7 . 1 1 105 105 GLN N N 105 119.071 119.071 116.994 2.077 18842 4444 1 7 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.882 0.086 18842 4445 1 7 . 1 1 105 105 GLN C C 105 178.675 178.675 178.323 0.352 18842 4446 1 7 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.683 0.390 18842 4447 1 7 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.746 0.222 18842 4448 1 7 . 1 1 105 105 GLN H H 105 8.623 8.623 7.784 0.839 18842 4449 1 7 . 1 1 106 106 GLN N N 106 117.946 117.946 119.015 -1.069 18842 4450 1 7 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.102 -0.063 18842 4451 1 7 . 1 1 106 106 GLN C C 106 178.677 178.677 178.438 0.239 18842 4452 1 7 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.184 0.531 18842 4453 1 7 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.295 0.169 18842 4454 1 7 . 1 1 106 106 GLN H H 106 7.581 7.581 7.685 -0.104 18842 4455 1 7 . 1 1 107 107 ILE N N 107 120.013 120.013 119.478 0.535 18842 4456 1 7 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.710 -0.245 18842 4457 1 7 . 1 1 107 107 ILE C C 107 177.586 177.586 177.469 0.117 18842 4458 1 7 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.302 1.180 18842 4459 1 7 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.267 0.872 18842 4460 1 7 . 1 1 107 107 ILE H H 107 7.801 7.801 7.899 -0.098 18842 4461 1 7 . 1 1 108 108 ILE N N 108 117.686 117.686 121.932 -4.246 18842 4462 1 7 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.764 0.020 18842 4463 1 7 . 1 1 108 108 ILE C C 108 179.171 179.171 178.450 0.721 18842 4464 1 7 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.779 -0.176 18842 4465 1 7 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.739 0.502 18842 4466 1 7 . 1 1 108 108 ILE H H 108 8.734 8.734 7.973 0.761 18842 4467 1 7 . 1 1 109 109 SER N N 109 114.198 114.198 114.471 -0.273 18842 4468 1 7 . 1 1 109 109 SER HA H 109 4.214 4.214 4.068 0.146 18842 4469 1 7 . 1 1 109 109 SER C C 109 176.381 176.381 176.151 0.230 18842 4470 1 7 . 1 1 109 109 SER CA C 109 61.564 61.564 61.403 0.161 18842 4471 1 7 . 1 1 109 109 SER CB C 109 62.831 62.831 62.896 -0.065 18842 4472 1 7 . 1 1 109 109 SER H H 109 7.881 7.881 8.434 -0.553 18842 4473 1 7 . 1 1 110 110 ARG N N 110 121.010 121.010 121.207 -0.197 18842 4474 1 7 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.913 0.224 18842 4475 1 7 . 1 1 110 110 ARG C C 110 178.636 178.636 178.237 0.399 18842 4476 1 7 . 1 1 110 110 ARG CA C 110 58.376 58.376 59.075 -0.699 18842 4477 1 7 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.237 0.613 18842 4478 1 7 . 1 1 110 110 ARG H H 110 7.550 7.550 7.493 0.057 18842 4479 1 7 . 1 1 111 111 TYR N N 111 117.243 117.243 118.027 -0.784 18842 4480 1 7 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.424 0.371 18842 4481 1 7 . 1 1 111 111 TYR C C 111 176.218 176.218 178.086 -1.868 18842 4482 1 7 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.623 -2.049 18842 4483 1 7 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.399 0.093 18842 4484 1 7 . 1 1 111 111 TYR H H 111 7.496 7.496 7.419 0.077 18842 4485 1 7 . 1 1 112 112 LYS N N 112 121.040 121.040 121.268 -0.228 18842 4486 1 7 . 1 1 112 112 LYS HA H 112 4.334 4.334 3.993 0.341 18842 4487 1 7 . 1 1 112 112 LYS C C 112 177.437 177.437 178.509 -1.072 18842 4488 1 7 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.593 -1.964 18842 4489 1 7 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.203 0.388 18842 4490 1 7 . 1 1 112 112 LYS H H 112 7.755 7.755 7.481 0.274 18842 4491 1 7 . 1 1 113 113 ASP N N 113 120.593 120.593 117.749 2.844 18842 4492 1 7 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.448 0.189 18842 4493 1 7 . 1 1 113 113 ASP C C 113 176.587 176.587 177.744 -1.157 18842 4494 1 7 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.947 0.146 18842 4495 1 7 . 1 1 113 113 ASP H H 113 8.246 8.246 7.892 0.354 18842 4496 1 7 . 1 1 114 114 ALA N N 114 123.721 123.721 122.440 1.281 18842 4497 1 7 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.216 0.133 18842 4498 1 7 . 1 1 114 114 ALA C C 114 178.004 178.004 178.536 -0.532 18842 4499 1 7 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.163 -0.277 18842 4500 1 7 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.440 -0.175 18842 4501 1 7 . 1 1 114 114 ALA H H 114 8.038 8.038 7.468 0.570 18842 4502 1 8 . 1 1 2 2 SER N N 2 113.417 113.417 115.949 -2.532 18842 4503 1 8 . 1 1 2 2 SER HA H 2 4.355 4.355 4.626 -0.271 18842 4504 1 8 . 1 1 2 2 SER CA C 2 58.647 58.647 58.969 -0.323 18842 4505 1 8 . 1 1 2 2 SER CB C 2 63.504 63.504 64.806 -1.302 18842 4506 1 8 . 1 1 2 2 SER H H 2 8.096 8.096 8.749 -0.653 18842 4507 1 8 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.933 -0.256 18842 4508 1 8 . 1 1 3 3 HIS C C 3 173.601 173.601 173.544 0.057 18842 4509 1 8 . 1 1 3 3 HIS CA C 3 56.229 56.229 54.084 2.145 18842 4510 1 8 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.344 1.979 18842 4511 1 8 . 1 1 4 4 SER N N 4 113.555 113.555 114.815 -1.260 18842 4512 1 8 . 1 1 4 4 SER HA H 4 5.483 5.483 4.952 0.531 18842 4513 1 8 . 1 1 4 4 SER C C 4 173.624 173.624 172.614 1.010 18842 4514 1 8 . 1 1 4 4 SER CA C 4 56.904 56.904 58.197 -1.292 18842 4515 1 8 . 1 1 4 4 SER CB C 4 65.900 65.900 65.265 0.635 18842 4516 1 8 . 1 1 4 4 SER H H 4 7.865 7.865 7.829 0.036 18842 4517 1 8 . 1 1 5 5 GLY N N 5 107.050 107.050 107.255 -0.205 18842 4518 1 8 . 1 1 5 5 GLY C C 5 170.915 170.915 172.013 -1.098 18842 4519 1 8 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.390 1.027 18842 4520 1 8 . 1 1 5 5 GLY H H 5 8.370 8.370 8.757 -0.387 18842 4521 1 8 . 1 1 6 6 ALA N N 6 125.347 125.347 123.245 2.102 18842 4522 1 8 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.649 0.304 18842 4523 1 8 . 1 1 6 6 ALA C C 6 176.816 176.816 176.084 0.732 18842 4524 1 8 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.298 0.307 18842 4525 1 8 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.111 0.262 18842 4526 1 8 . 1 1 6 6 ALA H H 6 8.671 8.671 8.504 0.167 18842 4527 1 8 . 1 1 7 7 ALA N N 7 120.077 120.077 126.014 -5.937 18842 4528 1 8 . 1 1 7 7 ALA HA H 7 4.662 4.662 3.917 0.745 18842 4529 1 8 . 1 1 7 7 ALA C C 7 176.697 176.697 175.724 0.973 18842 4530 1 8 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.556 2.112 18842 4531 1 8 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.392 2.656 18842 4532 1 8 . 1 1 7 7 ALA H H 7 8.391 8.391 7.972 0.419 18842 4533 1 8 . 1 1 8 8 ILE N N 8 125.517 125.517 120.494 5.023 18842 4534 1 8 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.915 0.072 18842 4535 1 8 . 1 1 8 8 ILE C C 8 175.327 175.327 174.322 1.005 18842 4536 1 8 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.212 -1.368 18842 4537 1 8 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.783 -1.194 18842 4538 1 8 . 1 1 8 8 ILE H H 8 9.383 9.383 7.861 1.522 18842 4539 1 8 . 1 1 9 9 PHE N N 9 128.853 128.853 124.865 3.988 18842 4540 1 8 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.667 -0.350 18842 4541 1 8 . 1 1 9 9 PHE C C 9 173.920 173.920 174.326 -0.406 18842 4542 1 8 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.290 -0.172 18842 4543 1 8 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.897 -2.072 18842 4544 1 8 . 1 1 9 9 PHE H H 9 8.467 8.467 9.145 -0.678 18842 4545 1 8 . 1 1 10 10 GLU N N 10 126.396 126.396 125.877 0.519 18842 4546 1 8 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.555 -0.353 18842 4547 1 8 . 1 1 10 10 GLU C C 10 175.226 175.226 175.631 -0.405 18842 4548 1 8 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.199 -0.519 18842 4549 1 8 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.267 -0.573 18842 4550 1 8 . 1 1 10 10 GLU H H 10 8.769 8.769 8.926 -0.157 18842 4551 1 8 . 1 1 11 11 LYS N N 11 105.585 105.585 111.692 -6.107 18842 4552 1 8 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.944 -0.542 18842 4553 1 8 . 1 1 11 11 LYS C C 11 175.596 175.596 175.163 0.433 18842 4554 1 8 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.693 0.755 18842 4555 1 8 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.520 -1.386 18842 4556 1 8 . 1 1 11 11 LYS H H 11 7.931 7.931 8.250 -0.319 18842 4557 1 8 . 1 1 12 12 VAL N N 12 123.819 123.819 121.322 2.497 18842 4558 1 8 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.410 0.007 18842 4559 1 8 . 1 1 12 12 VAL C C 12 175.188 175.188 174.476 0.712 18842 4560 1 8 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.392 1.293 18842 4561 1 8 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.433 -0.254 18842 4562 1 8 . 1 1 12 12 VAL H H 12 7.954 7.954 7.504 0.450 18842 4563 1 8 . 1 1 13 13 SER N N 13 121.981 121.981 122.580 -0.599 18842 4564 1 8 . 1 1 13 13 SER HA H 13 4.624 4.624 4.772 -0.148 18842 4565 1 8 . 1 1 13 13 SER C C 13 175.408 175.408 174.282 1.126 18842 4566 1 8 . 1 1 13 13 SER CA C 13 59.766 59.766 57.569 2.197 18842 4567 1 8 . 1 1 13 13 SER CB C 13 63.591 63.591 63.755 -0.164 18842 4568 1 8 . 1 1 13 13 SER H H 13 8.895 8.895 8.610 0.285 18842 4569 1 8 . 1 1 14 14 GLY N N 14 113.215 113.215 111.384 1.831 18842 4570 1 8 . 1 1 14 14 GLY C C 14 172.790 172.790 172.434 0.356 18842 4571 1 8 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.374 2.163 18842 4572 1 8 . 1 1 14 14 GLY H H 14 8.287 8.287 9.194 -0.907 18842 4573 1 8 . 1 1 15 15 ILE N N 15 123.244 123.244 119.641 3.603 18842 4574 1 8 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.375 0.445 18842 4575 1 8 . 1 1 15 15 ILE C C 15 175.417 175.417 174.145 1.272 18842 4576 1 8 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.451 -0.148 18842 4577 1 8 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.077 1.719 18842 4578 1 8 . 1 1 15 15 ILE H H 15 8.330 8.330 7.613 0.717 18842 4579 1 8 . 1 1 16 16 ILE N N 16 127.640 127.640 128.731 -1.091 18842 4580 1 8 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.300 0.667 18842 4581 1 8 . 1 1 16 16 ILE C C 16 173.248 173.248 173.760 -0.512 18842 4582 1 8 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.090 -0.279 18842 4583 1 8 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.306 2.417 18842 4584 1 8 . 1 1 16 16 ILE H H 16 9.438 9.438 9.249 0.189 18842 4585 1 8 . 1 1 17 17 ALA N N 17 127.760 127.760 130.968 -3.208 18842 4586 1 8 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.846 0.259 18842 4587 1 8 . 1 1 17 17 ALA C C 17 177.510 177.510 175.609 1.901 18842 4588 1 8 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.302 1.143 18842 4589 1 8 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.497 -0.337 18842 4590 1 8 . 1 1 17 17 ALA H H 17 8.968 8.968 8.530 0.438 18842 4591 1 8 . 1 1 18 18 ILE N N 18 122.269 122.269 123.740 -1.471 18842 4592 1 8 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.440 0.151 18842 4593 1 8 . 1 1 18 18 ILE C C 18 174.334 174.334 175.764 -1.430 18842 4594 1 8 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.479 0.177 18842 4595 1 8 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.092 0.972 18842 4596 1 8 . 1 1 18 18 ILE H H 18 8.665 8.665 8.233 0.432 18842 4597 1 8 . 1 1 19 19 ASN N N 19 127.568 127.568 127.065 0.503 18842 4598 1 8 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.795 0.285 18842 4599 1 8 . 1 1 19 19 ASN C C 19 174.784 174.784 175.600 -0.816 18842 4600 1 8 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.578 -0.940 18842 4601 1 8 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.615 0.976 18842 4602 1 8 . 1 1 19 19 ASN H H 19 9.378 9.378 8.940 0.438 18842 4603 1 8 . 1 1 20 20 GLU N N 20 121.587 121.587 124.446 -2.859 18842 4604 1 8 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.274 0.429 18842 4605 1 8 . 1 1 20 20 GLU C C 20 176.152 176.152 176.203 -0.051 18842 4606 1 8 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.138 -1.247 18842 4607 1 8 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.459 1.408 18842 4608 1 8 . 1 1 20 20 GLU H H 20 9.046 9.046 8.389 0.657 18842 4609 1 8 . 1 1 21 21 ASP N N 21 121.077 121.077 119.400 1.677 18842 4610 1 8 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.668 -0.049 18842 4611 1 8 . 1 1 21 21 ASP C C 21 175.688 175.688 176.279 -0.591 18842 4612 1 8 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.722 0.790 18842 4613 1 8 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.293 -0.817 18842 4614 1 8 . 1 1 21 21 ASP H H 21 8.724 8.724 8.252 0.472 18842 4615 1 8 . 1 1 22 22 VAL N N 22 113.035 113.035 115.685 -2.650 18842 4616 1 8 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.248 0.070 18842 4617 1 8 . 1 1 22 22 VAL C C 22 173.445 173.445 176.278 -2.833 18842 4618 1 8 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.620 -1.571 18842 4619 1 8 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.773 1.249 18842 4620 1 8 . 1 1 22 22 VAL H H 22 6.844 6.844 7.368 -0.524 18842 4621 1 8 . 1 1 23 23 SER N N 23 114.945 114.945 115.110 -0.165 18842 4622 1 8 . 1 1 23 23 SER HA H 23 4.735 4.735 4.645 0.090 18842 4623 1 8 . 1 1 23 23 SER CA C 23 53.765 53.765 60.784 -7.019 18842 4624 1 8 . 1 1 23 23 SER CB C 23 64.743 64.743 62.268 2.475 18842 4625 1 8 . 1 1 23 23 SER H H 23 8.046 8.046 8.528 -0.482 18842 4626 1 8 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.680 0.088 18842 4627 1 8 . 1 1 24 24 PRO C C 24 174.807 174.807 175.418 -0.611 18842 4628 1 8 . 1 1 24 24 PRO CA C 24 62.760 62.760 63.255 -0.495 18842 4629 1 8 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.943 2.798 18842 4630 1 8 . 1 1 25 25 ALA N N 25 120.415 120.415 117.492 2.923 18842 4631 1 8 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.172 0.343 18842 4632 1 8 . 1 1 25 25 ALA C C 25 175.790 175.790 176.070 -0.280 18842 4633 1 8 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.816 -0.284 18842 4634 1 8 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.832 1.750 18842 4635 1 8 . 1 1 25 25 ALA H H 25 7.979 7.979 7.929 0.050 18842 4636 1 8 . 1 1 26 26 GLU N N 26 115.395 115.395 121.136 -5.741 18842 4637 1 8 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.022 0.017 18842 4638 1 8 . 1 1 26 26 GLU C C 26 174.619 174.619 175.039 -0.420 18842 4639 1 8 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.461 -0.432 18842 4640 1 8 . 1 1 26 26 GLU CB C 26 34.616 34.616 34.121 0.495 18842 4641 1 8 . 1 1 26 26 GLU H H 26 7.851 7.851 8.217 -0.366 18842 4642 1 8 . 1 1 27 27 LEU N N 27 124.661 124.661 122.750 1.911 18842 4643 1 8 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.891 0.135 18842 4644 1 8 . 1 1 27 27 LEU C C 27 174.740 174.740 174.835 -0.095 18842 4645 1 8 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.188 -0.407 18842 4646 1 8 . 1 1 27 27 LEU CB C 27 45.609 45.609 45.348 0.261 18842 4647 1 8 . 1 1 27 27 LEU H H 27 8.898 8.898 9.344 -0.446 18842 4648 1 8 . 1 1 28 28 THR N N 28 121.731 121.731 124.716 -2.985 18842 4649 1 8 . 1 1 28 28 THR HA H 28 5.207 5.207 5.040 0.167 18842 4650 1 8 . 1 1 28 28 THR C C 28 172.661 172.661 173.670 -1.009 18842 4651 1 8 . 1 1 28 28 THR CA C 28 61.178 61.178 61.927 -0.749 18842 4652 1 8 . 1 1 28 28 THR CB C 28 71.422 71.422 69.259 2.163 18842 4653 1 8 . 1 1 28 28 THR H H 28 9.283 9.283 9.208 0.075 18842 4654 1 8 . 1 1 29 29 TRP N N 29 128.950 128.950 131.293 -2.343 18842 4655 1 8 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.004 0.427 18842 4656 1 8 . 1 1 29 29 TRP C C 29 173.939 173.939 174.209 -0.270 18842 4657 1 8 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.141 -0.359 18842 4658 1 8 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.344 1.833 18842 4659 1 8 . 1 1 29 29 TRP H H 29 9.399 9.399 9.573 -0.174 18842 4660 1 8 . 1 1 30 30 ARG N N 30 126.402 126.402 130.669 -4.267 18842 4661 1 8 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.313 0.516 18842 4662 1 8 . 1 1 30 30 ARG C C 30 174.751 174.751 175.619 -0.868 18842 4663 1 8 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.190 -0.801 18842 4664 1 8 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.056 0.762 18842 4665 1 8 . 1 1 30 30 ARG H H 30 7.613 7.613 9.141 -1.528 18842 4666 1 8 . 1 1 31 31 SER N N 31 118.353 118.353 121.191 -2.838 18842 4667 1 8 . 1 1 31 31 SER HA H 31 4.138 4.138 3.728 0.410 18842 4668 1 8 . 1 1 31 31 SER C C 31 176.426 176.426 175.153 1.273 18842 4669 1 8 . 1 1 31 31 SER CA C 31 58.013 58.013 59.134 -1.121 18842 4670 1 8 . 1 1 31 31 SER CB C 31 64.081 64.081 63.549 0.532 18842 4671 1 8 . 1 1 31 31 SER H H 31 8.086 8.086 8.296 -0.210 18842 4672 1 8 . 1 1 32 32 THR N N 32 119.213 119.213 115.312 3.901 18842 4673 1 8 . 1 1 32 32 THR HA H 32 3.856 3.856 4.172 -0.316 18842 4674 1 8 . 1 1 32 32 THR C C 32 175.664 175.664 175.393 0.271 18842 4675 1 8 . 1 1 32 32 THR CA C 32 66.142 66.142 64.675 1.467 18842 4676 1 8 . 1 1 32 32 THR CB C 32 68.446 68.446 69.090 -0.644 18842 4677 1 8 . 1 1 32 32 THR H H 32 8.556 8.556 8.482 0.074 18842 4678 1 8 . 1 1 33 33 ASP N N 33 117.260 117.260 119.087 -1.827 18842 4679 1 8 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.625 0.002 18842 4680 1 8 . 1 1 33 33 ASP C C 33 177.098 177.098 177.109 -0.011 18842 4681 1 8 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.099 0.268 18842 4682 1 8 . 1 1 33 33 ASP H H 33 8.236 8.236 7.816 0.420 18842 4683 1 8 . 1 1 34 34 GLY N N 34 109.136 109.136 107.484 1.652 18842 4684 1 8 . 1 1 34 34 GLY C C 34 173.778 173.778 174.389 -0.611 18842 4685 1 8 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.041 0.358 18842 4686 1 8 . 1 1 34 34 GLY H H 34 7.935 7.935 8.076 -0.141 18842 4687 1 8 . 1 1 35 35 ASP N N 35 117.913 117.913 120.048 -2.135 18842 4688 1 8 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.629 -0.099 18842 4689 1 8 . 1 1 35 35 ASP C C 35 175.403 175.403 175.871 -0.468 18842 4690 1 8 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.988 -0.177 18842 4691 1 8 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.407 -0.365 18842 4692 1 8 . 1 1 35 35 ASP H H 35 8.271 8.271 8.105 0.166 18842 4693 1 8 . 1 1 36 36 LYS N N 36 120.335 120.335 119.411 0.924 18842 4694 1 8 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.742 0.165 18842 4695 1 8 . 1 1 36 36 LYS C C 36 174.651 174.651 174.093 0.558 18842 4696 1 8 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.159 0.248 18842 4697 1 8 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.576 0.258 18842 4698 1 8 . 1 1 36 36 LYS H H 36 7.769 7.769 7.593 0.176 18842 4699 1 8 . 1 1 37 37 VAL N N 37 121.484 121.484 122.096 -0.612 18842 4700 1 8 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.141 0.174 18842 4701 1 8 . 1 1 37 37 VAL C C 37 175.069 175.069 175.199 -0.130 18842 4702 1 8 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.886 0.212 18842 4703 1 8 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.373 0.685 18842 4704 1 8 . 1 1 37 37 VAL H H 37 8.582 8.582 8.592 -0.010 18842 4705 1 8 . 1 1 38 38 HIS N N 38 125.660 125.660 124.082 1.578 18842 4706 1 8 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.928 0.156 18842 4707 1 8 . 1 1 38 38 HIS C C 38 173.268 173.268 173.231 0.037 18842 4708 1 8 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.071 -0.002 18842 4709 1 8 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.050 0.038 18842 4710 1 8 . 1 1 38 38 HIS H H 38 9.621 9.621 9.138 0.483 18842 4711 1 8 . 1 1 39 39 THR N N 39 124.752 124.752 120.718 4.034 18842 4712 1 8 . 1 1 39 39 THR HA H 39 5.139 5.139 5.164 -0.025 18842 4713 1 8 . 1 1 39 39 THR C C 39 173.208 173.208 173.028 0.180 18842 4714 1 8 . 1 1 39 39 THR CA C 39 61.518 61.518 61.318 0.200 18842 4715 1 8 . 1 1 39 39 THR CB C 39 70.665 70.665 70.945 -0.280 18842 4716 1 8 . 1 1 39 39 THR H H 39 8.527 8.527 7.981 0.546 18842 4717 1 8 . 1 1 40 40 VAL N N 40 126.002 126.002 125.881 0.121 18842 4718 1 8 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.406 -0.482 18842 4719 1 8 . 1 1 40 40 VAL C C 40 174.731 174.731 173.850 0.881 18842 4720 1 8 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.554 -0.204 18842 4721 1 8 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.030 -1.665 18842 4722 1 8 . 1 1 40 40 VAL H H 40 9.388 9.388 9.339 0.049 18842 4723 1 8 . 1 1 41 41 VAL N N 41 129.872 129.872 128.592 1.280 18842 4724 1 8 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.339 -0.355 18842 4725 1 8 . 1 1 41 41 VAL C C 41 179.410 179.410 176.450 2.960 18842 4726 1 8 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.327 2.289 18842 4727 1 8 . 1 1 41 41 VAL CB C 41 30.988 30.988 32.026 -1.038 18842 4728 1 8 . 1 1 41 41 VAL H H 41 9.054 9.054 8.951 0.103 18842 4729 1 8 . 1 1 42 42 LEU N N 42 130.076 130.076 128.924 1.152 18842 4730 1 8 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.187 -0.233 18842 4731 1 8 . 1 1 42 42 LEU C C 42 176.121 176.121 178.228 -2.107 18842 4732 1 8 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.021 1.601 18842 4733 1 8 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.868 -0.045 18842 4734 1 8 . 1 1 42 42 LEU H H 42 9.193 9.193 8.971 0.222 18842 4735 1 8 . 1 1 43 43 SER N N 43 109.703 109.703 111.987 -2.284 18842 4736 1 8 . 1 1 43 43 SER HA H 43 3.944 3.944 3.030 0.914 18842 4737 1 8 . 1 1 43 43 SER C C 43 175.455 175.455 175.218 0.237 18842 4738 1 8 . 1 1 43 43 SER CA C 43 59.442 59.442 60.398 -0.956 18842 4739 1 8 . 1 1 43 43 SER CB C 43 61.299 61.299 63.063 -1.764 18842 4740 1 8 . 1 1 43 43 SER H H 43 6.961 6.961 8.323 -1.362 18842 4741 1 8 . 1 1 44 44 THR N N 44 110.409 110.409 112.279 -1.870 18842 4742 1 8 . 1 1 44 44 THR HA H 44 4.519 4.519 4.203 0.316 18842 4743 1 8 . 1 1 44 44 THR C C 44 173.493 173.493 175.248 -1.755 18842 4744 1 8 . 1 1 44 44 THR CA C 44 62.076 62.076 63.143 -1.067 18842 4745 1 8 . 1 1 44 44 THR CB C 44 69.788 69.788 69.668 0.120 18842 4746 1 8 . 1 1 44 44 THR H H 44 7.657 7.657 7.696 -0.039 18842 4747 1 8 . 1 1 45 45 ILE N N 45 120.972 120.972 124.281 -3.309 18842 4748 1 8 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.010 0.315 18842 4749 1 8 . 1 1 45 45 ILE C C 45 173.882 173.882 176.357 -2.475 18842 4750 1 8 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.703 -3.663 18842 4751 1 8 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.913 0.587 18842 4752 1 8 . 1 1 45 45 ILE H H 45 7.089 7.089 7.879 -0.790 18842 4753 1 8 . 1 1 46 46 ASP N N 46 126.759 126.759 128.487 -1.728 18842 4754 1 8 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.407 0.255 18842 4755 1 8 . 1 1 46 46 ASP C C 46 175.424 175.424 175.866 -0.442 18842 4756 1 8 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.121 -1.104 18842 4757 1 8 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.549 3.034 18842 4758 1 8 . 1 1 46 46 ASP H H 46 9.372 9.372 8.096 1.276 18842 4759 1 8 . 1 1 47 47 LYS N N 47 111.663 111.663 112.796 -1.133 18842 4760 1 8 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.480 0.273 18842 4761 1 8 . 1 1 47 47 LYS C C 47 172.574 172.574 173.610 -1.036 18842 4762 1 8 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.726 -1.111 18842 4763 1 8 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.372 1.824 18842 4764 1 8 . 1 1 47 47 LYS H H 47 7.522 7.522 7.685 -0.163 18842 4765 1 8 . 1 1 48 48 LEU N N 48 123.295 123.295 122.762 0.533 18842 4766 1 8 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.893 0.250 18842 4767 1 8 . 1 1 48 48 LEU C C 48 174.770 174.770 175.529 -0.759 18842 4768 1 8 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.913 -0.977 18842 4769 1 8 . 1 1 48 48 LEU CB C 48 45.580 45.580 45.044 0.536 18842 4770 1 8 . 1 1 48 48 LEU H H 48 8.938 8.938 8.503 0.435 18842 4771 1 8 . 1 1 49 49 GLN N N 49 120.979 120.979 122.071 -1.092 18842 4772 1 8 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.670 0.842 18842 4773 1 8 . 1 1 49 49 GLN C C 49 174.626 174.626 173.633 0.993 18842 4774 1 8 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.774 -1.143 18842 4775 1 8 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.277 0.812 18842 4776 1 8 . 1 1 49 49 GLN H H 49 9.246 9.246 8.833 0.413 18842 4777 1 8 . 1 1 50 50 ALA N N 50 122.440 122.440 125.383 -2.943 18842 4778 1 8 . 1 1 50 50 ALA HA H 50 5.808 5.808 5.130 0.678 18842 4779 1 8 . 1 1 50 50 ALA C C 50 177.277 177.277 177.499 -0.222 18842 4780 1 8 . 1 1 50 50 ALA CA C 50 50.621 50.621 50.925 -0.304 18842 4781 1 8 . 1 1 50 50 ALA CB C 50 24.523 24.523 22.404 2.119 18842 4782 1 8 . 1 1 50 50 ALA H H 50 9.365 9.365 8.585 0.780 18842 4783 1 8 . 1 1 51 51 THR N N 51 114.289 114.289 114.802 -0.513 18842 4784 1 8 . 1 1 51 51 THR HA H 51 4.615 4.615 4.632 -0.017 18842 4785 1 8 . 1 1 51 51 THR CA C 51 59.197 59.197 60.269 -1.072 18842 4786 1 8 . 1 1 51 51 THR CB C 51 67.937 67.937 67.950 -0.013 18842 4787 1 8 . 1 1 51 51 THR H H 51 8.368 8.368 8.241 0.127 18842 4788 1 8 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.281 0.250 18842 4789 1 8 . 1 1 52 52 PRO C C 52 178.380 178.380 178.359 0.021 18842 4790 1 8 . 1 1 52 52 PRO CA C 52 62.375 62.375 63.029 -0.654 18842 4791 1 8 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.010 0.630 18842 4792 1 8 . 1 1 53 53 ALA N N 53 126.235 126.235 122.881 3.354 18842 4793 1 8 . 1 1 53 53 ALA HA H 53 4.030 4.030 3.993 0.037 18842 4794 1 8 . 1 1 53 53 ALA C C 53 177.700 177.700 178.391 -0.691 18842 4795 1 8 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.302 0.493 18842 4796 1 8 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.365 -0.346 18842 4797 1 8 . 1 1 53 53 ALA H H 53 9.122 9.122 8.585 0.537 18842 4798 1 8 . 1 1 54 54 SER N N 54 107.216 107.216 112.093 -4.877 18842 4799 1 8 . 1 1 54 54 SER HA H 54 4.238 4.238 4.309 -0.071 18842 4800 1 8 . 1 1 54 54 SER C C 54 174.957 174.957 174.834 0.123 18842 4801 1 8 . 1 1 54 54 SER CA C 54 58.260 58.260 59.072 -0.812 18842 4802 1 8 . 1 1 54 54 SER CB C 54 63.120 63.120 63.311 -0.191 18842 4803 1 8 . 1 1 54 54 SER H H 54 7.620 7.620 7.993 -0.373 18842 4804 1 8 . 1 1 55 55 SER N N 55 117.523 117.523 117.329 0.194 18842 4805 1 8 . 1 1 55 55 SER HA H 55 4.469 4.469 4.507 -0.038 18842 4806 1 8 . 1 1 55 55 SER C C 55 174.952 174.952 174.007 0.945 18842 4807 1 8 . 1 1 55 55 SER CA C 55 57.500 57.500 58.115 -0.616 18842 4808 1 8 . 1 1 55 55 SER CB C 55 63.801 63.801 63.956 -0.155 18842 4809 1 8 . 1 1 55 55 SER H H 55 7.676 7.676 7.844 -0.168 18842 4810 1 8 . 1 1 56 56 GLU N N 56 124.557 124.557 124.312 0.245 18842 4811 1 8 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.033 0.146 18842 4812 1 8 . 1 1 56 56 GLU C C 56 177.924 177.924 176.362 1.562 18842 4813 1 8 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.599 -0.938 18842 4814 1 8 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.061 -0.232 18842 4815 1 8 . 1 1 56 56 GLU H H 56 8.844 8.844 8.831 0.013 18842 4816 1 8 . 1 1 57 57 LYS N N 57 119.220 119.220 119.198 0.022 18842 4817 1 8 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.394 -0.098 18842 4818 1 8 . 1 1 57 57 LYS C C 57 175.667 175.667 175.561 0.106 18842 4819 1 8 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.451 0.404 18842 4820 1 8 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.709 1.146 18842 4821 1 8 . 1 1 57 57 LYS H H 57 8.259 8.259 7.880 0.379 18842 4822 1 8 . 1 1 58 58 MET N N 58 123.270 123.270 125.439 -2.169 18842 4823 1 8 . 1 1 58 58 MET HA H 58 4.288 4.288 4.679 -0.391 18842 4824 1 8 . 1 1 58 58 MET C C 58 174.107 174.107 175.607 -1.500 18842 4825 1 8 . 1 1 58 58 MET CA C 58 55.067 55.067 54.944 0.123 18842 4826 1 8 . 1 1 58 58 MET CB C 58 35.381 35.381 32.648 2.733 18842 4827 1 8 . 1 1 58 58 MET H H 58 8.811 8.811 8.867 -0.056 18842 4828 1 8 . 1 1 59 59 MET N N 59 120.490 120.490 123.006 -2.516 18842 4829 1 8 . 1 1 59 59 MET HA H 59 5.873 5.873 5.101 0.772 18842 4830 1 8 . 1 1 59 59 MET C C 59 174.459 174.459 174.040 0.419 18842 4831 1 8 . 1 1 59 59 MET CA C 59 54.903 54.903 55.474 -0.571 18842 4832 1 8 . 1 1 59 59 MET CB C 59 39.231 39.231 37.392 1.839 18842 4833 1 8 . 1 1 59 59 MET H H 59 8.395 8.395 9.438 -1.043 18842 4834 1 8 . 1 1 60 60 LEU N N 60 118.105 118.105 122.555 -4.450 18842 4835 1 8 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.865 0.799 18842 4836 1 8 . 1 1 60 60 LEU C C 60 175.664 175.664 175.547 0.117 18842 4837 1 8 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.773 -0.645 18842 4838 1 8 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.925 2.510 18842 4839 1 8 . 1 1 60 60 LEU H H 60 9.103 9.103 9.070 0.033 18842 4840 1 8 . 1 1 61 61 ARG N N 61 120.757 120.757 121.890 -1.133 18842 4841 1 8 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.146 0.312 18842 4842 1 8 . 1 1 61 61 ARG C C 61 173.515 173.515 174.261 -0.746 18842 4843 1 8 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.697 0.028 18842 4844 1 8 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.283 0.849 18842 4845 1 8 . 1 1 61 61 ARG H H 61 9.287 9.287 9.386 -0.100 18842 4846 1 8 . 1 1 62 62 LEU N N 62 127.139 127.139 125.090 2.049 18842 4847 1 8 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.835 0.194 18842 4848 1 8 . 1 1 62 62 LEU C C 62 175.440 175.440 174.887 0.553 18842 4849 1 8 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.660 0.740 18842 4850 1 8 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.851 -2.748 18842 4851 1 8 . 1 1 62 62 LEU H H 62 9.307 9.307 8.678 0.629 18842 4852 1 8 . 1 1 63 63 ILE N N 63 123.292 123.292 125.913 -2.621 18842 4853 1 8 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.237 0.351 18842 4854 1 8 . 1 1 63 63 ILE C C 63 176.319 176.319 175.614 0.705 18842 4855 1 8 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.323 0.064 18842 4856 1 8 . 1 1 63 63 ILE CB C 63 38.121 38.121 37.883 0.238 18842 4857 1 8 . 1 1 63 63 ILE H H 63 8.891 8.891 9.217 -0.326 18842 4858 1 8 . 1 1 64 64 GLY N N 64 115.565 115.565 115.225 0.340 18842 4859 1 8 . 1 1 64 64 GLY C C 64 172.551 172.551 172.987 -0.436 18842 4860 1 8 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.706 1.723 18842 4861 1 8 . 1 1 64 64 GLY H H 64 9.356 9.356 8.420 0.936 18842 4862 1 8 . 1 1 65 65 LYS N N 65 119.442 119.442 119.801 -0.359 18842 4863 1 8 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.263 0.032 18842 4864 1 8 . 1 1 65 65 LYS C C 65 176.205 176.205 176.636 -0.431 18842 4865 1 8 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.151 -0.562 18842 4866 1 8 . 1 1 65 65 LYS CB C 65 34.353 34.353 33.044 1.309 18842 4867 1 8 . 1 1 65 65 LYS H H 65 8.361 8.361 8.221 0.140 18842 4868 1 8 . 1 1 66 66 VAL N N 66 122.131 122.131 122.654 -0.523 18842 4869 1 8 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.137 -0.051 18842 4870 1 8 . 1 1 66 66 VAL C C 66 175.265 175.265 175.866 -0.601 18842 4871 1 8 . 1 1 66 66 VAL CA C 66 62.063 62.063 62.855 -0.792 18842 4872 1 8 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.959 0.305 18842 4873 1 8 . 1 1 66 66 VAL H H 66 8.637 8.637 8.155 0.482 18842 4874 1 8 . 1 1 67 67 ASP N N 67 125.510 125.510 117.271 8.239 18842 4875 1 8 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.445 0.282 18842 4876 1 8 . 1 1 67 67 ASP C C 67 176.708 176.708 175.694 1.014 18842 4877 1 8 . 1 1 67 67 ASP CA C 67 53.140 53.140 55.144 -2.004 18842 4878 1 8 . 1 1 67 67 ASP CB C 67 40.930 40.930 40.875 0.055 18842 4879 1 8 . 1 1 67 67 ASP H H 67 8.460 8.460 8.118 0.342 18842 4880 1 8 . 1 1 68 68 GLU N N 68 124.449 124.449 118.436 6.013 18842 4881 1 8 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.499 -0.411 18842 4882 1 8 . 1 1 68 68 GLU C C 68 177.451 177.451 176.516 0.935 18842 4883 1 8 . 1 1 68 68 GLU CA C 68 57.855 57.855 57.154 0.701 18842 4884 1 8 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.773 -0.096 18842 4885 1 8 . 1 1 68 68 GLU H H 68 8.752 8.752 8.471 0.281 18842 4886 1 8 . 1 1 69 69 SER N N 69 115.515 115.515 114.410 1.105 18842 4887 1 8 . 1 1 69 69 SER HA H 69 4.329 4.329 4.521 -0.192 18842 4888 1 8 . 1 1 69 69 SER C C 69 175.277 175.277 173.801 1.476 18842 4889 1 8 . 1 1 69 69 SER CA C 69 60.139 60.139 58.972 1.167 18842 4890 1 8 . 1 1 69 69 SER CB C 69 63.223 63.223 63.365 -0.142 18842 4891 1 8 . 1 1 69 69 SER H H 69 8.497 8.497 8.390 0.107 18842 4892 1 8 . 1 1 70 70 LYS N N 70 121.733 121.733 120.252 1.481 18842 4893 1 8 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.472 -0.062 18842 4894 1 8 . 1 1 70 70 LYS C C 70 177.124 177.124 175.859 1.265 18842 4895 1 8 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.118 -0.794 18842 4896 1 8 . 1 1 70 70 LYS H H 70 7.689 7.689 7.964 -0.275 18842 4897 1 8 . 1 1 71 71 LYS N N 71 121.012 121.012 118.224 2.788 18842 4898 1 8 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.874 0.533 18842 4899 1 8 . 1 1 71 71 LYS C C 71 176.175 176.175 175.456 0.719 18842 4900 1 8 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.605 -0.993 18842 4901 1 8 . 1 1 71 71 LYS H H 71 7.750 7.750 8.507 -0.757 18842 4902 1 8 . 1 1 72 72 ARG N N 72 122.064 122.064 116.043 6.021 18842 4903 1 8 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.530 0.071 18842 4904 1 8 . 1 1 72 72 ARG C C 72 175.228 175.228 173.677 1.551 18842 4905 1 8 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.598 -0.669 18842 4906 1 8 . 1 1 72 72 ARG CB C 72 32.325 32.325 31.564 0.761 18842 4907 1 8 . 1 1 72 72 ARG H H 72 8.420 8.420 8.766 -0.346 18842 4908 1 8 . 1 1 73 73 LYS N N 73 121.217 121.217 118.457 2.760 18842 4909 1 8 . 1 1 73 73 LYS HA H 73 4.933 4.933 5.074 -0.141 18842 4910 1 8 . 1 1 73 73 LYS C C 73 177.010 177.010 176.853 0.157 18842 4911 1 8 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.566 -0.360 18842 4912 1 8 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.047 1.633 18842 4913 1 8 . 1 1 73 73 LYS H H 73 8.401 8.401 8.475 -0.074 18842 4914 1 8 . 1 1 74 74 ASP N N 74 122.025 122.025 122.104 -0.079 18842 4915 1 8 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.711 -0.001 18842 4916 1 8 . 1 1 74 74 ASP C C 74 177.475 177.475 175.916 1.559 18842 4917 1 8 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.666 -0.910 18842 4918 1 8 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.258 -0.236 18842 4919 1 8 . 1 1 74 74 ASP H H 74 8.582 8.582 8.404 0.178 18842 4920 1 8 . 1 1 75 75 ASN N N 75 116.228 116.228 114.813 1.415 18842 4921 1 8 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.394 0.142 18842 4922 1 8 . 1 1 75 75 ASN C C 75 175.999 175.999 174.796 1.203 18842 4923 1 8 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.797 0.056 18842 4924 1 8 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.060 1.072 18842 4925 1 8 . 1 1 75 75 ASN H H 75 8.433 8.433 8.772 -0.339 18842 4926 1 8 . 1 1 76 76 GLU N N 76 118.958 118.958 117.753 1.205 18842 4927 1 8 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.530 -0.149 18842 4928 1 8 . 1 1 76 76 GLU C C 76 176.556 176.556 177.011 -0.455 18842 4929 1 8 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.411 -0.248 18842 4930 1 8 . 1 1 76 76 GLU H H 76 8.162 8.162 8.463 -0.301 18842 4931 1 8 . 1 1 77 77 GLY N N 77 108.062 108.062 107.210 0.852 18842 4932 1 8 . 1 1 77 77 GLY C C 77 174.247 174.247 173.436 0.811 18842 4933 1 8 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.715 0.495 18842 4934 1 8 . 1 1 77 77 GLY H H 77 8.106 8.106 8.073 0.033 18842 4935 1 8 . 1 1 78 78 ASN N N 78 119.929 119.929 119.530 0.399 18842 4936 1 8 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.791 -0.045 18842 4937 1 8 . 1 1 78 78 ASN C C 78 175.035 175.035 174.554 0.481 18842 4938 1 8 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.481 0.314 18842 4939 1 8 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.026 -0.081 18842 4940 1 8 . 1 1 78 78 ASN H H 78 8.569 8.569 8.215 0.354 18842 4941 1 8 . 1 1 79 79 GLU N N 79 121.658 121.658 123.056 -1.398 18842 4942 1 8 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.588 -0.107 18842 4943 1 8 . 1 1 79 79 GLU C C 79 176.302 176.302 176.027 0.275 18842 4944 1 8 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.968 -0.306 18842 4945 1 8 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.552 1.091 18842 4946 1 8 . 1 1 79 79 GLU H H 79 8.691 8.691 8.707 -0.016 18842 4947 1 8 . 1 1 80 80 VAL N N 80 123.997 123.997 119.075 4.922 18842 4948 1 8 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.640 -0.385 18842 4949 1 8 . 1 1 80 80 VAL C C 80 175.544 175.544 174.073 1.471 18842 4950 1 8 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.449 0.844 18842 4951 1 8 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.836 -1.293 18842 4952 1 8 . 1 1 80 80 VAL H H 80 8.581 8.581 8.974 -0.393 18842 4953 1 8 . 1 1 81 81 VAL N N 81 126.545 126.545 118.636 7.909 18842 4954 1 8 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.599 -0.173 18842 4955 1 8 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.763 -0.212 18842 4956 1 8 . 1 1 81 81 VAL CB C 81 32.894 32.894 30.237 2.657 18842 4957 1 8 . 1 1 81 81 VAL H H 81 8.407 8.407 8.401 0.006 18842 4958 1 8 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.377 0.055 18842 4959 1 8 . 1 1 82 82 PRO C C 82 176.036 176.036 176.404 -0.368 18842 4960 1 8 . 1 1 82 82 PRO CA C 82 62.565 62.565 64.342 -1.777 18842 4961 1 8 . 1 1 83 83 LYS N N 83 121.727 121.727 115.702 6.025 18842 4962 1 8 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.695 -0.144 18842 4963 1 8 . 1 1 83 83 LYS CA C 83 53.779 53.779 53.308 0.471 18842 4964 1 8 . 1 1 83 83 LYS H H 83 8.316 8.316 7.695 0.621 18842 4965 1 8 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.330 -0.037 18842 4966 1 8 . 1 1 84 84 PRO C C 84 176.883 176.883 176.216 0.667 18842 4967 1 8 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.877 -0.401 18842 4968 1 8 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.230 0.211 18842 4969 1 8 . 1 1 85 85 GLN N N 85 121.423 121.423 120.831 0.592 18842 4970 1 8 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.111 0.034 18842 4971 1 8 . 1 1 85 85 GLN C C 85 175.026 175.026 175.478 -0.452 18842 4972 1 8 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.731 -0.690 18842 4973 1 8 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.590 1.219 18842 4974 1 8 . 1 1 85 85 GLN H H 85 8.471 8.471 8.516 -0.045 18842 4975 1 8 . 1 1 86 86 ARG N N 86 120.972 120.972 123.274 -2.302 18842 4976 1 8 . 1 1 86 86 ARG HA H 86 5.187 5.187 5.010 0.177 18842 4977 1 8 . 1 1 86 86 ARG C C 86 175.091 175.091 174.850 0.241 18842 4978 1 8 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.870 0.522 18842 4979 1 8 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.742 -0.313 18842 4980 1 8 . 1 1 86 86 ARG H H 86 8.265 8.265 8.156 0.109 18842 4981 1 8 . 1 1 87 87 HIS N N 87 120.390 120.390 119.438 0.952 18842 4982 1 8 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.709 0.036 18842 4983 1 8 . 1 1 87 87 HIS C C 87 173.730 173.730 173.567 0.163 18842 4984 1 8 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.461 -0.254 18842 4985 1 8 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.837 2.760 18842 4986 1 8 . 1 1 87 87 HIS H H 87 8.590 8.590 8.703 -0.113 18842 4987 1 8 . 1 1 88 88 MET N N 88 126.611 126.611 125.051 1.560 18842 4988 1 8 . 1 1 88 88 MET HA H 88 5.320 5.320 4.424 0.896 18842 4989 1 8 . 1 1 88 88 MET C C 88 173.520 173.520 174.099 -0.579 18842 4990 1 8 . 1 1 88 88 MET CA C 88 54.782 54.782 55.203 -0.421 18842 4991 1 8 . 1 1 88 88 MET CB C 88 35.451 35.451 32.998 2.453 18842 4992 1 8 . 1 1 88 88 MET H H 88 8.716 8.716 8.815 -0.099 18842 4993 1 8 . 1 1 89 89 PHE N N 89 122.328 122.328 125.751 -3.423 18842 4994 1 8 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.534 -0.324 18842 4995 1 8 . 1 1 89 89 PHE C C 89 174.448 174.448 175.751 -1.303 18842 4996 1 8 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.690 0.762 18842 4997 1 8 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.904 2.184 18842 4998 1 8 . 1 1 89 89 PHE H H 89 8.989 8.989 9.254 -0.265 18842 4999 1 8 . 1 1 90 90 SER N N 90 116.094 116.094 116.085 0.009 18842 5000 1 8 . 1 1 90 90 SER HA H 90 5.681 5.681 4.965 0.716 18842 5001 1 8 . 1 1 90 90 SER C C 90 173.094 173.094 173.372 -0.278 18842 5002 1 8 . 1 1 90 90 SER CA C 90 56.645 56.645 56.885 -0.240 18842 5003 1 8 . 1 1 90 90 SER CB C 90 64.824 64.824 64.427 0.397 18842 5004 1 8 . 1 1 90 90 SER H H 90 8.680 8.680 8.428 0.252 18842 5005 1 8 . 1 1 91 91 PHE N N 91 120.812 120.812 125.341 -4.529 18842 5006 1 8 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.809 0.085 18842 5007 1 8 . 1 1 91 91 PHE C C 91 174.500 174.500 175.745 -1.245 18842 5008 1 8 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.365 0.037 18842 5009 1 8 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.396 1.931 18842 5010 1 8 . 1 1 91 91 PHE H H 91 9.050 9.050 8.150 0.900 18842 5011 1 8 . 1 1 92 92 ASN N N 92 115.876 115.876 118.141 -2.265 18842 5012 1 8 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.961 0.141 18842 5013 1 8 . 1 1 92 92 ASN C C 92 174.901 174.901 174.094 0.807 18842 5014 1 8 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.095 -0.888 18842 5015 1 8 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.621 0.243 18842 5016 1 8 . 1 1 92 92 ASN H H 92 9.135 9.135 8.916 0.219 18842 5017 1 8 . 1 1 93 93 ASN N N 93 118.335 118.335 116.080 2.255 18842 5018 1 8 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.944 -0.043 18842 5019 1 8 . 1 1 93 93 ASN C C 93 174.579 174.579 174.554 0.025 18842 5020 1 8 . 1 1 93 93 ASN CA C 93 53.028 53.028 53.302 -0.274 18842 5021 1 8 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.009 0.793 18842 5022 1 8 . 1 1 93 93 ASN H H 93 7.271 7.271 7.923 -0.652 18842 5023 1 8 . 1 1 94 94 ARG N N 94 129.027 129.027 121.821 7.206 18842 5024 1 8 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.285 -0.420 18842 5025 1 8 . 1 1 94 94 ARG C C 94 176.782 176.782 177.308 -0.526 18842 5026 1 8 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.785 0.266 18842 5027 1 8 . 1 1 94 94 ARG H H 94 9.334 9.334 8.826 0.508 18842 5028 1 8 . 1 1 95 95 THR N N 95 115.756 115.756 115.544 0.212 18842 5029 1 8 . 1 1 95 95 THR HA H 95 4.028 4.028 4.073 -0.045 18842 5030 1 8 . 1 1 95 95 THR C C 95 176.742 176.742 176.634 0.108 18842 5031 1 8 . 1 1 95 95 THR CA C 95 66.325 66.325 65.344 0.981 18842 5032 1 8 . 1 1 95 95 THR CB C 95 68.281 68.281 68.450 -0.169 18842 5033 1 8 . 1 1 95 95 THR H H 95 8.000 8.000 8.115 -0.115 18842 5034 1 8 . 1 1 96 96 VAL N N 96 121.852 121.852 122.111 -0.259 18842 5035 1 8 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.778 0.018 18842 5036 1 8 . 1 1 96 96 VAL C C 96 177.587 177.587 177.031 0.556 18842 5037 1 8 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.322 -0.364 18842 5038 1 8 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.896 0.131 18842 5039 1 8 . 1 1 96 96 VAL H H 96 7.609 7.609 8.074 -0.465 18842 5040 1 8 . 1 1 97 97 MET N N 97 117.469 117.469 115.849 1.620 18842 5041 1 8 . 1 1 97 97 MET HA H 97 2.337 2.337 3.261 -0.924 18842 5042 1 8 . 1 1 97 97 MET C C 97 177.257 177.257 177.614 -0.357 18842 5043 1 8 . 1 1 97 97 MET H H 97 7.337 7.337 7.739 -0.402 18842 5044 1 8 . 1 1 98 98 ASP N N 98 118.162 118.162 120.743 -2.581 18842 5045 1 8 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.383 -0.067 18842 5046 1 8 . 1 1 98 98 ASP C C 98 178.771 178.771 178.969 -0.198 18842 5047 1 8 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.413 0.141 18842 5048 1 8 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.263 -0.484 18842 5049 1 8 . 1 1 98 98 ASP H H 98 8.729 8.729 7.906 0.823 18842 5050 1 8 . 1 1 99 99 ASN N N 99 120.303 120.303 118.283 2.020 18842 5051 1 8 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.498 -0.029 18842 5052 1 8 . 1 1 99 99 ASN C C 99 178.220 178.220 176.903 1.317 18842 5053 1 8 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.382 -0.288 18842 5054 1 8 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.469 -0.097 18842 5055 1 8 . 1 1 99 99 ASN H H 99 8.104 8.104 8.346 -0.242 18842 5056 1 8 . 1 1 100 100 ILE N N 100 121.160 121.160 119.982 1.178 18842 5057 1 8 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.988 -0.342 18842 5058 1 8 . 1 1 100 100 ILE C C 100 177.361 177.361 177.695 -0.334 18842 5059 1 8 . 1 1 100 100 ILE CA C 100 62.746 62.746 63.231 -0.485 18842 5060 1 8 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.277 -1.575 18842 5061 1 8 . 1 1 100 100 ILE H H 100 8.020 8.020 7.464 0.556 18842 5062 1 8 . 1 1 101 101 LYS N N 101 120.747 120.747 121.045 -0.298 18842 5063 1 8 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.927 -0.243 18842 5064 1 8 . 1 1 101 101 LYS C C 101 177.127 177.127 179.224 -2.097 18842 5065 1 8 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.128 0.032 18842 5066 1 8 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.322 0.675 18842 5067 1 8 . 1 1 101 101 LYS H H 101 8.907 8.907 8.175 0.732 18842 5068 1 8 . 1 1 102 102 MET N N 102 116.126 116.126 115.517 0.609 18842 5069 1 8 . 1 1 102 102 MET HA H 102 4.245 4.245 4.384 -0.139 18842 5070 1 8 . 1 1 102 102 MET C C 102 178.941 178.941 177.808 1.133 18842 5071 1 8 . 1 1 102 102 MET CA C 102 58.367 58.367 58.248 0.119 18842 5072 1 8 . 1 1 102 102 MET CB C 102 32.055 32.055 32.937 -0.882 18842 5073 1 8 . 1 1 102 102 MET H H 102 8.002 8.002 8.025 -0.023 18842 5074 1 8 . 1 1 103 103 THR N N 103 117.988 117.988 116.456 1.532 18842 5075 1 8 . 1 1 103 103 THR HA H 103 3.861 3.861 4.220 -0.359 18842 5076 1 8 . 1 1 103 103 THR C C 103 176.493 176.493 176.170 0.323 18842 5077 1 8 . 1 1 103 103 THR CA C 103 66.168 66.168 66.220 -0.052 18842 5078 1 8 . 1 1 103 103 THR CB C 103 67.923 67.923 69.679 -1.756 18842 5079 1 8 . 1 1 103 103 THR H H 103 7.694 7.694 7.407 0.287 18842 5080 1 8 . 1 1 104 104 LEU N N 104 119.248 119.248 122.028 -2.780 18842 5081 1 8 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.023 -0.143 18842 5082 1 8 . 1 1 104 104 LEU C C 104 178.072 178.072 178.864 -0.792 18842 5083 1 8 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.522 -0.476 18842 5084 1 8 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.453 1.440 18842 5085 1 8 . 1 1 104 104 LEU H H 104 8.530 8.530 8.847 -0.317 18842 5086 1 8 . 1 1 105 105 GLN N N 105 119.071 119.071 116.895 2.176 18842 5087 1 8 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.948 0.020 18842 5088 1 8 . 1 1 105 105 GLN C C 105 178.675 178.675 178.502 0.173 18842 5089 1 8 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.909 0.164 18842 5090 1 8 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.874 0.094 18842 5091 1 8 . 1 1 105 105 GLN H H 105 8.623 8.623 7.845 0.778 18842 5092 1 8 . 1 1 106 106 GLN N N 106 117.946 117.946 117.580 0.366 18842 5093 1 8 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.076 -0.037 18842 5094 1 8 . 1 1 106 106 GLN C C 106 178.677 178.677 178.585 0.092 18842 5095 1 8 . 1 1 106 106 GLN CA C 106 58.715 58.715 57.991 0.724 18842 5096 1 8 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.247 0.217 18842 5097 1 8 . 1 1 106 106 GLN H H 106 7.581 7.581 7.818 -0.237 18842 5098 1 8 . 1 1 107 107 ILE N N 107 120.013 120.013 119.310 0.703 18842 5099 1 8 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.685 -0.220 18842 5100 1 8 . 1 1 107 107 ILE C C 107 177.586 177.586 177.504 0.082 18842 5101 1 8 . 1 1 107 107 ILE CA C 107 65.482 65.482 63.961 1.521 18842 5102 1 8 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.177 0.962 18842 5103 1 8 . 1 1 107 107 ILE H H 107 7.801 7.801 7.943 -0.142 18842 5104 1 8 . 1 1 108 108 ILE N N 108 117.686 117.686 121.405 -3.719 18842 5105 1 8 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.729 0.055 18842 5106 1 8 . 1 1 108 108 ILE C C 108 179.171 179.171 178.199 0.972 18842 5107 1 8 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.564 0.039 18842 5108 1 8 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.712 0.528 18842 5109 1 8 . 1 1 108 108 ILE H H 108 8.734 8.734 7.973 0.761 18842 5110 1 8 . 1 1 109 109 SER N N 109 114.198 114.198 114.221 -0.023 18842 5111 1 8 . 1 1 109 109 SER HA H 109 4.214 4.214 4.030 0.184 18842 5112 1 8 . 1 1 109 109 SER C C 109 176.381 176.381 176.147 0.234 18842 5113 1 8 . 1 1 109 109 SER CA C 109 61.564 61.564 61.045 0.519 18842 5114 1 8 . 1 1 109 109 SER CB C 109 62.831 62.831 62.739 0.092 18842 5115 1 8 . 1 1 109 109 SER H H 109 7.881 7.881 8.545 -0.664 18842 5116 1 8 . 1 1 110 110 ARG N N 110 121.010 121.010 122.561 -1.551 18842 5117 1 8 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.856 0.281 18842 5118 1 8 . 1 1 110 110 ARG C C 110 178.636 178.636 178.364 0.272 18842 5119 1 8 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.802 -0.426 18842 5120 1 8 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.331 0.519 18842 5121 1 8 . 1 1 110 110 ARG H H 110 7.550 7.550 7.395 0.155 18842 5122 1 8 . 1 1 111 111 TYR N N 111 117.243 117.243 117.563 -0.320 18842 5123 1 8 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.421 0.374 18842 5124 1 8 . 1 1 111 111 TYR C C 111 176.218 176.218 178.289 -2.071 18842 5125 1 8 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.373 -1.799 18842 5126 1 8 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.267 0.225 18842 5127 1 8 . 1 1 111 111 TYR H H 111 7.496 7.496 7.204 0.292 18842 5128 1 8 . 1 1 112 112 LYS N N 112 121.040 121.040 121.371 -0.331 18842 5129 1 8 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.066 0.268 18842 5130 1 8 . 1 1 112 112 LYS C C 112 177.437 177.437 178.362 -0.925 18842 5131 1 8 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.426 -1.796 18842 5132 1 8 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.034 0.556 18842 5133 1 8 . 1 1 112 112 LYS H H 112 7.755 7.755 7.451 0.304 18842 5134 1 8 . 1 1 113 113 ASP N N 113 120.593 120.593 117.831 2.762 18842 5135 1 8 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.423 0.214 18842 5136 1 8 . 1 1 113 113 ASP C C 113 176.587 176.587 177.799 -1.212 18842 5137 1 8 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.775 0.318 18842 5138 1 8 . 1 1 113 113 ASP H H 113 8.246 8.246 7.990 0.256 18842 5139 1 8 . 1 1 114 114 ALA N N 114 123.721 123.721 121.749 1.972 18842 5140 1 8 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.185 0.164 18842 5141 1 8 . 1 1 114 114 ALA C C 114 178.004 178.004 178.405 -0.401 18842 5142 1 8 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.474 -0.588 18842 5143 1 8 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.316 -0.051 18842 5144 1 8 . 1 1 114 114 ALA H H 114 8.038 8.038 7.453 0.585 18842 5145 1 9 . 1 1 2 2 SER N N 2 113.417 113.417 115.489 -2.072 18842 5146 1 9 . 1 1 2 2 SER HA H 2 4.355 4.355 4.500 -0.145 18842 5147 1 9 . 1 1 2 2 SER CA C 2 58.647 58.647 59.463 -0.816 18842 5148 1 9 . 1 1 2 2 SER CB C 2 63.504 63.504 64.601 -1.097 18842 5149 1 9 . 1 1 2 2 SER H H 2 8.096 8.096 8.756 -0.660 18842 5150 1 9 . 1 1 3 3 HIS HA H 3 4.677 4.677 5.063 -0.386 18842 5151 1 9 . 1 1 3 3 HIS C C 3 173.601 173.601 173.605 -0.004 18842 5152 1 9 . 1 1 3 3 HIS CA C 3 56.229 56.229 54.851 1.378 18842 5153 1 9 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.891 2.432 18842 5154 1 9 . 1 1 4 4 SER N N 4 113.555 113.555 113.241 0.314 18842 5155 1 9 . 1 1 4 4 SER HA H 4 5.483 5.483 4.921 0.562 18842 5156 1 9 . 1 1 4 4 SER C C 4 173.624 173.624 172.645 0.979 18842 5157 1 9 . 1 1 4 4 SER CA C 4 56.904 56.904 57.822 -0.918 18842 5158 1 9 . 1 1 4 4 SER CB C 4 65.900 65.900 65.055 0.845 18842 5159 1 9 . 1 1 4 4 SER H H 4 7.865 7.865 7.573 0.292 18842 5160 1 9 . 1 1 5 5 GLY N N 5 107.050 107.050 108.296 -1.246 18842 5161 1 9 . 1 1 5 5 GLY C C 5 170.915 170.915 171.715 -0.800 18842 5162 1 9 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.165 1.252 18842 5163 1 9 . 1 1 5 5 GLY H H 5 8.370 8.370 8.725 -0.355 18842 5164 1 9 . 1 1 6 6 ALA N N 6 125.347 125.347 122.296 3.051 18842 5165 1 9 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.938 0.015 18842 5166 1 9 . 1 1 6 6 ALA C C 6 176.816 176.816 175.567 1.249 18842 5167 1 9 . 1 1 6 6 ALA CA C 6 52.605 52.605 50.960 1.645 18842 5168 1 9 . 1 1 6 6 ALA CB C 6 19.373 19.373 20.188 -0.815 18842 5169 1 9 . 1 1 6 6 ALA H H 6 8.671 8.671 8.293 0.378 18842 5170 1 9 . 1 1 7 7 ALA N N 7 120.077 120.077 125.566 -5.489 18842 5171 1 9 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.609 0.053 18842 5172 1 9 . 1 1 7 7 ALA C C 7 176.697 176.697 175.933 0.764 18842 5173 1 9 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.477 2.191 18842 5174 1 9 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.659 2.389 18842 5175 1 9 . 1 1 7 7 ALA H H 7 8.391 8.391 8.358 0.033 18842 5176 1 9 . 1 1 8 8 ILE N N 8 125.517 125.517 118.831 6.686 18842 5177 1 9 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.012 -0.025 18842 5178 1 9 . 1 1 8 8 ILE C C 8 175.327 175.327 174.980 0.347 18842 5179 1 9 . 1 1 8 8 ILE CA C 8 59.844 59.844 58.222 1.622 18842 5180 1 9 . 1 1 8 8 ILE CB C 8 39.589 39.589 38.873 0.716 18842 5181 1 9 . 1 1 8 8 ILE H H 8 9.383 9.383 8.216 1.167 18842 5182 1 9 . 1 1 9 9 PHE N N 9 128.853 128.853 125.589 3.264 18842 5183 1 9 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.554 -0.237 18842 5184 1 9 . 1 1 9 9 PHE C C 9 173.920 173.920 174.979 -1.059 18842 5185 1 9 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.848 0.270 18842 5186 1 9 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.327 -1.502 18842 5187 1 9 . 1 1 9 9 PHE H H 9 8.467 8.467 9.145 -0.678 18842 5188 1 9 . 1 1 10 10 GLU N N 10 126.396 126.396 127.218 -0.822 18842 5189 1 9 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.605 -0.403 18842 5190 1 9 . 1 1 10 10 GLU C C 10 175.226 175.226 175.323 -0.097 18842 5191 1 9 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.047 -0.367 18842 5192 1 9 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.099 -1.404 18842 5193 1 9 . 1 1 10 10 GLU H H 10 8.769 8.769 9.098 -0.329 18842 5194 1 9 . 1 1 11 11 LYS N N 11 105.585 105.585 111.598 -6.013 18842 5195 1 9 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.938 -0.536 18842 5196 1 9 . 1 1 11 11 LYS C C 11 175.596 175.596 175.038 0.558 18842 5197 1 9 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.690 0.758 18842 5198 1 9 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.404 -1.270 18842 5199 1 9 . 1 1 11 11 LYS H H 11 7.931 7.931 8.344 -0.413 18842 5200 1 9 . 1 1 12 12 VAL N N 12 123.819 123.819 121.963 1.856 18842 5201 1 9 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.373 0.044 18842 5202 1 9 . 1 1 12 12 VAL C C 12 175.188 175.188 175.037 0.151 18842 5203 1 9 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.655 1.030 18842 5204 1 9 . 1 1 12 12 VAL CB C 12 34.179 34.179 33.681 0.498 18842 5205 1 9 . 1 1 12 12 VAL H H 12 7.954 7.954 7.261 0.693 18842 5206 1 9 . 1 1 13 13 SER N N 13 121.981 121.981 124.064 -2.083 18842 5207 1 9 . 1 1 13 13 SER HA H 13 4.624 4.624 4.650 -0.026 18842 5208 1 9 . 1 1 13 13 SER C C 13 175.408 175.408 174.608 0.800 18842 5209 1 9 . 1 1 13 13 SER CA C 13 59.766 59.766 59.836 -0.070 18842 5210 1 9 . 1 1 13 13 SER CB C 13 63.591 63.591 63.843 -0.251 18842 5211 1 9 . 1 1 13 13 SER H H 13 8.895 8.895 8.899 -0.004 18842 5212 1 9 . 1 1 14 14 GLY N N 14 113.215 113.215 108.427 4.788 18842 5213 1 9 . 1 1 14 14 GLY C C 14 172.790 172.790 172.253 0.537 18842 5214 1 9 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.630 0.907 18842 5215 1 9 . 1 1 14 14 GLY H H 14 8.287 8.287 8.250 0.037 18842 5216 1 9 . 1 1 15 15 ILE N N 15 123.244 123.244 119.637 3.607 18842 5217 1 9 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.630 0.190 18842 5218 1 9 . 1 1 15 15 ILE C C 15 175.417 175.417 174.406 1.011 18842 5219 1 9 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.127 0.176 18842 5220 1 9 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.087 1.709 18842 5221 1 9 . 1 1 15 15 ILE H H 15 8.330 8.330 7.863 0.467 18842 5222 1 9 . 1 1 16 16 ILE N N 16 127.640 127.640 128.792 -1.152 18842 5223 1 9 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.310 0.657 18842 5224 1 9 . 1 1 16 16 ILE C C 16 173.248 173.248 173.843 -0.595 18842 5225 1 9 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.129 -0.317 18842 5226 1 9 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.347 2.376 18842 5227 1 9 . 1 1 16 16 ILE H H 16 9.438 9.438 9.000 0.438 18842 5228 1 9 . 1 1 17 17 ALA N N 17 127.760 127.760 130.775 -3.015 18842 5229 1 9 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.866 0.239 18842 5230 1 9 . 1 1 17 17 ALA C C 17 177.510 177.510 175.658 1.852 18842 5231 1 9 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.286 1.159 18842 5232 1 9 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.484 -0.323 18842 5233 1 9 . 1 1 17 17 ALA H H 17 8.968 8.968 8.693 0.275 18842 5234 1 9 . 1 1 18 18 ILE N N 18 122.269 122.269 123.325 -1.056 18842 5235 1 9 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.323 0.268 18842 5236 1 9 . 1 1 18 18 ILE C C 18 174.334 174.334 175.959 -1.625 18842 5237 1 9 . 1 1 18 18 ILE CA C 18 60.656 60.656 61.193 -0.537 18842 5238 1 9 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.502 0.562 18842 5239 1 9 . 1 1 18 18 ILE H H 18 8.665 8.665 8.658 0.007 18842 5240 1 9 . 1 1 19 19 ASN N N 19 127.568 127.568 127.091 0.477 18842 5241 1 9 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.860 0.220 18842 5242 1 9 . 1 1 19 19 ASN C C 19 174.784 174.784 175.049 -0.265 18842 5243 1 9 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.958 -1.320 18842 5244 1 9 . 1 1 19 19 ASN CB C 19 39.591 39.591 39.084 0.507 18842 5245 1 9 . 1 1 19 19 ASN H H 19 9.378 9.378 9.147 0.231 18842 5246 1 9 . 1 1 20 20 GLU N N 20 121.587 121.587 123.568 -1.981 18842 5247 1 9 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.393 0.310 18842 5248 1 9 . 1 1 20 20 GLU C C 20 176.152 176.152 175.523 0.629 18842 5249 1 9 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.981 -1.090 18842 5250 1 9 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.857 1.010 18842 5251 1 9 . 1 1 20 20 GLU H H 20 9.046 9.046 7.984 1.062 18842 5252 1 9 . 1 1 21 21 ASP N N 21 121.077 121.077 117.791 3.286 18842 5253 1 9 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.816 -0.197 18842 5254 1 9 . 1 1 21 21 ASP C C 21 175.688 175.688 176.310 -0.622 18842 5255 1 9 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.359 1.153 18842 5256 1 9 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.607 -1.131 18842 5257 1 9 . 1 1 21 21 ASP H H 21 8.724 8.724 8.158 0.566 18842 5258 1 9 . 1 1 22 22 VAL N N 22 113.035 113.035 116.774 -3.739 18842 5259 1 9 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.436 -0.118 18842 5260 1 9 . 1 1 22 22 VAL C C 22 173.445 173.445 175.728 -2.283 18842 5261 1 9 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.112 -1.063 18842 5262 1 9 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.687 1.335 18842 5263 1 9 . 1 1 22 22 VAL H H 22 6.844 6.844 7.274 -0.430 18842 5264 1 9 . 1 1 23 23 SER N N 23 114.945 114.945 115.180 -0.235 18842 5265 1 9 . 1 1 23 23 SER HA H 23 4.735 4.735 4.522 0.213 18842 5266 1 9 . 1 1 23 23 SER CA C 23 53.765 53.765 60.611 -6.846 18842 5267 1 9 . 1 1 23 23 SER CB C 23 64.743 64.743 62.173 2.570 18842 5268 1 9 . 1 1 23 23 SER H H 23 8.046 8.046 8.493 -0.447 18842 5269 1 9 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.640 0.128 18842 5270 1 9 . 1 1 24 24 PRO C C 24 174.807 174.807 175.779 -0.972 18842 5271 1 9 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.783 0.977 18842 5272 1 9 . 1 1 24 24 PRO CB C 24 34.741 34.741 32.153 2.588 18842 5273 1 9 . 1 1 25 25 ALA N N 25 120.415 120.415 128.765 -8.350 18842 5274 1 9 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.411 0.104 18842 5275 1 9 . 1 1 25 25 ALA C C 25 175.790 175.790 177.314 -1.524 18842 5276 1 9 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.654 -0.121 18842 5277 1 9 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.186 1.397 18842 5278 1 9 . 1 1 25 25 ALA H H 25 7.979 7.979 8.534 -0.555 18842 5279 1 9 . 1 1 26 26 GLU N N 26 115.395 115.395 123.795 -8.400 18842 5280 1 9 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.164 -0.125 18842 5281 1 9 . 1 1 26 26 GLU C C 26 174.619 174.619 174.938 -0.319 18842 5282 1 9 . 1 1 26 26 GLU CA C 26 54.029 54.029 53.562 0.466 18842 5283 1 9 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.070 1.546 18842 5284 1 9 . 1 1 26 26 GLU H H 26 7.851 7.851 8.203 -0.352 18842 5285 1 9 . 1 1 27 27 LEU N N 27 124.661 124.661 122.392 2.269 18842 5286 1 9 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.906 0.120 18842 5287 1 9 . 1 1 27 27 LEU C C 27 174.740 174.740 175.265 -0.525 18842 5288 1 9 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.258 -0.477 18842 5289 1 9 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.720 0.889 18842 5290 1 9 . 1 1 27 27 LEU H H 27 8.898 8.898 9.300 -0.402 18842 5291 1 9 . 1 1 28 28 THR N N 28 121.731 121.731 124.461 -2.730 18842 5292 1 9 . 1 1 28 28 THR HA H 28 5.207 5.207 4.689 0.517 18842 5293 1 9 . 1 1 28 28 THR C C 28 172.661 172.661 173.312 -0.651 18842 5294 1 9 . 1 1 28 28 THR CA C 28 61.178 61.178 62.257 -1.079 18842 5295 1 9 . 1 1 28 28 THR CB C 28 71.422 71.422 69.269 2.152 18842 5296 1 9 . 1 1 28 28 THR H H 28 9.283 9.283 9.225 0.058 18842 5297 1 9 . 1 1 29 29 TRP N N 29 128.950 128.950 131.261 -2.311 18842 5298 1 9 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.039 0.392 18842 5299 1 9 . 1 1 29 29 TRP C C 29 173.939 173.939 174.267 -0.328 18842 5300 1 9 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.105 -0.323 18842 5301 1 9 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.397 1.780 18842 5302 1 9 . 1 1 29 29 TRP H H 29 9.399 9.399 9.488 -0.089 18842 5303 1 9 . 1 1 30 30 ARG N N 30 126.402 126.402 130.998 -4.596 18842 5304 1 9 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.385 0.444 18842 5305 1 9 . 1 1 30 30 ARG C C 30 174.751 174.751 175.598 -0.847 18842 5306 1 9 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.030 -0.641 18842 5307 1 9 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.083 0.735 18842 5308 1 9 . 1 1 30 30 ARG H H 30 7.613 7.613 9.162 -1.549 18842 5309 1 9 . 1 1 31 31 SER N N 31 118.353 118.353 122.049 -3.696 18842 5310 1 9 . 1 1 31 31 SER HA H 31 4.138 4.138 3.748 0.390 18842 5311 1 9 . 1 1 31 31 SER C C 31 176.426 176.426 175.089 1.337 18842 5312 1 9 . 1 1 31 31 SER CA C 31 58.013 58.013 59.272 -1.259 18842 5313 1 9 . 1 1 31 31 SER CB C 31 64.081 64.081 63.520 0.561 18842 5314 1 9 . 1 1 31 31 SER H H 31 8.086 8.086 8.387 -0.301 18842 5315 1 9 . 1 1 32 32 THR N N 32 119.213 119.213 117.041 2.172 18842 5316 1 9 . 1 1 32 32 THR HA H 32 3.856 3.856 4.217 -0.361 18842 5317 1 9 . 1 1 32 32 THR C C 32 175.664 175.664 175.463 0.201 18842 5318 1 9 . 1 1 32 32 THR CA C 32 66.142 66.142 64.693 1.449 18842 5319 1 9 . 1 1 32 32 THR CB C 32 68.446 68.446 68.817 -0.371 18842 5320 1 9 . 1 1 32 32 THR H H 32 8.556 8.556 8.443 0.113 18842 5321 1 9 . 1 1 33 33 ASP N N 33 117.260 117.260 120.226 -2.966 18842 5322 1 9 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.627 0.000 18842 5323 1 9 . 1 1 33 33 ASP C C 33 177.098 177.098 177.017 0.081 18842 5324 1 9 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.961 -0.594 18842 5325 1 9 . 1 1 33 33 ASP H H 33 8.236 8.236 7.804 0.432 18842 5326 1 9 . 1 1 34 34 GLY N N 34 109.136 109.136 107.646 1.490 18842 5327 1 9 . 1 1 34 34 GLY C C 34 173.778 173.778 174.547 -0.769 18842 5328 1 9 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.060 0.339 18842 5329 1 9 . 1 1 34 34 GLY H H 34 7.935 7.935 7.746 0.189 18842 5330 1 9 . 1 1 35 35 ASP N N 35 117.913 117.913 119.677 -1.764 18842 5331 1 9 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.647 -0.117 18842 5332 1 9 . 1 1 35 35 ASP C C 35 175.403 175.403 175.390 0.013 18842 5333 1 9 . 1 1 35 35 ASP CA C 35 54.811 54.811 55.051 -0.240 18842 5334 1 9 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.928 -0.886 18842 5335 1 9 . 1 1 35 35 ASP H H 35 8.271 8.271 8.106 0.165 18842 5336 1 9 . 1 1 36 36 LYS N N 36 120.335 120.335 119.282 1.053 18842 5337 1 9 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.743 0.164 18842 5338 1 9 . 1 1 36 36 LYS C C 36 174.651 174.651 174.051 0.600 18842 5339 1 9 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.358 0.049 18842 5340 1 9 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.799 0.035 18842 5341 1 9 . 1 1 36 36 LYS H H 36 7.769 7.769 7.780 -0.011 18842 5342 1 9 . 1 1 37 37 VAL N N 37 121.484 121.484 122.582 -1.098 18842 5343 1 9 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.113 0.202 18842 5344 1 9 . 1 1 37 37 VAL C C 37 175.069 175.069 174.881 0.188 18842 5345 1 9 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.884 0.214 18842 5346 1 9 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.234 0.823 18842 5347 1 9 . 1 1 37 37 VAL H H 37 8.582 8.582 8.687 -0.105 18842 5348 1 9 . 1 1 38 38 HIS N N 38 125.660 125.660 126.055 -0.395 18842 5349 1 9 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.947 0.137 18842 5350 1 9 . 1 1 38 38 HIS C C 38 173.268 173.268 173.171 0.097 18842 5351 1 9 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.027 0.041 18842 5352 1 9 . 1 1 38 38 HIS CB C 38 34.088 34.088 33.350 0.738 18842 5353 1 9 . 1 1 38 38 HIS H H 38 9.621 9.621 9.097 0.524 18842 5354 1 9 . 1 1 39 39 THR N N 39 124.752 124.752 122.887 1.865 18842 5355 1 9 . 1 1 39 39 THR HA H 39 5.139 5.139 5.230 -0.091 18842 5356 1 9 . 1 1 39 39 THR C C 39 173.208 173.208 173.172 0.036 18842 5357 1 9 . 1 1 39 39 THR CA C 39 61.518 61.518 61.215 0.303 18842 5358 1 9 . 1 1 39 39 THR CB C 39 70.665 70.665 70.380 0.285 18842 5359 1 9 . 1 1 39 39 THR H H 39 8.527 8.527 8.025 0.502 18842 5360 1 9 . 1 1 40 40 VAL N N 40 126.002 126.002 124.721 1.281 18842 5361 1 9 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.309 -0.385 18842 5362 1 9 . 1 1 40 40 VAL C C 40 174.731 174.731 174.336 0.395 18842 5363 1 9 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.463 -0.113 18842 5364 1 9 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.429 -2.064 18842 5365 1 9 . 1 1 40 40 VAL H H 40 9.388 9.388 9.116 0.272 18842 5366 1 9 . 1 1 41 41 VAL N N 41 129.872 129.872 127.662 2.210 18842 5367 1 9 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.282 -0.298 18842 5368 1 9 . 1 1 41 41 VAL C C 41 179.410 179.410 176.285 3.125 18842 5369 1 9 . 1 1 41 41 VAL CA C 41 63.616 63.616 62.273 1.343 18842 5370 1 9 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.483 -0.495 18842 5371 1 9 . 1 1 41 41 VAL H H 41 9.054 9.054 8.737 0.317 18842 5372 1 9 . 1 1 42 42 LEU N N 42 130.076 130.076 128.985 1.091 18842 5373 1 9 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.185 -0.231 18842 5374 1 9 . 1 1 42 42 LEU C C 42 176.121 176.121 178.327 -2.206 18842 5375 1 9 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.985 1.637 18842 5376 1 9 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.343 0.480 18842 5377 1 9 . 1 1 42 42 LEU H H 42 9.193 9.193 8.256 0.937 18842 5378 1 9 . 1 1 43 43 SER N N 43 109.703 109.703 111.787 -2.084 18842 5379 1 9 . 1 1 43 43 SER HA H 43 3.944 3.944 2.364 1.580 18842 5380 1 9 . 1 1 43 43 SER C C 43 175.455 175.455 175.371 0.084 18842 5381 1 9 . 1 1 43 43 SER CA C 43 59.442 59.442 59.849 -0.407 18842 5382 1 9 . 1 1 43 43 SER CB C 43 61.299 61.299 62.600 -1.301 18842 5383 1 9 . 1 1 43 43 SER H H 43 6.961 6.961 8.138 -1.177 18842 5384 1 9 . 1 1 44 44 THR N N 44 110.409 110.409 111.798 -1.389 18842 5385 1 9 . 1 1 44 44 THR HA H 44 4.519 4.519 4.245 0.274 18842 5386 1 9 . 1 1 44 44 THR C C 44 173.493 173.493 175.583 -2.090 18842 5387 1 9 . 1 1 44 44 THR CA C 44 62.076 62.076 62.383 -0.307 18842 5388 1 9 . 1 1 44 44 THR CB C 44 69.788 69.788 70.325 -0.537 18842 5389 1 9 . 1 1 44 44 THR H H 44 7.657 7.657 7.590 0.067 18842 5390 1 9 . 1 1 45 45 ILE N N 45 120.972 120.972 124.896 -3.924 18842 5391 1 9 . 1 1 45 45 ILE HA H 45 4.325 4.325 3.999 0.326 18842 5392 1 9 . 1 1 45 45 ILE C C 45 173.882 173.882 176.093 -2.211 18842 5393 1 9 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.433 -3.393 18842 5394 1 9 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.471 1.029 18842 5395 1 9 . 1 1 45 45 ILE H H 45 7.089 7.089 7.726 -0.637 18842 5396 1 9 . 1 1 46 46 ASP N N 46 126.759 126.759 128.038 -1.279 18842 5397 1 9 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.391 0.271 18842 5398 1 9 . 1 1 46 46 ASP C C 46 175.424 175.424 175.440 -0.016 18842 5399 1 9 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.429 -1.413 18842 5400 1 9 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.821 2.762 18842 5401 1 9 . 1 1 46 46 ASP H H 46 9.372 9.372 8.364 1.008 18842 5402 1 9 . 1 1 47 47 LYS N N 47 111.663 111.663 112.941 -1.278 18842 5403 1 9 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.471 0.282 18842 5404 1 9 . 1 1 47 47 LYS C C 47 172.574 172.574 173.724 -1.150 18842 5405 1 9 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.383 -0.767 18842 5406 1 9 . 1 1 47 47 LYS CB C 47 36.196 36.196 33.925 2.271 18842 5407 1 9 . 1 1 47 47 LYS H H 47 7.522 7.522 7.574 -0.052 18842 5408 1 9 . 1 1 48 48 LEU N N 48 123.295 123.295 120.298 2.997 18842 5409 1 9 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.987 0.156 18842 5410 1 9 . 1 1 48 48 LEU C C 48 174.770 174.770 176.346 -1.576 18842 5411 1 9 . 1 1 48 48 LEU CA C 48 52.936 52.936 54.055 -1.119 18842 5412 1 9 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.617 0.963 18842 5413 1 9 . 1 1 48 48 LEU H H 48 8.938 8.938 8.427 0.511 18842 5414 1 9 . 1 1 49 49 GLN N N 49 120.979 120.979 119.994 0.985 18842 5415 1 9 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.615 0.897 18842 5416 1 9 . 1 1 49 49 GLN C C 49 174.626 174.626 173.955 0.671 18842 5417 1 9 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.251 -1.620 18842 5418 1 9 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.195 0.894 18842 5419 1 9 . 1 1 49 49 GLN H H 49 9.246 9.246 8.657 0.589 18842 5420 1 9 . 1 1 50 50 ALA N N 50 122.440 122.440 125.224 -2.784 18842 5421 1 9 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.857 0.951 18842 5422 1 9 . 1 1 50 50 ALA C C 50 177.277 177.277 176.529 0.748 18842 5423 1 9 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.059 -0.438 18842 5424 1 9 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.503 3.020 18842 5425 1 9 . 1 1 50 50 ALA H H 50 9.365 9.365 8.277 1.088 18842 5426 1 9 . 1 1 51 51 THR N N 51 114.289 114.289 117.573 -3.284 18842 5427 1 9 . 1 1 51 51 THR HA H 51 4.615 4.615 4.326 0.289 18842 5428 1 9 . 1 1 51 51 THR CA C 51 59.197 59.197 61.111 -1.914 18842 5429 1 9 . 1 1 51 51 THR CB C 51 67.937 67.937 68.234 -0.297 18842 5430 1 9 . 1 1 51 51 THR H H 51 8.368 8.368 8.295 0.073 18842 5431 1 9 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.267 0.264 18842 5432 1 9 . 1 1 52 52 PRO C C 52 178.380 178.380 177.809 0.571 18842 5433 1 9 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.798 -0.423 18842 5434 1 9 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.184 0.456 18842 5435 1 9 . 1 1 53 53 ALA N N 53 126.235 126.235 122.438 3.797 18842 5436 1 9 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.086 -0.056 18842 5437 1 9 . 1 1 53 53 ALA C C 53 177.700 177.700 179.105 -1.405 18842 5438 1 9 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.403 0.392 18842 5439 1 9 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.676 -0.657 18842 5440 1 9 . 1 1 53 53 ALA H H 53 9.122 9.122 8.457 0.665 18842 5441 1 9 . 1 1 54 54 SER N N 54 107.216 107.216 110.903 -3.687 18842 5442 1 9 . 1 1 54 54 SER HA H 54 4.238 4.238 4.448 -0.210 18842 5443 1 9 . 1 1 54 54 SER C C 54 174.957 174.957 174.371 0.586 18842 5444 1 9 . 1 1 54 54 SER CA C 54 58.260 58.260 59.397 -1.137 18842 5445 1 9 . 1 1 54 54 SER CB C 54 63.120 63.120 63.483 -0.363 18842 5446 1 9 . 1 1 54 54 SER H H 54 7.620 7.620 7.931 -0.311 18842 5447 1 9 . 1 1 55 55 SER N N 55 117.523 117.523 117.601 -0.078 18842 5448 1 9 . 1 1 55 55 SER HA H 55 4.469 4.469 4.542 -0.073 18842 5449 1 9 . 1 1 55 55 SER C C 55 174.952 174.952 174.348 0.604 18842 5450 1 9 . 1 1 55 55 SER CA C 55 57.500 57.500 58.336 -0.836 18842 5451 1 9 . 1 1 55 55 SER CB C 55 63.801 63.801 63.639 0.161 18842 5452 1 9 . 1 1 55 55 SER H H 55 7.676 7.676 7.878 -0.202 18842 5453 1 9 . 1 1 56 56 GLU N N 56 124.557 124.557 125.159 -0.602 18842 5454 1 9 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.040 0.139 18842 5455 1 9 . 1 1 56 56 GLU C C 56 177.924 177.924 176.358 1.566 18842 5456 1 9 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.439 -0.778 18842 5457 1 9 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.981 -0.152 18842 5458 1 9 . 1 1 56 56 GLU H H 56 8.844 8.844 8.756 0.088 18842 5459 1 9 . 1 1 57 57 LYS N N 57 119.220 119.220 119.171 0.049 18842 5460 1 9 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.356 -0.060 18842 5461 1 9 . 1 1 57 57 LYS C C 57 175.667 175.667 175.644 0.023 18842 5462 1 9 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.604 0.251 18842 5463 1 9 . 1 1 57 57 LYS CB C 57 33.855 33.855 33.002 0.853 18842 5464 1 9 . 1 1 57 57 LYS H H 57 8.259 8.259 7.834 0.425 18842 5465 1 9 . 1 1 58 58 MET N N 58 123.270 123.270 124.809 -1.539 18842 5466 1 9 . 1 1 58 58 MET HA H 58 4.288 4.288 4.608 -0.320 18842 5467 1 9 . 1 1 58 58 MET C C 58 174.107 174.107 175.579 -1.472 18842 5468 1 9 . 1 1 58 58 MET CA C 58 55.067 55.067 55.135 -0.068 18842 5469 1 9 . 1 1 58 58 MET CB C 58 35.381 35.381 32.422 2.959 18842 5470 1 9 . 1 1 58 58 MET H H 58 8.811 8.811 8.869 -0.058 18842 5471 1 9 . 1 1 59 59 MET N N 59 120.490 120.490 122.534 -2.044 18842 5472 1 9 . 1 1 59 59 MET HA H 59 5.873 5.873 5.289 0.584 18842 5473 1 9 . 1 1 59 59 MET C C 59 174.459 174.459 174.194 0.265 18842 5474 1 9 . 1 1 59 59 MET CA C 59 54.903 54.903 55.199 -0.296 18842 5475 1 9 . 1 1 59 59 MET CB C 59 39.231 39.231 37.227 2.004 18842 5476 1 9 . 1 1 59 59 MET H H 59 8.395 8.395 9.389 -0.994 18842 5477 1 9 . 1 1 60 60 LEU N N 60 118.105 118.105 122.851 -4.746 18842 5478 1 9 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.952 0.712 18842 5479 1 9 . 1 1 60 60 LEU C C 60 175.664 175.664 175.461 0.203 18842 5480 1 9 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.918 -0.790 18842 5481 1 9 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.767 2.668 18842 5482 1 9 . 1 1 60 60 LEU H H 60 9.103 9.103 8.939 0.164 18842 5483 1 9 . 1 1 61 61 ARG N N 61 120.757 120.757 121.303 -0.546 18842 5484 1 9 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.082 0.376 18842 5485 1 9 . 1 1 61 61 ARG C C 61 173.515 173.515 174.449 -0.934 18842 5486 1 9 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.739 -0.015 18842 5487 1 9 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.180 1.952 18842 5488 1 9 . 1 1 61 61 ARG H H 61 9.287 9.287 8.559 0.728 18842 5489 1 9 . 1 1 62 62 LEU N N 62 127.139 127.139 123.332 3.807 18842 5490 1 9 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.850 0.179 18842 5491 1 9 . 1 1 62 62 LEU C C 62 175.440 175.440 175.058 0.382 18842 5492 1 9 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.435 0.965 18842 5493 1 9 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.180 -2.077 18842 5494 1 9 . 1 1 62 62 LEU H H 62 9.307 9.307 8.922 0.385 18842 5495 1 9 . 1 1 63 63 ILE N N 63 123.292 123.292 125.986 -2.694 18842 5496 1 9 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.239 0.349 18842 5497 1 9 . 1 1 63 63 ILE C C 63 176.319 176.319 175.533 0.786 18842 5498 1 9 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.543 -0.156 18842 5499 1 9 . 1 1 63 63 ILE CB C 63 38.121 38.121 37.914 0.207 18842 5500 1 9 . 1 1 63 63 ILE H H 63 8.891 8.891 9.110 -0.219 18842 5501 1 9 . 1 1 64 64 GLY N N 64 115.565 115.565 115.235 0.330 18842 5502 1 9 . 1 1 64 64 GLY C C 64 172.551 172.551 172.649 -0.098 18842 5503 1 9 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.393 2.036 18842 5504 1 9 . 1 1 64 64 GLY H H 64 9.356 9.356 8.310 1.046 18842 5505 1 9 . 1 1 65 65 LYS N N 65 119.442 119.442 118.860 0.582 18842 5506 1 9 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.301 -0.006 18842 5507 1 9 . 1 1 65 65 LYS C C 65 176.205 176.205 177.577 -1.372 18842 5508 1 9 . 1 1 65 65 LYS CA C 65 56.588 56.588 55.343 1.245 18842 5509 1 9 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.953 1.400 18842 5510 1 9 . 1 1 65 65 LYS H H 65 8.361 8.361 8.266 0.095 18842 5511 1 9 . 1 1 66 66 VAL N N 66 122.131 122.131 123.600 -1.469 18842 5512 1 9 . 1 1 66 66 VAL HA H 66 4.086 4.086 3.932 0.154 18842 5513 1 9 . 1 1 66 66 VAL C C 66 175.265 175.265 174.958 0.307 18842 5514 1 9 . 1 1 66 66 VAL CA C 66 62.063 62.063 63.038 -0.975 18842 5515 1 9 . 1 1 66 66 VAL CB C 66 33.264 33.264 31.977 1.287 18842 5516 1 9 . 1 1 66 66 VAL H H 66 8.637 8.637 8.564 0.073 18842 5517 1 9 . 1 1 67 67 ASP N N 67 125.510 125.510 116.883 8.627 18842 5518 1 9 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.327 0.400 18842 5519 1 9 . 1 1 67 67 ASP C C 67 176.708 176.708 175.065 1.643 18842 5520 1 9 . 1 1 67 67 ASP CA C 67 53.140 53.140 55.981 -2.841 18842 5521 1 9 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.202 -0.272 18842 5522 1 9 . 1 1 67 67 ASP H H 67 8.460 8.460 7.839 0.621 18842 5523 1 9 . 1 1 68 68 GLU N N 68 124.449 124.449 118.268 6.181 18842 5524 1 9 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.411 -0.323 18842 5525 1 9 . 1 1 68 68 GLU C C 68 177.451 177.451 177.251 0.200 18842 5526 1 9 . 1 1 68 68 GLU CA C 68 57.855 57.855 57.876 -0.021 18842 5527 1 9 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.251 -0.574 18842 5528 1 9 . 1 1 68 68 GLU H H 68 8.752 8.752 8.555 0.198 18842 5529 1 9 . 1 1 69 69 SER N N 69 115.515 115.515 114.318 1.197 18842 5530 1 9 . 1 1 69 69 SER HA H 69 4.329 4.329 4.458 -0.129 18842 5531 1 9 . 1 1 69 69 SER C C 69 175.277 175.277 175.083 0.194 18842 5532 1 9 . 1 1 69 69 SER CA C 69 60.139 60.139 59.533 0.606 18842 5533 1 9 . 1 1 69 69 SER CB C 69 63.223 63.223 63.345 -0.122 18842 5534 1 9 . 1 1 69 69 SER H H 69 8.497 8.497 8.156 0.341 18842 5535 1 9 . 1 1 70 70 LYS N N 70 121.733 121.733 121.389 0.344 18842 5536 1 9 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.206 0.204 18842 5537 1 9 . 1 1 70 70 LYS C C 70 177.124 177.124 176.479 0.645 18842 5538 1 9 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.687 -1.363 18842 5539 1 9 . 1 1 70 70 LYS H H 70 7.689 7.689 8.139 -0.450 18842 5540 1 9 . 1 1 71 71 LYS N N 71 121.012 121.012 120.225 0.787 18842 5541 1 9 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.122 0.285 18842 5542 1 9 . 1 1 71 71 LYS C C 71 176.175 176.175 177.400 -1.225 18842 5543 1 9 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.038 -0.426 18842 5544 1 9 . 1 1 71 71 LYS H H 71 7.750 7.750 8.006 -0.256 18842 5545 1 9 . 1 1 72 72 ARG N N 72 122.064 122.064 125.635 -3.571 18842 5546 1 9 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.154 0.447 18842 5547 1 9 . 1 1 72 72 ARG C C 72 175.228 175.228 175.731 -0.503 18842 5548 1 9 . 1 1 72 72 ARG CA C 72 54.929 54.929 56.907 -1.978 18842 5549 1 9 . 1 1 72 72 ARG CB C 72 32.325 32.325 30.866 1.459 18842 5550 1 9 . 1 1 72 72 ARG H H 72 8.420 8.420 8.450 -0.030 18842 5551 1 9 . 1 1 73 73 LYS N N 73 121.217 121.217 118.286 2.931 18842 5552 1 9 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.496 0.437 18842 5553 1 9 . 1 1 73 73 LYS C C 73 177.010 177.010 176.324 0.686 18842 5554 1 9 . 1 1 73 73 LYS CA C 73 55.205 55.205 54.880 0.325 18842 5555 1 9 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.616 1.064 18842 5556 1 9 . 1 1 73 73 LYS H H 73 8.401 8.401 8.257 0.144 18842 5557 1 9 . 1 1 74 74 ASP N N 74 122.025 122.025 121.754 0.271 18842 5558 1 9 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.811 -0.101 18842 5559 1 9 . 1 1 74 74 ASP C C 74 177.475 177.475 176.351 1.124 18842 5560 1 9 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.510 -0.754 18842 5561 1 9 . 1 1 74 74 ASP CB C 74 41.022 41.022 39.747 1.275 18842 5562 1 9 . 1 1 74 74 ASP H H 74 8.582 8.582 8.432 0.150 18842 5563 1 9 . 1 1 75 75 ASN N N 75 116.228 116.228 117.693 -1.465 18842 5564 1 9 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.375 0.161 18842 5565 1 9 . 1 1 75 75 ASN C C 75 175.999 175.999 175.627 0.372 18842 5566 1 9 . 1 1 75 75 ASN CA C 75 54.853 54.853 55.597 -0.744 18842 5567 1 9 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.219 0.913 18842 5568 1 9 . 1 1 75 75 ASN H H 75 8.433 8.433 8.252 0.181 18842 5569 1 9 . 1 1 76 76 GLU N N 76 118.958 118.958 120.615 -1.657 18842 5570 1 9 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.423 -0.042 18842 5571 1 9 . 1 1 76 76 GLU C C 76 176.556 176.556 176.912 -0.356 18842 5572 1 9 . 1 1 76 76 GLU CA C 76 56.163 56.163 57.717 -1.554 18842 5573 1 9 . 1 1 76 76 GLU H H 76 8.162 8.162 8.071 0.091 18842 5574 1 9 . 1 1 77 77 GLY N N 77 108.062 108.062 106.258 1.804 18842 5575 1 9 . 1 1 77 77 GLY C C 77 174.247 174.247 172.906 1.341 18842 5576 1 9 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.663 0.547 18842 5577 1 9 . 1 1 77 77 GLY H H 77 8.106 8.106 7.950 0.156 18842 5578 1 9 . 1 1 78 78 ASN N N 78 119.929 119.929 118.953 0.976 18842 5579 1 9 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.772 -0.026 18842 5580 1 9 . 1 1 78 78 ASN C C 78 175.035 175.035 174.947 0.088 18842 5581 1 9 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.468 0.327 18842 5582 1 9 . 1 1 78 78 ASN CB C 78 38.945 38.945 38.821 0.124 18842 5583 1 9 . 1 1 78 78 ASN H H 78 8.569 8.569 8.221 0.348 18842 5584 1 9 . 1 1 79 79 GLU N N 79 121.658 121.658 125.375 -3.717 18842 5585 1 9 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.562 -0.081 18842 5586 1 9 . 1 1 79 79 GLU C C 79 176.302 176.302 176.131 0.171 18842 5587 1 9 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.742 -1.081 18842 5588 1 9 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.744 0.899 18842 5589 1 9 . 1 1 79 79 GLU H H 79 8.691 8.691 8.668 0.023 18842 5590 1 9 . 1 1 80 80 VAL N N 80 123.997 123.997 120.274 3.723 18842 5591 1 9 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.538 -0.283 18842 5592 1 9 . 1 1 80 80 VAL C C 80 175.544 175.544 174.040 1.504 18842 5593 1 9 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.320 0.973 18842 5594 1 9 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.217 -0.673 18842 5595 1 9 . 1 1 80 80 VAL H H 80 8.581 8.581 8.193 0.388 18842 5596 1 9 . 1 1 81 81 VAL N N 81 126.545 126.545 118.808 7.737 18842 5597 1 9 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.482 -0.056 18842 5598 1 9 . 1 1 81 81 VAL CA C 81 59.551 59.551 60.030 -0.479 18842 5599 1 9 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.415 0.479 18842 5600 1 9 . 1 1 81 81 VAL H H 81 8.407 8.407 8.147 0.260 18842 5601 1 9 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.433 -0.001 18842 5602 1 9 . 1 1 82 82 PRO C C 82 176.036 176.036 176.530 -0.494 18842 5603 1 9 . 1 1 82 82 PRO CA C 82 62.565 62.565 64.228 -1.663 18842 5604 1 9 . 1 1 83 83 LYS N N 83 121.727 121.727 118.798 2.929 18842 5605 1 9 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.625 -0.074 18842 5606 1 9 . 1 1 83 83 LYS CA C 83 53.779 53.779 53.594 0.185 18842 5607 1 9 . 1 1 83 83 LYS H H 83 8.316 8.316 7.636 0.680 18842 5608 1 9 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.425 -0.132 18842 5609 1 9 . 1 1 84 84 PRO C C 84 176.883 176.883 175.960 0.923 18842 5610 1 9 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.495 -0.019 18842 5611 1 9 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.710 -0.269 18842 5612 1 9 . 1 1 85 85 GLN N N 85 121.423 121.423 120.647 0.776 18842 5613 1 9 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.135 0.010 18842 5614 1 9 . 1 1 85 85 GLN C C 85 175.026 175.026 175.484 -0.458 18842 5615 1 9 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.711 -0.670 18842 5616 1 9 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.565 1.244 18842 5617 1 9 . 1 1 85 85 GLN H H 85 8.471 8.471 8.501 -0.030 18842 5618 1 9 . 1 1 86 86 ARG N N 86 120.972 120.972 122.830 -1.858 18842 5619 1 9 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.953 0.234 18842 5620 1 9 . 1 1 86 86 ARG C C 86 175.091 175.091 174.493 0.598 18842 5621 1 9 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.925 0.467 18842 5622 1 9 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.768 -0.340 18842 5623 1 9 . 1 1 86 86 ARG H H 86 8.265 8.265 8.041 0.224 18842 5624 1 9 . 1 1 87 87 HIS N N 87 120.390 120.390 118.119 2.271 18842 5625 1 9 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.789 -0.044 18842 5626 1 9 . 1 1 87 87 HIS C C 87 173.730 173.730 173.839 -0.109 18842 5627 1 9 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.733 -0.526 18842 5628 1 9 . 1 1 87 87 HIS CB C 87 33.597 33.597 32.728 0.869 18842 5629 1 9 . 1 1 87 87 HIS H H 87 8.590 8.590 8.824 -0.234 18842 5630 1 9 . 1 1 88 88 MET N N 88 126.611 126.611 121.171 5.440 18842 5631 1 9 . 1 1 88 88 MET HA H 88 5.320 5.320 4.537 0.783 18842 5632 1 9 . 1 1 88 88 MET C C 88 173.520 173.520 173.972 -0.452 18842 5633 1 9 . 1 1 88 88 MET CA C 88 54.782 54.782 54.708 0.075 18842 5634 1 9 . 1 1 88 88 MET CB C 88 35.451 35.451 33.622 1.829 18842 5635 1 9 . 1 1 88 88 MET H H 88 8.716 8.716 8.542 0.174 18842 5636 1 9 . 1 1 89 89 PHE N N 89 122.328 122.328 125.838 -3.510 18842 5637 1 9 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.312 -0.102 18842 5638 1 9 . 1 1 89 89 PHE C C 89 174.448 174.448 175.473 -1.025 18842 5639 1 9 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.861 0.591 18842 5640 1 9 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.824 2.264 18842 5641 1 9 . 1 1 89 89 PHE H H 89 8.989 8.989 8.827 0.162 18842 5642 1 9 . 1 1 90 90 SER N N 90 116.094 116.094 117.558 -1.464 18842 5643 1 9 . 1 1 90 90 SER HA H 90 5.681 5.681 4.947 0.734 18842 5644 1 9 . 1 1 90 90 SER C C 90 173.094 173.094 173.172 -0.078 18842 5645 1 9 . 1 1 90 90 SER CA C 90 56.645 56.645 57.979 -1.334 18842 5646 1 9 . 1 1 90 90 SER CB C 90 64.824 64.824 64.847 -0.023 18842 5647 1 9 . 1 1 90 90 SER H H 90 8.680 8.680 8.586 0.094 18842 5648 1 9 . 1 1 91 91 PHE N N 91 120.812 120.812 122.582 -1.770 18842 5649 1 9 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.807 0.087 18842 5650 1 9 . 1 1 91 91 PHE C C 91 174.500 174.500 175.343 -0.843 18842 5651 1 9 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.511 -0.109 18842 5652 1 9 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.372 1.955 18842 5653 1 9 . 1 1 91 91 PHE H H 91 9.050 9.050 8.450 0.600 18842 5654 1 9 . 1 1 92 92 ASN N N 92 115.876 115.876 118.896 -3.020 18842 5655 1 9 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.776 0.326 18842 5656 1 9 . 1 1 92 92 ASN C C 92 174.901 174.901 174.424 0.477 18842 5657 1 9 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.920 -1.713 18842 5658 1 9 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.288 -0.424 18842 5659 1 9 . 1 1 92 92 ASN H H 92 9.135 9.135 8.709 0.426 18842 5660 1 9 . 1 1 93 93 ASN N N 93 118.335 118.335 117.832 0.503 18842 5661 1 9 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.886 0.015 18842 5662 1 9 . 1 1 93 93 ASN C C 93 174.579 174.579 175.971 -1.392 18842 5663 1 9 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.217 0.812 18842 5664 1 9 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.707 1.095 18842 5665 1 9 . 1 1 93 93 ASN H H 93 7.271 7.271 8.213 -0.943 18842 5666 1 9 . 1 1 94 94 ARG N N 94 129.027 129.027 123.685 5.342 18842 5667 1 9 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.375 -0.510 18842 5668 1 9 . 1 1 94 94 ARG C C 94 176.782 176.782 177.596 -0.814 18842 5669 1 9 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.640 0.411 18842 5670 1 9 . 1 1 94 94 ARG H H 94 9.334 9.334 8.822 0.512 18842 5671 1 9 . 1 1 95 95 THR N N 95 115.756 115.756 117.834 -2.078 18842 5672 1 9 . 1 1 95 95 THR HA H 95 4.028 4.028 4.109 -0.081 18842 5673 1 9 . 1 1 95 95 THR C C 95 176.742 176.742 176.622 0.120 18842 5674 1 9 . 1 1 95 95 THR CA C 95 66.325 66.325 65.795 0.530 18842 5675 1 9 . 1 1 95 95 THR CB C 95 68.281 68.281 68.272 0.009 18842 5676 1 9 . 1 1 95 95 THR H H 95 8.000 8.000 7.880 0.120 18842 5677 1 9 . 1 1 96 96 VAL N N 96 121.852 121.852 122.653 -0.801 18842 5678 1 9 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.854 -0.058 18842 5679 1 9 . 1 1 96 96 VAL C C 96 177.587 177.587 177.392 0.195 18842 5680 1 9 . 1 1 96 96 VAL CA C 96 65.958 65.958 65.881 0.077 18842 5681 1 9 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.322 0.705 18842 5682 1 9 . 1 1 96 96 VAL H H 96 7.609 7.609 8.225 -0.616 18842 5683 1 9 . 1 1 97 97 MET N N 97 117.469 117.469 118.600 -1.131 18842 5684 1 9 . 1 1 97 97 MET HA H 97 2.337 2.337 4.297 -1.960 18842 5685 1 9 . 1 1 97 97 MET C C 97 177.257 177.257 177.438 -0.181 18842 5686 1 9 . 1 1 97 97 MET H H 97 7.337 7.337 7.805 -0.468 18842 5687 1 9 . 1 1 98 98 ASP N N 98 118.162 118.162 119.569 -1.407 18842 5688 1 9 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.370 -0.054 18842 5689 1 9 . 1 1 98 98 ASP C C 98 178.771 178.771 178.830 -0.059 18842 5690 1 9 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.914 -0.360 18842 5691 1 9 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.461 -0.682 18842 5692 1 9 . 1 1 98 98 ASP H H 98 8.729 8.729 7.789 0.940 18842 5693 1 9 . 1 1 99 99 ASN N N 99 120.303 120.303 117.917 2.386 18842 5694 1 9 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.647 -0.178 18842 5695 1 9 . 1 1 99 99 ASN C C 99 178.220 178.220 177.335 0.885 18842 5696 1 9 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.873 0.221 18842 5697 1 9 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.922 -0.550 18842 5698 1 9 . 1 1 99 99 ASN H H 99 8.104 8.104 7.844 0.260 18842 5699 1 9 . 1 1 100 100 ILE N N 100 121.160 121.160 121.801 -0.641 18842 5700 1 9 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.886 -0.240 18842 5701 1 9 . 1 1 100 100 ILE C C 100 177.361 177.361 177.731 -0.370 18842 5702 1 9 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.533 -1.787 18842 5703 1 9 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.551 -1.849 18842 5704 1 9 . 1 1 100 100 ILE H H 100 8.020 8.020 8.673 -0.653 18842 5705 1 9 . 1 1 101 101 LYS N N 101 120.747 120.747 120.409 0.338 18842 5706 1 9 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.889 -0.205 18842 5707 1 9 . 1 1 101 101 LYS C C 101 177.127 177.127 178.989 -1.862 18842 5708 1 9 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.248 -0.088 18842 5709 1 9 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.480 0.517 18842 5710 1 9 . 1 1 101 101 LYS H H 101 8.907 8.907 8.445 0.462 18842 5711 1 9 . 1 1 102 102 MET N N 102 116.126 116.126 115.550 0.576 18842 5712 1 9 . 1 1 102 102 MET HA H 102 4.245 4.245 4.521 -0.276 18842 5713 1 9 . 1 1 102 102 MET C C 102 178.941 178.941 178.402 0.539 18842 5714 1 9 . 1 1 102 102 MET CA C 102 58.367 58.367 58.393 -0.026 18842 5715 1 9 . 1 1 102 102 MET CB C 102 32.055 32.055 31.940 0.115 18842 5716 1 9 . 1 1 102 102 MET H H 102 8.002 8.002 7.692 0.310 18842 5717 1 9 . 1 1 103 103 THR N N 103 117.988 117.988 117.567 0.421 18842 5718 1 9 . 1 1 103 103 THR HA H 103 3.861 3.861 4.061 -0.200 18842 5719 1 9 . 1 1 103 103 THR C C 103 176.493 176.493 176.627 -0.134 18842 5720 1 9 . 1 1 103 103 THR CA C 103 66.168 66.168 66.638 -0.469 18842 5721 1 9 . 1 1 103 103 THR CB C 103 67.923 67.923 68.940 -1.017 18842 5722 1 9 . 1 1 103 103 THR H H 103 7.694 7.694 7.622 0.072 18842 5723 1 9 . 1 1 104 104 LEU N N 104 119.248 119.248 121.719 -2.471 18842 5724 1 9 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.044 -0.164 18842 5725 1 9 . 1 1 104 104 LEU C C 104 178.072 178.072 178.401 -0.329 18842 5726 1 9 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.460 -0.414 18842 5727 1 9 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.648 1.246 18842 5728 1 9 . 1 1 104 104 LEU H H 104 8.530 8.530 8.690 -0.160 18842 5729 1 9 . 1 1 105 105 GLN N N 105 119.071 119.071 117.169 1.902 18842 5730 1 9 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.871 0.097 18842 5731 1 9 . 1 1 105 105 GLN C C 105 178.675 178.675 178.338 0.337 18842 5732 1 9 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.773 0.300 18842 5733 1 9 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.774 0.194 18842 5734 1 9 . 1 1 105 105 GLN H H 105 8.623 8.623 7.988 0.635 18842 5735 1 9 . 1 1 106 106 GLN N N 106 117.946 117.946 118.922 -0.976 18842 5736 1 9 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.099 -0.060 18842 5737 1 9 . 1 1 106 106 GLN C C 106 178.677 178.677 178.463 0.214 18842 5738 1 9 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.146 0.569 18842 5739 1 9 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.323 0.141 18842 5740 1 9 . 1 1 106 106 GLN H H 106 7.581 7.581 7.689 -0.108 18842 5741 1 9 . 1 1 107 107 ILE N N 107 120.013 120.013 119.102 0.911 18842 5742 1 9 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.663 -0.198 18842 5743 1 9 . 1 1 107 107 ILE C C 107 177.586 177.586 177.672 -0.086 18842 5744 1 9 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.252 1.230 18842 5745 1 9 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.208 0.931 18842 5746 1 9 . 1 1 107 107 ILE H H 107 7.801 7.801 8.053 -0.252 18842 5747 1 9 . 1 1 108 108 ILE N N 108 117.686 117.686 120.970 -3.284 18842 5748 1 9 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.883 -0.099 18842 5749 1 9 . 1 1 108 108 ILE C C 108 179.171 179.171 178.874 0.297 18842 5750 1 9 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.613 1.990 18842 5751 1 9 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.578 1.663 18842 5752 1 9 . 1 1 108 108 ILE H H 108 8.734 8.734 8.043 0.691 18842 5753 1 9 . 1 1 109 109 SER N N 109 114.198 114.198 114.925 -0.727 18842 5754 1 9 . 1 1 109 109 SER HA H 109 4.214 4.214 4.152 0.062 18842 5755 1 9 . 1 1 109 109 SER C C 109 176.381 176.381 176.614 -0.233 18842 5756 1 9 . 1 1 109 109 SER CA C 109 61.564 61.564 61.347 0.217 18842 5757 1 9 . 1 1 109 109 SER CB C 109 62.831 62.831 62.696 0.135 18842 5758 1 9 . 1 1 109 109 SER H H 109 7.881 7.881 8.187 -0.306 18842 5759 1 9 . 1 1 110 110 ARG N N 110 121.010 121.010 120.707 0.303 18842 5760 1 9 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.878 0.259 18842 5761 1 9 . 1 1 110 110 ARG C C 110 178.636 178.636 177.964 0.672 18842 5762 1 9 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.879 -0.503 18842 5763 1 9 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.828 0.022 18842 5764 1 9 . 1 1 110 110 ARG H H 110 7.550 7.550 7.482 0.068 18842 5765 1 9 . 1 1 111 111 TYR N N 111 117.243 117.243 114.808 2.435 18842 5766 1 9 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.565 0.230 18842 5767 1 9 . 1 1 111 111 TYR C C 111 176.218 176.218 177.201 -0.983 18842 5768 1 9 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.444 -1.870 18842 5769 1 9 . 1 1 111 111 TYR CB C 111 37.492 37.492 38.610 -1.118 18842 5770 1 9 . 1 1 111 111 TYR H H 111 7.496 7.496 7.430 0.066 18842 5771 1 9 . 1 1 112 112 LYS N N 112 121.040 121.040 120.087 0.953 18842 5772 1 9 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.106 0.228 18842 5773 1 9 . 1 1 112 112 LYS C C 112 177.437 177.437 179.385 -1.948 18842 5774 1 9 . 1 1 112 112 LYS CA C 112 57.630 57.630 58.151 -0.521 18842 5775 1 9 . 1 1 112 112 LYS CB C 112 32.590 32.590 31.655 0.935 18842 5776 1 9 . 1 1 112 112 LYS H H 112 7.755 7.755 7.274 0.481 18842 5777 1 9 . 1 1 113 113 ASP N N 113 120.593 120.593 119.870 0.723 18842 5778 1 9 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.408 0.229 18842 5779 1 9 . 1 1 113 113 ASP C C 113 176.587 176.587 177.590 -1.003 18842 5780 1 9 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.463 0.630 18842 5781 1 9 . 1 1 113 113 ASP H H 113 8.246 8.246 8.307 -0.061 18842 5782 1 9 . 1 1 114 114 ALA N N 114 123.721 123.721 120.717 3.004 18842 5783 1 9 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.224 0.125 18842 5784 1 9 . 1 1 114 114 ALA C C 114 178.004 178.004 177.952 0.052 18842 5785 1 9 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.944 -0.058 18842 5786 1 9 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.163 0.102 18842 5787 1 9 . 1 1 114 114 ALA H H 114 8.038 8.038 8.173 -0.135 18842 5788 1 10 . 1 1 2 2 SER N N 2 113.417 113.417 115.857 -2.440 18842 5789 1 10 . 1 1 2 2 SER HA H 2 4.355 4.355 4.503 -0.148 18842 5790 1 10 . 1 1 2 2 SER CA C 2 58.647 58.647 58.215 0.431 18842 5791 1 10 . 1 1 2 2 SER CB C 2 63.504 63.504 63.801 -0.297 18842 5792 1 10 . 1 1 2 2 SER H H 2 8.096 8.096 8.486 -0.390 18842 5793 1 10 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.788 -0.111 18842 5794 1 10 . 1 1 3 3 HIS C C 3 173.601 173.601 173.351 0.250 18842 5795 1 10 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.338 0.891 18842 5796 1 10 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.539 1.784 18842 5797 1 10 . 1 1 4 4 SER N N 4 113.555 113.555 112.179 1.376 18842 5798 1 10 . 1 1 4 4 SER HA H 4 5.483 5.483 5.030 0.453 18842 5799 1 10 . 1 1 4 4 SER C C 4 173.624 173.624 172.296 1.328 18842 5800 1 10 . 1 1 4 4 SER CA C 4 56.904 56.904 58.089 -1.185 18842 5801 1 10 . 1 1 4 4 SER CB C 4 65.900 65.900 65.363 0.537 18842 5802 1 10 . 1 1 4 4 SER H H 4 7.865 7.865 7.825 0.040 18842 5803 1 10 . 1 1 5 5 GLY N N 5 107.050 107.050 106.974 0.076 18842 5804 1 10 . 1 1 5 5 GLY C C 5 170.915 170.915 171.973 -1.058 18842 5805 1 10 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.748 0.668 18842 5806 1 10 . 1 1 5 5 GLY H H 5 8.370 8.370 8.769 -0.399 18842 5807 1 10 . 1 1 6 6 ALA N N 6 125.347 125.347 123.150 2.197 18842 5808 1 10 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.630 0.323 18842 5809 1 10 . 1 1 6 6 ALA C C 6 176.816 176.816 176.182 0.634 18842 5810 1 10 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.279 0.326 18842 5811 1 10 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.972 0.401 18842 5812 1 10 . 1 1 6 6 ALA H H 6 8.671 8.671 8.483 0.188 18842 5813 1 10 . 1 1 7 7 ALA N N 7 120.077 120.077 125.651 -5.574 18842 5814 1 10 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.047 0.615 18842 5815 1 10 . 1 1 7 7 ALA C C 7 176.697 176.697 175.677 1.020 18842 5816 1 10 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.635 2.033 18842 5817 1 10 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.430 2.618 18842 5818 1 10 . 1 1 7 7 ALA H H 7 8.391 8.391 7.869 0.522 18842 5819 1 10 . 1 1 8 8 ILE N N 8 125.517 125.517 118.869 6.648 18842 5820 1 10 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.015 -0.028 18842 5821 1 10 . 1 1 8 8 ILE C C 8 175.327 175.327 174.698 0.629 18842 5822 1 10 . 1 1 8 8 ILE CA C 8 59.844 59.844 57.764 2.080 18842 5823 1 10 . 1 1 8 8 ILE CB C 8 39.589 39.589 39.372 0.217 18842 5824 1 10 . 1 1 8 8 ILE H H 8 9.383 9.383 8.824 0.559 18842 5825 1 10 . 1 1 9 9 PHE N N 9 128.853 128.853 125.573 3.280 18842 5826 1 10 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.744 -0.427 18842 5827 1 10 . 1 1 9 9 PHE C C 9 173.920 173.920 174.723 -0.803 18842 5828 1 10 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.211 -0.093 18842 5829 1 10 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.183 -1.358 18842 5830 1 10 . 1 1 9 9 PHE H H 9 8.467 8.467 8.956 -0.489 18842 5831 1 10 . 1 1 10 10 GLU N N 10 126.396 126.396 127.775 -1.379 18842 5832 1 10 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.662 -0.460 18842 5833 1 10 . 1 1 10 10 GLU C C 10 175.226 175.226 175.809 -0.583 18842 5834 1 10 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.366 -0.686 18842 5835 1 10 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.693 -0.998 18842 5836 1 10 . 1 1 10 10 GLU H H 10 8.769 8.769 9.156 -0.387 18842 5837 1 10 . 1 1 11 11 LYS N N 11 105.585 105.585 111.450 -5.865 18842 5838 1 10 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.881 -0.479 18842 5839 1 10 . 1 1 11 11 LYS C C 11 175.596 175.596 175.292 0.304 18842 5840 1 10 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.584 0.864 18842 5841 1 10 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.617 -1.483 18842 5842 1 10 . 1 1 11 11 LYS H H 11 7.931 7.931 8.248 -0.317 18842 5843 1 10 . 1 1 12 12 VAL N N 12 123.819 123.819 122.362 1.457 18842 5844 1 10 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.338 0.079 18842 5845 1 10 . 1 1 12 12 VAL C C 12 175.188 175.188 174.764 0.424 18842 5846 1 10 . 1 1 12 12 VAL CA C 12 61.685 61.685 59.996 1.689 18842 5847 1 10 . 1 1 12 12 VAL CB C 12 34.179 34.179 33.423 0.756 18842 5848 1 10 . 1 1 12 12 VAL H H 12 7.954 7.954 7.163 0.791 18842 5849 1 10 . 1 1 13 13 SER N N 13 121.981 121.981 124.325 -2.344 18842 5850 1 10 . 1 1 13 13 SER HA H 13 4.624 4.624 4.691 -0.067 18842 5851 1 10 . 1 1 13 13 SER C C 13 175.408 175.408 174.639 0.769 18842 5852 1 10 . 1 1 13 13 SER CA C 13 59.766 59.766 58.417 1.349 18842 5853 1 10 . 1 1 13 13 SER CB C 13 63.591 63.591 64.199 -0.608 18842 5854 1 10 . 1 1 13 13 SER H H 13 8.895 8.895 8.689 0.206 18842 5855 1 10 . 1 1 14 14 GLY N N 14 113.215 113.215 108.492 4.723 18842 5856 1 10 . 1 1 14 14 GLY C C 14 172.790 172.790 172.273 0.517 18842 5857 1 10 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.479 1.058 18842 5858 1 10 . 1 1 14 14 GLY H H 14 8.287 8.287 8.190 0.097 18842 5859 1 10 . 1 1 15 15 ILE N N 15 123.244 123.244 119.842 3.402 18842 5860 1 10 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.385 0.435 18842 5861 1 10 . 1 1 15 15 ILE C C 15 175.417 175.417 174.090 1.327 18842 5862 1 10 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.477 -0.174 18842 5863 1 10 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.248 1.548 18842 5864 1 10 . 1 1 15 15 ILE H H 15 8.330 8.330 7.659 0.671 18842 5865 1 10 . 1 1 16 16 ILE N N 16 127.640 127.640 128.743 -1.103 18842 5866 1 10 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.317 0.650 18842 5867 1 10 . 1 1 16 16 ILE C C 16 173.248 173.248 173.811 -0.563 18842 5868 1 10 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.104 -0.292 18842 5869 1 10 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.397 2.326 18842 5870 1 10 . 1 1 16 16 ILE H H 16 9.438 9.438 9.257 0.181 18842 5871 1 10 . 1 1 17 17 ALA N N 17 127.760 127.760 130.895 -3.135 18842 5872 1 10 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.963 0.142 18842 5873 1 10 . 1 1 17 17 ALA C C 17 177.510 177.510 175.527 1.983 18842 5874 1 10 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.474 0.971 18842 5875 1 10 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.634 -0.473 18842 5876 1 10 . 1 1 17 17 ALA H H 17 8.968 8.968 8.585 0.383 18842 5877 1 10 . 1 1 18 18 ILE N N 18 122.269 122.269 123.431 -1.162 18842 5878 1 10 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.462 0.129 18842 5879 1 10 . 1 1 18 18 ILE C C 18 174.334 174.334 175.722 -1.388 18842 5880 1 10 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.369 0.287 18842 5881 1 10 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.163 0.901 18842 5882 1 10 . 1 1 18 18 ILE H H 18 8.665 8.665 8.457 0.208 18842 5883 1 10 . 1 1 19 19 ASN N N 19 127.568 127.568 127.939 -0.371 18842 5884 1 10 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.702 0.378 18842 5885 1 10 . 1 1 19 19 ASN C C 19 174.784 174.784 175.284 -0.500 18842 5886 1 10 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.194 -1.556 18842 5887 1 10 . 1 1 19 19 ASN CB C 19 39.591 39.591 39.041 0.550 18842 5888 1 10 . 1 1 19 19 ASN H H 19 9.378 9.378 9.130 0.248 18842 5889 1 10 . 1 1 20 20 GLU N N 20 121.587 121.587 124.413 -2.826 18842 5890 1 10 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.364 0.339 18842 5891 1 10 . 1 1 20 20 GLU C C 20 176.152 176.152 175.895 0.257 18842 5892 1 10 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.494 -0.603 18842 5893 1 10 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.701 1.166 18842 5894 1 10 . 1 1 20 20 GLU H H 20 9.046 9.046 8.152 0.894 18842 5895 1 10 . 1 1 21 21 ASP N N 21 121.077 121.077 117.464 3.613 18842 5896 1 10 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.725 -0.106 18842 5897 1 10 . 1 1 21 21 ASP C C 21 175.688 175.688 177.171 -1.483 18842 5898 1 10 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.614 0.898 18842 5899 1 10 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.129 -0.653 18842 5900 1 10 . 1 1 21 21 ASP H H 21 8.724 8.724 8.298 0.426 18842 5901 1 10 . 1 1 22 22 VAL N N 22 113.035 113.035 116.144 -3.109 18842 5902 1 10 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.371 -0.053 18842 5903 1 10 . 1 1 22 22 VAL C C 22 173.445 173.445 175.469 -2.024 18842 5904 1 10 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.727 -1.677 18842 5905 1 10 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.758 1.264 18842 5906 1 10 . 1 1 22 22 VAL H H 22 6.844 6.844 7.285 -0.441 18842 5907 1 10 . 1 1 23 23 SER N N 23 114.945 114.945 114.595 0.350 18842 5908 1 10 . 1 1 23 23 SER HA H 23 4.735 4.735 4.744 -0.009 18842 5909 1 10 . 1 1 23 23 SER CA C 23 53.765 53.765 59.653 -5.888 18842 5910 1 10 . 1 1 23 23 SER CB C 23 64.743 64.743 63.129 1.614 18842 5911 1 10 . 1 1 23 23 SER H H 23 8.046 8.046 8.733 -0.687 18842 5912 1 10 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.755 0.013 18842 5913 1 10 . 1 1 24 24 PRO C C 24 174.807 174.807 175.537 -0.730 18842 5914 1 10 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.710 0.050 18842 5915 1 10 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.965 2.776 18842 5916 1 10 . 1 1 25 25 ALA N N 25 120.415 120.415 118.152 2.263 18842 5917 1 10 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.180 0.335 18842 5918 1 10 . 1 1 25 25 ALA C C 25 175.790 175.790 176.536 -0.746 18842 5919 1 10 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.863 -0.330 18842 5920 1 10 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.583 1.999 18842 5921 1 10 . 1 1 25 25 ALA H H 25 7.979 7.979 8.111 -0.132 18842 5922 1 10 . 1 1 26 26 GLU N N 26 115.395 115.395 122.678 -7.283 18842 5923 1 10 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.318 -0.279 18842 5924 1 10 . 1 1 26 26 GLU C C 26 174.619 174.619 175.188 -0.569 18842 5925 1 10 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.406 -0.377 18842 5926 1 10 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.103 1.513 18842 5927 1 10 . 1 1 26 26 GLU H H 26 7.851 7.851 7.983 -0.132 18842 5928 1 10 . 1 1 27 27 LEU N N 27 124.661 124.661 123.591 1.070 18842 5929 1 10 . 1 1 27 27 LEU HA H 27 5.026 5.026 5.037 -0.011 18842 5930 1 10 . 1 1 27 27 LEU C C 27 174.740 174.740 175.500 -0.760 18842 5931 1 10 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.071 -0.290 18842 5932 1 10 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.400 1.209 18842 5933 1 10 . 1 1 27 27 LEU H H 27 8.898 8.898 9.331 -0.433 18842 5934 1 10 . 1 1 28 28 THR N N 28 121.731 121.731 124.855 -3.124 18842 5935 1 10 . 1 1 28 28 THR HA H 28 5.207 5.207 5.077 0.130 18842 5936 1 10 . 1 1 28 28 THR C C 28 172.661 172.661 173.538 -0.877 18842 5937 1 10 . 1 1 28 28 THR CA C 28 61.178 61.178 62.142 -0.964 18842 5938 1 10 . 1 1 28 28 THR CB C 28 71.422 71.422 69.673 1.749 18842 5939 1 10 . 1 1 28 28 THR H H 28 9.283 9.283 9.236 0.047 18842 5940 1 10 . 1 1 29 29 TRP N N 29 128.950 128.950 131.629 -2.679 18842 5941 1 10 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.043 0.388 18842 5942 1 10 . 1 1 29 29 TRP C C 29 173.939 173.939 174.634 -0.695 18842 5943 1 10 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.107 -0.325 18842 5944 1 10 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.307 1.870 18842 5945 1 10 . 1 1 29 29 TRP H H 29 9.399 9.399 9.476 -0.077 18842 5946 1 10 . 1 1 30 30 ARG N N 30 126.402 126.402 130.327 -3.925 18842 5947 1 10 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.373 0.456 18842 5948 1 10 . 1 1 30 30 ARG C C 30 174.751 174.751 175.892 -1.141 18842 5949 1 10 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.137 -0.748 18842 5950 1 10 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.377 2.441 18842 5951 1 10 . 1 1 30 30 ARG H H 30 7.613 7.613 9.138 -1.525 18842 5952 1 10 . 1 1 31 31 SER N N 31 118.353 118.353 120.385 -2.032 18842 5953 1 10 . 1 1 31 31 SER HA H 31 4.138 4.138 3.551 0.587 18842 5954 1 10 . 1 1 31 31 SER C C 31 176.426 176.426 175.329 1.097 18842 5955 1 10 . 1 1 31 31 SER CA C 31 58.013 58.013 59.206 -1.193 18842 5956 1 10 . 1 1 31 31 SER CB C 31 64.081 64.081 63.578 0.503 18842 5957 1 10 . 1 1 31 31 SER H H 31 8.086 8.086 8.210 -0.124 18842 5958 1 10 . 1 1 32 32 THR N N 32 119.213 119.213 118.616 0.597 18842 5959 1 10 . 1 1 32 32 THR HA H 32 3.856 3.856 4.179 -0.323 18842 5960 1 10 . 1 1 32 32 THR C C 32 175.664 175.664 175.525 0.139 18842 5961 1 10 . 1 1 32 32 THR CA C 32 66.142 66.142 64.740 1.402 18842 5962 1 10 . 1 1 32 32 THR CB C 32 68.446 68.446 68.804 -0.358 18842 5963 1 10 . 1 1 32 32 THR H H 32 8.556 8.556 8.254 0.302 18842 5964 1 10 . 1 1 33 33 ASP N N 33 117.260 117.260 120.464 -3.204 18842 5965 1 10 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.595 0.032 18842 5966 1 10 . 1 1 33 33 ASP C C 33 177.098 177.098 177.030 0.068 18842 5967 1 10 . 1 1 33 33 ASP CA C 33 54.367 54.367 55.028 -0.661 18842 5968 1 10 . 1 1 33 33 ASP H H 33 8.236 8.236 7.799 0.437 18842 5969 1 10 . 1 1 34 34 GLY N N 34 109.136 109.136 107.713 1.423 18842 5970 1 10 . 1 1 34 34 GLY C C 34 173.778 173.778 174.296 -0.518 18842 5971 1 10 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.012 0.387 18842 5972 1 10 . 1 1 34 34 GLY H H 34 7.935 7.935 7.816 0.119 18842 5973 1 10 . 1 1 35 35 ASP N N 35 117.913 117.913 119.478 -1.565 18842 5974 1 10 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.653 -0.123 18842 5975 1 10 . 1 1 35 35 ASP C C 35 175.403 175.403 175.089 0.314 18842 5976 1 10 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.873 -0.062 18842 5977 1 10 . 1 1 35 35 ASP CB C 35 41.042 41.042 42.131 -1.089 18842 5978 1 10 . 1 1 35 35 ASP H H 35 8.271 8.271 8.154 0.117 18842 5979 1 10 . 1 1 36 36 LYS N N 36 120.335 120.335 118.703 1.632 18842 5980 1 10 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.758 0.149 18842 5981 1 10 . 1 1 36 36 LYS C C 36 174.651 174.651 174.428 0.223 18842 5982 1 10 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.535 -0.128 18842 5983 1 10 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.841 -0.007 18842 5984 1 10 . 1 1 36 36 LYS H H 36 7.769 7.769 7.734 0.035 18842 5985 1 10 . 1 1 37 37 VAL N N 37 121.484 121.484 121.326 0.158 18842 5986 1 10 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.198 0.117 18842 5987 1 10 . 1 1 37 37 VAL C C 37 175.069 175.069 175.210 -0.141 18842 5988 1 10 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.403 -0.305 18842 5989 1 10 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.458 0.600 18842 5990 1 10 . 1 1 37 37 VAL H H 37 8.582 8.582 8.563 0.019 18842 5991 1 10 . 1 1 38 38 HIS N N 38 125.660 125.660 123.665 1.995 18842 5992 1 10 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.995 0.088 18842 5993 1 10 . 1 1 38 38 HIS C C 38 173.268 173.268 173.265 0.003 18842 5994 1 10 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.982 0.086 18842 5995 1 10 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.204 -0.116 18842 5996 1 10 . 1 1 38 38 HIS H H 38 9.621 9.621 8.890 0.731 18842 5997 1 10 . 1 1 39 39 THR N N 39 124.752 124.752 120.683 4.069 18842 5998 1 10 . 1 1 39 39 THR HA H 39 5.139 5.139 5.190 -0.051 18842 5999 1 10 . 1 1 39 39 THR C C 39 173.208 173.208 172.985 0.223 18842 6000 1 10 . 1 1 39 39 THR CA C 39 61.518 61.518 61.375 0.143 18842 6001 1 10 . 1 1 39 39 THR CB C 39 70.665 70.665 71.101 -0.436 18842 6002 1 10 . 1 1 39 39 THR H H 39 8.527 8.527 8.078 0.449 18842 6003 1 10 . 1 1 40 40 VAL N N 40 126.002 126.002 125.941 0.061 18842 6004 1 10 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.353 -0.429 18842 6005 1 10 . 1 1 40 40 VAL C C 40 174.731 174.731 174.277 0.454 18842 6006 1 10 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.498 -0.148 18842 6007 1 10 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.535 -2.170 18842 6008 1 10 . 1 1 40 40 VAL H H 40 9.388 9.388 9.114 0.274 18842 6009 1 10 . 1 1 41 41 VAL N N 41 129.872 129.872 128.615 1.257 18842 6010 1 10 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.260 -0.276 18842 6011 1 10 . 1 1 41 41 VAL C C 41 179.410 179.410 176.932 2.478 18842 6012 1 10 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.309 2.307 18842 6013 1 10 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.087 -0.099 18842 6014 1 10 . 1 1 41 41 VAL H H 41 9.054 9.054 8.739 0.315 18842 6015 1 10 . 1 1 42 42 LEU N N 42 130.076 130.076 129.633 0.443 18842 6016 1 10 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.113 -0.159 18842 6017 1 10 . 1 1 42 42 LEU C C 42 176.121 176.121 178.665 -2.544 18842 6018 1 10 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.193 1.429 18842 6019 1 10 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.652 0.171 18842 6020 1 10 . 1 1 42 42 LEU H H 42 9.193 9.193 8.271 0.922 18842 6021 1 10 . 1 1 43 43 SER N N 43 109.703 109.703 111.843 -2.140 18842 6022 1 10 . 1 1 43 43 SER HA H 43 3.944 3.944 2.297 1.647 18842 6023 1 10 . 1 1 43 43 SER C C 43 175.455 175.455 175.185 0.270 18842 6024 1 10 . 1 1 43 43 SER CA C 43 59.442 59.442 60.285 -0.843 18842 6025 1 10 . 1 1 43 43 SER CB C 43 61.299 61.299 62.956 -1.657 18842 6026 1 10 . 1 1 43 43 SER H H 43 6.961 6.961 7.762 -0.801 18842 6027 1 10 . 1 1 44 44 THR N N 44 110.409 110.409 112.131 -1.722 18842 6028 1 10 . 1 1 44 44 THR HA H 44 4.519 4.519 4.276 0.243 18842 6029 1 10 . 1 1 44 44 THR C C 44 173.493 173.493 175.585 -2.092 18842 6030 1 10 . 1 1 44 44 THR CA C 44 62.076 62.076 62.310 -0.235 18842 6031 1 10 . 1 1 44 44 THR CB C 44 69.788 69.788 70.031 -0.243 18842 6032 1 10 . 1 1 44 44 THR H H 44 7.657 7.657 7.663 -0.006 18842 6033 1 10 . 1 1 45 45 ILE N N 45 120.972 120.972 125.735 -4.763 18842 6034 1 10 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.146 0.179 18842 6035 1 10 . 1 1 45 45 ILE C C 45 173.882 173.882 177.496 -3.614 18842 6036 1 10 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.798 -3.758 18842 6037 1 10 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.518 0.982 18842 6038 1 10 . 1 1 45 45 ILE H H 45 7.089 7.089 7.830 -0.741 18842 6039 1 10 . 1 1 46 46 ASP N N 46 126.759 126.759 128.807 -2.048 18842 6040 1 10 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.478 0.184 18842 6041 1 10 . 1 1 46 46 ASP C C 46 175.424 175.424 175.432 -0.008 18842 6042 1 10 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.024 -1.007 18842 6043 1 10 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.612 2.971 18842 6044 1 10 . 1 1 46 46 ASP H H 46 9.372 9.372 8.507 0.865 18842 6045 1 10 . 1 1 47 47 LYS N N 47 111.663 111.663 114.065 -2.402 18842 6046 1 10 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.427 0.326 18842 6047 1 10 . 1 1 47 47 LYS C C 47 172.574 172.574 173.856 -1.282 18842 6048 1 10 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.737 -1.122 18842 6049 1 10 . 1 1 47 47 LYS CB C 47 36.196 36.196 33.750 2.446 18842 6050 1 10 . 1 1 47 47 LYS H H 47 7.522 7.522 7.260 0.262 18842 6051 1 10 . 1 1 48 48 LEU N N 48 123.295 123.295 119.317 3.978 18842 6052 1 10 . 1 1 48 48 LEU HA H 48 5.143 5.143 5.268 -0.125 18842 6053 1 10 . 1 1 48 48 LEU C C 48 174.770 174.770 176.477 -1.707 18842 6054 1 10 . 1 1 48 48 LEU CA C 48 52.936 52.936 52.950 -0.014 18842 6055 1 10 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.087 1.492 18842 6056 1 10 . 1 1 48 48 LEU H H 48 8.938 8.938 8.296 0.642 18842 6057 1 10 . 1 1 49 49 GLN N N 49 120.979 120.979 119.960 1.019 18842 6058 1 10 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.643 0.869 18842 6059 1 10 . 1 1 49 49 GLN C C 49 174.626 174.626 174.263 0.363 18842 6060 1 10 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.959 -1.328 18842 6061 1 10 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.180 0.909 18842 6062 1 10 . 1 1 49 49 GLN H H 49 9.246 9.246 9.222 0.024 18842 6063 1 10 . 1 1 50 50 ALA N N 50 122.440 122.440 127.098 -4.658 18842 6064 1 10 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.674 1.134 18842 6065 1 10 . 1 1 50 50 ALA C C 50 177.277 177.277 176.720 0.557 18842 6066 1 10 . 1 1 50 50 ALA CA C 50 50.621 50.621 50.855 -0.234 18842 6067 1 10 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.588 2.935 18842 6068 1 10 . 1 1 50 50 ALA H H 50 9.365 9.365 8.453 0.912 18842 6069 1 10 . 1 1 51 51 THR N N 51 114.289 114.289 116.759 -2.470 18842 6070 1 10 . 1 1 51 51 THR HA H 51 4.615 4.615 4.590 0.025 18842 6071 1 10 . 1 1 51 51 THR CA C 51 59.197 59.197 59.694 -0.497 18842 6072 1 10 . 1 1 51 51 THR CB C 51 67.937 67.937 68.303 -0.366 18842 6073 1 10 . 1 1 51 51 THR H H 51 8.368 8.368 8.171 0.197 18842 6074 1 10 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.294 0.237 18842 6075 1 10 . 1 1 52 52 PRO C C 52 178.380 178.380 178.636 -0.256 18842 6076 1 10 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.652 -0.277 18842 6077 1 10 . 1 1 52 52 PRO CB C 52 32.640 32.640 31.999 0.641 18842 6078 1 10 . 1 1 53 53 ALA N N 53 126.235 126.235 122.496 3.739 18842 6079 1 10 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.023 0.007 18842 6080 1 10 . 1 1 53 53 ALA C C 53 177.700 177.700 178.637 -0.937 18842 6081 1 10 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.180 0.615 18842 6082 1 10 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.381 -0.362 18842 6083 1 10 . 1 1 53 53 ALA H H 53 9.122 9.122 8.613 0.509 18842 6084 1 10 . 1 1 54 54 SER N N 54 107.216 107.216 111.966 -4.750 18842 6085 1 10 . 1 1 54 54 SER HA H 54 4.238 4.238 4.340 -0.102 18842 6086 1 10 . 1 1 54 54 SER C C 54 174.957 174.957 174.759 0.198 18842 6087 1 10 . 1 1 54 54 SER CA C 54 58.260 58.260 59.230 -0.970 18842 6088 1 10 . 1 1 54 54 SER CB C 54 63.120 63.120 63.371 -0.251 18842 6089 1 10 . 1 1 54 54 SER H H 54 7.620 7.620 8.017 -0.397 18842 6090 1 10 . 1 1 55 55 SER N N 55 117.523 117.523 116.746 0.777 18842 6091 1 10 . 1 1 55 55 SER HA H 55 4.469 4.469 4.511 -0.042 18842 6092 1 10 . 1 1 55 55 SER C C 55 174.952 174.952 173.961 0.991 18842 6093 1 10 . 1 1 55 55 SER CA C 55 57.500 57.500 58.481 -0.981 18842 6094 1 10 . 1 1 55 55 SER CB C 55 63.801 63.801 64.130 -0.329 18842 6095 1 10 . 1 1 55 55 SER H H 55 7.676 7.676 7.737 -0.061 18842 6096 1 10 . 1 1 56 56 GLU N N 56 124.557 124.557 124.581 -0.024 18842 6097 1 10 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.038 0.141 18842 6098 1 10 . 1 1 56 56 GLU C C 56 177.924 177.924 176.171 1.753 18842 6099 1 10 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.437 -0.776 18842 6100 1 10 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.809 0.020 18842 6101 1 10 . 1 1 56 56 GLU H H 56 8.844 8.844 8.813 0.030 18842 6102 1 10 . 1 1 57 57 LYS N N 57 119.220 119.220 119.363 -0.143 18842 6103 1 10 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.471 -0.175 18842 6104 1 10 . 1 1 57 57 LYS C C 57 175.667 175.667 175.504 0.163 18842 6105 1 10 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.797 1.058 18842 6106 1 10 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.287 1.568 18842 6107 1 10 . 1 1 57 57 LYS H H 57 8.259 8.259 7.924 0.335 18842 6108 1 10 . 1 1 58 58 MET N N 58 123.270 123.270 125.406 -2.136 18842 6109 1 10 . 1 1 58 58 MET HA H 58 4.288 4.288 4.731 -0.443 18842 6110 1 10 . 1 1 58 58 MET C C 58 174.107 174.107 175.560 -1.453 18842 6111 1 10 . 1 1 58 58 MET CA C 58 55.067 55.067 55.089 -0.022 18842 6112 1 10 . 1 1 58 58 MET CB C 58 35.381 35.381 32.526 2.855 18842 6113 1 10 . 1 1 58 58 MET H H 58 8.811 8.811 8.877 -0.066 18842 6114 1 10 . 1 1 59 59 MET N N 59 120.490 120.490 122.836 -2.346 18842 6115 1 10 . 1 1 59 59 MET HA H 59 5.873 5.873 4.974 0.899 18842 6116 1 10 . 1 1 59 59 MET C C 59 174.459 174.459 174.227 0.232 18842 6117 1 10 . 1 1 59 59 MET CA C 59 54.903 54.903 55.135 -0.232 18842 6118 1 10 . 1 1 59 59 MET CB C 59 39.231 39.231 36.881 2.350 18842 6119 1 10 . 1 1 59 59 MET H H 59 8.395 8.395 9.309 -0.914 18842 6120 1 10 . 1 1 60 60 LEU N N 60 118.105 118.105 123.460 -5.355 18842 6121 1 10 . 1 1 60 60 LEU HA H 60 5.664 5.664 5.115 0.549 18842 6122 1 10 . 1 1 60 60 LEU C C 60 175.664 175.664 175.537 0.127 18842 6123 1 10 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.764 -0.636 18842 6124 1 10 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.143 2.292 18842 6125 1 10 . 1 1 60 60 LEU H H 60 9.103 9.103 8.254 0.849 18842 6126 1 10 . 1 1 61 61 ARG N N 61 120.757 120.757 122.279 -1.522 18842 6127 1 10 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.364 0.094 18842 6128 1 10 . 1 1 61 61 ARG C C 61 173.515 173.515 174.401 -0.886 18842 6129 1 10 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.309 0.415 18842 6130 1 10 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.266 0.866 18842 6131 1 10 . 1 1 61 61 ARG H H 61 9.287 9.287 9.238 0.049 18842 6132 1 10 . 1 1 62 62 LEU N N 62 127.139 127.139 123.907 3.232 18842 6133 1 10 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.792 0.237 18842 6134 1 10 . 1 1 62 62 LEU C C 62 175.440 175.440 174.821 0.619 18842 6135 1 10 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.709 0.691 18842 6136 1 10 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.787 -2.684 18842 6137 1 10 . 1 1 62 62 LEU H H 62 9.307 9.307 8.853 0.454 18842 6138 1 10 . 1 1 63 63 ILE N N 63 123.292 123.292 125.719 -2.427 18842 6139 1 10 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.453 0.135 18842 6140 1 10 . 1 1 63 63 ILE C C 63 176.319 176.319 175.845 0.474 18842 6141 1 10 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.023 0.364 18842 6142 1 10 . 1 1 63 63 ILE CB C 63 38.121 38.121 39.170 -1.049 18842 6143 1 10 . 1 1 63 63 ILE H H 63 8.891 8.891 9.212 -0.321 18842 6144 1 10 . 1 1 64 64 GLY N N 64 115.565 115.565 110.060 5.505 18842 6145 1 10 . 1 1 64 64 GLY C C 64 172.551 172.551 172.763 -0.212 18842 6146 1 10 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.246 2.183 18842 6147 1 10 . 1 1 64 64 GLY H H 64 9.356 9.356 7.697 1.659 18842 6148 1 10 . 1 1 65 65 LYS N N 65 119.442 119.442 120.349 -0.907 18842 6149 1 10 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.355 -0.060 18842 6150 1 10 . 1 1 65 65 LYS C C 65 176.205 176.205 176.372 -0.167 18842 6151 1 10 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.412 0.176 18842 6152 1 10 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.553 1.800 18842 6153 1 10 . 1 1 65 65 LYS H H 65 8.361 8.361 8.272 0.089 18842 6154 1 10 . 1 1 66 66 VAL N N 66 122.131 122.131 126.498 -4.367 18842 6155 1 10 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.253 -0.167 18842 6156 1 10 . 1 1 66 66 VAL C C 66 175.265 175.265 174.635 0.630 18842 6157 1 10 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.419 0.644 18842 6158 1 10 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.224 0.040 18842 6159 1 10 . 1 1 66 66 VAL H H 66 8.637 8.637 8.319 0.318 18842 6160 1 10 . 1 1 67 67 ASP N N 67 125.510 125.510 117.943 7.567 18842 6161 1 10 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.783 -0.056 18842 6162 1 10 . 1 1 67 67 ASP C C 67 176.708 176.708 174.937 1.771 18842 6163 1 10 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.484 -1.344 18842 6164 1 10 . 1 1 67 67 ASP CB C 67 40.930 40.930 42.464 -1.534 18842 6165 1 10 . 1 1 67 67 ASP H H 67 8.460 8.460 8.142 0.318 18842 6166 1 10 . 1 1 68 68 GLU N N 68 124.449 124.449 121.909 2.540 18842 6167 1 10 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.413 -0.325 18842 6168 1 10 . 1 1 68 68 GLU C C 68 177.451 177.451 176.122 1.329 18842 6169 1 10 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.123 1.732 18842 6170 1 10 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.689 -0.012 18842 6171 1 10 . 1 1 68 68 GLU H H 68 8.752 8.752 8.488 0.264 18842 6172 1 10 . 1 1 69 69 SER N N 69 115.515 115.515 113.669 1.846 18842 6173 1 10 . 1 1 69 69 SER HA H 69 4.329 4.329 4.385 -0.056 18842 6174 1 10 . 1 1 69 69 SER C C 69 175.277 175.277 175.464 -0.187 18842 6175 1 10 . 1 1 69 69 SER CA C 69 60.139 60.139 60.084 0.055 18842 6176 1 10 . 1 1 69 69 SER CB C 69 63.223 63.223 63.337 -0.114 18842 6177 1 10 . 1 1 69 69 SER H H 69 8.497 8.497 7.971 0.526 18842 6178 1 10 . 1 1 70 70 LYS N N 70 121.733 121.733 121.739 -0.006 18842 6179 1 10 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.327 0.083 18842 6180 1 10 . 1 1 70 70 LYS C C 70 177.124 177.124 176.244 0.880 18842 6181 1 10 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.147 -0.823 18842 6182 1 10 . 1 1 70 70 LYS H H 70 7.689 7.689 7.822 -0.133 18842 6183 1 10 . 1 1 71 71 LYS N N 71 121.012 121.012 119.960 1.052 18842 6184 1 10 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.975 0.432 18842 6185 1 10 . 1 1 71 71 LYS C C 71 176.175 176.175 175.924 0.251 18842 6186 1 10 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.659 -1.047 18842 6187 1 10 . 1 1 71 71 LYS H H 71 7.750 7.750 8.384 -0.634 18842 6188 1 10 . 1 1 72 72 ARG N N 72 122.064 122.064 121.766 0.298 18842 6189 1 10 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.712 -0.111 18842 6190 1 10 . 1 1 72 72 ARG C C 72 175.228 175.228 174.526 0.702 18842 6191 1 10 . 1 1 72 72 ARG CA C 72 54.929 54.929 53.851 1.078 18842 6192 1 10 . 1 1 72 72 ARG CB C 72 32.325 32.325 33.133 -0.808 18842 6193 1 10 . 1 1 72 72 ARG H H 72 8.420 8.420 8.196 0.224 18842 6194 1 10 . 1 1 73 73 LYS N N 73 121.217 121.217 117.863 3.354 18842 6195 1 10 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.755 0.178 18842 6196 1 10 . 1 1 73 73 LYS C C 73 177.010 177.010 176.574 0.436 18842 6197 1 10 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.067 0.138 18842 6198 1 10 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.531 1.149 18842 6199 1 10 . 1 1 73 73 LYS H H 73 8.401 8.401 8.349 0.052 18842 6200 1 10 . 1 1 74 74 ASP N N 74 122.025 122.025 119.154 2.871 18842 6201 1 10 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.726 -0.016 18842 6202 1 10 . 1 1 74 74 ASP C C 74 177.475 177.475 175.884 1.591 18842 6203 1 10 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.753 -0.997 18842 6204 1 10 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.239 -0.217 18842 6205 1 10 . 1 1 74 74 ASP H H 74 8.582 8.582 8.333 0.249 18842 6206 1 10 . 1 1 75 75 ASN N N 75 116.228 116.228 116.949 -0.721 18842 6207 1 10 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.446 0.090 18842 6208 1 10 . 1 1 75 75 ASN C C 75 175.999 175.999 175.137 0.862 18842 6209 1 10 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.812 0.041 18842 6210 1 10 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.836 0.296 18842 6211 1 10 . 1 1 75 75 ASN H H 75 8.433 8.433 8.621 -0.188 18842 6212 1 10 . 1 1 76 76 GLU N N 76 118.958 118.958 118.028 0.930 18842 6213 1 10 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.477 -0.096 18842 6214 1 10 . 1 1 76 76 GLU C C 76 176.556 176.556 176.963 -0.407 18842 6215 1 10 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.375 -0.212 18842 6216 1 10 . 1 1 76 76 GLU H H 76 8.162 8.162 8.412 -0.250 18842 6217 1 10 . 1 1 77 77 GLY N N 77 108.062 108.062 108.086 -0.024 18842 6218 1 10 . 1 1 77 77 GLY C C 77 174.247 174.247 173.117 1.130 18842 6219 1 10 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.654 0.556 18842 6220 1 10 . 1 1 77 77 GLY H H 77 8.106 8.106 8.056 0.050 18842 6221 1 10 . 1 1 78 78 ASN N N 78 119.929 119.929 118.504 1.425 18842 6222 1 10 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.930 -0.184 18842 6223 1 10 . 1 1 78 78 ASN C C 78 175.035 175.035 174.209 0.826 18842 6224 1 10 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.520 0.275 18842 6225 1 10 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.554 -1.609 18842 6226 1 10 . 1 1 78 78 ASN H H 78 8.569 8.569 8.194 0.375 18842 6227 1 10 . 1 1 79 79 GLU N N 79 121.658 121.658 123.565 -1.907 18842 6228 1 10 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.214 0.267 18842 6229 1 10 . 1 1 79 79 GLU C C 79 176.302 176.302 175.878 0.424 18842 6230 1 10 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.712 -0.050 18842 6231 1 10 . 1 1 79 79 GLU CB C 79 30.643 30.643 27.822 2.821 18842 6232 1 10 . 1 1 79 79 GLU H H 79 8.691 8.691 8.707 -0.016 18842 6233 1 10 . 1 1 80 80 VAL N N 80 123.997 123.997 116.834 7.163 18842 6234 1 10 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.173 0.082 18842 6235 1 10 . 1 1 80 80 VAL C C 80 175.544 175.544 174.694 0.850 18842 6236 1 10 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.509 0.784 18842 6237 1 10 . 1 1 80 80 VAL CB C 80 33.543 33.543 33.168 0.375 18842 6238 1 10 . 1 1 80 80 VAL H H 80 8.581 8.581 8.142 0.439 18842 6239 1 10 . 1 1 81 81 VAL N N 81 126.545 126.545 118.189 8.356 18842 6240 1 10 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.441 -0.015 18842 6241 1 10 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.713 0.838 18842 6242 1 10 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.355 0.539 18842 6243 1 10 . 1 1 81 81 VAL H H 81 8.407 8.407 8.108 0.299 18842 6244 1 10 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.297 0.135 18842 6245 1 10 . 1 1 82 82 PRO C C 82 176.036 176.036 176.054 -0.018 18842 6246 1 10 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.127 -0.562 18842 6247 1 10 . 1 1 83 83 LYS N N 83 121.727 121.727 124.009 -2.282 18842 6248 1 10 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.172 0.379 18842 6249 1 10 . 1 1 83 83 LYS CA C 83 53.779 53.779 56.056 -2.277 18842 6250 1 10 . 1 1 83 83 LYS H H 83 8.316 8.316 8.379 -0.063 18842 6251 1 10 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.415 -0.122 18842 6252 1 10 . 1 1 84 84 PRO C C 84 176.883 176.883 175.963 0.920 18842 6253 1 10 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.194 0.282 18842 6254 1 10 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.603 -0.162 18842 6255 1 10 . 1 1 85 85 GLN N N 85 121.423 121.423 118.940 2.483 18842 6256 1 10 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.203 -0.058 18842 6257 1 10 . 1 1 85 85 GLN C C 85 175.026 175.026 175.095 -0.069 18842 6258 1 10 . 1 1 85 85 GLN CA C 85 56.041 56.041 55.687 0.354 18842 6259 1 10 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.570 1.239 18842 6260 1 10 . 1 1 85 85 GLN H H 85 8.471 8.471 8.488 -0.017 18842 6261 1 10 . 1 1 86 86 ARG N N 86 120.972 120.972 124.571 -3.599 18842 6262 1 10 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.707 0.480 18842 6263 1 10 . 1 1 86 86 ARG C C 86 175.091 175.091 175.763 -0.672 18842 6264 1 10 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.555 -0.163 18842 6265 1 10 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.231 2.197 18842 6266 1 10 . 1 1 86 86 ARG H H 86 8.265 8.265 8.392 -0.127 18842 6267 1 10 . 1 1 87 87 HIS N N 87 120.390 120.390 124.819 -4.429 18842 6268 1 10 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.565 0.180 18842 6269 1 10 . 1 1 87 87 HIS C C 87 173.730 173.730 173.602 0.128 18842 6270 1 10 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.283 -0.076 18842 6271 1 10 . 1 1 87 87 HIS CB C 87 33.597 33.597 29.787 3.810 18842 6272 1 10 . 1 1 87 87 HIS H H 87 8.590 8.590 8.931 -0.341 18842 6273 1 10 . 1 1 88 88 MET N N 88 126.611 126.611 125.711 0.900 18842 6274 1 10 . 1 1 88 88 MET HA H 88 5.320 5.320 4.365 0.955 18842 6275 1 10 . 1 1 88 88 MET C C 88 173.520 173.520 173.908 -0.388 18842 6276 1 10 . 1 1 88 88 MET CA C 88 54.782 54.782 55.241 -0.459 18842 6277 1 10 . 1 1 88 88 MET CB C 88 35.451 35.451 32.783 2.668 18842 6278 1 10 . 1 1 88 88 MET H H 88 8.716 8.716 8.606 0.110 18842 6279 1 10 . 1 1 89 89 PHE N N 89 122.328 122.328 126.044 -3.716 18842 6280 1 10 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.198 0.012 18842 6281 1 10 . 1 1 89 89 PHE C C 89 174.448 174.448 175.670 -1.222 18842 6282 1 10 . 1 1 89 89 PHE CA C 89 56.452 56.452 56.035 0.417 18842 6283 1 10 . 1 1 89 89 PHE CB C 89 44.088 44.088 42.367 1.721 18842 6284 1 10 . 1 1 89 89 PHE H H 89 8.989 8.989 8.865 0.124 18842 6285 1 10 . 1 1 90 90 SER N N 90 116.094 116.094 115.513 0.581 18842 6286 1 10 . 1 1 90 90 SER HA H 90 5.681 5.681 4.978 0.703 18842 6287 1 10 . 1 1 90 90 SER C C 90 173.094 173.094 172.865 0.229 18842 6288 1 10 . 1 1 90 90 SER CA C 90 56.645 56.645 57.608 -0.964 18842 6289 1 10 . 1 1 90 90 SER CB C 90 64.824 64.824 65.488 -0.664 18842 6290 1 10 . 1 1 90 90 SER H H 90 8.680 8.680 9.449 -0.769 18842 6291 1 10 . 1 1 91 91 PHE N N 91 120.812 120.812 121.529 -0.717 18842 6292 1 10 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.854 0.040 18842 6293 1 10 . 1 1 91 91 PHE C C 91 174.500 174.500 175.046 -0.546 18842 6294 1 10 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.437 -0.035 18842 6295 1 10 . 1 1 91 91 PHE CB C 91 43.327 43.327 42.260 1.067 18842 6296 1 10 . 1 1 91 91 PHE H H 91 9.050 9.050 8.291 0.759 18842 6297 1 10 . 1 1 92 92 ASN N N 92 115.876 115.876 117.235 -1.359 18842 6298 1 10 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.805 0.297 18842 6299 1 10 . 1 1 92 92 ASN C C 92 174.901 174.901 174.514 0.387 18842 6300 1 10 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.805 -1.598 18842 6301 1 10 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.717 -0.853 18842 6302 1 10 . 1 1 92 92 ASN H H 92 9.135 9.135 9.045 0.090 18842 6303 1 10 . 1 1 93 93 ASN N N 93 118.335 118.335 117.159 1.176 18842 6304 1 10 . 1 1 93 93 ASN HA H 93 4.901 4.901 5.041 -0.140 18842 6305 1 10 . 1 1 93 93 ASN C C 93 174.579 174.579 175.383 -0.804 18842 6306 1 10 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.259 0.769 18842 6307 1 10 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.248 0.554 18842 6308 1 10 . 1 1 93 93 ASN H H 93 7.271 7.271 8.168 -0.897 18842 6309 1 10 . 1 1 94 94 ARG N N 94 129.027 129.027 119.485 9.542 18842 6310 1 10 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.346 -0.481 18842 6311 1 10 . 1 1 94 94 ARG C C 94 176.782 176.782 177.495 -0.713 18842 6312 1 10 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.928 0.123 18842 6313 1 10 . 1 1 94 94 ARG H H 94 9.334 9.334 8.771 0.563 18842 6314 1 10 . 1 1 95 95 THR N N 95 115.756 115.756 116.062 -0.306 18842 6315 1 10 . 1 1 95 95 THR HA H 95 4.028 4.028 4.079 -0.051 18842 6316 1 10 . 1 1 95 95 THR C C 95 176.742 176.742 175.740 1.002 18842 6317 1 10 . 1 1 95 95 THR CA C 95 66.325 66.325 66.092 0.233 18842 6318 1 10 . 1 1 95 95 THR CB C 95 68.281 68.281 68.574 -0.293 18842 6319 1 10 . 1 1 95 95 THR H H 95 8.000 8.000 8.182 -0.182 18842 6320 1 10 . 1 1 96 96 VAL N N 96 121.852 121.852 120.359 1.493 18842 6321 1 10 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.738 0.058 18842 6322 1 10 . 1 1 96 96 VAL C C 96 177.587 177.587 177.429 0.158 18842 6323 1 10 . 1 1 96 96 VAL CA C 96 65.958 65.958 65.839 0.119 18842 6324 1 10 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.930 0.097 18842 6325 1 10 . 1 1 96 96 VAL H H 96 7.609 7.609 8.036 -0.427 18842 6326 1 10 . 1 1 97 97 MET N N 97 117.469 117.469 115.658 1.811 18842 6327 1 10 . 1 1 97 97 MET HA H 97 2.337 2.337 3.613 -1.276 18842 6328 1 10 . 1 1 97 97 MET C C 97 177.257 177.257 177.714 -0.457 18842 6329 1 10 . 1 1 97 97 MET H H 97 7.337 7.337 7.520 -0.183 18842 6330 1 10 . 1 1 98 98 ASP N N 98 118.162 118.162 120.840 -2.678 18842 6331 1 10 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.327 -0.011 18842 6332 1 10 . 1 1 98 98 ASP C C 98 178.771 178.771 178.841 -0.070 18842 6333 1 10 . 1 1 98 98 ASP CA C 98 57.554 57.554 58.370 -0.816 18842 6334 1 10 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.278 -0.499 18842 6335 1 10 . 1 1 98 98 ASP H H 98 8.729 8.729 7.924 0.805 18842 6336 1 10 . 1 1 99 99 ASN N N 99 120.303 120.303 117.197 3.106 18842 6337 1 10 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.493 -0.024 18842 6338 1 10 . 1 1 99 99 ASN C C 99 178.220 178.220 176.380 1.840 18842 6339 1 10 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.198 -0.104 18842 6340 1 10 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.945 -0.573 18842 6341 1 10 . 1 1 99 99 ASN H H 99 8.104 8.104 7.711 0.393 18842 6342 1 10 . 1 1 100 100 ILE N N 100 121.160 121.160 119.207 1.953 18842 6343 1 10 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.972 -0.326 18842 6344 1 10 . 1 1 100 100 ILE C C 100 177.361 177.361 177.703 -0.342 18842 6345 1 10 . 1 1 100 100 ILE CA C 100 62.746 62.746 62.911 -0.165 18842 6346 1 10 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.511 -1.809 18842 6347 1 10 . 1 1 100 100 ILE H H 100 8.020 8.020 7.418 0.602 18842 6348 1 10 . 1 1 101 101 LYS N N 101 120.747 120.747 120.902 -0.155 18842 6349 1 10 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.970 -0.286 18842 6350 1 10 . 1 1 101 101 LYS C C 101 177.127 177.127 179.240 -2.113 18842 6351 1 10 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.403 0.757 18842 6352 1 10 . 1 1 101 101 LYS CB C 101 32.997 32.997 31.778 1.219 18842 6353 1 10 . 1 1 101 101 LYS H H 101 8.907 8.907 8.119 0.788 18842 6354 1 10 . 1 1 102 102 MET N N 102 116.126 116.126 114.936 1.190 18842 6355 1 10 . 1 1 102 102 MET HA H 102 4.245 4.245 4.513 -0.268 18842 6356 1 10 . 1 1 102 102 MET C C 102 178.941 178.941 177.992 0.949 18842 6357 1 10 . 1 1 102 102 MET CA C 102 58.367 58.367 58.457 -0.090 18842 6358 1 10 . 1 1 102 102 MET CB C 102 32.055 32.055 32.560 -0.505 18842 6359 1 10 . 1 1 102 102 MET H H 102 8.002 8.002 7.962 0.040 18842 6360 1 10 . 1 1 103 103 THR N N 103 117.988 117.988 117.586 0.402 18842 6361 1 10 . 1 1 103 103 THR HA H 103 3.861 3.861 3.996 -0.135 18842 6362 1 10 . 1 1 103 103 THR C C 103 176.493 176.493 176.615 -0.122 18842 6363 1 10 . 1 1 103 103 THR CA C 103 66.168 66.168 65.559 0.608 18842 6364 1 10 . 1 1 103 103 THR CB C 103 67.923 67.923 68.424 -0.501 18842 6365 1 10 . 1 1 103 103 THR H H 103 7.694 7.694 7.517 0.177 18842 6366 1 10 . 1 1 104 104 LEU N N 104 119.248 119.248 120.941 -1.693 18842 6367 1 10 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.965 -0.085 18842 6368 1 10 . 1 1 104 104 LEU C C 104 178.072 178.072 178.305 -0.233 18842 6369 1 10 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.960 -0.914 18842 6370 1 10 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.397 1.497 18842 6371 1 10 . 1 1 104 104 LEU H H 104 8.530 8.530 8.769 -0.239 18842 6372 1 10 . 1 1 105 105 GLN N N 105 119.071 119.071 117.159 1.912 18842 6373 1 10 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.816 0.152 18842 6374 1 10 . 1 1 105 105 GLN C C 105 178.675 178.675 178.097 0.578 18842 6375 1 10 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.819 0.254 18842 6376 1 10 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.720 0.248 18842 6377 1 10 . 1 1 105 105 GLN H H 105 8.623 8.623 7.807 0.816 18842 6378 1 10 . 1 1 106 106 GLN N N 106 117.946 117.946 118.769 -0.823 18842 6379 1 10 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.102 -0.063 18842 6380 1 10 . 1 1 106 106 GLN C C 106 178.677 178.677 178.221 0.456 18842 6381 1 10 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.083 0.632 18842 6382 1 10 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.375 0.089 18842 6383 1 10 . 1 1 106 106 GLN H H 106 7.581 7.581 7.646 -0.065 18842 6384 1 10 . 1 1 107 107 ILE N N 107 120.013 120.013 118.741 1.272 18842 6385 1 10 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.740 -0.275 18842 6386 1 10 . 1 1 107 107 ILE C C 107 177.586 177.586 177.539 0.047 18842 6387 1 10 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.070 1.412 18842 6388 1 10 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.483 0.656 18842 6389 1 10 . 1 1 107 107 ILE H H 107 7.801 7.801 7.956 -0.155 18842 6390 1 10 . 1 1 108 108 ILE N N 108 117.686 117.686 122.054 -4.368 18842 6391 1 10 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.806 -0.022 18842 6392 1 10 . 1 1 108 108 ILE C C 108 179.171 179.171 178.339 0.832 18842 6393 1 10 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.646 -0.043 18842 6394 1 10 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.759 0.482 18842 6395 1 10 . 1 1 108 108 ILE H H 108 8.734 8.734 8.166 0.568 18842 6396 1 10 . 1 1 109 109 SER N N 109 114.198 114.198 114.401 -0.203 18842 6397 1 10 . 1 1 109 109 SER HA H 109 4.214 4.214 4.053 0.161 18842 6398 1 10 . 1 1 109 109 SER C C 109 176.381 176.381 175.802 0.579 18842 6399 1 10 . 1 1 109 109 SER CA C 109 61.564 61.564 61.414 0.150 18842 6400 1 10 . 1 1 109 109 SER CB C 109 62.831 62.831 62.995 -0.164 18842 6401 1 10 . 1 1 109 109 SER H H 109 7.881 7.881 8.369 -0.488 18842 6402 1 10 . 1 1 110 110 ARG N N 110 121.010 121.010 121.198 -0.188 18842 6403 1 10 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.926 0.211 18842 6404 1 10 . 1 1 110 110 ARG C C 110 178.636 178.636 178.429 0.207 18842 6405 1 10 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.875 -0.499 18842 6406 1 10 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.276 0.574 18842 6407 1 10 . 1 1 110 110 ARG H H 110 7.550 7.550 7.112 0.439 18842 6408 1 10 . 1 1 111 111 TYR N N 111 117.243 117.243 118.273 -1.030 18842 6409 1 10 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.382 0.413 18842 6410 1 10 . 1 1 111 111 TYR C C 111 176.218 176.218 178.169 -1.951 18842 6411 1 10 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.554 -1.980 18842 6412 1 10 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.370 0.122 18842 6413 1 10 . 1 1 111 111 TYR H H 111 7.496 7.496 7.268 0.228 18842 6414 1 10 . 1 1 112 112 LYS N N 112 121.040 121.040 121.526 -0.486 18842 6415 1 10 . 1 1 112 112 LYS HA H 112 4.334 4.334 3.996 0.338 18842 6416 1 10 . 1 1 112 112 LYS C C 112 177.437 177.437 178.302 -0.865 18842 6417 1 10 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.677 -2.047 18842 6418 1 10 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.316 0.274 18842 6419 1 10 . 1 1 112 112 LYS H H 112 7.755 7.755 7.474 0.281 18842 6420 1 10 . 1 1 113 113 ASP N N 113 120.593 120.593 118.384 2.209 18842 6421 1 10 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.464 0.173 18842 6422 1 10 . 1 1 113 113 ASP C C 113 176.587 176.587 177.946 -1.359 18842 6423 1 10 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.624 0.469 18842 6424 1 10 . 1 1 113 113 ASP H H 113 8.246 8.246 7.939 0.307 18842 6425 1 10 . 1 1 114 114 ALA N N 114 123.721 123.721 121.279 2.442 18842 6426 1 10 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.201 0.148 18842 6427 1 10 . 1 1 114 114 ALA C C 114 178.004 178.004 178.217 -0.213 18842 6428 1 10 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.540 -0.654 18842 6429 1 10 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.502 -0.237 18842 6430 1 10 . 1 1 114 114 ALA H H 114 8.038 8.038 7.506 0.532 18842 6431 1 11 . 1 1 2 2 SER N N 2 113.417 113.417 114.679 -1.262 18842 6432 1 11 . 1 1 2 2 SER HA H 2 4.355 4.355 4.463 -0.108 18842 6433 1 11 . 1 1 2 2 SER CA C 2 58.647 58.647 58.694 -0.047 18842 6434 1 11 . 1 1 2 2 SER CB C 2 63.504 63.504 64.007 -0.502 18842 6435 1 11 . 1 1 2 2 SER H H 2 8.096 8.096 8.250 -0.154 18842 6436 1 11 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.705 -0.028 18842 6437 1 11 . 1 1 3 3 HIS C C 3 173.601 173.601 173.367 0.234 18842 6438 1 11 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.209 1.020 18842 6439 1 11 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.892 2.431 18842 6440 1 11 . 1 1 4 4 SER N N 4 113.555 113.555 112.077 1.478 18842 6441 1 11 . 1 1 4 4 SER HA H 4 5.483 5.483 5.006 0.477 18842 6442 1 11 . 1 1 4 4 SER C C 4 173.624 173.624 172.613 1.011 18842 6443 1 11 . 1 1 4 4 SER CA C 4 56.904 56.904 57.976 -1.072 18842 6444 1 11 . 1 1 4 4 SER CB C 4 65.900 65.900 65.905 -0.005 18842 6445 1 11 . 1 1 4 4 SER H H 4 7.865 7.865 7.595 0.270 18842 6446 1 11 . 1 1 5 5 GLY N N 5 107.050 107.050 106.987 0.063 18842 6447 1 11 . 1 1 5 5 GLY C C 5 170.915 170.915 172.064 -1.149 18842 6448 1 11 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.785 0.632 18842 6449 1 11 . 1 1 5 5 GLY H H 5 8.370 8.370 8.785 -0.415 18842 6450 1 11 . 1 1 6 6 ALA N N 6 125.347 125.347 123.165 2.182 18842 6451 1 11 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.635 0.318 18842 6452 1 11 . 1 1 6 6 ALA C C 6 176.816 176.816 176.262 0.554 18842 6453 1 11 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.310 0.295 18842 6454 1 11 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.045 0.328 18842 6455 1 11 . 1 1 6 6 ALA H H 6 8.671 8.671 8.448 0.223 18842 6456 1 11 . 1 1 7 7 ALA N N 7 120.077 120.077 126.311 -6.234 18842 6457 1 11 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.437 0.225 18842 6458 1 11 . 1 1 7 7 ALA C C 7 176.697 176.697 175.841 0.856 18842 6459 1 11 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.839 1.829 18842 6460 1 11 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.710 2.338 18842 6461 1 11 . 1 1 7 7 ALA H H 7 8.391 8.391 8.041 0.350 18842 6462 1 11 . 1 1 8 8 ILE N N 8 125.517 125.517 120.548 4.969 18842 6463 1 11 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.801 0.186 18842 6464 1 11 . 1 1 8 8 ILE C C 8 175.327 175.327 174.898 0.429 18842 6465 1 11 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.991 -1.147 18842 6466 1 11 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.947 -1.358 18842 6467 1 11 . 1 1 8 8 ILE H H 8 9.383 9.383 8.164 1.219 18842 6468 1 11 . 1 1 9 9 PHE N N 9 128.853 128.853 127.854 0.999 18842 6469 1 11 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.517 -0.200 18842 6470 1 11 . 1 1 9 9 PHE C C 9 173.920 173.920 175.428 -1.508 18842 6471 1 11 . 1 1 9 9 PHE CA C 9 56.118 56.118 54.964 1.154 18842 6472 1 11 . 1 1 9 9 PHE CB C 9 39.825 39.825 39.047 0.778 18842 6473 1 11 . 1 1 9 9 PHE H H 9 8.467 8.467 9.092 -0.625 18842 6474 1 11 . 1 1 10 10 GLU N N 10 126.396 126.396 125.687 0.709 18842 6475 1 11 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.583 -0.381 18842 6476 1 11 . 1 1 10 10 GLU C C 10 175.226 175.226 175.517 -0.291 18842 6477 1 11 . 1 1 10 10 GLU CA C 10 56.680 56.680 59.182 -2.502 18842 6478 1 11 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.169 -1.474 18842 6479 1 11 . 1 1 10 10 GLU H H 10 8.769 8.769 8.219 0.550 18842 6480 1 11 . 1 1 11 11 LYS N N 11 105.585 105.585 116.064 -10.479 18842 6481 1 11 . 1 1 11 11 LYS HA H 11 3.402 3.402 4.405 -1.003 18842 6482 1 11 . 1 1 11 11 LYS C C 11 175.596 175.596 175.540 0.056 18842 6483 1 11 . 1 1 11 11 LYS CA C 11 58.448 58.448 56.173 2.275 18842 6484 1 11 . 1 1 11 11 LYS CB C 11 30.134 30.134 35.171 -5.037 18842 6485 1 11 . 1 1 11 11 LYS H H 11 7.931 7.931 8.156 -0.225 18842 6486 1 11 . 1 1 12 12 VAL N N 12 123.819 123.819 124.285 -0.466 18842 6487 1 11 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.404 0.013 18842 6488 1 11 . 1 1 12 12 VAL C C 12 175.188 175.188 174.279 0.909 18842 6489 1 11 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.786 0.899 18842 6490 1 11 . 1 1 12 12 VAL CB C 12 34.179 34.179 33.805 0.374 18842 6491 1 11 . 1 1 12 12 VAL H H 12 7.954 7.954 7.815 0.139 18842 6492 1 11 . 1 1 13 13 SER N N 13 121.981 121.981 123.553 -1.572 18842 6493 1 11 . 1 1 13 13 SER HA H 13 4.624 4.624 4.789 -0.165 18842 6494 1 11 . 1 1 13 13 SER C C 13 175.408 175.408 174.455 0.953 18842 6495 1 11 . 1 1 13 13 SER CA C 13 59.766 59.766 58.083 1.683 18842 6496 1 11 . 1 1 13 13 SER CB C 13 63.591 63.591 64.121 -0.530 18842 6497 1 11 . 1 1 13 13 SER H H 13 8.895 8.895 8.701 0.194 18842 6498 1 11 . 1 1 14 14 GLY N N 14 113.215 113.215 110.385 2.830 18842 6499 1 11 . 1 1 14 14 GLY C C 14 172.790 172.790 172.388 0.402 18842 6500 1 11 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.120 1.417 18842 6501 1 11 . 1 1 14 14 GLY H H 14 8.287 8.287 8.823 -0.536 18842 6502 1 11 . 1 1 15 15 ILE N N 15 123.244 123.244 119.815 3.429 18842 6503 1 11 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.387 0.433 18842 6504 1 11 . 1 1 15 15 ILE C C 15 175.417 175.417 174.038 1.379 18842 6505 1 11 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.671 -0.368 18842 6506 1 11 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.327 1.469 18842 6507 1 11 . 1 1 15 15 ILE H H 15 8.330 8.330 7.215 1.115 18842 6508 1 11 . 1 1 16 16 ILE N N 16 127.640 127.640 128.545 -0.905 18842 6509 1 11 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.557 0.410 18842 6510 1 11 . 1 1 16 16 ILE C C 16 173.248 173.248 173.953 -0.705 18842 6511 1 11 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.073 -0.261 18842 6512 1 11 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.626 2.098 18842 6513 1 11 . 1 1 16 16 ILE H H 16 9.438 9.438 9.265 0.173 18842 6514 1 11 . 1 1 17 17 ALA N N 17 127.760 127.760 130.809 -3.049 18842 6515 1 11 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.996 0.109 18842 6516 1 11 . 1 1 17 17 ALA C C 17 177.510 177.510 175.557 1.953 18842 6517 1 11 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.367 1.078 18842 6518 1 11 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.768 -0.607 18842 6519 1 11 . 1 1 17 17 ALA H H 17 8.968 8.968 8.941 0.027 18842 6520 1 11 . 1 1 18 18 ILE N N 18 122.269 122.269 123.074 -0.805 18842 6521 1 11 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.470 0.121 18842 6522 1 11 . 1 1 18 18 ILE C C 18 174.334 174.334 175.923 -1.589 18842 6523 1 11 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.574 0.082 18842 6524 1 11 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.358 0.706 18842 6525 1 11 . 1 1 18 18 ILE H H 18 8.665 8.665 8.473 0.192 18842 6526 1 11 . 1 1 19 19 ASN N N 19 127.568 127.568 127.456 0.112 18842 6527 1 11 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.740 0.340 18842 6528 1 11 . 1 1 19 19 ASN C C 19 174.784 174.784 175.353 -0.569 18842 6529 1 11 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.231 -1.593 18842 6530 1 11 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.969 0.622 18842 6531 1 11 . 1 1 19 19 ASN H H 19 9.378 9.378 9.130 0.248 18842 6532 1 11 . 1 1 20 20 GLU N N 20 121.587 121.587 123.539 -1.952 18842 6533 1 11 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.386 0.317 18842 6534 1 11 . 1 1 20 20 GLU C C 20 176.152 176.152 175.457 0.695 18842 6535 1 11 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.955 -1.064 18842 6536 1 11 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.961 0.906 18842 6537 1 11 . 1 1 20 20 GLU H H 20 9.046 9.046 7.900 1.146 18842 6538 1 11 . 1 1 21 21 ASP N N 21 121.077 121.077 117.449 3.628 18842 6539 1 11 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.703 -0.084 18842 6540 1 11 . 1 1 21 21 ASP C C 21 175.688 175.688 175.850 -0.162 18842 6541 1 11 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.340 1.172 18842 6542 1 11 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.419 -0.943 18842 6543 1 11 . 1 1 21 21 ASP H H 21 8.724 8.724 8.095 0.629 18842 6544 1 11 . 1 1 22 22 VAL N N 22 113.035 113.035 117.451 -4.416 18842 6545 1 11 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.523 -0.205 18842 6546 1 11 . 1 1 22 22 VAL C C 22 173.445 173.445 176.107 -2.662 18842 6547 1 11 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.807 -0.758 18842 6548 1 11 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.995 0.027 18842 6549 1 11 . 1 1 22 22 VAL H H 22 6.844 6.844 7.381 -0.537 18842 6550 1 11 . 1 1 23 23 SER N N 23 114.945 114.945 114.918 0.027 18842 6551 1 11 . 1 1 23 23 SER HA H 23 4.735 4.735 4.468 0.267 18842 6552 1 11 . 1 1 23 23 SER CA C 23 53.765 53.765 59.679 -5.914 18842 6553 1 11 . 1 1 23 23 SER CB C 23 64.743 64.743 61.422 3.321 18842 6554 1 11 . 1 1 23 23 SER H H 23 8.046 8.046 8.309 -0.263 18842 6555 1 11 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.575 0.193 18842 6556 1 11 . 1 1 24 24 PRO C C 24 174.807 174.807 175.923 -1.116 18842 6557 1 11 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.985 0.775 18842 6558 1 11 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.877 2.864 18842 6559 1 11 . 1 1 25 25 ALA N N 25 120.415 120.415 128.831 -8.416 18842 6560 1 11 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.459 0.056 18842 6561 1 11 . 1 1 25 25 ALA C C 25 175.790 175.790 177.246 -1.456 18842 6562 1 11 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.524 0.009 18842 6563 1 11 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.243 1.339 18842 6564 1 11 . 1 1 25 25 ALA H H 25 7.979 7.979 8.515 -0.536 18842 6565 1 11 . 1 1 26 26 GLU N N 26 115.395 115.395 123.656 -8.261 18842 6566 1 11 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.184 -0.145 18842 6567 1 11 . 1 1 26 26 GLU C C 26 174.619 174.619 174.899 -0.280 18842 6568 1 11 . 1 1 26 26 GLU CA C 26 54.029 54.029 53.473 0.556 18842 6569 1 11 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.015 1.601 18842 6570 1 11 . 1 1 26 26 GLU H H 26 7.851 7.851 8.128 -0.277 18842 6571 1 11 . 1 1 27 27 LEU N N 27 124.661 124.661 122.761 1.900 18842 6572 1 11 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.933 0.093 18842 6573 1 11 . 1 1 27 27 LEU C C 27 174.740 174.740 175.375 -0.635 18842 6574 1 11 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.084 -0.304 18842 6575 1 11 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.454 1.155 18842 6576 1 11 . 1 1 27 27 LEU H H 27 8.898 8.898 9.312 -0.414 18842 6577 1 11 . 1 1 28 28 THR N N 28 121.731 121.731 124.790 -3.059 18842 6578 1 11 . 1 1 28 28 THR HA H 28 5.207 5.207 5.103 0.104 18842 6579 1 11 . 1 1 28 28 THR C C 28 172.661 172.661 173.423 -0.762 18842 6580 1 11 . 1 1 28 28 THR CA C 28 61.178 61.178 62.774 -1.596 18842 6581 1 11 . 1 1 28 28 THR CB C 28 71.422 71.422 69.715 1.707 18842 6582 1 11 . 1 1 28 28 THR H H 28 9.283 9.283 9.303 -0.020 18842 6583 1 11 . 1 1 29 29 TRP N N 29 128.950 128.950 131.290 -2.340 18842 6584 1 11 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.252 0.179 18842 6585 1 11 . 1 1 29 29 TRP C C 29 173.939 173.939 174.634 -0.695 18842 6586 1 11 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.901 -0.118 18842 6587 1 11 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.830 1.347 18842 6588 1 11 . 1 1 29 29 TRP H H 29 9.399 9.399 9.467 -0.068 18842 6589 1 11 . 1 1 30 30 ARG N N 30 126.402 126.402 129.559 -3.157 18842 6590 1 11 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.402 0.427 18842 6591 1 11 . 1 1 30 30 ARG C C 30 174.751 174.751 175.743 -0.992 18842 6592 1 11 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.377 -0.988 18842 6593 1 11 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.036 1.782 18842 6594 1 11 . 1 1 30 30 ARG H H 30 7.613 7.613 9.119 -1.506 18842 6595 1 11 . 1 1 31 31 SER N N 31 118.353 118.353 120.727 -2.374 18842 6596 1 11 . 1 1 31 31 SER HA H 31 4.138 4.138 3.686 0.452 18842 6597 1 11 . 1 1 31 31 SER C C 31 176.426 176.426 175.488 0.938 18842 6598 1 11 . 1 1 31 31 SER CA C 31 58.013 58.013 59.933 -1.920 18842 6599 1 11 . 1 1 31 31 SER CB C 31 64.081 64.081 63.307 0.774 18842 6600 1 11 . 1 1 31 31 SER H H 31 8.086 8.086 7.844 0.242 18842 6601 1 11 . 1 1 32 32 THR N N 32 119.213 119.213 115.932 3.281 18842 6602 1 11 . 1 1 32 32 THR HA H 32 3.856 3.856 4.161 -0.305 18842 6603 1 11 . 1 1 32 32 THR C C 32 175.664 175.664 175.659 0.005 18842 6604 1 11 . 1 1 32 32 THR CA C 32 66.142 66.142 65.299 0.843 18842 6605 1 11 . 1 1 32 32 THR CB C 32 68.446 68.446 69.019 -0.573 18842 6606 1 11 . 1 1 32 32 THR H H 32 8.556 8.556 8.380 0.176 18842 6607 1 11 . 1 1 33 33 ASP N N 33 117.260 117.260 121.191 -3.931 18842 6608 1 11 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.607 0.020 18842 6609 1 11 . 1 1 33 33 ASP C C 33 177.098 177.098 176.852 0.246 18842 6610 1 11 . 1 1 33 33 ASP CA C 33 54.367 54.367 55.295 -0.928 18842 6611 1 11 . 1 1 33 33 ASP H H 33 8.236 8.236 8.393 -0.157 18842 6612 1 11 . 1 1 34 34 GLY N N 34 109.136 109.136 105.160 3.976 18842 6613 1 11 . 1 1 34 34 GLY C C 34 173.778 173.778 174.286 -0.508 18842 6614 1 11 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.245 0.154 18842 6615 1 11 . 1 1 34 34 GLY H H 34 7.935 7.935 8.341 -0.406 18842 6616 1 11 . 1 1 35 35 ASP N N 35 117.913 117.913 119.439 -1.526 18842 6617 1 11 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.662 -0.132 18842 6618 1 11 . 1 1 35 35 ASP C C 35 175.403 175.403 175.925 -0.522 18842 6619 1 11 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.776 0.035 18842 6620 1 11 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.495 -0.453 18842 6621 1 11 . 1 1 35 35 ASP H H 35 8.271 8.271 8.545 -0.274 18842 6622 1 11 . 1 1 36 36 LYS N N 36 120.335 120.335 119.426 0.909 18842 6623 1 11 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.652 0.255 18842 6624 1 11 . 1 1 36 36 LYS C C 36 174.651 174.651 174.297 0.354 18842 6625 1 11 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.393 0.014 18842 6626 1 11 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.551 0.283 18842 6627 1 11 . 1 1 36 36 LYS H H 36 7.769 7.769 7.544 0.225 18842 6628 1 11 . 1 1 37 37 VAL N N 37 121.484 121.484 122.130 -0.646 18842 6629 1 11 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.170 0.145 18842 6630 1 11 . 1 1 37 37 VAL C C 37 175.069 175.069 175.168 -0.099 18842 6631 1 11 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.243 -0.145 18842 6632 1 11 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.144 0.914 18842 6633 1 11 . 1 1 37 37 VAL H H 37 8.582 8.582 8.514 0.068 18842 6634 1 11 . 1 1 38 38 HIS N N 38 125.660 125.660 125.350 0.310 18842 6635 1 11 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.894 0.190 18842 6636 1 11 . 1 1 38 38 HIS C C 38 173.268 173.268 173.519 -0.251 18842 6637 1 11 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.678 0.390 18842 6638 1 11 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.004 0.084 18842 6639 1 11 . 1 1 38 38 HIS H H 38 9.621 9.621 8.900 0.721 18842 6640 1 11 . 1 1 39 39 THR N N 39 124.752 124.752 119.846 4.906 18842 6641 1 11 . 1 1 39 39 THR HA H 39 5.139 5.139 4.939 0.200 18842 6642 1 11 . 1 1 39 39 THR C C 39 173.208 173.208 173.198 0.010 18842 6643 1 11 . 1 1 39 39 THR CA C 39 61.518 61.518 61.291 0.227 18842 6644 1 11 . 1 1 39 39 THR CB C 39 70.665 70.665 70.923 -0.258 18842 6645 1 11 . 1 1 39 39 THR H H 39 8.527 8.527 7.969 0.558 18842 6646 1 11 . 1 1 40 40 VAL N N 40 126.002 126.002 125.713 0.289 18842 6647 1 11 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.246 -0.322 18842 6648 1 11 . 1 1 40 40 VAL C C 40 174.731 174.731 173.872 0.859 18842 6649 1 11 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.924 -0.574 18842 6650 1 11 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.818 -1.453 18842 6651 1 11 . 1 1 40 40 VAL H H 40 9.388 9.388 9.024 0.364 18842 6652 1 11 . 1 1 41 41 VAL N N 41 129.872 129.872 128.341 1.531 18842 6653 1 11 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.274 -0.290 18842 6654 1 11 . 1 1 41 41 VAL C C 41 179.410 179.410 176.280 3.130 18842 6655 1 11 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.709 1.907 18842 6656 1 11 . 1 1 41 41 VAL CB C 41 30.988 30.988 30.680 0.308 18842 6657 1 11 . 1 1 41 41 VAL H H 41 9.054 9.054 8.988 0.066 18842 6658 1 11 . 1 1 42 42 LEU N N 42 130.076 130.076 128.434 1.642 18842 6659 1 11 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.139 -0.185 18842 6660 1 11 . 1 1 42 42 LEU C C 42 176.121 176.121 178.236 -2.115 18842 6661 1 11 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.122 1.500 18842 6662 1 11 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.607 0.216 18842 6663 1 11 . 1 1 42 42 LEU H H 42 9.193 9.193 8.189 1.004 18842 6664 1 11 . 1 1 43 43 SER N N 43 109.703 109.703 112.259 -2.556 18842 6665 1 11 . 1 1 43 43 SER HA H 43 3.944 3.944 2.365 1.579 18842 6666 1 11 . 1 1 43 43 SER C C 43 175.455 175.455 175.127 0.328 18842 6667 1 11 . 1 1 43 43 SER CA C 43 59.442 59.442 60.780 -1.338 18842 6668 1 11 . 1 1 43 43 SER CB C 43 61.299 61.299 62.618 -1.319 18842 6669 1 11 . 1 1 43 43 SER H H 43 6.961 6.961 8.303 -1.342 18842 6670 1 11 . 1 1 44 44 THR N N 44 110.409 110.409 114.773 -4.364 18842 6671 1 11 . 1 1 44 44 THR HA H 44 4.519 4.519 4.216 0.303 18842 6672 1 11 . 1 1 44 44 THR C C 44 173.493 173.493 175.466 -1.973 18842 6673 1 11 . 1 1 44 44 THR CA C 44 62.076 62.076 62.808 -0.732 18842 6674 1 11 . 1 1 44 44 THR CB C 44 69.788 69.788 69.447 0.341 18842 6675 1 11 . 1 1 44 44 THR H H 44 7.657 7.657 7.830 -0.173 18842 6676 1 11 . 1 1 45 45 ILE N N 45 120.972 120.972 125.838 -4.866 18842 6677 1 11 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.014 0.311 18842 6678 1 11 . 1 1 45 45 ILE C C 45 173.882 173.882 176.666 -2.784 18842 6679 1 11 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.432 -3.392 18842 6680 1 11 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.027 1.473 18842 6681 1 11 . 1 1 45 45 ILE H H 45 7.089 7.089 7.854 -0.765 18842 6682 1 11 . 1 1 46 46 ASP N N 46 126.759 126.759 130.952 -4.193 18842 6683 1 11 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.494 0.168 18842 6684 1 11 . 1 1 46 46 ASP C C 46 175.424 175.424 175.773 -0.349 18842 6685 1 11 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.509 -1.492 18842 6686 1 11 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.817 2.766 18842 6687 1 11 . 1 1 46 46 ASP H H 46 9.372 9.372 8.566 0.806 18842 6688 1 11 . 1 1 47 47 LYS N N 47 111.663 111.663 114.241 -2.578 18842 6689 1 11 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.542 0.211 18842 6690 1 11 . 1 1 47 47 LYS C C 47 172.574 172.574 174.033 -1.459 18842 6691 1 11 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.109 -0.494 18842 6692 1 11 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.681 0.515 18842 6693 1 11 . 1 1 47 47 LYS H H 47 7.522 7.522 7.488 0.034 18842 6694 1 11 . 1 1 48 48 LEU N N 48 123.295 123.295 120.431 2.864 18842 6695 1 11 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.860 0.283 18842 6696 1 11 . 1 1 48 48 LEU C C 48 174.770 174.770 176.410 -1.640 18842 6697 1 11 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.882 -0.946 18842 6698 1 11 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.713 0.867 18842 6699 1 11 . 1 1 48 48 LEU H H 48 8.938 8.938 8.389 0.549 18842 6700 1 11 . 1 1 49 49 GLN N N 49 120.979 120.979 119.606 1.373 18842 6701 1 11 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.629 0.883 18842 6702 1 11 . 1 1 49 49 GLN C C 49 174.626 174.626 174.069 0.557 18842 6703 1 11 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.191 -1.560 18842 6704 1 11 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.270 0.819 18842 6705 1 11 . 1 1 49 49 GLN H H 49 9.246 9.246 8.372 0.874 18842 6706 1 11 . 1 1 50 50 ALA N N 50 122.440 122.440 124.763 -2.323 18842 6707 1 11 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.880 0.928 18842 6708 1 11 . 1 1 50 50 ALA C C 50 177.277 177.277 176.250 1.027 18842 6709 1 11 . 1 1 50 50 ALA CA C 50 50.621 50.621 50.986 -0.366 18842 6710 1 11 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.575 2.948 18842 6711 1 11 . 1 1 50 50 ALA H H 50 9.365 9.365 8.275 1.090 18842 6712 1 11 . 1 1 51 51 THR N N 51 114.289 114.289 117.233 -2.944 18842 6713 1 11 . 1 1 51 51 THR HA H 51 4.615 4.615 4.248 0.367 18842 6714 1 11 . 1 1 51 51 THR CA C 51 59.197 59.197 61.651 -2.454 18842 6715 1 11 . 1 1 51 51 THR CB C 51 67.937 67.937 68.439 -0.502 18842 6716 1 11 . 1 1 51 51 THR H H 51 8.368 8.368 8.423 -0.055 18842 6717 1 11 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.332 0.199 18842 6718 1 11 . 1 1 52 52 PRO C C 52 178.380 178.380 177.882 0.498 18842 6719 1 11 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.960 -0.585 18842 6720 1 11 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.057 0.583 18842 6721 1 11 . 1 1 53 53 ALA N N 53 126.235 126.235 123.008 3.227 18842 6722 1 11 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.081 -0.051 18842 6723 1 11 . 1 1 53 53 ALA C C 53 177.700 177.700 178.625 -0.925 18842 6724 1 11 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.285 0.510 18842 6725 1 11 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.702 -0.683 18842 6726 1 11 . 1 1 53 53 ALA H H 53 9.122 9.122 8.348 0.774 18842 6727 1 11 . 1 1 54 54 SER N N 54 107.216 107.216 112.907 -5.691 18842 6728 1 11 . 1 1 54 54 SER HA H 54 4.238 4.238 4.392 -0.154 18842 6729 1 11 . 1 1 54 54 SER C C 54 174.957 174.957 174.379 0.578 18842 6730 1 11 . 1 1 54 54 SER CA C 54 58.260 58.260 59.638 -1.378 18842 6731 1 11 . 1 1 54 54 SER CB C 54 63.120 63.120 63.110 0.010 18842 6732 1 11 . 1 1 54 54 SER H H 54 7.620 7.620 8.091 -0.471 18842 6733 1 11 . 1 1 55 55 SER N N 55 117.523 117.523 116.378 1.145 18842 6734 1 11 . 1 1 55 55 SER HA H 55 4.469 4.469 4.598 -0.129 18842 6735 1 11 . 1 1 55 55 SER C C 55 174.952 174.952 173.679 1.273 18842 6736 1 11 . 1 1 55 55 SER CA C 55 57.500 57.500 57.497 0.003 18842 6737 1 11 . 1 1 55 55 SER CB C 55 63.801 63.801 64.412 -0.611 18842 6738 1 11 . 1 1 55 55 SER H H 55 7.676 7.676 7.944 -0.268 18842 6739 1 11 . 1 1 56 56 GLU N N 56 124.557 124.557 124.846 -0.289 18842 6740 1 11 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.164 0.015 18842 6741 1 11 . 1 1 56 56 GLU C C 56 177.924 177.924 176.364 1.560 18842 6742 1 11 . 1 1 56 56 GLU CA C 56 57.661 57.661 57.279 0.382 18842 6743 1 11 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.083 -0.254 18842 6744 1 11 . 1 1 56 56 GLU H H 56 8.844 8.844 8.734 0.110 18842 6745 1 11 . 1 1 57 57 LYS N N 57 119.220 119.220 120.033 -0.813 18842 6746 1 11 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.366 -0.070 18842 6747 1 11 . 1 1 57 57 LYS C C 57 175.667 175.667 175.643 0.024 18842 6748 1 11 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.053 0.802 18842 6749 1 11 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.094 1.761 18842 6750 1 11 . 1 1 57 57 LYS H H 57 8.259 8.259 7.834 0.425 18842 6751 1 11 . 1 1 58 58 MET N N 58 123.270 123.270 125.107 -1.837 18842 6752 1 11 . 1 1 58 58 MET HA H 58 4.288 4.288 4.452 -0.164 18842 6753 1 11 . 1 1 58 58 MET C C 58 174.107 174.107 175.845 -1.738 18842 6754 1 11 . 1 1 58 58 MET CA C 58 55.067 55.067 55.272 -0.205 18842 6755 1 11 . 1 1 58 58 MET CB C 58 35.381 35.381 32.576 2.805 18842 6756 1 11 . 1 1 58 58 MET H H 58 8.811 8.811 8.788 0.023 18842 6757 1 11 . 1 1 59 59 MET N N 59 120.490 120.490 122.217 -1.727 18842 6758 1 11 . 1 1 59 59 MET HA H 59 5.873 5.873 5.120 0.753 18842 6759 1 11 . 1 1 59 59 MET C C 59 174.459 174.459 173.965 0.494 18842 6760 1 11 . 1 1 59 59 MET CA C 59 54.903 54.903 55.306 -0.403 18842 6761 1 11 . 1 1 59 59 MET CB C 59 39.231 39.231 37.204 2.027 18842 6762 1 11 . 1 1 59 59 MET H H 59 8.395 8.395 8.686 -0.291 18842 6763 1 11 . 1 1 60 60 LEU N N 60 118.105 118.105 122.447 -4.342 18842 6764 1 11 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.996 0.668 18842 6765 1 11 . 1 1 60 60 LEU C C 60 175.664 175.664 175.334 0.330 18842 6766 1 11 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.967 -0.839 18842 6767 1 11 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.314 2.121 18842 6768 1 11 . 1 1 60 60 LEU H H 60 9.103 9.103 9.468 -0.365 18842 6769 1 11 . 1 1 61 61 ARG N N 61 120.757 120.757 121.128 -0.371 18842 6770 1 11 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.533 -0.075 18842 6771 1 11 . 1 1 61 61 ARG C C 61 173.515 173.515 174.542 -1.027 18842 6772 1 11 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.060 0.664 18842 6773 1 11 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.274 1.858 18842 6774 1 11 . 1 1 61 61 ARG H H 61 9.287 9.287 8.319 0.968 18842 6775 1 11 . 1 1 62 62 LEU N N 62 127.139 127.139 123.318 3.821 18842 6776 1 11 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.850 0.179 18842 6777 1 11 . 1 1 62 62 LEU C C 62 175.440 175.440 175.125 0.315 18842 6778 1 11 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.534 0.866 18842 6779 1 11 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.637 -2.534 18842 6780 1 11 . 1 1 62 62 LEU H H 62 9.307 9.307 9.032 0.275 18842 6781 1 11 . 1 1 63 63 ILE N N 63 123.292 123.292 126.545 -3.253 18842 6782 1 11 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.632 -0.044 18842 6783 1 11 . 1 1 63 63 ILE C C 63 176.319 176.319 176.175 0.144 18842 6784 1 11 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.515 0.872 18842 6785 1 11 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.382 -0.261 18842 6786 1 11 . 1 1 63 63 ILE H H 63 8.891 8.891 8.740 0.151 18842 6787 1 11 . 1 1 64 64 GLY N N 64 115.565 115.565 114.456 1.109 18842 6788 1 11 . 1 1 64 64 GLY C C 64 172.551 172.551 172.814 -0.263 18842 6789 1 11 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.614 1.815 18842 6790 1 11 . 1 1 64 64 GLY H H 64 9.356 9.356 8.156 1.200 18842 6791 1 11 . 1 1 65 65 LYS N N 65 119.442 119.442 120.513 -1.071 18842 6792 1 11 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.270 0.025 18842 6793 1 11 . 1 1 65 65 LYS C C 65 176.205 176.205 176.194 0.011 18842 6794 1 11 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.638 -0.050 18842 6795 1 11 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.779 1.574 18842 6796 1 11 . 1 1 65 65 LYS H H 65 8.361 8.361 8.215 0.146 18842 6797 1 11 . 1 1 66 66 VAL N N 66 122.131 122.131 125.088 -2.957 18842 6798 1 11 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.194 -0.108 18842 6799 1 11 . 1 1 66 66 VAL C C 66 175.265 175.265 174.564 0.701 18842 6800 1 11 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.293 0.770 18842 6801 1 11 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.986 0.278 18842 6802 1 11 . 1 1 66 66 VAL H H 66 8.637 8.637 8.295 0.342 18842 6803 1 11 . 1 1 67 67 ASP N N 67 125.510 125.510 116.645 8.865 18842 6804 1 11 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.623 0.104 18842 6805 1 11 . 1 1 67 67 ASP C C 67 176.708 176.708 174.823 1.885 18842 6806 1 11 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.002 -0.862 18842 6807 1 11 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.682 -0.752 18842 6808 1 11 . 1 1 67 67 ASP H H 67 8.460 8.460 8.152 0.308 18842 6809 1 11 . 1 1 68 68 GLU N N 68 124.449 124.449 122.117 2.332 18842 6810 1 11 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.485 -0.397 18842 6811 1 11 . 1 1 68 68 GLU C C 68 177.451 177.451 176.543 0.908 18842 6812 1 11 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.625 1.230 18842 6813 1 11 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.660 0.017 18842 6814 1 11 . 1 1 68 68 GLU H H 68 8.752 8.752 8.760 -0.008 18842 6815 1 11 . 1 1 69 69 SER N N 69 115.515 115.515 113.254 2.261 18842 6816 1 11 . 1 1 69 69 SER HA H 69 4.329 4.329 4.447 -0.118 18842 6817 1 11 . 1 1 69 69 SER C C 69 175.277 175.277 175.497 -0.220 18842 6818 1 11 . 1 1 69 69 SER CA C 69 60.139 60.139 58.621 1.518 18842 6819 1 11 . 1 1 69 69 SER CB C 69 63.223 63.223 64.090 -0.867 18842 6820 1 11 . 1 1 69 69 SER H H 69 8.497 8.497 8.048 0.449 18842 6821 1 11 . 1 1 70 70 LYS N N 70 121.733 121.733 122.088 -0.355 18842 6822 1 11 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.233 0.177 18842 6823 1 11 . 1 1 70 70 LYS C C 70 177.124 177.124 176.409 0.715 18842 6824 1 11 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.617 -1.293 18842 6825 1 11 . 1 1 70 70 LYS H H 70 7.689 7.689 7.819 -0.130 18842 6826 1 11 . 1 1 71 71 LYS N N 71 121.012 121.012 117.878 3.134 18842 6827 1 11 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.013 0.394 18842 6828 1 11 . 1 1 71 71 LYS C C 71 176.175 176.175 175.981 0.194 18842 6829 1 11 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.064 -0.452 18842 6830 1 11 . 1 1 71 71 LYS H H 71 7.750 7.750 8.404 -0.654 18842 6831 1 11 . 1 1 72 72 ARG N N 72 122.064 122.064 119.083 2.981 18842 6832 1 11 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.604 -0.003 18842 6833 1 11 . 1 1 72 72 ARG C C 72 175.228 175.228 174.623 0.605 18842 6834 1 11 . 1 1 72 72 ARG CA C 72 54.929 54.929 53.953 0.976 18842 6835 1 11 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.538 -0.213 18842 6836 1 11 . 1 1 72 72 ARG H H 72 8.420 8.420 7.756 0.664 18842 6837 1 11 . 1 1 73 73 LYS N N 73 121.217 121.217 118.087 3.130 18842 6838 1 11 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.563 0.370 18842 6839 1 11 . 1 1 73 73 LYS C C 73 177.010 177.010 176.452 0.558 18842 6840 1 11 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.566 -0.361 18842 6841 1 11 . 1 1 73 73 LYS CB C 73 34.680 34.680 34.425 0.255 18842 6842 1 11 . 1 1 73 73 LYS H H 73 8.401 8.401 8.303 0.098 18842 6843 1 11 . 1 1 74 74 ASP N N 74 122.025 122.025 120.043 1.982 18842 6844 1 11 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.763 -0.053 18842 6845 1 11 . 1 1 74 74 ASP C C 74 177.475 177.475 176.211 1.264 18842 6846 1 11 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.858 -1.102 18842 6847 1 11 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.256 -0.234 18842 6848 1 11 . 1 1 74 74 ASP H H 74 8.582 8.582 8.802 -0.220 18842 6849 1 11 . 1 1 75 75 ASN N N 75 116.228 116.228 115.397 0.831 18842 6850 1 11 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.405 0.131 18842 6851 1 11 . 1 1 75 75 ASN C C 75 175.999 175.999 173.973 2.026 18842 6852 1 11 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.916 -0.063 18842 6853 1 11 . 1 1 75 75 ASN CB C 75 38.132 38.132 38.020 0.112 18842 6854 1 11 . 1 1 75 75 ASN H H 75 8.433 8.433 8.753 -0.320 18842 6855 1 11 . 1 1 76 76 GLU N N 76 118.958 118.958 119.748 -0.790 18842 6856 1 11 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.535 -0.154 18842 6857 1 11 . 1 1 76 76 GLU C C 76 176.556 176.556 176.668 -0.112 18842 6858 1 11 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.249 -0.086 18842 6859 1 11 . 1 1 76 76 GLU H H 76 8.162 8.162 7.932 0.230 18842 6860 1 11 . 1 1 77 77 GLY N N 77 108.062 108.062 111.322 -3.260 18842 6861 1 11 . 1 1 77 77 GLY C C 77 174.247 174.247 173.704 0.543 18842 6862 1 11 . 1 1 77 77 GLY CA C 77 45.210 45.210 45.944 -0.735 18842 6863 1 11 . 1 1 77 77 GLY H H 77 8.106 8.106 8.622 -0.516 18842 6864 1 11 . 1 1 78 78 ASN N N 78 119.929 119.929 116.915 3.014 18842 6865 1 11 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.868 -0.122 18842 6866 1 11 . 1 1 78 78 ASN C C 78 175.035 175.035 173.438 1.597 18842 6867 1 11 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.400 0.395 18842 6868 1 11 . 1 1 78 78 ASN CB C 78 38.945 38.945 41.343 -2.398 18842 6869 1 11 . 1 1 78 78 ASN H H 78 8.569 8.569 8.014 0.555 18842 6870 1 11 . 1 1 79 79 GLU N N 79 121.658 121.658 124.892 -3.234 18842 6871 1 11 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.449 0.032 18842 6872 1 11 . 1 1 79 79 GLU C C 79 176.302 176.302 175.309 0.993 18842 6873 1 11 . 1 1 79 79 GLU CA C 79 56.662 56.662 55.941 0.722 18842 6874 1 11 . 1 1 79 79 GLU CB C 79 30.643 30.643 30.376 0.267 18842 6875 1 11 . 1 1 79 79 GLU H H 79 8.691 8.691 8.683 0.008 18842 6876 1 11 . 1 1 80 80 VAL N N 80 123.997 123.997 121.886 2.111 18842 6877 1 11 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.606 -0.351 18842 6878 1 11 . 1 1 80 80 VAL C C 80 175.544 175.544 174.092 1.452 18842 6879 1 11 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.787 1.506 18842 6880 1 11 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.956 -1.413 18842 6881 1 11 . 1 1 80 80 VAL H H 80 8.581 8.581 8.408 0.173 18842 6882 1 11 . 1 1 81 81 VAL N N 81 126.545 126.545 118.704 7.841 18842 6883 1 11 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.447 -0.021 18842 6884 1 11 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.419 1.132 18842 6885 1 11 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.694 1.200 18842 6886 1 11 . 1 1 81 81 VAL H H 81 8.407 8.407 8.220 0.187 18842 6887 1 11 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.331 0.101 18842 6888 1 11 . 1 1 82 82 PRO C C 82 176.036 176.036 175.847 0.189 18842 6889 1 11 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.227 -0.662 18842 6890 1 11 . 1 1 83 83 LYS N N 83 121.727 121.727 124.203 -2.476 18842 6891 1 11 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.331 0.220 18842 6892 1 11 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.092 -1.313 18842 6893 1 11 . 1 1 83 83 LYS H H 83 8.316 8.316 8.325 -0.009 18842 6894 1 11 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.452 -0.159 18842 6895 1 11 . 1 1 84 84 PRO C C 84 176.883 176.883 176.011 0.872 18842 6896 1 11 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.310 0.166 18842 6897 1 11 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.615 -0.174 18842 6898 1 11 . 1 1 85 85 GLN N N 85 121.423 121.423 118.989 2.434 18842 6899 1 11 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.271 -0.126 18842 6900 1 11 . 1 1 85 85 GLN C C 85 175.026 175.026 174.959 0.067 18842 6901 1 11 . 1 1 85 85 GLN CA C 85 56.041 56.041 55.671 0.370 18842 6902 1 11 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.943 0.866 18842 6903 1 11 . 1 1 85 85 GLN H H 85 8.471 8.471 8.508 -0.037 18842 6904 1 11 . 1 1 86 86 ARG N N 86 120.972 120.972 125.641 -4.669 18842 6905 1 11 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.764 0.423 18842 6906 1 11 . 1 1 86 86 ARG C C 86 175.091 175.091 175.583 -0.492 18842 6907 1 11 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.785 -0.393 18842 6908 1 11 . 1 1 86 86 ARG CB C 86 33.428 33.428 30.794 2.634 18842 6909 1 11 . 1 1 86 86 ARG H H 86 8.265 8.265 8.582 -0.317 18842 6910 1 11 . 1 1 87 87 HIS N N 87 120.390 120.390 124.875 -4.485 18842 6911 1 11 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.627 0.118 18842 6912 1 11 . 1 1 87 87 HIS C C 87 173.730 173.730 173.874 -0.144 18842 6913 1 11 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.541 -0.334 18842 6914 1 11 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.298 3.299 18842 6915 1 11 . 1 1 87 87 HIS H H 87 8.590 8.590 8.977 -0.387 18842 6916 1 11 . 1 1 88 88 MET N N 88 126.611 126.611 123.559 3.052 18842 6917 1 11 . 1 1 88 88 MET HA H 88 5.320 5.320 4.406 0.914 18842 6918 1 11 . 1 1 88 88 MET C C 88 173.520 173.520 174.213 -0.693 18842 6919 1 11 . 1 1 88 88 MET CA C 88 54.782 54.782 55.454 -0.672 18842 6920 1 11 . 1 1 88 88 MET CB C 88 35.451 35.451 33.705 1.746 18842 6921 1 11 . 1 1 88 88 MET H H 88 8.716 8.716 8.689 0.027 18842 6922 1 11 . 1 1 89 89 PHE N N 89 122.328 122.328 124.360 -2.032 18842 6923 1 11 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.505 -0.295 18842 6924 1 11 . 1 1 89 89 PHE C C 89 174.448 174.448 175.367 -0.919 18842 6925 1 11 . 1 1 89 89 PHE CA C 89 56.452 56.452 56.005 0.446 18842 6926 1 11 . 1 1 89 89 PHE CB C 89 44.088 44.088 42.510 1.578 18842 6927 1 11 . 1 1 89 89 PHE H H 89 8.989 8.989 9.273 -0.284 18842 6928 1 11 . 1 1 90 90 SER N N 90 116.094 116.094 120.156 -4.062 18842 6929 1 11 . 1 1 90 90 SER HA H 90 5.681 5.681 4.988 0.693 18842 6930 1 11 . 1 1 90 90 SER C C 90 173.094 173.094 173.975 -0.881 18842 6931 1 11 . 1 1 90 90 SER CA C 90 56.645 56.645 57.935 -1.290 18842 6932 1 11 . 1 1 90 90 SER CB C 90 64.824 64.824 63.574 1.250 18842 6933 1 11 . 1 1 90 90 SER H H 90 8.680 8.680 8.732 -0.052 18842 6934 1 11 . 1 1 91 91 PHE N N 91 120.812 120.812 124.614 -3.802 18842 6935 1 11 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.625 0.269 18842 6936 1 11 . 1 1 91 91 PHE C C 91 174.500 174.500 176.510 -2.010 18842 6937 1 11 . 1 1 91 91 PHE CA C 91 57.402 57.402 58.252 -0.850 18842 6938 1 11 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.428 2.899 18842 6939 1 11 . 1 1 91 91 PHE H H 91 9.050 9.050 8.642 0.408 18842 6940 1 11 . 1 1 92 92 ASN N N 92 115.876 115.876 116.450 -0.574 18842 6941 1 11 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.783 0.319 18842 6942 1 11 . 1 1 92 92 ASN C C 92 174.901 174.901 173.355 1.546 18842 6943 1 11 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.511 -1.304 18842 6944 1 11 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.442 0.422 18842 6945 1 11 . 1 1 92 92 ASN H H 92 9.135 9.135 8.930 0.205 18842 6946 1 11 . 1 1 93 93 ASN N N 93 118.335 118.335 116.888 1.447 18842 6947 1 11 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.900 0.001 18842 6948 1 11 . 1 1 93 93 ASN C C 93 174.579 174.579 174.773 -0.194 18842 6949 1 11 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.801 0.227 18842 6950 1 11 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.888 0.914 18842 6951 1 11 . 1 1 93 93 ASN H H 93 7.271 7.271 7.885 -0.614 18842 6952 1 11 . 1 1 94 94 ARG N N 94 129.027 129.027 120.195 8.832 18842 6953 1 11 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.284 -0.419 18842 6954 1 11 . 1 1 94 94 ARG C C 94 176.782 176.782 177.002 -0.220 18842 6955 1 11 . 1 1 94 94 ARG CA C 94 59.051 59.051 59.408 -0.357 18842 6956 1 11 . 1 1 94 94 ARG H H 94 9.334 9.334 8.789 0.545 18842 6957 1 11 . 1 1 95 95 THR N N 95 115.756 115.756 116.104 -0.348 18842 6958 1 11 . 1 1 95 95 THR HA H 95 4.028 4.028 4.125 -0.097 18842 6959 1 11 . 1 1 95 95 THR C C 95 176.742 176.742 176.606 0.136 18842 6960 1 11 . 1 1 95 95 THR CA C 95 66.325 66.325 66.215 0.110 18842 6961 1 11 . 1 1 95 95 THR CB C 95 68.281 68.281 68.171 0.110 18842 6962 1 11 . 1 1 95 95 THR H H 95 8.000 8.000 8.163 -0.163 18842 6963 1 11 . 1 1 96 96 VAL N N 96 121.852 121.852 121.826 0.026 18842 6964 1 11 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.851 -0.055 18842 6965 1 11 . 1 1 96 96 VAL C C 96 177.587 177.587 177.030 0.557 18842 6966 1 11 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.604 -0.646 18842 6967 1 11 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.834 0.193 18842 6968 1 11 . 1 1 96 96 VAL H H 96 7.609 7.609 8.093 -0.484 18842 6969 1 11 . 1 1 97 97 MET N N 97 117.469 117.469 118.502 -1.033 18842 6970 1 11 . 1 1 97 97 MET HA H 97 2.337 2.337 3.879 -1.542 18842 6971 1 11 . 1 1 97 97 MET C C 97 177.257 177.257 177.631 -0.374 18842 6972 1 11 . 1 1 97 97 MET H H 97 7.337 7.337 7.729 -0.392 18842 6973 1 11 . 1 1 98 98 ASP N N 98 118.162 118.162 120.435 -2.273 18842 6974 1 11 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.407 -0.091 18842 6975 1 11 . 1 1 98 98 ASP C C 98 178.771 178.771 178.683 0.088 18842 6976 1 11 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.588 -0.034 18842 6977 1 11 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.431 -0.652 18842 6978 1 11 . 1 1 98 98 ASP H H 98 8.729 8.729 8.020 0.709 18842 6979 1 11 . 1 1 99 99 ASN N N 99 120.303 120.303 119.219 1.084 18842 6980 1 11 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.491 -0.022 18842 6981 1 11 . 1 1 99 99 ASN C C 99 178.220 178.220 177.566 0.654 18842 6982 1 11 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.106 -0.012 18842 6983 1 11 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.241 0.131 18842 6984 1 11 . 1 1 99 99 ASN H H 99 8.104 8.104 8.552 -0.448 18842 6985 1 11 . 1 1 100 100 ILE N N 100 121.160 121.160 120.431 0.729 18842 6986 1 11 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.855 -0.209 18842 6987 1 11 . 1 1 100 100 ILE C C 100 177.361 177.361 177.751 -0.390 18842 6988 1 11 . 1 1 100 100 ILE CA C 100 62.746 62.746 63.945 -1.199 18842 6989 1 11 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.291 -1.589 18842 6990 1 11 . 1 1 100 100 ILE H H 100 8.020 8.020 8.030 -0.010 18842 6991 1 11 . 1 1 101 101 LYS N N 101 120.747 120.747 120.924 -0.177 18842 6992 1 11 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.897 -0.213 18842 6993 1 11 . 1 1 101 101 LYS C C 101 177.127 177.127 179.127 -2.000 18842 6994 1 11 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.995 0.165 18842 6995 1 11 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.435 0.562 18842 6996 1 11 . 1 1 101 101 LYS H H 101 8.907 8.907 7.985 0.922 18842 6997 1 11 . 1 1 102 102 MET N N 102 116.126 116.126 115.200 0.926 18842 6998 1 11 . 1 1 102 102 MET HA H 102 4.245 4.245 4.626 -0.381 18842 6999 1 11 . 1 1 102 102 MET C C 102 178.941 178.941 178.264 0.677 18842 7000 1 11 . 1 1 102 102 MET CA C 102 58.367 58.367 58.191 0.176 18842 7001 1 11 . 1 1 102 102 MET CB C 102 32.055 32.055 32.310 -0.255 18842 7002 1 11 . 1 1 102 102 MET H H 102 8.002 8.002 8.133 -0.131 18842 7003 1 11 . 1 1 103 103 THR N N 103 117.988 117.988 118.038 -0.050 18842 7004 1 11 . 1 1 103 103 THR HA H 103 3.861 3.861 4.065 -0.204 18842 7005 1 11 . 1 1 103 103 THR C C 103 176.493 176.493 176.478 0.015 18842 7006 1 11 . 1 1 103 103 THR CA C 103 66.168 66.168 66.515 -0.347 18842 7007 1 11 . 1 1 103 103 THR CB C 103 67.923 67.923 68.666 -0.743 18842 7008 1 11 . 1 1 103 103 THR H H 103 7.694 7.694 7.811 -0.117 18842 7009 1 11 . 1 1 104 104 LEU N N 104 119.248 119.248 120.879 -1.631 18842 7010 1 11 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.976 -0.096 18842 7011 1 11 . 1 1 104 104 LEU C C 104 178.072 178.072 178.316 -0.244 18842 7012 1 11 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.554 -0.508 18842 7013 1 11 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.459 1.435 18842 7014 1 11 . 1 1 104 104 LEU H H 104 8.530 8.530 8.657 -0.127 18842 7015 1 11 . 1 1 105 105 GLN N N 105 119.071 119.071 117.222 1.849 18842 7016 1 11 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.836 0.132 18842 7017 1 11 . 1 1 105 105 GLN C C 105 178.675 178.675 178.346 0.329 18842 7018 1 11 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.742 0.331 18842 7019 1 11 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.762 0.206 18842 7020 1 11 . 1 1 105 105 GLN H H 105 8.623 8.623 7.812 0.811 18842 7021 1 11 . 1 1 106 106 GLN N N 106 117.946 117.946 119.325 -1.379 18842 7022 1 11 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.059 -0.020 18842 7023 1 11 . 1 1 106 106 GLN C C 106 178.677 178.677 178.271 0.406 18842 7024 1 11 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.621 0.094 18842 7025 1 11 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.556 -0.092 18842 7026 1 11 . 1 1 106 106 GLN H H 106 7.581 7.581 7.592 -0.011 18842 7027 1 11 . 1 1 107 107 ILE N N 107 120.013 120.013 118.250 1.763 18842 7028 1 11 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.732 -0.267 18842 7029 1 11 . 1 1 107 107 ILE C C 107 177.586 177.586 177.442 0.144 18842 7030 1 11 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.087 1.395 18842 7031 1 11 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.467 0.672 18842 7032 1 11 . 1 1 107 107 ILE H H 107 7.801 7.801 7.828 -0.027 18842 7033 1 11 . 1 1 108 108 ILE N N 108 117.686 117.686 121.390 -3.704 18842 7034 1 11 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.779 0.005 18842 7035 1 11 . 1 1 108 108 ILE C C 108 179.171 179.171 178.615 0.556 18842 7036 1 11 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.480 0.123 18842 7037 1 11 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.626 0.615 18842 7038 1 11 . 1 1 108 108 ILE H H 108 8.734 8.734 7.993 0.741 18842 7039 1 11 . 1 1 109 109 SER N N 109 114.198 114.198 114.939 -0.741 18842 7040 1 11 . 1 1 109 109 SER HA H 109 4.214 4.214 4.112 0.102 18842 7041 1 11 . 1 1 109 109 SER C C 109 176.381 176.381 176.241 0.140 18842 7042 1 11 . 1 1 109 109 SER CA C 109 61.564 61.564 61.920 -0.356 18842 7043 1 11 . 1 1 109 109 SER CB C 109 62.831 62.831 62.651 0.180 18842 7044 1 11 . 1 1 109 109 SER H H 109 7.881 7.881 8.578 -0.697 18842 7045 1 11 . 1 1 110 110 ARG N N 110 121.010 121.010 119.722 1.288 18842 7046 1 11 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.904 0.233 18842 7047 1 11 . 1 1 110 110 ARG C C 110 178.636 178.636 178.159 0.477 18842 7048 1 11 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.724 -0.348 18842 7049 1 11 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.740 0.110 18842 7050 1 11 . 1 1 110 110 ARG H H 110 7.550 7.550 7.214 0.336 18842 7051 1 11 . 1 1 111 111 TYR N N 111 117.243 117.243 116.095 1.148 18842 7052 1 11 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.592 0.203 18842 7053 1 11 . 1 1 111 111 TYR C C 111 176.218 176.218 177.163 -0.945 18842 7054 1 11 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.409 -0.835 18842 7055 1 11 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.967 -0.475 18842 7056 1 11 . 1 1 111 111 TYR H H 111 7.496 7.496 7.724 -0.228 18842 7057 1 11 . 1 1 112 112 LYS N N 112 121.040 121.040 121.619 -0.579 18842 7058 1 11 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.041 0.293 18842 7059 1 11 . 1 1 112 112 LYS C C 112 177.437 177.437 178.383 -0.946 18842 7060 1 11 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.447 -1.817 18842 7061 1 11 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.175 0.415 18842 7062 1 11 . 1 1 112 112 LYS H H 112 7.755 7.755 7.558 0.197 18842 7063 1 11 . 1 1 113 113 ASP N N 113 120.593 120.593 118.145 2.448 18842 7064 1 11 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.438 0.199 18842 7065 1 11 . 1 1 113 113 ASP C C 113 176.587 176.587 177.704 -1.117 18842 7066 1 11 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.719 0.374 18842 7067 1 11 . 1 1 113 113 ASP H H 113 8.246 8.246 8.010 0.236 18842 7068 1 11 . 1 1 114 114 ALA N N 114 123.721 123.721 122.401 1.320 18842 7069 1 11 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.244 0.105 18842 7070 1 11 . 1 1 114 114 ALA C C 114 178.004 178.004 178.546 -0.542 18842 7071 1 11 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.000 -0.114 18842 7072 1 11 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.412 -0.147 18842 7073 1 11 . 1 1 114 114 ALA H H 114 8.038 8.038 7.674 0.364 18842 7074 1 12 . 1 1 2 2 SER N N 2 113.417 113.417 116.788 -3.371 18842 7075 1 12 . 1 1 2 2 SER HA H 2 4.355 4.355 4.551 -0.196 18842 7076 1 12 . 1 1 2 2 SER CA C 2 58.647 58.647 59.752 -1.105 18842 7077 1 12 . 1 1 2 2 SER CB C 2 63.504 63.504 63.995 -0.491 18842 7078 1 12 . 1 1 2 2 SER H H 2 8.096 8.096 8.672 -0.576 18842 7079 1 12 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.781 -0.104 18842 7080 1 12 . 1 1 3 3 HIS C C 3 173.601 173.601 173.494 0.107 18842 7081 1 12 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.345 0.884 18842 7082 1 12 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.017 2.306 18842 7083 1 12 . 1 1 4 4 SER N N 4 113.555 113.555 112.227 1.328 18842 7084 1 12 . 1 1 4 4 SER HA H 4 5.483 5.483 5.068 0.415 18842 7085 1 12 . 1 1 4 4 SER C C 4 173.624 173.624 172.733 0.891 18842 7086 1 12 . 1 1 4 4 SER CA C 4 56.904 56.904 57.857 -0.953 18842 7087 1 12 . 1 1 4 4 SER CB C 4 65.900 65.900 65.663 0.237 18842 7088 1 12 . 1 1 4 4 SER H H 4 7.865 7.865 7.876 -0.011 18842 7089 1 12 . 1 1 5 5 GLY N N 5 107.050 107.050 107.284 -0.234 18842 7090 1 12 . 1 1 5 5 GLY C C 5 170.915 170.915 172.044 -1.129 18842 7091 1 12 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.949 0.468 18842 7092 1 12 . 1 1 5 5 GLY H H 5 8.370 8.370 8.870 -0.500 18842 7093 1 12 . 1 1 6 6 ALA N N 6 125.347 125.347 122.961 2.386 18842 7094 1 12 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.650 0.303 18842 7095 1 12 . 1 1 6 6 ALA C C 6 176.816 176.816 176.146 0.670 18842 7096 1 12 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.230 0.375 18842 7097 1 12 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.940 0.433 18842 7098 1 12 . 1 1 6 6 ALA H H 6 8.671 8.671 8.473 0.198 18842 7099 1 12 . 1 1 7 7 ALA N N 7 120.077 120.077 125.705 -5.628 18842 7100 1 12 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.008 0.654 18842 7101 1 12 . 1 1 7 7 ALA C C 7 176.697 176.697 175.768 0.929 18842 7102 1 12 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.636 2.032 18842 7103 1 12 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.343 2.705 18842 7104 1 12 . 1 1 7 7 ALA H H 7 8.391 8.391 7.831 0.560 18842 7105 1 12 . 1 1 8 8 ILE N N 8 125.517 125.517 118.881 6.636 18842 7106 1 12 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.001 -0.014 18842 7107 1 12 . 1 1 8 8 ILE C C 8 175.327 175.327 174.887 0.440 18842 7108 1 12 . 1 1 8 8 ILE CA C 8 59.844 59.844 57.947 1.897 18842 7109 1 12 . 1 1 8 8 ILE CB C 8 39.589 39.589 39.029 0.560 18842 7110 1 12 . 1 1 8 8 ILE H H 8 9.383 9.383 8.671 0.712 18842 7111 1 12 . 1 1 9 9 PHE N N 9 128.853 128.853 125.134 3.719 18842 7112 1 12 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.714 -0.397 18842 7113 1 12 . 1 1 9 9 PHE C C 9 173.920 173.920 174.659 -0.739 18842 7114 1 12 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.769 0.349 18842 7115 1 12 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.521 -2.696 18842 7116 1 12 . 1 1 9 9 PHE H H 9 8.467 8.467 9.300 -0.833 18842 7117 1 12 . 1 1 10 10 GLU N N 10 126.396 126.396 125.825 0.571 18842 7118 1 12 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.512 -0.310 18842 7119 1 12 . 1 1 10 10 GLU C C 10 175.226 175.226 175.262 -0.036 18842 7120 1 12 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.650 -0.970 18842 7121 1 12 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.738 -1.043 18842 7122 1 12 . 1 1 10 10 GLU H H 10 8.769 8.769 9.041 -0.272 18842 7123 1 12 . 1 1 11 11 LYS N N 11 105.585 105.585 112.268 -6.683 18842 7124 1 12 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.986 -0.584 18842 7125 1 12 . 1 1 11 11 LYS C C 11 175.596 175.596 175.136 0.460 18842 7126 1 12 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.346 1.101 18842 7127 1 12 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.271 -1.137 18842 7128 1 12 . 1 1 11 11 LYS H H 11 7.931 7.931 8.247 -0.316 18842 7129 1 12 . 1 1 12 12 VAL N N 12 123.819 123.819 121.446 2.373 18842 7130 1 12 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.364 0.053 18842 7131 1 12 . 1 1 12 12 VAL C C 12 175.188 175.188 174.902 0.286 18842 7132 1 12 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.535 1.150 18842 7133 1 12 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.277 -0.098 18842 7134 1 12 . 1 1 12 12 VAL H H 12 7.954 7.954 8.067 -0.113 18842 7135 1 12 . 1 1 13 13 SER N N 13 121.981 121.981 123.038 -1.057 18842 7136 1 12 . 1 1 13 13 SER HA H 13 4.624 4.624 4.684 -0.060 18842 7137 1 12 . 1 1 13 13 SER C C 13 175.408 175.408 174.910 0.498 18842 7138 1 12 . 1 1 13 13 SER CA C 13 59.766 59.766 59.228 0.537 18842 7139 1 12 . 1 1 13 13 SER CB C 13 63.591 63.591 63.997 -0.406 18842 7140 1 12 . 1 1 13 13 SER H H 13 8.895 8.895 8.797 0.098 18842 7141 1 12 . 1 1 14 14 GLY N N 14 113.215 113.215 108.317 4.898 18842 7142 1 12 . 1 1 14 14 GLY C C 14 172.790 172.790 172.132 0.658 18842 7143 1 12 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.688 0.849 18842 7144 1 12 . 1 1 14 14 GLY H H 14 8.287 8.287 8.290 -0.003 18842 7145 1 12 . 1 1 15 15 ILE N N 15 123.244 123.244 119.735 3.509 18842 7146 1 12 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.398 0.422 18842 7147 1 12 . 1 1 15 15 ILE C C 15 175.417 175.417 174.126 1.291 18842 7148 1 12 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.383 -0.080 18842 7149 1 12 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.094 1.702 18842 7150 1 12 . 1 1 15 15 ILE H H 15 8.330 8.330 7.787 0.543 18842 7151 1 12 . 1 1 16 16 ILE N N 16 127.640 127.640 128.761 -1.121 18842 7152 1 12 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.300 0.667 18842 7153 1 12 . 1 1 16 16 ILE C C 16 173.248 173.248 173.780 -0.532 18842 7154 1 12 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.071 -0.259 18842 7155 1 12 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.272 2.451 18842 7156 1 12 . 1 1 16 16 ILE H H 16 9.438 9.438 9.260 0.178 18842 7157 1 12 . 1 1 17 17 ALA N N 17 127.760 127.760 130.774 -3.014 18842 7158 1 12 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.983 0.122 18842 7159 1 12 . 1 1 17 17 ALA C C 17 177.510 177.510 175.618 1.892 18842 7160 1 12 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.375 1.070 18842 7161 1 12 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.663 -0.502 18842 7162 1 12 . 1 1 17 17 ALA H H 17 8.968 8.968 8.579 0.389 18842 7163 1 12 . 1 1 18 18 ILE N N 18 122.269 122.269 123.178 -0.909 18842 7164 1 12 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.504 0.087 18842 7165 1 12 . 1 1 18 18 ILE C C 18 174.334 174.334 175.911 -1.577 18842 7166 1 12 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.531 0.125 18842 7167 1 12 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.401 0.663 18842 7168 1 12 . 1 1 18 18 ILE H H 18 8.665 8.665 8.565 0.100 18842 7169 1 12 . 1 1 19 19 ASN N N 19 127.568 127.568 127.217 0.351 18842 7170 1 12 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.764 0.316 18842 7171 1 12 . 1 1 19 19 ASN C C 19 174.784 174.784 175.216 -0.432 18842 7172 1 12 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.120 -1.482 18842 7173 1 12 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.838 0.753 18842 7174 1 12 . 1 1 19 19 ASN H H 19 9.378 9.378 9.140 0.238 18842 7175 1 12 . 1 1 20 20 GLU N N 20 121.587 121.587 123.756 -2.169 18842 7176 1 12 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.380 0.323 18842 7177 1 12 . 1 1 20 20 GLU C C 20 176.152 176.152 175.591 0.561 18842 7178 1 12 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.133 -1.242 18842 7179 1 12 . 1 1 20 20 GLU CB C 20 30.867 30.867 30.008 0.859 18842 7180 1 12 . 1 1 20 20 GLU H H 20 9.046 9.046 7.867 1.179 18842 7181 1 12 . 1 1 21 21 ASP N N 21 121.077 121.077 117.358 3.719 18842 7182 1 12 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.752 -0.133 18842 7183 1 12 . 1 1 21 21 ASP C C 21 175.688 175.688 175.782 -0.094 18842 7184 1 12 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.531 0.981 18842 7185 1 12 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.322 -0.846 18842 7186 1 12 . 1 1 21 21 ASP H H 21 8.724 8.724 8.103 0.621 18842 7187 1 12 . 1 1 22 22 VAL N N 22 113.035 113.035 116.245 -3.210 18842 7188 1 12 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.383 -0.065 18842 7189 1 12 . 1 1 22 22 VAL C C 22 173.445 173.445 176.109 -2.664 18842 7190 1 12 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.386 -0.337 18842 7191 1 12 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.509 0.513 18842 7192 1 12 . 1 1 22 22 VAL H H 22 6.844 6.844 7.265 -0.421 18842 7193 1 12 . 1 1 23 23 SER N N 23 114.945 114.945 115.233 -0.288 18842 7194 1 12 . 1 1 23 23 SER HA H 23 4.735 4.735 4.528 0.207 18842 7195 1 12 . 1 1 23 23 SER CA C 23 53.765 53.765 60.937 -7.172 18842 7196 1 12 . 1 1 23 23 SER CB C 23 64.743 64.743 62.484 2.259 18842 7197 1 12 . 1 1 23 23 SER H H 23 8.046 8.046 8.605 -0.559 18842 7198 1 12 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.599 0.169 18842 7199 1 12 . 1 1 24 24 PRO C C 24 174.807 174.807 175.679 -0.872 18842 7200 1 12 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.980 0.780 18842 7201 1 12 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.633 3.108 18842 7202 1 12 . 1 1 25 25 ALA N N 25 120.415 120.415 128.816 -8.401 18842 7203 1 12 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.435 0.080 18842 7204 1 12 . 1 1 25 25 ALA C C 25 175.790 175.790 177.234 -1.444 18842 7205 1 12 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.606 -0.073 18842 7206 1 12 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.242 1.340 18842 7207 1 12 . 1 1 25 25 ALA H H 25 7.979 7.979 8.550 -0.571 18842 7208 1 12 . 1 1 26 26 GLU N N 26 115.395 115.395 123.706 -8.311 18842 7209 1 12 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.191 -0.152 18842 7210 1 12 . 1 1 26 26 GLU C C 26 174.619 174.619 174.911 -0.292 18842 7211 1 12 . 1 1 26 26 GLU CA C 26 54.029 54.029 53.518 0.511 18842 7212 1 12 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.057 1.559 18842 7213 1 12 . 1 1 26 26 GLU H H 26 7.851 7.851 8.139 -0.288 18842 7214 1 12 . 1 1 27 27 LEU N N 27 124.661 124.661 122.865 1.796 18842 7215 1 12 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.934 0.092 18842 7216 1 12 . 1 1 27 27 LEU C C 27 174.740 174.740 175.390 -0.650 18842 7217 1 12 . 1 1 27 27 LEU CA C 27 53.781 53.781 53.902 -0.121 18842 7218 1 12 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.739 0.870 18842 7219 1 12 . 1 1 27 27 LEU H H 27 8.898 8.898 9.342 -0.445 18842 7220 1 12 . 1 1 28 28 THR N N 28 121.731 121.731 124.891 -3.160 18842 7221 1 12 . 1 1 28 28 THR HA H 28 5.207 5.207 5.043 0.164 18842 7222 1 12 . 1 1 28 28 THR C C 28 172.661 172.661 173.824 -1.163 18842 7223 1 12 . 1 1 28 28 THR CA C 28 61.178 61.178 61.703 -0.525 18842 7224 1 12 . 1 1 28 28 THR CB C 28 71.422 71.422 68.899 2.523 18842 7225 1 12 . 1 1 28 28 THR H H 28 9.283 9.283 9.277 0.006 18842 7226 1 12 . 1 1 29 29 TRP N N 29 128.950 128.950 131.293 -2.343 18842 7227 1 12 . 1 1 29 29 TRP HA H 29 5.431 5.431 4.989 0.442 18842 7228 1 12 . 1 1 29 29 TRP C C 29 173.939 173.939 174.277 -0.338 18842 7229 1 12 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.134 -0.352 18842 7230 1 12 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.318 1.859 18842 7231 1 12 . 1 1 29 29 TRP H H 29 9.399 9.399 9.508 -0.109 18842 7232 1 12 . 1 1 30 30 ARG N N 30 126.402 126.402 130.463 -4.061 18842 7233 1 12 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.354 0.475 18842 7234 1 12 . 1 1 30 30 ARG C C 30 174.751 174.751 175.921 -1.170 18842 7235 1 12 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.178 -0.789 18842 7236 1 12 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.996 0.822 18842 7237 1 12 . 1 1 30 30 ARG H H 30 7.613 7.613 9.174 -1.561 18842 7238 1 12 . 1 1 31 31 SER N N 31 118.353 118.353 122.940 -4.587 18842 7239 1 12 . 1 1 31 31 SER HA H 31 4.138 4.138 3.735 0.403 18842 7240 1 12 . 1 1 31 31 SER C C 31 176.426 176.426 175.227 1.199 18842 7241 1 12 . 1 1 31 31 SER CA C 31 58.013 58.013 59.432 -1.419 18842 7242 1 12 . 1 1 31 31 SER CB C 31 64.081 64.081 63.387 0.694 18842 7243 1 12 . 1 1 31 31 SER H H 31 8.086 8.086 8.423 -0.337 18842 7244 1 12 . 1 1 32 32 THR N N 32 119.213 119.213 114.280 4.933 18842 7245 1 12 . 1 1 32 32 THR HA H 32 3.856 3.856 4.170 -0.314 18842 7246 1 12 . 1 1 32 32 THR C C 32 175.664 175.664 175.508 0.156 18842 7247 1 12 . 1 1 32 32 THR CA C 32 66.142 66.142 64.882 1.260 18842 7248 1 12 . 1 1 32 32 THR CB C 32 68.446 68.446 68.674 -0.228 18842 7249 1 12 . 1 1 32 32 THR H H 32 8.556 8.556 8.279 0.277 18842 7250 1 12 . 1 1 33 33 ASP N N 33 117.260 117.260 119.995 -2.735 18842 7251 1 12 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.637 -0.010 18842 7252 1 12 . 1 1 33 33 ASP C C 33 177.098 177.098 177.018 0.080 18842 7253 1 12 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.192 0.175 18842 7254 1 12 . 1 1 33 33 ASP H H 33 8.236 8.236 8.073 0.163 18842 7255 1 12 . 1 1 34 34 GLY N N 34 109.136 109.136 106.912 2.224 18842 7256 1 12 . 1 1 34 34 GLY C C 34 173.778 173.778 174.582 -0.804 18842 7257 1 12 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.009 0.390 18842 7258 1 12 . 1 1 34 34 GLY H H 34 7.935 7.935 8.001 -0.066 18842 7259 1 12 . 1 1 35 35 ASP N N 35 117.913 117.913 120.183 -2.270 18842 7260 1 12 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.757 -0.227 18842 7261 1 12 . 1 1 35 35 ASP C C 35 175.403 175.403 175.468 -0.065 18842 7262 1 12 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.378 0.433 18842 7263 1 12 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.800 -0.758 18842 7264 1 12 . 1 1 35 35 ASP H H 35 8.271 8.271 8.197 0.074 18842 7265 1 12 . 1 1 36 36 LYS N N 36 120.335 120.335 119.852 0.483 18842 7266 1 12 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.757 0.150 18842 7267 1 12 . 1 1 36 36 LYS C C 36 174.651 174.651 174.180 0.471 18842 7268 1 12 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.350 0.057 18842 7269 1 12 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.399 0.435 18842 7270 1 12 . 1 1 36 36 LYS H H 36 7.769 7.769 7.863 -0.094 18842 7271 1 12 . 1 1 37 37 VAL N N 37 121.484 121.484 122.092 -0.608 18842 7272 1 12 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.133 0.182 18842 7273 1 12 . 1 1 37 37 VAL C C 37 175.069 175.069 175.211 -0.142 18842 7274 1 12 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.218 -0.120 18842 7275 1 12 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.613 0.445 18842 7276 1 12 . 1 1 37 37 VAL H H 37 8.582 8.582 8.591 -0.009 18842 7277 1 12 . 1 1 38 38 HIS N N 38 125.660 125.660 124.505 1.155 18842 7278 1 12 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.981 0.103 18842 7279 1 12 . 1 1 38 38 HIS C C 38 173.268 173.268 173.243 0.025 18842 7280 1 12 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.070 -0.002 18842 7281 1 12 . 1 1 38 38 HIS CB C 38 34.088 34.088 33.769 0.319 18842 7282 1 12 . 1 1 38 38 HIS H H 38 9.621 9.621 8.942 0.679 18842 7283 1 12 . 1 1 39 39 THR N N 39 124.752 124.752 120.452 4.300 18842 7284 1 12 . 1 1 39 39 THR HA H 39 5.139 5.139 5.069 0.070 18842 7285 1 12 . 1 1 39 39 THR C C 39 173.208 173.208 172.826 0.382 18842 7286 1 12 . 1 1 39 39 THR CA C 39 61.518 61.518 61.376 0.142 18842 7287 1 12 . 1 1 39 39 THR CB C 39 70.665 70.665 71.129 -0.464 18842 7288 1 12 . 1 1 39 39 THR H H 39 8.527 8.527 7.816 0.711 18842 7289 1 12 . 1 1 40 40 VAL N N 40 126.002 126.002 126.007 -0.005 18842 7290 1 12 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.337 -0.413 18842 7291 1 12 . 1 1 40 40 VAL C C 40 174.731 174.731 174.144 0.587 18842 7292 1 12 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.132 0.218 18842 7293 1 12 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.063 -1.698 18842 7294 1 12 . 1 1 40 40 VAL H H 40 9.388 9.388 9.176 0.212 18842 7295 1 12 . 1 1 41 41 VAL N N 41 129.872 129.872 128.100 1.772 18842 7296 1 12 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.215 -0.231 18842 7297 1 12 . 1 1 41 41 VAL C C 41 179.410 179.410 176.697 2.713 18842 7298 1 12 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.759 1.857 18842 7299 1 12 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.774 -0.786 18842 7300 1 12 . 1 1 41 41 VAL H H 41 9.054 9.054 8.710 0.344 18842 7301 1 12 . 1 1 42 42 LEU N N 42 130.076 130.076 129.337 0.739 18842 7302 1 12 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.148 -0.194 18842 7303 1 12 . 1 1 42 42 LEU C C 42 176.121 176.121 178.398 -2.277 18842 7304 1 12 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.033 1.589 18842 7305 1 12 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.556 0.267 18842 7306 1 12 . 1 1 42 42 LEU H H 42 9.193 9.193 8.386 0.807 18842 7307 1 12 . 1 1 43 43 SER N N 43 109.703 109.703 112.242 -2.539 18842 7308 1 12 . 1 1 43 43 SER HA H 43 3.944 3.944 2.271 1.673 18842 7309 1 12 . 1 1 43 43 SER C C 43 175.455 175.455 175.071 0.384 18842 7310 1 12 . 1 1 43 43 SER CA C 43 59.442 59.442 60.492 -1.050 18842 7311 1 12 . 1 1 43 43 SER CB C 43 61.299 61.299 62.558 -1.259 18842 7312 1 12 . 1 1 43 43 SER H H 43 6.961 6.961 8.335 -1.375 18842 7313 1 12 . 1 1 44 44 THR N N 44 110.409 110.409 111.644 -1.235 18842 7314 1 12 . 1 1 44 44 THR HA H 44 4.519 4.519 4.186 0.333 18842 7315 1 12 . 1 1 44 44 THR C C 44 173.493 173.493 175.694 -2.201 18842 7316 1 12 . 1 1 44 44 THR CA C 44 62.076 62.076 63.069 -0.993 18842 7317 1 12 . 1 1 44 44 THR CB C 44 69.788 69.788 70.093 -0.305 18842 7318 1 12 . 1 1 44 44 THR H H 44 7.657 7.657 7.671 -0.014 18842 7319 1 12 . 1 1 45 45 ILE N N 45 120.972 120.972 125.480 -4.508 18842 7320 1 12 . 1 1 45 45 ILE HA H 45 4.325 4.325 3.988 0.337 18842 7321 1 12 . 1 1 45 45 ILE C C 45 173.882 173.882 176.114 -2.232 18842 7322 1 12 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.918 -3.878 18842 7323 1 12 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.371 1.129 18842 7324 1 12 . 1 1 45 45 ILE H H 45 7.089 7.089 7.829 -0.740 18842 7325 1 12 . 1 1 46 46 ASP N N 46 126.759 126.759 127.367 -0.608 18842 7326 1 12 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.357 0.305 18842 7327 1 12 . 1 1 46 46 ASP C C 46 175.424 175.424 175.850 -0.426 18842 7328 1 12 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.206 -1.189 18842 7329 1 12 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.818 2.765 18842 7330 1 12 . 1 1 46 46 ASP H H 46 9.372 9.372 8.284 1.088 18842 7331 1 12 . 1 1 47 47 LYS N N 47 111.663 111.663 112.168 -0.505 18842 7332 1 12 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.507 0.246 18842 7333 1 12 . 1 1 47 47 LYS C C 47 172.574 172.574 173.745 -1.171 18842 7334 1 12 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.484 -0.869 18842 7335 1 12 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.410 1.786 18842 7336 1 12 . 1 1 47 47 LYS H H 47 7.522 7.522 7.711 -0.189 18842 7337 1 12 . 1 1 48 48 LEU N N 48 123.295 123.295 116.957 6.338 18842 7338 1 12 . 1 1 48 48 LEU HA H 48 5.143 5.143 5.407 -0.264 18842 7339 1 12 . 1 1 48 48 LEU C C 48 174.770 174.770 174.958 -0.188 18842 7340 1 12 . 1 1 48 48 LEU CA C 48 52.936 52.936 52.869 0.067 18842 7341 1 12 . 1 1 48 48 LEU CB C 48 45.580 45.580 45.278 0.303 18842 7342 1 12 . 1 1 48 48 LEU H H 48 8.938 8.938 8.481 0.457 18842 7343 1 12 . 1 1 49 49 GLN N N 49 120.979 120.979 118.121 2.858 18842 7344 1 12 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.756 0.756 18842 7345 1 12 . 1 1 49 49 GLN C C 49 174.626 174.626 174.144 0.482 18842 7346 1 12 . 1 1 49 49 GLN CA C 49 53.631 53.631 53.976 -0.345 18842 7347 1 12 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.327 0.762 18842 7348 1 12 . 1 1 49 49 GLN H H 49 9.246 9.246 9.087 0.159 18842 7349 1 12 . 1 1 50 50 ALA N N 50 122.440 122.440 123.275 -0.835 18842 7350 1 12 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.466 1.341 18842 7351 1 12 . 1 1 50 50 ALA C C 50 177.277 177.277 176.471 0.806 18842 7352 1 12 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.892 -1.271 18842 7353 1 12 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.375 3.148 18842 7354 1 12 . 1 1 50 50 ALA H H 50 9.365 9.365 8.366 0.999 18842 7355 1 12 . 1 1 51 51 THR N N 51 114.289 114.289 116.260 -1.971 18842 7356 1 12 . 1 1 51 51 THR HA H 51 4.615 4.615 4.624 -0.009 18842 7357 1 12 . 1 1 51 51 THR CA C 51 59.197 59.197 58.834 0.363 18842 7358 1 12 . 1 1 51 51 THR CB C 51 67.937 67.937 68.191 -0.254 18842 7359 1 12 . 1 1 51 51 THR H H 51 8.368 8.368 8.086 0.282 18842 7360 1 12 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.208 0.323 18842 7361 1 12 . 1 1 52 52 PRO C C 52 178.380 178.380 178.434 -0.054 18842 7362 1 12 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.714 -0.339 18842 7363 1 12 . 1 1 52 52 PRO CB C 52 32.640 32.640 31.951 0.689 18842 7364 1 12 . 1 1 53 53 ALA N N 53 126.235 126.235 123.394 2.841 18842 7365 1 12 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.015 0.015 18842 7366 1 12 . 1 1 53 53 ALA C C 53 177.700 177.700 178.254 -0.554 18842 7367 1 12 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.203 0.591 18842 7368 1 12 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.414 -0.395 18842 7369 1 12 . 1 1 53 53 ALA H H 53 9.122 9.122 8.735 0.387 18842 7370 1 12 . 1 1 54 54 SER N N 54 107.216 107.216 113.141 -5.925 18842 7371 1 12 . 1 1 54 54 SER HA H 54 4.238 4.238 4.325 -0.087 18842 7372 1 12 . 1 1 54 54 SER C C 54 174.957 174.957 174.628 0.329 18842 7373 1 12 . 1 1 54 54 SER CA C 54 58.260 58.260 59.122 -0.862 18842 7374 1 12 . 1 1 54 54 SER CB C 54 63.120 63.120 63.045 0.075 18842 7375 1 12 . 1 1 54 54 SER H H 54 7.620 7.620 8.082 -0.462 18842 7376 1 12 . 1 1 55 55 SER N N 55 117.523 117.523 117.084 0.439 18842 7377 1 12 . 1 1 55 55 SER HA H 55 4.469 4.469 4.509 -0.040 18842 7378 1 12 . 1 1 55 55 SER C C 55 174.952 174.952 174.013 0.939 18842 7379 1 12 . 1 1 55 55 SER CA C 55 57.500 57.500 57.712 -0.212 18842 7380 1 12 . 1 1 55 55 SER CB C 55 63.801 63.801 64.141 -0.340 18842 7381 1 12 . 1 1 55 55 SER H H 55 7.676 7.676 7.884 -0.208 18842 7382 1 12 . 1 1 56 56 GLU N N 56 124.557 124.557 126.579 -2.022 18842 7383 1 12 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.092 0.087 18842 7384 1 12 . 1 1 56 56 GLU C C 56 177.924 177.924 176.496 1.428 18842 7385 1 12 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.205 -0.544 18842 7386 1 12 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.968 -0.140 18842 7387 1 12 . 1 1 56 56 GLU H H 56 8.844 8.844 8.852 -0.008 18842 7388 1 12 . 1 1 57 57 LYS N N 57 119.220 119.220 119.314 -0.094 18842 7389 1 12 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.506 -0.210 18842 7390 1 12 . 1 1 57 57 LYS C C 57 175.667 175.667 175.436 0.231 18842 7391 1 12 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.586 1.269 18842 7392 1 12 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.195 1.660 18842 7393 1 12 . 1 1 57 57 LYS H H 57 8.259 8.259 7.840 0.419 18842 7394 1 12 . 1 1 58 58 MET N N 58 123.270 123.270 125.295 -2.025 18842 7395 1 12 . 1 1 58 58 MET HA H 58 4.288 4.288 4.724 -0.436 18842 7396 1 12 . 1 1 58 58 MET C C 58 174.107 174.107 175.594 -1.487 18842 7397 1 12 . 1 1 58 58 MET CA C 58 55.067 55.067 55.170 -0.103 18842 7398 1 12 . 1 1 58 58 MET CB C 58 35.381 35.381 32.348 3.033 18842 7399 1 12 . 1 1 58 58 MET H H 58 8.811 8.811 8.888 -0.077 18842 7400 1 12 . 1 1 59 59 MET N N 59 120.490 120.490 122.751 -2.261 18842 7401 1 12 . 1 1 59 59 MET HA H 59 5.873 5.873 5.169 0.704 18842 7402 1 12 . 1 1 59 59 MET C C 59 174.459 174.459 174.410 0.049 18842 7403 1 12 . 1 1 59 59 MET CA C 59 54.903 54.903 55.213 -0.310 18842 7404 1 12 . 1 1 59 59 MET CB C 59 39.231 39.231 37.004 2.227 18842 7405 1 12 . 1 1 59 59 MET H H 59 8.395 8.395 9.411 -1.016 18842 7406 1 12 . 1 1 60 60 LEU N N 60 118.105 118.105 121.770 -3.665 18842 7407 1 12 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.637 1.027 18842 7408 1 12 . 1 1 60 60 LEU C C 60 175.664 175.664 175.222 0.442 18842 7409 1 12 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.053 -0.925 18842 7410 1 12 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.377 3.058 18842 7411 1 12 . 1 1 60 60 LEU H H 60 9.103 9.103 8.561 0.542 18842 7412 1 12 . 1 1 61 61 ARG N N 61 120.757 120.757 118.311 2.446 18842 7413 1 12 . 1 1 61 61 ARG HA H 61 5.458 5.458 4.999 0.459 18842 7414 1 12 . 1 1 61 61 ARG C C 61 173.515 173.515 174.323 -0.808 18842 7415 1 12 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.606 0.118 18842 7416 1 12 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.214 0.918 18842 7417 1 12 . 1 1 61 61 ARG H H 61 9.287 9.287 8.234 1.053 18842 7418 1 12 . 1 1 62 62 LEU N N 62 127.139 127.139 124.761 2.378 18842 7419 1 12 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.926 0.103 18842 7420 1 12 . 1 1 62 62 LEU C C 62 175.440 175.440 174.887 0.553 18842 7421 1 12 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.577 0.823 18842 7422 1 12 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.378 -2.275 18842 7423 1 12 . 1 1 62 62 LEU H H 62 9.307 9.307 8.754 0.553 18842 7424 1 12 . 1 1 63 63 ILE N N 63 123.292 123.292 125.791 -2.499 18842 7425 1 12 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.232 0.356 18842 7426 1 12 . 1 1 63 63 ILE C C 63 176.319 176.319 175.584 0.735 18842 7427 1 12 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.350 0.037 18842 7428 1 12 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.182 -0.061 18842 7429 1 12 . 1 1 63 63 ILE H H 63 8.891 8.891 9.181 -0.290 18842 7430 1 12 . 1 1 64 64 GLY N N 64 115.565 115.565 115.039 0.526 18842 7431 1 12 . 1 1 64 64 GLY C C 64 172.551 172.551 172.818 -0.267 18842 7432 1 12 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.470 1.959 18842 7433 1 12 . 1 1 64 64 GLY H H 64 9.356 9.356 8.193 1.163 18842 7434 1 12 . 1 1 65 65 LYS N N 65 119.442 119.442 119.713 -0.271 18842 7435 1 12 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.191 0.104 18842 7436 1 12 . 1 1 65 65 LYS C C 65 176.205 176.205 177.052 -0.847 18842 7437 1 12 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.978 -0.390 18842 7438 1 12 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.931 1.423 18842 7439 1 12 . 1 1 65 65 LYS H H 65 8.361 8.361 8.247 0.114 18842 7440 1 12 . 1 1 66 66 VAL N N 66 122.131 122.131 124.898 -2.767 18842 7441 1 12 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.186 -0.100 18842 7442 1 12 . 1 1 66 66 VAL C C 66 175.265 175.265 174.792 0.473 18842 7443 1 12 . 1 1 66 66 VAL CA C 66 62.063 62.063 62.068 -0.005 18842 7444 1 12 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.246 0.018 18842 7445 1 12 . 1 1 66 66 VAL H H 66 8.637 8.637 8.179 0.458 18842 7446 1 12 . 1 1 67 67 ASP N N 67 125.510 125.510 117.262 8.248 18842 7447 1 12 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.673 0.054 18842 7448 1 12 . 1 1 67 67 ASP C C 67 176.708 176.708 174.664 2.044 18842 7449 1 12 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.355 -1.216 18842 7450 1 12 . 1 1 67 67 ASP CB C 67 40.930 40.930 42.218 -1.288 18842 7451 1 12 . 1 1 67 67 ASP H H 67 8.460 8.460 8.377 0.083 18842 7452 1 12 . 1 1 68 68 GLU N N 68 124.449 124.449 121.581 2.868 18842 7453 1 12 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.579 -0.491 18842 7454 1 12 . 1 1 68 68 GLU C C 68 177.451 177.451 175.806 1.645 18842 7455 1 12 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.077 1.778 18842 7456 1 12 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.240 -0.563 18842 7457 1 12 . 1 1 68 68 GLU H H 68 8.752 8.752 8.542 0.210 18842 7458 1 12 . 1 1 69 69 SER N N 69 115.515 115.515 114.211 1.304 18842 7459 1 12 . 1 1 69 69 SER HA H 69 4.329 4.329 4.586 -0.257 18842 7460 1 12 . 1 1 69 69 SER C C 69 175.277 175.277 173.705 1.572 18842 7461 1 12 . 1 1 69 69 SER CA C 69 60.139 60.139 59.024 1.115 18842 7462 1 12 . 1 1 69 69 SER CB C 69 63.223 63.223 62.928 0.295 18842 7463 1 12 . 1 1 69 69 SER H H 69 8.497 8.497 8.351 0.146 18842 7464 1 12 . 1 1 70 70 LYS N N 70 121.733 121.733 120.652 1.081 18842 7465 1 12 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.408 0.002 18842 7466 1 12 . 1 1 70 70 LYS C C 70 177.124 177.124 175.324 1.800 18842 7467 1 12 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.227 -0.903 18842 7468 1 12 . 1 1 70 70 LYS H H 70 7.689 7.689 7.982 -0.293 18842 7469 1 12 . 1 1 71 71 LYS N N 71 121.012 121.012 119.016 1.996 18842 7470 1 12 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.973 0.434 18842 7471 1 12 . 1 1 71 71 LYS C C 71 176.175 176.175 175.975 0.200 18842 7472 1 12 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.249 -0.637 18842 7473 1 12 . 1 1 71 71 LYS H H 71 7.750 7.750 8.310 -0.560 18842 7474 1 12 . 1 1 72 72 ARG N N 72 122.064 122.064 121.331 0.733 18842 7475 1 12 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.698 -0.097 18842 7476 1 12 . 1 1 72 72 ARG C C 72 175.228 175.228 175.021 0.207 18842 7477 1 12 . 1 1 72 72 ARG CA C 72 54.929 54.929 53.850 1.079 18842 7478 1 12 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.662 -0.337 18842 7479 1 12 . 1 1 72 72 ARG H H 72 8.420 8.420 8.227 0.193 18842 7480 1 12 . 1 1 73 73 LYS N N 73 121.217 121.217 118.583 2.634 18842 7481 1 12 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.258 0.675 18842 7482 1 12 . 1 1 73 73 LYS C C 73 177.010 177.010 176.319 0.691 18842 7483 1 12 . 1 1 73 73 LYS CA C 73 55.205 55.205 56.064 -0.859 18842 7484 1 12 . 1 1 73 73 LYS CB C 73 34.680 34.680 32.632 2.048 18842 7485 1 12 . 1 1 73 73 LYS H H 73 8.401 8.401 8.325 0.076 18842 7486 1 12 . 1 1 74 74 ASP N N 74 122.025 122.025 119.434 2.591 18842 7487 1 12 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.752 -0.042 18842 7488 1 12 . 1 1 74 74 ASP C C 74 177.475 177.475 176.424 1.051 18842 7489 1 12 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.083 -0.327 18842 7490 1 12 . 1 1 74 74 ASP CB C 74 41.022 41.022 40.876 0.146 18842 7491 1 12 . 1 1 74 74 ASP H H 74 8.582 8.582 8.280 0.302 18842 7492 1 12 . 1 1 75 75 ASN N N 75 116.228 116.228 117.422 -1.194 18842 7493 1 12 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.393 0.143 18842 7494 1 12 . 1 1 75 75 ASN C C 75 175.999 175.999 175.365 0.634 18842 7495 1 12 . 1 1 75 75 ASN CA C 75 54.853 54.853 55.536 -0.683 18842 7496 1 12 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.365 0.767 18842 7497 1 12 . 1 1 75 75 ASN H H 75 8.433 8.433 8.690 -0.257 18842 7498 1 12 . 1 1 76 76 GLU N N 76 118.958 118.958 121.063 -2.105 18842 7499 1 12 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.403 -0.022 18842 7500 1 12 . 1 1 76 76 GLU C C 76 176.556 176.556 176.676 -0.120 18842 7501 1 12 . 1 1 76 76 GLU CA C 76 56.163 56.163 57.029 -0.866 18842 7502 1 12 . 1 1 76 76 GLU H H 76 8.162 8.162 8.246 -0.084 18842 7503 1 12 . 1 1 77 77 GLY N N 77 108.062 108.062 106.980 1.082 18842 7504 1 12 . 1 1 77 77 GLY C C 77 174.247 174.247 172.693 1.554 18842 7505 1 12 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.577 0.633 18842 7506 1 12 . 1 1 77 77 GLY H H 77 8.106 8.106 7.846 0.260 18842 7507 1 12 . 1 1 78 78 ASN N N 78 119.929 119.929 118.722 1.207 18842 7508 1 12 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.753 -0.007 18842 7509 1 12 . 1 1 78 78 ASN C C 78 175.035 175.035 174.694 0.341 18842 7510 1 12 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.673 0.122 18842 7511 1 12 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.313 -0.368 18842 7512 1 12 . 1 1 78 78 ASN H H 78 8.569 8.569 8.229 0.340 18842 7513 1 12 . 1 1 79 79 GLU N N 79 121.658 121.658 125.043 -3.385 18842 7514 1 12 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.106 0.375 18842 7515 1 12 . 1 1 79 79 GLU C C 79 176.302 176.302 175.947 0.355 18842 7516 1 12 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.517 -0.855 18842 7517 1 12 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.335 2.308 18842 7518 1 12 . 1 1 79 79 GLU H H 79 8.691 8.691 8.654 0.037 18842 7519 1 12 . 1 1 80 80 VAL N N 80 123.997 123.997 120.081 3.916 18842 7520 1 12 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.537 -0.282 18842 7521 1 12 . 1 1 80 80 VAL C C 80 175.544 175.544 174.201 1.343 18842 7522 1 12 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.846 1.448 18842 7523 1 12 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.972 -1.429 18842 7524 1 12 . 1 1 80 80 VAL H H 80 8.581 8.581 7.886 0.695 18842 7525 1 12 . 1 1 81 81 VAL N N 81 126.545 126.545 118.157 8.388 18842 7526 1 12 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.453 -0.027 18842 7527 1 12 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.682 0.869 18842 7528 1 12 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.347 0.547 18842 7529 1 12 . 1 1 81 81 VAL H H 81 8.407 8.407 8.136 0.271 18842 7530 1 12 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.353 0.079 18842 7531 1 12 . 1 1 82 82 PRO C C 82 176.036 176.036 176.660 -0.624 18842 7532 1 12 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.386 -0.821 18842 7533 1 12 . 1 1 83 83 LYS N N 83 121.727 121.727 125.584 -3.857 18842 7534 1 12 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.264 0.287 18842 7535 1 12 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.964 -2.185 18842 7536 1 12 . 1 1 83 83 LYS H H 83 8.316 8.316 8.303 0.013 18842 7537 1 12 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.416 -0.123 18842 7538 1 12 . 1 1 84 84 PRO C C 84 176.883 176.883 176.142 0.741 18842 7539 1 12 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.694 -0.218 18842 7540 1 12 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.500 -0.059 18842 7541 1 12 . 1 1 85 85 GLN N N 85 121.423 121.423 122.169 -0.746 18842 7542 1 12 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.072 0.073 18842 7543 1 12 . 1 1 85 85 GLN C C 85 175.026 175.026 175.028 -0.002 18842 7544 1 12 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.772 -0.731 18842 7545 1 12 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.656 1.153 18842 7546 1 12 . 1 1 85 85 GLN H H 85 8.471 8.471 8.516 -0.045 18842 7547 1 12 . 1 1 86 86 ARG N N 86 120.972 120.972 121.906 -0.934 18842 7548 1 12 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.892 0.295 18842 7549 1 12 . 1 1 86 86 ARG C C 86 175.091 175.091 175.250 -0.159 18842 7550 1 12 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.838 0.554 18842 7551 1 12 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.821 -0.393 18842 7552 1 12 . 1 1 86 86 ARG H H 86 8.265 8.265 8.025 0.240 18842 7553 1 12 . 1 1 87 87 HIS N N 87 120.390 120.390 119.669 0.721 18842 7554 1 12 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.694 0.051 18842 7555 1 12 . 1 1 87 87 HIS C C 87 173.730 173.730 173.743 -0.013 18842 7556 1 12 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.479 -0.272 18842 7557 1 12 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.622 2.975 18842 7558 1 12 . 1 1 87 87 HIS H H 87 8.590 8.590 8.782 -0.192 18842 7559 1 12 . 1 1 88 88 MET N N 88 126.611 126.611 124.629 1.982 18842 7560 1 12 . 1 1 88 88 MET HA H 88 5.320 5.320 4.388 0.932 18842 7561 1 12 . 1 1 88 88 MET C C 88 173.520 173.520 174.185 -0.665 18842 7562 1 12 . 1 1 88 88 MET CA C 88 54.782 54.782 55.333 -0.551 18842 7563 1 12 . 1 1 88 88 MET CB C 88 35.451 35.451 32.908 2.543 18842 7564 1 12 . 1 1 88 88 MET H H 88 8.716 8.716 8.857 -0.141 18842 7565 1 12 . 1 1 89 89 PHE N N 89 122.328 122.328 123.615 -1.287 18842 7566 1 12 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.230 -0.020 18842 7567 1 12 . 1 1 89 89 PHE C C 89 174.448 174.448 175.862 -1.414 18842 7568 1 12 . 1 1 89 89 PHE CA C 89 56.452 56.452 56.124 0.328 18842 7569 1 12 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.876 2.212 18842 7570 1 12 . 1 1 89 89 PHE H H 89 8.989 8.989 8.597 0.392 18842 7571 1 12 . 1 1 90 90 SER N N 90 116.094 116.094 115.696 0.398 18842 7572 1 12 . 1 1 90 90 SER HA H 90 5.681 5.681 4.960 0.721 18842 7573 1 12 . 1 1 90 90 SER C C 90 173.094 173.094 173.044 0.050 18842 7574 1 12 . 1 1 90 90 SER CA C 90 56.645 56.645 57.000 -0.355 18842 7575 1 12 . 1 1 90 90 SER CB C 90 64.824 64.824 64.640 0.184 18842 7576 1 12 . 1 1 90 90 SER H H 90 8.680 8.680 9.092 -0.412 18842 7577 1 12 . 1 1 91 91 PHE N N 91 120.812 120.812 123.752 -2.940 18842 7578 1 12 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.859 0.035 18842 7579 1 12 . 1 1 91 91 PHE C C 91 174.500 174.500 175.081 -0.581 18842 7580 1 12 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.312 0.090 18842 7581 1 12 . 1 1 91 91 PHE CB C 91 43.327 43.327 42.140 1.187 18842 7582 1 12 . 1 1 91 91 PHE H H 91 9.050 9.050 8.624 0.426 18842 7583 1 12 . 1 1 92 92 ASN N N 92 115.876 115.876 117.120 -1.244 18842 7584 1 12 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.831 0.271 18842 7585 1 12 . 1 1 92 92 ASN C C 92 174.901 174.901 174.708 0.193 18842 7586 1 12 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.621 -1.414 18842 7587 1 12 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.803 -0.939 18842 7588 1 12 . 1 1 92 92 ASN H H 92 9.135 9.135 9.054 0.081 18842 7589 1 12 . 1 1 93 93 ASN N N 93 118.335 118.335 118.596 -0.261 18842 7590 1 12 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.913 -0.012 18842 7591 1 12 . 1 1 93 93 ASN C C 93 174.579 174.579 174.730 -0.151 18842 7592 1 12 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.062 0.966 18842 7593 1 12 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.251 1.551 18842 7594 1 12 . 1 1 93 93 ASN H H 93 7.271 7.271 8.271 -1.000 18842 7595 1 12 . 1 1 94 94 ARG N N 94 129.027 129.027 117.640 11.387 18842 7596 1 12 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.493 -0.628 18842 7597 1 12 . 1 1 94 94 ARG C C 94 176.782 176.782 177.280 -0.498 18842 7598 1 12 . 1 1 94 94 ARG CA C 94 59.051 59.051 57.450 1.601 18842 7599 1 12 . 1 1 94 94 ARG H H 94 9.334 9.334 8.629 0.705 18842 7600 1 12 . 1 1 95 95 THR N N 95 115.756 115.756 116.019 -0.263 18842 7601 1 12 . 1 1 95 95 THR HA H 95 4.028 4.028 4.227 -0.199 18842 7602 1 12 . 1 1 95 95 THR C C 95 176.742 176.742 175.632 1.110 18842 7603 1 12 . 1 1 95 95 THR CA C 95 66.325 66.325 65.656 0.669 18842 7604 1 12 . 1 1 95 95 THR CB C 95 68.281 68.281 68.343 -0.062 18842 7605 1 12 . 1 1 95 95 THR H H 95 8.000 8.000 8.002 -0.002 18842 7606 1 12 . 1 1 96 96 VAL N N 96 121.852 121.852 119.898 1.954 18842 7607 1 12 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.826 -0.030 18842 7608 1 12 . 1 1 96 96 VAL C C 96 177.587 177.587 176.938 0.649 18842 7609 1 12 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.170 -0.212 18842 7610 1 12 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.959 0.068 18842 7611 1 12 . 1 1 96 96 VAL H H 96 7.609 7.609 8.357 -0.748 18842 7612 1 12 . 1 1 97 97 MET N N 97 117.469 117.469 115.706 1.763 18842 7613 1 12 . 1 1 97 97 MET HA H 97 2.337 2.337 3.739 -1.402 18842 7614 1 12 . 1 1 97 97 MET C C 97 177.257 177.257 177.420 -0.163 18842 7615 1 12 . 1 1 97 97 MET H H 97 7.337 7.337 7.982 -0.645 18842 7616 1 12 . 1 1 98 98 ASP N N 98 118.162 118.162 120.469 -2.307 18842 7617 1 12 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.393 -0.077 18842 7618 1 12 . 1 1 98 98 ASP C C 98 178.771 178.771 178.577 0.194 18842 7619 1 12 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.836 -0.282 18842 7620 1 12 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.675 -0.896 18842 7621 1 12 . 1 1 98 98 ASP H H 98 8.729 8.729 7.861 0.868 18842 7622 1 12 . 1 1 99 99 ASN N N 99 120.303 120.303 118.275 2.028 18842 7623 1 12 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.556 -0.087 18842 7624 1 12 . 1 1 99 99 ASN C C 99 178.220 178.220 177.171 1.049 18842 7625 1 12 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.793 0.301 18842 7626 1 12 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.366 0.006 18842 7627 1 12 . 1 1 99 99 ASN H H 99 8.104 8.104 7.666 0.438 18842 7628 1 12 . 1 1 100 100 ILE N N 100 121.160 121.160 120.605 0.555 18842 7629 1 12 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.742 -0.096 18842 7630 1 12 . 1 1 100 100 ILE C C 100 177.361 177.361 177.696 -0.335 18842 7631 1 12 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.091 -1.345 18842 7632 1 12 . 1 1 100 100 ILE CB C 100 35.702 35.702 36.977 -1.275 18842 7633 1 12 . 1 1 100 100 ILE H H 100 8.020 8.020 7.770 0.250 18842 7634 1 12 . 1 1 101 101 LYS N N 101 120.747 120.747 119.901 0.846 18842 7635 1 12 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.977 -0.293 18842 7636 1 12 . 1 1 101 101 LYS C C 101 177.127 177.127 178.992 -1.865 18842 7637 1 12 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.608 0.552 18842 7638 1 12 . 1 1 101 101 LYS CB C 101 32.997 32.997 31.835 1.162 18842 7639 1 12 . 1 1 101 101 LYS H H 101 8.907 8.907 7.970 0.937 18842 7640 1 12 . 1 1 102 102 MET N N 102 116.126 116.126 116.869 -0.743 18842 7641 1 12 . 1 1 102 102 MET HA H 102 4.245 4.245 4.388 -0.143 18842 7642 1 12 . 1 1 102 102 MET C C 102 178.941 178.941 178.152 0.789 18842 7643 1 12 . 1 1 102 102 MET CA C 102 58.367 58.367 58.003 0.364 18842 7644 1 12 . 1 1 102 102 MET CB C 102 32.055 32.055 32.974 -0.919 18842 7645 1 12 . 1 1 102 102 MET H H 102 8.002 8.002 7.614 0.388 18842 7646 1 12 . 1 1 103 103 THR N N 103 117.988 117.988 116.304 1.684 18842 7647 1 12 . 1 1 103 103 THR HA H 103 3.861 3.861 4.087 -0.226 18842 7648 1 12 . 1 1 103 103 THR C C 103 176.493 176.493 176.234 0.259 18842 7649 1 12 . 1 1 103 103 THR CA C 103 66.168 66.168 64.911 1.257 18842 7650 1 12 . 1 1 103 103 THR CB C 103 67.923 67.923 68.686 -0.763 18842 7651 1 12 . 1 1 103 103 THR H H 103 7.694 7.694 7.932 -0.238 18842 7652 1 12 . 1 1 104 104 LEU N N 104 119.248 119.248 121.918 -2.670 18842 7653 1 12 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.971 -0.091 18842 7654 1 12 . 1 1 104 104 LEU C C 104 178.072 178.072 178.116 -0.044 18842 7655 1 12 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.754 -0.708 18842 7656 1 12 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.428 1.466 18842 7657 1 12 . 1 1 104 104 LEU H H 104 8.530 8.530 8.774 -0.244 18842 7658 1 12 . 1 1 105 105 GLN N N 105 119.071 119.071 117.349 1.722 18842 7659 1 12 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.808 0.160 18842 7660 1 12 . 1 1 105 105 GLN C C 105 178.675 178.675 178.063 0.612 18842 7661 1 12 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.990 0.083 18842 7662 1 12 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.769 0.199 18842 7663 1 12 . 1 1 105 105 GLN H H 105 8.623 8.623 7.805 0.818 18842 7664 1 12 . 1 1 106 106 GLN N N 106 117.946 117.946 118.901 -0.955 18842 7665 1 12 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.097 -0.058 18842 7666 1 12 . 1 1 106 106 GLN C C 106 178.677 178.677 178.077 0.600 18842 7667 1 12 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.234 0.480 18842 7668 1 12 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.141 0.323 18842 7669 1 12 . 1 1 106 106 GLN H H 106 7.581 7.581 7.928 -0.347 18842 7670 1 12 . 1 1 107 107 ILE N N 107 120.013 120.013 118.181 1.832 18842 7671 1 12 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.806 -0.341 18842 7672 1 12 . 1 1 107 107 ILE C C 107 177.586 177.586 178.434 -0.848 18842 7673 1 12 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.124 1.358 18842 7674 1 12 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.563 0.576 18842 7675 1 12 . 1 1 107 107 ILE H H 107 7.801 7.801 7.997 -0.196 18842 7676 1 12 . 1 1 108 108 ILE N N 108 117.686 117.686 122.412 -4.726 18842 7677 1 12 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.858 -0.074 18842 7678 1 12 . 1 1 108 108 ILE C C 108 179.171 179.171 178.484 0.687 18842 7679 1 12 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.471 0.132 18842 7680 1 12 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.480 0.761 18842 7681 1 12 . 1 1 108 108 ILE H H 108 8.734 8.734 8.463 0.271 18842 7682 1 12 . 1 1 109 109 SER N N 109 114.198 114.198 114.616 -0.418 18842 7683 1 12 . 1 1 109 109 SER HA H 109 4.214 4.214 4.128 0.086 18842 7684 1 12 . 1 1 109 109 SER C C 109 176.381 176.381 175.985 0.396 18842 7685 1 12 . 1 1 109 109 SER CA C 109 61.564 61.564 61.623 -0.059 18842 7686 1 12 . 1 1 109 109 SER CB C 109 62.831 62.831 62.850 -0.019 18842 7687 1 12 . 1 1 109 109 SER H H 109 7.881 7.881 8.567 -0.686 18842 7688 1 12 . 1 1 110 110 ARG N N 110 121.010 121.010 119.976 1.034 18842 7689 1 12 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.912 0.225 18842 7690 1 12 . 1 1 110 110 ARG C C 110 178.636 178.636 177.971 0.665 18842 7691 1 12 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.704 -0.328 18842 7692 1 12 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.887 -0.037 18842 7693 1 12 . 1 1 110 110 ARG H H 110 7.550 7.550 7.352 0.198 18842 7694 1 12 . 1 1 111 111 TYR N N 111 117.243 117.243 115.447 1.796 18842 7695 1 12 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.644 0.151 18842 7696 1 12 . 1 1 111 111 TYR C C 111 176.218 176.218 177.006 -0.788 18842 7697 1 12 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.494 -0.920 18842 7698 1 12 . 1 1 111 111 TYR CB C 111 37.492 37.492 38.317 -0.825 18842 7699 1 12 . 1 1 111 111 TYR H H 111 7.496 7.496 7.531 -0.035 18842 7700 1 12 . 1 1 112 112 LYS N N 112 121.040 121.040 121.144 -0.104 18842 7701 1 12 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.015 0.319 18842 7702 1 12 . 1 1 112 112 LYS C C 112 177.437 177.437 178.205 -0.768 18842 7703 1 12 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.548 -1.918 18842 7704 1 12 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.194 0.396 18842 7705 1 12 . 1 1 112 112 LYS H H 112 7.755 7.755 7.786 -0.031 18842 7706 1 12 . 1 1 113 113 ASP N N 113 120.593 120.593 119.099 1.494 18842 7707 1 12 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.446 0.191 18842 7708 1 12 . 1 1 113 113 ASP C C 113 176.587 176.587 177.345 -0.758 18842 7709 1 12 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.775 0.318 18842 7710 1 12 . 1 1 113 113 ASP H H 113 8.246 8.246 8.061 0.185 18842 7711 1 12 . 1 1 114 114 ALA N N 114 123.721 123.721 120.845 2.876 18842 7712 1 12 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.251 0.098 18842 7713 1 12 . 1 1 114 114 ALA C C 114 178.004 178.004 178.338 -0.334 18842 7714 1 12 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.192 -0.306 18842 7715 1 12 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.265 -0.000 18842 7716 1 12 . 1 1 114 114 ALA H H 114 8.038 8.038 7.950 0.088 18842 7717 1 13 . 1 1 2 2 SER N N 2 113.417 113.417 116.259 -2.842 18842 7718 1 13 . 1 1 2 2 SER HA H 2 4.355 4.355 4.247 0.108 18842 7719 1 13 . 1 1 2 2 SER CA C 2 58.647 58.647 60.331 -1.684 18842 7720 1 13 . 1 1 2 2 SER CB C 2 63.504 63.504 63.451 0.053 18842 7721 1 13 . 1 1 2 2 SER H H 2 8.096 8.096 8.480 -0.384 18842 7722 1 13 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.710 -0.033 18842 7723 1 13 . 1 1 3 3 HIS C C 3 173.601 173.601 173.251 0.350 18842 7724 1 13 . 1 1 3 3 HIS CA C 3 56.229 56.229 53.171 3.058 18842 7725 1 13 . 1 1 3 3 HIS CB C 3 31.323 31.323 27.229 4.094 18842 7726 1 13 . 1 1 4 4 SER N N 4 113.555 113.555 114.132 -0.577 18842 7727 1 13 . 1 1 4 4 SER HA H 4 5.483 5.483 4.934 0.549 18842 7728 1 13 . 1 1 4 4 SER C C 4 173.624 173.624 172.864 0.760 18842 7729 1 13 . 1 1 4 4 SER CA C 4 56.904 56.904 58.457 -1.553 18842 7730 1 13 . 1 1 4 4 SER CB C 4 65.900 65.900 65.345 0.555 18842 7731 1 13 . 1 1 4 4 SER H H 4 7.865 7.865 7.831 0.034 18842 7732 1 13 . 1 1 5 5 GLY N N 5 107.050 107.050 107.095 -0.045 18842 7733 1 13 . 1 1 5 5 GLY C C 5 170.915 170.915 171.934 -1.019 18842 7734 1 13 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.246 1.171 18842 7735 1 13 . 1 1 5 5 GLY H H 5 8.370 8.370 8.761 -0.391 18842 7736 1 13 . 1 1 6 6 ALA N N 6 125.347 125.347 123.332 2.015 18842 7737 1 13 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.634 0.319 18842 7738 1 13 . 1 1 6 6 ALA C C 6 176.816 176.816 176.457 0.359 18842 7739 1 13 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.257 0.348 18842 7740 1 13 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.844 0.529 18842 7741 1 13 . 1 1 6 6 ALA H H 6 8.671 8.671 8.438 0.233 18842 7742 1 13 . 1 1 7 7 ALA N N 7 120.077 120.077 125.673 -5.596 18842 7743 1 13 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.400 0.262 18842 7744 1 13 . 1 1 7 7 ALA C C 7 176.697 176.697 175.801 0.896 18842 7745 1 13 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.783 1.885 18842 7746 1 13 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.664 2.384 18842 7747 1 13 . 1 1 7 7 ALA H H 7 8.391 8.391 7.902 0.489 18842 7748 1 13 . 1 1 8 8 ILE N N 8 125.517 125.517 117.398 8.119 18842 7749 1 13 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.127 -0.140 18842 7750 1 13 . 1 1 8 8 ILE C C 8 175.327 175.327 174.820 0.507 18842 7751 1 13 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.111 -0.267 18842 7752 1 13 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.239 -1.650 18842 7753 1 13 . 1 1 8 8 ILE H H 8 9.383 9.383 7.990 1.393 18842 7754 1 13 . 1 1 9 9 PHE N N 9 128.853 128.853 125.015 3.838 18842 7755 1 13 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.779 -0.462 18842 7756 1 13 . 1 1 9 9 PHE C C 9 173.920 173.920 174.606 -0.686 18842 7757 1 13 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.344 -0.226 18842 7758 1 13 . 1 1 9 9 PHE CB C 9 39.825 39.825 43.079 -3.254 18842 7759 1 13 . 1 1 9 9 PHE H H 9 8.467 8.467 9.306 -0.839 18842 7760 1 13 . 1 1 10 10 GLU N N 10 126.396 126.396 124.488 1.908 18842 7761 1 13 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.537 -0.335 18842 7762 1 13 . 1 1 10 10 GLU C C 10 175.226 175.226 176.068 -0.842 18842 7763 1 13 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.744 -1.064 18842 7764 1 13 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.254 -1.559 18842 7765 1 13 . 1 1 10 10 GLU H H 10 8.769 8.769 8.713 0.056 18842 7766 1 13 . 1 1 11 11 LYS N N 11 105.585 105.585 111.423 -5.838 18842 7767 1 13 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.855 -0.453 18842 7768 1 13 . 1 1 11 11 LYS C C 11 175.596 175.596 175.365 0.231 18842 7769 1 13 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.745 0.703 18842 7770 1 13 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.322 -1.188 18842 7771 1 13 . 1 1 11 11 LYS H H 11 7.931 7.931 8.344 -0.413 18842 7772 1 13 . 1 1 12 12 VAL N N 12 123.819 123.819 121.871 1.948 18842 7773 1 13 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.415 0.002 18842 7774 1 13 . 1 1 12 12 VAL C C 12 175.188 175.188 174.578 0.610 18842 7775 1 13 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.406 1.279 18842 7776 1 13 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.255 -0.076 18842 7777 1 13 . 1 1 12 12 VAL H H 12 7.954 7.954 8.136 -0.182 18842 7778 1 13 . 1 1 13 13 SER N N 13 121.981 121.981 122.862 -0.881 18842 7779 1 13 . 1 1 13 13 SER HA H 13 4.624 4.624 4.893 -0.269 18842 7780 1 13 . 1 1 13 13 SER C C 13 175.408 175.408 174.244 1.164 18842 7781 1 13 . 1 1 13 13 SER CA C 13 59.766 59.766 58.321 1.445 18842 7782 1 13 . 1 1 13 13 SER CB C 13 63.591 63.591 64.458 -0.867 18842 7783 1 13 . 1 1 13 13 SER H H 13 8.895 8.895 8.780 0.116 18842 7784 1 13 . 1 1 14 14 GLY N N 14 113.215 113.215 109.826 3.389 18842 7785 1 13 . 1 1 14 14 GLY C C 14 172.790 172.790 172.174 0.616 18842 7786 1 13 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.297 1.240 18842 7787 1 13 . 1 1 14 14 GLY H H 14 8.287 8.287 9.334 -1.047 18842 7788 1 13 . 1 1 15 15 ILE N N 15 123.244 123.244 119.874 3.370 18842 7789 1 13 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.390 0.430 18842 7790 1 13 . 1 1 15 15 ILE C C 15 175.417 175.417 174.052 1.365 18842 7791 1 13 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.517 -0.214 18842 7792 1 13 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.234 1.562 18842 7793 1 13 . 1 1 15 15 ILE H H 15 8.330 8.330 7.664 0.666 18842 7794 1 13 . 1 1 16 16 ILE N N 16 127.640 127.640 128.626 -0.986 18842 7795 1 13 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.319 0.648 18842 7796 1 13 . 1 1 16 16 ILE C C 16 173.248 173.248 173.707 -0.459 18842 7797 1 13 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.024 -0.212 18842 7798 1 13 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.336 2.388 18842 7799 1 13 . 1 1 16 16 ILE H H 16 9.438 9.438 9.237 0.201 18842 7800 1 13 . 1 1 17 17 ALA N N 17 127.760 127.760 130.835 -3.075 18842 7801 1 13 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.835 0.270 18842 7802 1 13 . 1 1 17 17 ALA C C 17 177.510 177.510 175.354 2.156 18842 7803 1 13 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.262 1.183 18842 7804 1 13 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.530 -0.369 18842 7805 1 13 . 1 1 17 17 ALA H H 17 8.968 8.968 8.460 0.508 18842 7806 1 13 . 1 1 18 18 ILE N N 18 122.269 122.269 122.921 -0.652 18842 7807 1 13 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.433 0.158 18842 7808 1 13 . 1 1 18 18 ILE C C 18 174.334 174.334 175.497 -1.163 18842 7809 1 13 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.262 0.394 18842 7810 1 13 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.249 0.815 18842 7811 1 13 . 1 1 18 18 ILE H H 18 8.665 8.665 8.299 0.366 18842 7812 1 13 . 1 1 19 19 ASN N N 19 127.568 127.568 126.845 0.723 18842 7813 1 13 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.676 0.404 18842 7814 1 13 . 1 1 19 19 ASN C C 19 174.784 174.784 175.269 -0.485 18842 7815 1 13 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.754 -1.116 18842 7816 1 13 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.645 0.946 18842 7817 1 13 . 1 1 19 19 ASN H H 19 9.378 9.378 9.080 0.298 18842 7818 1 13 . 1 1 20 20 GLU N N 20 121.587 121.587 124.140 -2.553 18842 7819 1 13 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.375 0.328 18842 7820 1 13 . 1 1 20 20 GLU C C 20 176.152 176.152 175.760 0.392 18842 7821 1 13 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.364 -1.473 18842 7822 1 13 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.776 1.091 18842 7823 1 13 . 1 1 20 20 GLU H H 20 9.046 9.046 8.184 0.862 18842 7824 1 13 . 1 1 21 21 ASP N N 21 121.077 121.077 116.905 4.172 18842 7825 1 13 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.693 -0.074 18842 7826 1 13 . 1 1 21 21 ASP C C 21 175.688 175.688 176.207 -0.519 18842 7827 1 13 . 1 1 21 21 ASP CA C 21 55.512 55.512 55.084 0.428 18842 7828 1 13 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.130 -0.654 18842 7829 1 13 . 1 1 21 21 ASP H H 21 8.724 8.724 8.327 0.397 18842 7830 1 13 . 1 1 22 22 VAL N N 22 113.035 113.035 116.266 -3.231 18842 7831 1 13 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.261 0.057 18842 7832 1 13 . 1 1 22 22 VAL C C 22 173.445 173.445 176.373 -2.928 18842 7833 1 13 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.872 -1.823 18842 7834 1 13 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.329 0.693 18842 7835 1 13 . 1 1 22 22 VAL H H 22 6.844 6.844 7.350 -0.506 18842 7836 1 13 . 1 1 23 23 SER N N 23 114.945 114.945 115.520 -0.575 18842 7837 1 13 . 1 1 23 23 SER HA H 23 4.735 4.735 4.719 0.016 18842 7838 1 13 . 1 1 23 23 SER CA C 23 53.765 53.765 60.202 -6.437 18842 7839 1 13 . 1 1 23 23 SER CB C 23 64.743 64.743 61.763 2.980 18842 7840 1 13 . 1 1 23 23 SER H H 23 8.046 8.046 8.757 -0.711 18842 7841 1 13 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.696 0.072 18842 7842 1 13 . 1 1 24 24 PRO C C 24 174.807 174.807 175.578 -0.771 18842 7843 1 13 . 1 1 24 24 PRO CA C 24 62.760 62.760 63.046 -0.286 18842 7844 1 13 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.882 2.859 18842 7845 1 13 . 1 1 25 25 ALA N N 25 120.415 120.415 118.186 2.229 18842 7846 1 13 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.164 0.351 18842 7847 1 13 . 1 1 25 25 ALA C C 25 175.790 175.790 176.171 -0.381 18842 7848 1 13 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.832 -0.299 18842 7849 1 13 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.581 2.002 18842 7850 1 13 . 1 1 25 25 ALA H H 25 7.979 7.979 7.996 -0.017 18842 7851 1 13 . 1 1 26 26 GLU N N 26 115.395 115.395 122.546 -7.151 18842 7852 1 13 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.153 -0.114 18842 7853 1 13 . 1 1 26 26 GLU C C 26 174.619 174.619 175.083 -0.464 18842 7854 1 13 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.402 -0.373 18842 7855 1 13 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.046 1.570 18842 7856 1 13 . 1 1 26 26 GLU H H 26 7.851 7.851 7.988 -0.137 18842 7857 1 13 . 1 1 27 27 LEU N N 27 124.661 124.661 123.658 1.003 18842 7858 1 13 . 1 1 27 27 LEU HA H 27 5.026 5.026 5.004 0.022 18842 7859 1 13 . 1 1 27 27 LEU C C 27 174.740 174.740 175.174 -0.434 18842 7860 1 13 . 1 1 27 27 LEU CA C 27 53.781 53.781 53.970 -0.189 18842 7861 1 13 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.674 0.935 18842 7862 1 13 . 1 1 27 27 LEU H H 27 8.898 8.898 9.407 -0.509 18842 7863 1 13 . 1 1 28 28 THR N N 28 121.731 121.731 124.956 -3.225 18842 7864 1 13 . 1 1 28 28 THR HA H 28 5.207 5.207 5.090 0.117 18842 7865 1 13 . 1 1 28 28 THR C C 28 172.661 172.661 173.669 -1.008 18842 7866 1 13 . 1 1 28 28 THR CA C 28 61.178 61.178 62.303 -1.125 18842 7867 1 13 . 1 1 28 28 THR CB C 28 71.422 71.422 69.244 2.178 18842 7868 1 13 . 1 1 28 28 THR H H 28 9.283 9.283 9.155 0.128 18842 7869 1 13 . 1 1 29 29 TRP N N 29 128.950 128.950 131.657 -2.707 18842 7870 1 13 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.098 0.333 18842 7871 1 13 . 1 1 29 29 TRP C C 29 173.939 173.939 174.445 -0.506 18842 7872 1 13 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.137 -0.355 18842 7873 1 13 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.906 1.271 18842 7874 1 13 . 1 1 29 29 TRP H H 29 9.399 9.399 9.560 -0.161 18842 7875 1 13 . 1 1 30 30 ARG N N 30 126.402 126.402 130.986 -4.584 18842 7876 1 13 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.305 0.524 18842 7877 1 13 . 1 1 30 30 ARG C C 30 174.751 174.751 175.262 -0.511 18842 7878 1 13 . 1 1 30 30 ARG CA C 30 53.389 53.389 53.901 -0.512 18842 7879 1 13 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.723 1.095 18842 7880 1 13 . 1 1 30 30 ARG H H 30 7.613 7.613 9.125 -1.512 18842 7881 1 13 . 1 1 31 31 SER N N 31 118.353 118.353 121.912 -3.559 18842 7882 1 13 . 1 1 31 31 SER HA H 31 4.138 4.138 3.712 0.426 18842 7883 1 13 . 1 1 31 31 SER C C 31 176.426 176.426 175.262 1.164 18842 7884 1 13 . 1 1 31 31 SER CA C 31 58.013 58.013 58.790 -0.777 18842 7885 1 13 . 1 1 31 31 SER CB C 31 64.081 64.081 63.523 0.559 18842 7886 1 13 . 1 1 31 31 SER H H 31 8.086 8.086 8.239 -0.153 18842 7887 1 13 . 1 1 32 32 THR N N 32 119.213 119.213 116.774 2.439 18842 7888 1 13 . 1 1 32 32 THR HA H 32 3.856 3.856 4.140 -0.284 18842 7889 1 13 . 1 1 32 32 THR C C 32 175.664 175.664 175.464 0.200 18842 7890 1 13 . 1 1 32 32 THR CA C 32 66.142 66.142 64.423 1.719 18842 7891 1 13 . 1 1 32 32 THR CB C 32 68.446 68.446 68.973 -0.527 18842 7892 1 13 . 1 1 32 32 THR H H 32 8.556 8.556 8.290 0.266 18842 7893 1 13 . 1 1 33 33 ASP N N 33 117.260 117.260 120.507 -3.247 18842 7894 1 13 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.631 -0.004 18842 7895 1 13 . 1 1 33 33 ASP C C 33 177.098 177.098 177.113 -0.015 18842 7896 1 13 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.706 -0.339 18842 7897 1 13 . 1 1 33 33 ASP H H 33 8.236 8.236 7.909 0.327 18842 7898 1 13 . 1 1 34 34 GLY N N 34 109.136 109.136 107.521 1.615 18842 7899 1 13 . 1 1 34 34 GLY C C 34 173.778 173.778 174.531 -0.753 18842 7900 1 13 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.725 0.674 18842 7901 1 13 . 1 1 34 34 GLY H H 34 7.935 7.935 7.978 -0.043 18842 7902 1 13 . 1 1 35 35 ASP N N 35 117.913 117.913 120.445 -2.532 18842 7903 1 13 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.672 -0.142 18842 7904 1 13 . 1 1 35 35 ASP C C 35 175.403 175.403 175.663 -0.260 18842 7905 1 13 . 1 1 35 35 ASP CA C 35 54.811 54.811 55.353 -0.542 18842 7906 1 13 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.837 -0.795 18842 7907 1 13 . 1 1 35 35 ASP H H 35 8.271 8.271 8.068 0.203 18842 7908 1 13 . 1 1 36 36 LYS N N 36 120.335 120.335 118.715 1.620 18842 7909 1 13 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.692 0.215 18842 7910 1 13 . 1 1 36 36 LYS C C 36 174.651 174.651 174.074 0.577 18842 7911 1 13 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.735 -0.328 18842 7912 1 13 . 1 1 36 36 LYS CB C 36 35.834 35.834 36.055 -0.221 18842 7913 1 13 . 1 1 36 36 LYS H H 36 7.769 7.769 7.629 0.140 18842 7914 1 13 . 1 1 37 37 VAL N N 37 121.484 121.484 120.683 0.801 18842 7915 1 13 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.112 0.203 18842 7916 1 13 . 1 1 37 37 VAL C C 37 175.069 175.069 175.124 -0.055 18842 7917 1 13 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.198 -0.100 18842 7918 1 13 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.991 0.067 18842 7919 1 13 . 1 1 37 37 VAL H H 37 8.582 8.582 8.508 0.074 18842 7920 1 13 . 1 1 38 38 HIS N N 38 125.660 125.660 124.009 1.651 18842 7921 1 13 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.906 0.178 18842 7922 1 13 . 1 1 38 38 HIS C C 38 173.268 173.268 173.337 -0.069 18842 7923 1 13 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.140 -0.072 18842 7924 1 13 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.025 0.063 18842 7925 1 13 . 1 1 38 38 HIS H H 38 9.621 9.621 9.140 0.481 18842 7926 1 13 . 1 1 39 39 THR N N 39 124.752 124.752 120.207 4.545 18842 7927 1 13 . 1 1 39 39 THR HA H 39 5.139 5.139 5.085 0.054 18842 7928 1 13 . 1 1 39 39 THR C C 39 173.208 173.208 173.076 0.132 18842 7929 1 13 . 1 1 39 39 THR CA C 39 61.518 61.518 61.591 -0.073 18842 7930 1 13 . 1 1 39 39 THR CB C 39 70.665 70.665 71.036 -0.371 18842 7931 1 13 . 1 1 39 39 THR H H 39 8.527 8.527 7.910 0.617 18842 7932 1 13 . 1 1 40 40 VAL N N 40 126.002 126.002 126.263 -0.261 18842 7933 1 13 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.304 -0.380 18842 7934 1 13 . 1 1 40 40 VAL C C 40 174.731 174.731 173.836 0.895 18842 7935 1 13 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.867 -0.517 18842 7936 1 13 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.632 -1.267 18842 7937 1 13 . 1 1 40 40 VAL H H 40 9.388 9.388 9.248 0.140 18842 7938 1 13 . 1 1 41 41 VAL N N 41 129.872 129.872 128.546 1.326 18842 7939 1 13 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.299 -0.315 18842 7940 1 13 . 1 1 41 41 VAL C C 41 179.410 179.410 176.568 2.842 18842 7941 1 13 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.706 1.909 18842 7942 1 13 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.158 -0.170 18842 7943 1 13 . 1 1 41 41 VAL H H 41 9.054 9.054 8.969 0.085 18842 7944 1 13 . 1 1 42 42 LEU N N 42 130.076 130.076 128.609 1.467 18842 7945 1 13 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.181 -0.227 18842 7946 1 13 . 1 1 42 42 LEU C C 42 176.121 176.121 178.580 -2.459 18842 7947 1 13 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.076 1.546 18842 7948 1 13 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.535 0.288 18842 7949 1 13 . 1 1 42 42 LEU H H 42 9.193 9.193 8.168 1.025 18842 7950 1 13 . 1 1 43 43 SER N N 43 109.703 109.703 112.071 -2.368 18842 7951 1 13 . 1 1 43 43 SER HA H 43 3.944 3.944 2.775 1.169 18842 7952 1 13 . 1 1 43 43 SER C C 43 175.455 175.455 175.244 0.211 18842 7953 1 13 . 1 1 43 43 SER CA C 43 59.442 59.442 60.168 -0.726 18842 7954 1 13 . 1 1 43 43 SER CB C 43 61.299 61.299 62.691 -1.392 18842 7955 1 13 . 1 1 43 43 SER H H 43 6.961 6.961 8.455 -1.494 18842 7956 1 13 . 1 1 44 44 THR N N 44 110.409 110.409 111.923 -1.514 18842 7957 1 13 . 1 1 44 44 THR HA H 44 4.519 4.519 4.263 0.256 18842 7958 1 13 . 1 1 44 44 THR C C 44 173.493 173.493 175.744 -2.251 18842 7959 1 13 . 1 1 44 44 THR CA C 44 62.076 62.076 62.876 -0.800 18842 7960 1 13 . 1 1 44 44 THR CB C 44 69.788 69.788 69.724 0.064 18842 7961 1 13 . 1 1 44 44 THR H H 44 7.657 7.657 7.619 0.038 18842 7962 1 13 . 1 1 45 45 ILE N N 45 120.972 120.972 124.863 -3.891 18842 7963 1 13 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.043 0.282 18842 7964 1 13 . 1 1 45 45 ILE C C 45 173.882 173.882 176.864 -2.982 18842 7965 1 13 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.376 -3.336 18842 7966 1 13 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.212 1.288 18842 7967 1 13 . 1 1 45 45 ILE H H 45 7.089 7.089 7.913 -0.824 18842 7968 1 13 . 1 1 46 46 ASP N N 46 126.759 126.759 130.365 -3.606 18842 7969 1 13 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.439 0.223 18842 7970 1 13 . 1 1 46 46 ASP C C 46 175.424 175.424 175.893 -0.469 18842 7971 1 13 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.322 -1.306 18842 7972 1 13 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.915 2.668 18842 7973 1 13 . 1 1 46 46 ASP H H 46 9.372 9.372 8.650 0.722 18842 7974 1 13 . 1 1 47 47 LYS N N 47 111.663 111.663 115.122 -3.459 18842 7975 1 13 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.599 0.154 18842 7976 1 13 . 1 1 47 47 LYS C C 47 172.574 172.574 173.972 -1.398 18842 7977 1 13 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.075 -0.460 18842 7978 1 13 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.702 0.494 18842 7979 1 13 . 1 1 47 47 LYS H H 47 7.522 7.522 7.496 0.026 18842 7980 1 13 . 1 1 48 48 LEU N N 48 123.295 123.295 121.443 1.852 18842 7981 1 13 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.949 0.194 18842 7982 1 13 . 1 1 48 48 LEU C C 48 174.770 174.770 176.018 -1.248 18842 7983 1 13 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.640 -0.704 18842 7984 1 13 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.808 0.772 18842 7985 1 13 . 1 1 48 48 LEU H H 48 8.938 8.938 8.402 0.536 18842 7986 1 13 . 1 1 49 49 GLN N N 49 120.979 120.979 120.904 0.075 18842 7987 1 13 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.640 0.872 18842 7988 1 13 . 1 1 49 49 GLN C C 49 174.626 174.626 174.013 0.613 18842 7989 1 13 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.150 -1.519 18842 7990 1 13 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.420 0.669 18842 7991 1 13 . 1 1 49 49 GLN H H 49 9.246 9.246 8.560 0.686 18842 7992 1 13 . 1 1 50 50 ALA N N 50 122.440 122.440 124.994 -2.554 18842 7993 1 13 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.810 0.998 18842 7994 1 13 . 1 1 50 50 ALA C C 50 177.277 177.277 176.397 0.880 18842 7995 1 13 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.187 -0.566 18842 7996 1 13 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.637 2.886 18842 7997 1 13 . 1 1 50 50 ALA H H 50 9.365 9.365 8.337 1.028 18842 7998 1 13 . 1 1 51 51 THR N N 51 114.289 114.289 117.479 -3.190 18842 7999 1 13 . 1 1 51 51 THR HA H 51 4.615 4.615 4.354 0.261 18842 8000 1 13 . 1 1 51 51 THR CA C 51 59.197 59.197 61.079 -1.882 18842 8001 1 13 . 1 1 51 51 THR CB C 51 67.937 67.937 68.428 -0.491 18842 8002 1 13 . 1 1 51 51 THR H H 51 8.368 8.368 8.101 0.267 18842 8003 1 13 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.556 -0.025 18842 8004 1 13 . 1 1 52 52 PRO C C 52 178.380 178.380 177.174 1.206 18842 8005 1 13 . 1 1 52 52 PRO CA C 52 62.375 62.375 61.958 0.417 18842 8006 1 13 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.049 0.591 18842 8007 1 13 . 1 1 53 53 ALA N N 53 126.235 126.235 122.486 3.749 18842 8008 1 13 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.173 -0.143 18842 8009 1 13 . 1 1 53 53 ALA C C 53 177.700 177.700 178.500 -0.800 18842 8010 1 13 . 1 1 53 53 ALA CA C 53 54.795 54.795 53.997 0.798 18842 8011 1 13 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.494 -0.475 18842 8012 1 13 . 1 1 53 53 ALA H H 53 9.122 9.122 8.413 0.709 18842 8013 1 13 . 1 1 54 54 SER N N 54 107.216 107.216 111.573 -4.357 18842 8014 1 13 . 1 1 54 54 SER HA H 54 4.238 4.238 4.470 -0.232 18842 8015 1 13 . 1 1 54 54 SER C C 54 174.957 174.957 174.545 0.412 18842 8016 1 13 . 1 1 54 54 SER CA C 54 58.260 58.260 59.234 -0.974 18842 8017 1 13 . 1 1 54 54 SER CB C 54 63.120 63.120 63.513 -0.393 18842 8018 1 13 . 1 1 54 54 SER H H 54 7.620 7.620 8.049 -0.429 18842 8019 1 13 . 1 1 55 55 SER N N 55 117.523 117.523 116.904 0.619 18842 8020 1 13 . 1 1 55 55 SER HA H 55 4.469 4.469 4.486 -0.017 18842 8021 1 13 . 1 1 55 55 SER C C 55 174.952 174.952 174.414 0.538 18842 8022 1 13 . 1 1 55 55 SER CA C 55 57.500 57.500 57.980 -0.480 18842 8023 1 13 . 1 1 55 55 SER CB C 55 63.801 63.801 64.211 -0.410 18842 8024 1 13 . 1 1 55 55 SER H H 55 7.676 7.676 7.639 0.037 18842 8025 1 13 . 1 1 56 56 GLU N N 56 124.557 124.557 126.823 -2.266 18842 8026 1 13 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.163 0.016 18842 8027 1 13 . 1 1 56 56 GLU C C 56 177.924 177.924 176.604 1.320 18842 8028 1 13 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.107 -0.446 18842 8029 1 13 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.933 -0.104 18842 8030 1 13 . 1 1 56 56 GLU H H 56 8.844 8.844 8.794 0.050 18842 8031 1 13 . 1 1 57 57 LYS N N 57 119.220 119.220 119.506 -0.286 18842 8032 1 13 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.559 -0.263 18842 8033 1 13 . 1 1 57 57 LYS C C 57 175.667 175.667 175.517 0.150 18842 8034 1 13 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.360 1.495 18842 8035 1 13 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.064 1.791 18842 8036 1 13 . 1 1 57 57 LYS H H 57 8.259 8.259 7.476 0.783 18842 8037 1 13 . 1 1 58 58 MET N N 58 123.270 123.270 125.364 -2.094 18842 8038 1 13 . 1 1 58 58 MET HA H 58 4.288 4.288 4.440 -0.152 18842 8039 1 13 . 1 1 58 58 MET C C 58 174.107 174.107 175.815 -1.708 18842 8040 1 13 . 1 1 58 58 MET CA C 58 55.067 55.067 55.687 -0.619 18842 8041 1 13 . 1 1 58 58 MET CB C 58 35.381 35.381 33.145 2.236 18842 8042 1 13 . 1 1 58 58 MET H H 58 8.811 8.811 8.837 -0.026 18842 8043 1 13 . 1 1 59 59 MET N N 59 120.490 120.490 122.518 -2.028 18842 8044 1 13 . 1 1 59 59 MET HA H 59 5.873 5.873 5.051 0.822 18842 8045 1 13 . 1 1 59 59 MET C C 59 174.459 174.459 174.095 0.364 18842 8046 1 13 . 1 1 59 59 MET CA C 59 54.903 54.903 55.243 -0.340 18842 8047 1 13 . 1 1 59 59 MET CB C 59 39.231 39.231 37.161 2.070 18842 8048 1 13 . 1 1 59 59 MET H H 59 8.395 8.395 9.326 -0.931 18842 8049 1 13 . 1 1 60 60 LEU N N 60 118.105 118.105 122.457 -4.352 18842 8050 1 13 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.865 0.799 18842 8051 1 13 . 1 1 60 60 LEU C C 60 175.664 175.664 175.323 0.341 18842 8052 1 13 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.082 -0.954 18842 8053 1 13 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.995 2.441 18842 8054 1 13 . 1 1 60 60 LEU H H 60 9.103 9.103 9.329 -0.226 18842 8055 1 13 . 1 1 61 61 ARG N N 61 120.757 120.757 121.596 -0.839 18842 8056 1 13 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.188 0.270 18842 8057 1 13 . 1 1 61 61 ARG C C 61 173.515 173.515 174.336 -0.821 18842 8058 1 13 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.836 -0.112 18842 8059 1 13 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.587 1.546 18842 8060 1 13 . 1 1 61 61 ARG H H 61 9.287 9.287 8.250 1.037 18842 8061 1 13 . 1 1 62 62 LEU N N 62 127.139 127.139 124.424 2.715 18842 8062 1 13 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.839 0.190 18842 8063 1 13 . 1 1 62 62 LEU C C 62 175.440 175.440 175.117 0.323 18842 8064 1 13 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.682 0.718 18842 8065 1 13 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.148 -2.045 18842 8066 1 13 . 1 1 62 62 LEU H H 62 9.307 9.307 8.537 0.770 18842 8067 1 13 . 1 1 63 63 ILE N N 63 123.292 123.292 126.026 -2.734 18842 8068 1 13 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.535 0.053 18842 8069 1 13 . 1 1 63 63 ILE C C 63 176.319 176.319 176.198 0.121 18842 8070 1 13 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.059 0.327 18842 8071 1 13 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.113 0.008 18842 8072 1 13 . 1 1 63 63 ILE H H 63 8.891 8.891 8.613 0.278 18842 8073 1 13 . 1 1 64 64 GLY N N 64 115.565 115.565 114.935 0.630 18842 8074 1 13 . 1 1 64 64 GLY C C 64 172.551 172.551 172.709 -0.158 18842 8075 1 13 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.664 1.765 18842 8076 1 13 . 1 1 64 64 GLY H H 64 9.356 9.356 8.160 1.196 18842 8077 1 13 . 1 1 65 65 LYS N N 65 119.442 119.442 118.915 0.527 18842 8078 1 13 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.534 -0.239 18842 8079 1 13 . 1 1 65 65 LYS C C 65 176.205 176.205 176.830 -0.625 18842 8080 1 13 . 1 1 65 65 LYS CA C 65 56.588 56.588 54.857 1.731 18842 8081 1 13 . 1 1 65 65 LYS CB C 65 34.353 34.353 33.272 1.081 18842 8082 1 13 . 1 1 65 65 LYS H H 65 8.361 8.361 8.295 0.066 18842 8083 1 13 . 1 1 66 66 VAL N N 66 122.131 122.131 124.877 -2.746 18842 8084 1 13 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.050 0.036 18842 8085 1 13 . 1 1 66 66 VAL C C 66 175.265 175.265 175.570 -0.305 18842 8086 1 13 . 1 1 66 66 VAL CA C 66 62.063 62.063 62.171 -0.108 18842 8087 1 13 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.433 0.831 18842 8088 1 13 . 1 1 66 66 VAL H H 66 8.637 8.637 8.739 -0.102 18842 8089 1 13 . 1 1 67 67 ASP N N 67 125.510 125.510 117.448 8.062 18842 8090 1 13 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.199 0.528 18842 8091 1 13 . 1 1 67 67 ASP C C 67 176.708 176.708 175.340 1.368 18842 8092 1 13 . 1 1 67 67 ASP CA C 67 53.140 53.140 55.413 -2.273 18842 8093 1 13 . 1 1 67 67 ASP CB C 67 40.930 40.930 39.680 1.250 18842 8094 1 13 . 1 1 67 67 ASP H H 67 8.460 8.460 8.404 0.056 18842 8095 1 13 . 1 1 68 68 GLU N N 68 124.449 124.449 112.003 12.446 18842 8096 1 13 . 1 1 68 68 GLU HA H 68 4.088 4.088 3.862 0.226 18842 8097 1 13 . 1 1 68 68 GLU C C 68 177.451 177.451 175.629 1.822 18842 8098 1 13 . 1 1 68 68 GLU CA C 68 57.855 57.855 57.821 0.034 18842 8099 1 13 . 1 1 68 68 GLU CB C 68 29.677 29.677 28.646 1.031 18842 8100 1 13 . 1 1 68 68 GLU H H 68 8.752 8.752 8.761 -0.009 18842 8101 1 13 . 1 1 69 69 SER N N 69 115.515 115.515 111.841 3.674 18842 8102 1 13 . 1 1 69 69 SER HA H 69 4.329 4.329 4.543 -0.214 18842 8103 1 13 . 1 1 69 69 SER C C 69 175.277 175.277 173.656 1.621 18842 8104 1 13 . 1 1 69 69 SER CA C 69 60.139 60.139 58.914 1.225 18842 8105 1 13 . 1 1 69 69 SER CB C 69 63.223 63.223 63.492 -0.269 18842 8106 1 13 . 1 1 69 69 SER H H 69 8.497 8.497 8.305 0.192 18842 8107 1 13 . 1 1 70 70 LYS N N 70 121.733 121.733 120.681 1.052 18842 8108 1 13 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.502 -0.092 18842 8109 1 13 . 1 1 70 70 LYS C C 70 177.124 177.124 175.193 1.931 18842 8110 1 13 . 1 1 70 70 LYS CA C 70 55.324 55.324 55.370 -0.046 18842 8111 1 13 . 1 1 70 70 LYS H H 70 7.689 7.689 7.944 -0.255 18842 8112 1 13 . 1 1 71 71 LYS N N 71 121.012 121.012 117.933 3.079 18842 8113 1 13 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.351 0.056 18842 8114 1 13 . 1 1 71 71 LYS C C 71 176.175 176.175 176.663 -0.488 18842 8115 1 13 . 1 1 71 71 LYS CA C 71 56.612 56.612 56.218 0.394 18842 8116 1 13 . 1 1 71 71 LYS H H 71 7.750 7.750 7.568 0.182 18842 8117 1 13 . 1 1 72 72 ARG N N 72 122.064 122.064 117.111 4.953 18842 8118 1 13 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.597 0.004 18842 8119 1 13 . 1 1 72 72 ARG C C 72 175.228 175.228 175.053 0.175 18842 8120 1 13 . 1 1 72 72 ARG CA C 72 54.929 54.929 54.411 0.518 18842 8121 1 13 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.358 -0.033 18842 8122 1 13 . 1 1 72 72 ARG H H 72 8.420 8.420 8.951 -0.531 18842 8123 1 13 . 1 1 73 73 LYS N N 73 121.217 121.217 121.320 -0.103 18842 8124 1 13 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.374 0.559 18842 8125 1 13 . 1 1 73 73 LYS C C 73 177.010 177.010 176.240 0.770 18842 8126 1 13 . 1 1 73 73 LYS CA C 73 55.205 55.205 57.162 -1.957 18842 8127 1 13 . 1 1 73 73 LYS CB C 73 34.680 34.680 32.733 1.947 18842 8128 1 13 . 1 1 73 73 LYS H H 73 8.401 8.401 8.595 -0.194 18842 8129 1 13 . 1 1 74 74 ASP N N 74 122.025 122.025 120.598 1.427 18842 8130 1 13 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.558 0.152 18842 8131 1 13 . 1 1 74 74 ASP C C 74 177.475 177.475 176.415 1.060 18842 8132 1 13 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.038 -0.282 18842 8133 1 13 . 1 1 74 74 ASP CB C 74 41.022 41.022 40.145 0.876 18842 8134 1 13 . 1 1 74 74 ASP H H 74 8.582 8.582 8.297 0.285 18842 8135 1 13 . 1 1 75 75 ASN N N 75 116.228 116.228 116.700 -0.472 18842 8136 1 13 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.446 0.090 18842 8137 1 13 . 1 1 75 75 ASN C C 75 175.999 175.999 175.048 0.951 18842 8138 1 13 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.335 0.518 18842 8139 1 13 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.721 0.410 18842 8140 1 13 . 1 1 75 75 ASN H H 75 8.433 8.433 8.517 -0.084 18842 8141 1 13 . 1 1 76 76 GLU N N 76 118.958 118.958 118.602 0.356 18842 8142 1 13 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.463 -0.082 18842 8143 1 13 . 1 1 76 76 GLU C C 76 176.556 176.556 177.370 -0.814 18842 8144 1 13 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.727 -0.564 18842 8145 1 13 . 1 1 76 76 GLU H H 76 8.162 8.162 8.002 0.160 18842 8146 1 13 . 1 1 77 77 GLY N N 77 108.062 108.062 108.481 -0.419 18842 8147 1 13 . 1 1 77 77 GLY C C 77 174.247 174.247 173.306 0.941 18842 8148 1 13 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.781 0.430 18842 8149 1 13 . 1 1 77 77 GLY H H 77 8.106 8.106 8.034 0.072 18842 8150 1 13 . 1 1 78 78 ASN N N 78 119.929 119.929 118.726 1.203 18842 8151 1 13 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.865 -0.119 18842 8152 1 13 . 1 1 78 78 ASN C C 78 175.035 175.035 174.254 0.781 18842 8153 1 13 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.913 -0.118 18842 8154 1 13 . 1 1 78 78 ASN CB C 78 38.945 38.945 41.334 -2.389 18842 8155 1 13 . 1 1 78 78 ASN H H 78 8.569 8.569 7.933 0.636 18842 8156 1 13 . 1 1 79 79 GLU N N 79 121.658 121.658 126.198 -4.540 18842 8157 1 13 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.312 0.169 18842 8158 1 13 . 1 1 79 79 GLU C C 79 176.302 176.302 175.723 0.579 18842 8159 1 13 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.156 -0.494 18842 8160 1 13 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.008 1.635 18842 8161 1 13 . 1 1 79 79 GLU H H 79 8.691 8.691 8.617 0.074 18842 8162 1 13 . 1 1 80 80 VAL N N 80 123.997 123.997 121.422 2.575 18842 8163 1 13 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.534 -0.279 18842 8164 1 13 . 1 1 80 80 VAL C C 80 175.544 175.544 174.913 0.631 18842 8165 1 13 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.554 1.739 18842 8166 1 13 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.396 -1.853 18842 8167 1 13 . 1 1 80 80 VAL H H 80 8.581 8.581 8.789 -0.208 18842 8168 1 13 . 1 1 81 81 VAL N N 81 126.545 126.545 120.766 5.779 18842 8169 1 13 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.323 0.103 18842 8170 1 13 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.772 -0.221 18842 8171 1 13 . 1 1 81 81 VAL CB C 81 32.894 32.894 30.182 2.712 18842 8172 1 13 . 1 1 81 81 VAL H H 81 8.407 8.407 8.501 -0.094 18842 8173 1 13 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.340 0.092 18842 8174 1 13 . 1 1 82 82 PRO C C 82 176.036 176.036 176.422 -0.386 18842 8175 1 13 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.850 -0.285 18842 8176 1 13 . 1 1 83 83 LYS N N 83 121.727 121.727 122.535 -0.808 18842 8177 1 13 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.184 0.367 18842 8178 1 13 . 1 1 83 83 LYS CA C 83 53.779 53.779 56.377 -2.598 18842 8179 1 13 . 1 1 83 83 LYS H H 83 8.316 8.316 8.364 -0.048 18842 8180 1 13 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.382 -0.089 18842 8181 1 13 . 1 1 84 84 PRO C C 84 176.883 176.883 175.861 1.022 18842 8182 1 13 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.472 0.004 18842 8183 1 13 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.410 0.031 18842 8184 1 13 . 1 1 85 85 GLN N N 85 121.423 121.423 117.832 3.591 18842 8185 1 13 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.083 0.062 18842 8186 1 13 . 1 1 85 85 GLN C C 85 175.026 175.026 175.073 -0.047 18842 8187 1 13 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.742 -0.702 18842 8188 1 13 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.250 1.559 18842 8189 1 13 . 1 1 85 85 GLN H H 85 8.471 8.471 8.598 -0.127 18842 8190 1 13 . 1 1 86 86 ARG N N 86 120.972 120.972 126.060 -5.088 18842 8191 1 13 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.713 0.474 18842 8192 1 13 . 1 1 86 86 ARG C C 86 175.091 175.091 175.541 -0.450 18842 8193 1 13 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.642 -0.250 18842 8194 1 13 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.403 2.025 18842 8195 1 13 . 1 1 86 86 ARG H H 86 8.265 8.265 8.398 -0.133 18842 8196 1 13 . 1 1 87 87 HIS N N 87 120.390 120.390 124.868 -4.478 18842 8197 1 13 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.654 0.091 18842 8198 1 13 . 1 1 87 87 HIS C C 87 173.730 173.730 173.424 0.306 18842 8199 1 13 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.120 0.087 18842 8200 1 13 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.268 3.329 18842 8201 1 13 . 1 1 87 87 HIS H H 87 8.590 8.590 8.546 0.044 18842 8202 1 13 . 1 1 88 88 MET N N 88 126.611 126.611 125.186 1.425 18842 8203 1 13 . 1 1 88 88 MET HA H 88 5.320 5.320 4.295 1.025 18842 8204 1 13 . 1 1 88 88 MET C C 88 173.520 173.520 173.735 -0.215 18842 8205 1 13 . 1 1 88 88 MET CA C 88 54.782 54.782 55.009 -0.227 18842 8206 1 13 . 1 1 88 88 MET CB C 88 35.451 35.451 32.797 2.654 18842 8207 1 13 . 1 1 88 88 MET H H 88 8.716 8.716 8.522 0.194 18842 8208 1 13 . 1 1 89 89 PHE N N 89 122.328 122.328 127.366 -5.038 18842 8209 1 13 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.561 -0.351 18842 8210 1 13 . 1 1 89 89 PHE C C 89 174.448 174.448 175.565 -1.117 18842 8211 1 13 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.146 1.306 18842 8212 1 13 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.278 2.810 18842 8213 1 13 . 1 1 89 89 PHE H H 89 8.989 8.989 9.207 -0.218 18842 8214 1 13 . 1 1 90 90 SER N N 90 116.094 116.094 119.281 -3.187 18842 8215 1 13 . 1 1 90 90 SER HA H 90 5.681 5.681 4.917 0.764 18842 8216 1 13 . 1 1 90 90 SER C C 90 173.094 173.094 173.588 -0.494 18842 8217 1 13 . 1 1 90 90 SER CA C 90 56.645 56.645 57.735 -1.090 18842 8218 1 13 . 1 1 90 90 SER CB C 90 64.824 64.824 63.910 0.914 18842 8219 1 13 . 1 1 90 90 SER H H 90 8.680 8.680 8.859 -0.179 18842 8220 1 13 . 1 1 91 91 PHE N N 91 120.812 120.812 123.631 -2.819 18842 8221 1 13 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.646 0.248 18842 8222 1 13 . 1 1 91 91 PHE C C 91 174.500 174.500 175.587 -1.087 18842 8223 1 13 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.899 -0.497 18842 8224 1 13 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.306 2.021 18842 8225 1 13 . 1 1 91 91 PHE H H 91 9.050 9.050 8.741 0.309 18842 8226 1 13 . 1 1 92 92 ASN N N 92 115.876 115.876 117.771 -1.895 18842 8227 1 13 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.827 0.275 18842 8228 1 13 . 1 1 92 92 ASN C C 92 174.901 174.901 173.488 1.413 18842 8229 1 13 . 1 1 92 92 ASN CA C 92 52.207 52.207 52.981 -0.774 18842 8230 1 13 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.627 0.237 18842 8231 1 13 . 1 1 92 92 ASN H H 92 9.135 9.135 8.696 0.439 18842 8232 1 13 . 1 1 93 93 ASN N N 93 118.335 118.335 115.931 2.404 18842 8233 1 13 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.922 -0.021 18842 8234 1 13 . 1 1 93 93 ASN C C 93 174.579 174.579 174.597 -0.018 18842 8235 1 13 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.942 0.086 18842 8236 1 13 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.931 0.871 18842 8237 1 13 . 1 1 93 93 ASN H H 93 7.271 7.271 7.771 -0.500 18842 8238 1 13 . 1 1 94 94 ARG N N 94 129.027 129.027 121.017 8.010 18842 8239 1 13 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.318 -0.453 18842 8240 1 13 . 1 1 94 94 ARG C C 94 176.782 176.782 177.276 -0.494 18842 8241 1 13 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.494 0.557 18842 8242 1 13 . 1 1 94 94 ARG H H 94 9.334 9.334 8.802 0.532 18842 8243 1 13 . 1 1 95 95 THR N N 95 115.756 115.756 114.994 0.762 18842 8244 1 13 . 1 1 95 95 THR HA H 95 4.028 4.028 4.202 -0.174 18842 8245 1 13 . 1 1 95 95 THR C C 95 176.742 176.742 176.284 0.458 18842 8246 1 13 . 1 1 95 95 THR CA C 95 66.325 66.325 65.722 0.603 18842 8247 1 13 . 1 1 95 95 THR CB C 95 68.281 68.281 68.486 -0.204 18842 8248 1 13 . 1 1 95 95 THR H H 95 8.000 8.000 8.183 -0.183 18842 8249 1 13 . 1 1 96 96 VAL N N 96 121.852 121.852 121.733 0.119 18842 8250 1 13 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.870 -0.074 18842 8251 1 13 . 1 1 96 96 VAL C C 96 177.587 177.587 177.090 0.497 18842 8252 1 13 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.091 -0.133 18842 8253 1 13 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.508 0.519 18842 8254 1 13 . 1 1 96 96 VAL H H 96 7.609 7.609 8.230 -0.621 18842 8255 1 13 . 1 1 97 97 MET N N 97 117.469 117.469 116.596 0.873 18842 8256 1 13 . 1 1 97 97 MET HA H 97 2.337 2.337 3.999 -1.662 18842 8257 1 13 . 1 1 97 97 MET C C 97 177.257 177.257 177.797 -0.540 18842 8258 1 13 . 1 1 97 97 MET H H 97 7.337 7.337 7.696 -0.359 18842 8259 1 13 . 1 1 98 98 ASP N N 98 118.162 118.162 120.340 -2.178 18842 8260 1 13 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.404 -0.088 18842 8261 1 13 . 1 1 98 98 ASP C C 98 178.771 178.771 178.668 0.103 18842 8262 1 13 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.825 -0.271 18842 8263 1 13 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.888 -1.109 18842 8264 1 13 . 1 1 98 98 ASP H H 98 8.729 8.729 7.971 0.758 18842 8265 1 13 . 1 1 99 99 ASN N N 99 120.303 120.303 118.298 2.005 18842 8266 1 13 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.591 -0.122 18842 8267 1 13 . 1 1 99 99 ASN C C 99 178.220 178.220 177.499 0.721 18842 8268 1 13 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.716 0.378 18842 8269 1 13 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.553 -0.181 18842 8270 1 13 . 1 1 99 99 ASN H H 99 8.104 8.104 7.585 0.519 18842 8271 1 13 . 1 1 100 100 ILE N N 100 121.160 121.160 121.030 0.130 18842 8272 1 13 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.873 -0.227 18842 8273 1 13 . 1 1 100 100 ILE C C 100 177.361 177.361 177.821 -0.460 18842 8274 1 13 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.006 -1.260 18842 8275 1 13 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.197 -1.495 18842 8276 1 13 . 1 1 100 100 ILE H H 100 8.020 8.020 7.941 0.079 18842 8277 1 13 . 1 1 101 101 LYS N N 101 120.747 120.747 120.278 0.469 18842 8278 1 13 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.934 -0.250 18842 8279 1 13 . 1 1 101 101 LYS C C 101 177.127 177.127 179.158 -2.031 18842 8280 1 13 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.971 0.189 18842 8281 1 13 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.406 0.591 18842 8282 1 13 . 1 1 101 101 LYS H H 101 8.907 8.907 8.254 0.653 18842 8283 1 13 . 1 1 102 102 MET N N 102 116.126 116.126 116.135 -0.009 18842 8284 1 13 . 1 1 102 102 MET HA H 102 4.245 4.245 4.453 -0.208 18842 8285 1 13 . 1 1 102 102 MET C C 102 178.941 178.941 178.254 0.687 18842 8286 1 13 . 1 1 102 102 MET CA C 102 58.367 58.367 59.166 -0.799 18842 8287 1 13 . 1 1 102 102 MET CB C 102 32.055 32.055 32.527 -0.472 18842 8288 1 13 . 1 1 102 102 MET H H 102 8.002 8.002 7.563 0.439 18842 8289 1 13 . 1 1 103 103 THR N N 103 117.988 117.988 118.280 -0.292 18842 8290 1 13 . 1 1 103 103 THR HA H 103 3.861 3.861 3.973 -0.112 18842 8291 1 13 . 1 1 103 103 THR C C 103 176.493 176.493 176.819 -0.326 18842 8292 1 13 . 1 1 103 103 THR CA C 103 66.168 66.168 67.633 -1.465 18842 8293 1 13 . 1 1 103 103 THR CB C 103 67.923 67.923 68.846 -0.923 18842 8294 1 13 . 1 1 103 103 THR H H 103 7.694 7.694 8.325 -0.631 18842 8295 1 13 . 1 1 104 104 LEU N N 104 119.248 119.248 120.614 -1.366 18842 8296 1 13 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.967 -0.087 18842 8297 1 13 . 1 1 104 104 LEU C C 104 178.072 178.072 178.619 -0.547 18842 8298 1 13 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.792 -0.746 18842 8299 1 13 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.470 1.424 18842 8300 1 13 . 1 1 104 104 LEU H H 104 8.530 8.530 8.447 0.083 18842 8301 1 13 . 1 1 105 105 GLN N N 105 119.071 119.071 118.279 0.792 18842 8302 1 13 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.855 0.113 18842 8303 1 13 . 1 1 105 105 GLN C C 105 178.675 178.675 178.401 0.274 18842 8304 1 13 . 1 1 105 105 GLN CA C 105 59.073 59.073 59.153 -0.080 18842 8305 1 13 . 1 1 105 105 GLN CB C 105 27.968 27.968 28.394 -0.426 18842 8306 1 13 . 1 1 105 105 GLN H H 105 8.623 8.623 7.719 0.904 18842 8307 1 13 . 1 1 106 106 GLN N N 106 117.946 117.946 117.991 -0.045 18842 8308 1 13 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.063 -0.024 18842 8309 1 13 . 1 1 106 106 GLN C C 106 178.677 178.677 178.248 0.429 18842 8310 1 13 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.313 0.402 18842 8311 1 13 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.183 0.281 18842 8312 1 13 . 1 1 106 106 GLN H H 106 7.581 7.581 7.975 -0.394 18842 8313 1 13 . 1 1 107 107 ILE N N 107 120.013 120.013 118.529 1.484 18842 8314 1 13 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.817 -0.352 18842 8315 1 13 . 1 1 107 107 ILE C C 107 177.586 177.586 178.015 -0.429 18842 8316 1 13 . 1 1 107 107 ILE CA C 107 65.482 65.482 63.907 1.575 18842 8317 1 13 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.542 0.597 18842 8318 1 13 . 1 1 107 107 ILE H H 107 7.801 7.801 7.919 -0.118 18842 8319 1 13 . 1 1 108 108 ILE N N 108 117.686 117.686 122.854 -5.168 18842 8320 1 13 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.803 -0.019 18842 8321 1 13 . 1 1 108 108 ILE C C 108 179.171 179.171 178.286 0.885 18842 8322 1 13 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.640 -0.037 18842 8323 1 13 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.517 0.724 18842 8324 1 13 . 1 1 108 108 ILE H H 108 8.734 8.734 8.308 0.426 18842 8325 1 13 . 1 1 109 109 SER N N 109 114.198 114.198 114.965 -0.767 18842 8326 1 13 . 1 1 109 109 SER HA H 109 4.214 4.214 4.083 0.131 18842 8327 1 13 . 1 1 109 109 SER C C 109 176.381 176.381 176.172 0.209 18842 8328 1 13 . 1 1 109 109 SER CA C 109 61.564 61.564 61.506 0.058 18842 8329 1 13 . 1 1 109 109 SER CB C 109 62.831 62.831 62.714 0.117 18842 8330 1 13 . 1 1 109 109 SER H H 109 7.881 7.881 8.679 -0.798 18842 8331 1 13 . 1 1 110 110 ARG N N 110 121.010 121.010 120.273 0.737 18842 8332 1 13 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.886 0.251 18842 8333 1 13 . 1 1 110 110 ARG C C 110 178.636 178.636 178.334 0.302 18842 8334 1 13 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.744 -0.368 18842 8335 1 13 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.814 0.036 18842 8336 1 13 . 1 1 110 110 ARG H H 110 7.550 7.550 7.277 0.273 18842 8337 1 13 . 1 1 111 111 TYR N N 111 117.243 117.243 115.271 1.972 18842 8338 1 13 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.624 0.171 18842 8339 1 13 . 1 1 111 111 TYR C C 111 176.218 176.218 177.069 -0.851 18842 8340 1 13 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.167 -0.593 18842 8341 1 13 . 1 1 111 111 TYR CB C 111 37.492 37.492 38.065 -0.573 18842 8342 1 13 . 1 1 111 111 TYR H H 111 7.496 7.496 7.379 0.117 18842 8343 1 13 . 1 1 112 112 LYS N N 112 121.040 121.040 121.825 -0.785 18842 8344 1 13 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.020 0.314 18842 8345 1 13 . 1 1 112 112 LYS C C 112 177.437 177.437 178.201 -0.764 18842 8346 1 13 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.565 -1.935 18842 8347 1 13 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.168 0.422 18842 8348 1 13 . 1 1 112 112 LYS H H 112 7.755 7.755 7.578 0.177 18842 8349 1 13 . 1 1 113 113 ASP N N 113 120.593 120.593 118.720 1.873 18842 8350 1 13 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.444 0.193 18842 8351 1 13 . 1 1 113 113 ASP C C 113 176.587 176.587 177.286 -0.699 18842 8352 1 13 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.938 0.155 18842 8353 1 13 . 1 1 113 113 ASP H H 113 8.246 8.246 8.171 0.075 18842 8354 1 13 . 1 1 114 114 ALA N N 114 123.721 123.721 120.662 3.059 18842 8355 1 13 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.337 0.012 18842 8356 1 13 . 1 1 114 114 ALA C C 114 178.004 178.004 177.975 0.029 18842 8357 1 13 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.876 0.010 18842 8358 1 13 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.796 -0.531 18842 8359 1 13 . 1 1 114 114 ALA H H 114 8.038 8.038 7.412 0.626 18842 8360 1 14 . 1 1 2 2 SER N N 2 113.417 113.417 115.582 -2.165 18842 8361 1 14 . 1 1 2 2 SER HA H 2 4.355 4.355 4.911 -0.556 18842 8362 1 14 . 1 1 2 2 SER CA C 2 58.647 58.647 59.023 -0.376 18842 8363 1 14 . 1 1 2 2 SER CB C 2 63.504 63.504 64.374 -0.870 18842 8364 1 14 . 1 1 2 2 SER H H 2 8.096 8.096 8.535 -0.439 18842 8365 1 14 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.821 -0.144 18842 8366 1 14 . 1 1 3 3 HIS C C 3 173.601 173.601 173.459 0.142 18842 8367 1 14 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.312 0.917 18842 8368 1 14 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.459 1.864 18842 8369 1 14 . 1 1 4 4 SER N N 4 113.555 113.555 112.050 1.505 18842 8370 1 14 . 1 1 4 4 SER HA H 4 5.483 5.483 4.944 0.539 18842 8371 1 14 . 1 1 4 4 SER C C 4 173.624 173.624 172.404 1.220 18842 8372 1 14 . 1 1 4 4 SER CA C 4 56.904 56.904 58.073 -1.169 18842 8373 1 14 . 1 1 4 4 SER CB C 4 65.900 65.900 65.310 0.590 18842 8374 1 14 . 1 1 4 4 SER H H 4 7.865 7.865 7.765 0.100 18842 8375 1 14 . 1 1 5 5 GLY N N 5 107.050 107.050 106.760 0.290 18842 8376 1 14 . 1 1 5 5 GLY C C 5 170.915 170.915 171.844 -0.929 18842 8377 1 14 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.615 0.802 18842 8378 1 14 . 1 1 5 5 GLY H H 5 8.370 8.370 8.817 -0.447 18842 8379 1 14 . 1 1 6 6 ALA N N 6 125.347 125.347 123.181 2.166 18842 8380 1 14 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.666 0.287 18842 8381 1 14 . 1 1 6 6 ALA C C 6 176.816 176.816 176.295 0.521 18842 8382 1 14 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.292 0.313 18842 8383 1 14 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.064 0.309 18842 8384 1 14 . 1 1 6 6 ALA H H 6 8.671 8.671 8.445 0.226 18842 8385 1 14 . 1 1 7 7 ALA N N 7 120.077 120.077 125.794 -5.717 18842 8386 1 14 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.446 0.216 18842 8387 1 14 . 1 1 7 7 ALA C C 7 176.697 176.697 175.959 0.738 18842 8388 1 14 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.597 2.071 18842 8389 1 14 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.630 2.418 18842 8390 1 14 . 1 1 7 7 ALA H H 7 8.391 8.391 7.947 0.444 18842 8391 1 14 . 1 1 8 8 ILE N N 8 125.517 125.517 118.495 7.022 18842 8392 1 14 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.176 -0.189 18842 8393 1 14 . 1 1 8 8 ILE C C 8 175.327 175.327 174.318 1.009 18842 8394 1 14 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.346 -0.502 18842 8395 1 14 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.670 -1.081 18842 8396 1 14 . 1 1 8 8 ILE H H 8 9.383 9.383 8.026 1.357 18842 8397 1 14 . 1 1 9 9 PHE N N 9 128.853 128.853 125.071 3.782 18842 8398 1 14 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.771 -0.454 18842 8399 1 14 . 1 1 9 9 PHE C C 9 173.920 173.920 174.755 -0.835 18842 8400 1 14 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.722 0.396 18842 8401 1 14 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.991 -2.166 18842 8402 1 14 . 1 1 9 9 PHE H H 9 8.467 8.467 9.167 -0.700 18842 8403 1 14 . 1 1 10 10 GLU N N 10 126.396 126.396 127.177 -0.781 18842 8404 1 14 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.554 -0.352 18842 8405 1 14 . 1 1 10 10 GLU C C 10 175.226 175.226 175.280 -0.054 18842 8406 1 14 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.049 -0.369 18842 8407 1 14 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.163 -1.468 18842 8408 1 14 . 1 1 10 10 GLU H H 10 8.769 8.769 9.115 -0.346 18842 8409 1 14 . 1 1 11 11 LYS N N 11 105.585 105.585 112.453 -6.868 18842 8410 1 14 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.962 -0.560 18842 8411 1 14 . 1 1 11 11 LYS C C 11 175.596 175.596 175.171 0.425 18842 8412 1 14 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.494 0.954 18842 8413 1 14 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.412 -1.278 18842 8414 1 14 . 1 1 11 11 LYS H H 11 7.931 7.931 8.376 -0.445 18842 8415 1 14 . 1 1 12 12 VAL N N 12 123.819 123.819 121.571 2.248 18842 8416 1 14 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.360 0.057 18842 8417 1 14 . 1 1 12 12 VAL C C 12 175.188 175.188 174.489 0.699 18842 8418 1 14 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.379 1.306 18842 8419 1 14 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.437 -0.258 18842 8420 1 14 . 1 1 12 12 VAL H H 12 7.954 7.954 7.374 0.580 18842 8421 1 14 . 1 1 13 13 SER N N 13 121.981 121.981 122.256 -0.275 18842 8422 1 14 . 1 1 13 13 SER HA H 13 4.624 4.624 4.748 -0.124 18842 8423 1 14 . 1 1 13 13 SER C C 13 175.408 175.408 174.131 1.277 18842 8424 1 14 . 1 1 13 13 SER CA C 13 59.766 59.766 58.083 1.683 18842 8425 1 14 . 1 1 13 13 SER CB C 13 63.591 63.591 64.394 -0.804 18842 8426 1 14 . 1 1 13 13 SER H H 13 8.895 8.895 8.714 0.181 18842 8427 1 14 . 1 1 14 14 GLY N N 14 113.215 113.215 110.720 2.495 18842 8428 1 14 . 1 1 14 14 GLY C C 14 172.790 172.790 172.251 0.539 18842 8429 1 14 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.654 1.883 18842 8430 1 14 . 1 1 14 14 GLY H H 14 8.287 8.287 9.466 -1.179 18842 8431 1 14 . 1 1 15 15 ILE N N 15 123.244 123.244 119.759 3.485 18842 8432 1 14 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.402 0.418 18842 8433 1 14 . 1 1 15 15 ILE C C 15 175.417 175.417 174.141 1.276 18842 8434 1 14 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.373 -0.070 18842 8435 1 14 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.016 1.780 18842 8436 1 14 . 1 1 15 15 ILE H H 15 8.330 8.330 7.804 0.526 18842 8437 1 14 . 1 1 16 16 ILE N N 16 127.640 127.640 128.807 -1.167 18842 8438 1 14 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.304 0.663 18842 8439 1 14 . 1 1 16 16 ILE C C 16 173.248 173.248 173.757 -0.509 18842 8440 1 14 . 1 1 16 16 ILE CA C 16 59.812 59.812 59.997 -0.185 18842 8441 1 14 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.319 2.404 18842 8442 1 14 . 1 1 16 16 ILE H H 16 9.438 9.438 9.244 0.194 18842 8443 1 14 . 1 1 17 17 ALA N N 17 127.760 127.760 130.849 -3.089 18842 8444 1 14 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.967 0.138 18842 8445 1 14 . 1 1 17 17 ALA C C 17 177.510 177.510 175.605 1.905 18842 8446 1 14 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.350 1.095 18842 8447 1 14 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.641 -0.480 18842 8448 1 14 . 1 1 17 17 ALA H H 17 8.968 8.968 8.485 0.483 18842 8449 1 14 . 1 1 18 18 ILE N N 18 122.269 122.269 122.795 -0.526 18842 8450 1 14 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.466 0.125 18842 8451 1 14 . 1 1 18 18 ILE C C 18 174.334 174.334 175.952 -1.618 18842 8452 1 14 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.900 -0.244 18842 8453 1 14 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.367 0.697 18842 8454 1 14 . 1 1 18 18 ILE H H 18 8.665 8.665 8.386 0.279 18842 8455 1 14 . 1 1 19 19 ASN N N 19 127.568 127.568 126.941 0.627 18842 8456 1 14 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.852 0.228 18842 8457 1 14 . 1 1 19 19 ASN C C 19 174.784 174.784 175.001 -0.217 18842 8458 1 14 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.253 -0.615 18842 8459 1 14 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.603 0.988 18842 8460 1 14 . 1 1 19 19 ASN H H 19 9.378 9.378 9.164 0.214 18842 8461 1 14 . 1 1 20 20 GLU N N 20 121.587 121.587 123.358 -1.771 18842 8462 1 14 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.436 0.267 18842 8463 1 14 . 1 1 20 20 GLU C C 20 176.152 176.152 175.667 0.485 18842 8464 1 14 . 1 1 20 20 GLU CA C 20 55.891 55.891 56.933 -1.042 18842 8465 1 14 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.803 1.064 18842 8466 1 14 . 1 1 20 20 GLU H H 20 9.046 9.046 8.111 0.935 18842 8467 1 14 . 1 1 21 21 ASP N N 21 121.077 121.077 117.780 3.297 18842 8468 1 14 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.813 -0.194 18842 8469 1 14 . 1 1 21 21 ASP C C 21 175.688 175.688 176.526 -0.838 18842 8470 1 14 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.558 0.954 18842 8471 1 14 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.810 -1.334 18842 8472 1 14 . 1 1 21 21 ASP H H 21 8.724 8.724 8.201 0.523 18842 8473 1 14 . 1 1 22 22 VAL N N 22 113.035 113.035 117.269 -4.234 18842 8474 1 14 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.454 -0.136 18842 8475 1 14 . 1 1 22 22 VAL C C 22 173.445 173.445 175.737 -2.292 18842 8476 1 14 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.788 -0.739 18842 8477 1 14 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.609 1.413 18842 8478 1 14 . 1 1 22 22 VAL H H 22 6.844 6.844 7.322 -0.478 18842 8479 1 14 . 1 1 23 23 SER N N 23 114.945 114.945 114.962 -0.017 18842 8480 1 14 . 1 1 23 23 SER HA H 23 4.735 4.735 4.491 0.244 18842 8481 1 14 . 1 1 23 23 SER CA C 23 53.765 53.765 60.653 -6.888 18842 8482 1 14 . 1 1 23 23 SER CB C 23 64.743 64.743 62.510 2.233 18842 8483 1 14 . 1 1 23 23 SER H H 23 8.046 8.046 8.509 -0.463 18842 8484 1 14 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.579 0.189 18842 8485 1 14 . 1 1 24 24 PRO C C 24 174.807 174.807 175.829 -1.022 18842 8486 1 14 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.912 0.848 18842 8487 1 14 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.902 2.839 18842 8488 1 14 . 1 1 25 25 ALA N N 25 120.415 120.415 128.838 -8.423 18842 8489 1 14 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.421 0.094 18842 8490 1 14 . 1 1 25 25 ALA C C 25 175.790 175.790 177.220 -1.430 18842 8491 1 14 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.641 -0.108 18842 8492 1 14 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.115 1.467 18842 8493 1 14 . 1 1 25 25 ALA H H 25 7.979 7.979 8.566 -0.587 18842 8494 1 14 . 1 1 26 26 GLU N N 26 115.395 115.395 124.137 -8.742 18842 8495 1 14 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.217 -0.178 18842 8496 1 14 . 1 1 26 26 GLU C C 26 174.619 174.619 174.781 -0.162 18842 8497 1 14 . 1 1 26 26 GLU CA C 26 54.029 54.029 53.539 0.490 18842 8498 1 14 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.256 1.360 18842 8499 1 14 . 1 1 26 26 GLU H H 26 7.851 7.851 8.126 -0.275 18842 8500 1 14 . 1 1 27 27 LEU N N 27 124.661 124.661 122.885 1.776 18842 8501 1 14 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.957 0.069 18842 8502 1 14 . 1 1 27 27 LEU C C 27 174.740 174.740 175.431 -0.691 18842 8503 1 14 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.055 -0.274 18842 8504 1 14 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.366 1.243 18842 8505 1 14 . 1 1 27 27 LEU H H 27 8.898 8.898 9.335 -0.437 18842 8506 1 14 . 1 1 28 28 THR N N 28 121.731 121.731 124.743 -3.012 18842 8507 1 14 . 1 1 28 28 THR HA H 28 5.207 5.207 4.676 0.531 18842 8508 1 14 . 1 1 28 28 THR C C 28 172.661 172.661 173.362 -0.701 18842 8509 1 14 . 1 1 28 28 THR CA C 28 61.178 61.178 62.443 -1.265 18842 8510 1 14 . 1 1 28 28 THR CB C 28 71.422 71.422 69.232 2.190 18842 8511 1 14 . 1 1 28 28 THR H H 28 9.283 9.283 9.196 0.087 18842 8512 1 14 . 1 1 29 29 TRP N N 29 128.950 128.950 131.853 -2.903 18842 8513 1 14 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.043 0.388 18842 8514 1 14 . 1 1 29 29 TRP C C 29 173.939 173.939 174.580 -0.641 18842 8515 1 14 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.946 -0.164 18842 8516 1 14 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.305 1.872 18842 8517 1 14 . 1 1 29 29 TRP H H 29 9.399 9.399 9.464 -0.065 18842 8518 1 14 . 1 1 30 30 ARG N N 30 126.402 126.402 129.608 -3.206 18842 8519 1 14 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.436 0.393 18842 8520 1 14 . 1 1 30 30 ARG C C 30 174.751 174.751 175.993 -1.242 18842 8521 1 14 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.012 -0.623 18842 8522 1 14 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.805 2.013 18842 8523 1 14 . 1 1 30 30 ARG H H 30 7.613 7.613 9.148 -1.535 18842 8524 1 14 . 1 1 31 31 SER N N 31 118.353 118.353 121.304 -2.951 18842 8525 1 14 . 1 1 31 31 SER HA H 31 4.138 4.138 3.758 0.380 18842 8526 1 14 . 1 1 31 31 SER C C 31 176.426 176.426 175.534 0.892 18842 8527 1 14 . 1 1 31 31 SER CA C 31 58.013 58.013 60.081 -2.067 18842 8528 1 14 . 1 1 31 31 SER CB C 31 64.081 64.081 63.302 0.779 18842 8529 1 14 . 1 1 31 31 SER H H 31 8.086 8.086 8.166 -0.080 18842 8530 1 14 . 1 1 32 32 THR N N 32 119.213 119.213 114.767 4.446 18842 8531 1 14 . 1 1 32 32 THR HA H 32 3.856 3.856 4.111 -0.255 18842 8532 1 14 . 1 1 32 32 THR C C 32 175.664 175.664 175.505 0.159 18842 8533 1 14 . 1 1 32 32 THR CA C 32 66.142 66.142 64.808 1.334 18842 8534 1 14 . 1 1 32 32 THR CB C 32 68.446 68.446 68.977 -0.531 18842 8535 1 14 . 1 1 32 32 THR H H 32 8.556 8.556 8.384 0.172 18842 8536 1 14 . 1 1 33 33 ASP N N 33 117.260 117.260 120.917 -3.657 18842 8537 1 14 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.595 0.032 18842 8538 1 14 . 1 1 33 33 ASP C C 33 177.098 177.098 176.788 0.310 18842 8539 1 14 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.898 -0.530 18842 8540 1 14 . 1 1 33 33 ASP H H 33 8.236 8.236 8.238 -0.002 18842 8541 1 14 . 1 1 34 34 GLY N N 34 109.136 109.136 106.377 2.759 18842 8542 1 14 . 1 1 34 34 GLY C C 34 173.778 173.778 174.141 -0.363 18842 8543 1 14 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.112 0.287 18842 8544 1 14 . 1 1 34 34 GLY H H 34 7.935 7.935 8.269 -0.334 18842 8545 1 14 . 1 1 35 35 ASP N N 35 117.913 117.913 118.647 -0.734 18842 8546 1 14 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.481 0.049 18842 8547 1 14 . 1 1 35 35 ASP C C 35 175.403 175.403 175.503 -0.100 18842 8548 1 14 . 1 1 35 35 ASP CA C 35 54.811 54.811 55.117 -0.306 18842 8549 1 14 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.199 -0.157 18842 8550 1 14 . 1 1 35 35 ASP H H 35 8.271 8.271 8.456 -0.184 18842 8551 1 14 . 1 1 36 36 LYS N N 36 120.335 120.335 118.801 1.534 18842 8552 1 14 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.716 0.191 18842 8553 1 14 . 1 1 36 36 LYS C C 36 174.651 174.651 174.090 0.561 18842 8554 1 14 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.068 0.339 18842 8555 1 14 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.690 0.144 18842 8556 1 14 . 1 1 36 36 LYS H H 36 7.769 7.769 7.548 0.221 18842 8557 1 14 . 1 1 37 37 VAL N N 37 121.484 121.484 122.921 -1.437 18842 8558 1 14 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.160 0.155 18842 8559 1 14 . 1 1 37 37 VAL C C 37 175.069 175.069 174.916 0.153 18842 8560 1 14 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.886 -0.788 18842 8561 1 14 . 1 1 37 37 VAL CB C 37 36.058 36.058 34.813 1.244 18842 8562 1 14 . 1 1 37 37 VAL H H 37 8.582 8.582 8.629 -0.047 18842 8563 1 14 . 1 1 38 38 HIS N N 38 125.660 125.660 128.506 -2.846 18842 8564 1 14 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.991 0.093 18842 8565 1 14 . 1 1 38 38 HIS C C 38 173.268 173.268 173.867 -0.599 18842 8566 1 14 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.315 0.753 18842 8567 1 14 . 1 1 38 38 HIS CB C 38 34.088 34.088 33.244 0.844 18842 8568 1 14 . 1 1 38 38 HIS H H 38 9.621 9.621 9.478 0.143 18842 8569 1 14 . 1 1 39 39 THR N N 39 124.752 124.752 121.734 3.018 18842 8570 1 14 . 1 1 39 39 THR HA H 39 5.139 5.139 5.267 -0.128 18842 8571 1 14 . 1 1 39 39 THR C C 39 173.208 173.208 173.371 -0.163 18842 8572 1 14 . 1 1 39 39 THR CA C 39 61.518 61.518 60.560 0.958 18842 8573 1 14 . 1 1 39 39 THR CB C 39 70.665 70.665 70.148 0.517 18842 8574 1 14 . 1 1 39 39 THR H H 39 8.527 8.527 8.273 0.254 18842 8575 1 14 . 1 1 40 40 VAL N N 40 126.002 126.002 123.018 2.984 18842 8576 1 14 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.315 -0.391 18842 8577 1 14 . 1 1 40 40 VAL C C 40 174.731 174.731 173.973 0.758 18842 8578 1 14 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.223 0.127 18842 8579 1 14 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.987 -1.623 18842 8580 1 14 . 1 1 40 40 VAL H H 40 9.388 9.388 9.069 0.319 18842 8581 1 14 . 1 1 41 41 VAL N N 41 129.872 129.872 127.942 1.930 18842 8582 1 14 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.266 -0.282 18842 8583 1 14 . 1 1 41 41 VAL C C 41 179.410 179.410 176.783 2.627 18842 8584 1 14 . 1 1 41 41 VAL CA C 41 63.616 63.616 62.063 1.553 18842 8585 1 14 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.378 -0.390 18842 8586 1 14 . 1 1 41 41 VAL H H 41 9.054 9.054 8.872 0.182 18842 8587 1 14 . 1 1 42 42 LEU N N 42 130.076 130.076 129.199 0.877 18842 8588 1 14 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.143 -0.189 18842 8589 1 14 . 1 1 42 42 LEU C C 42 176.121 176.121 178.477 -2.356 18842 8590 1 14 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.037 1.585 18842 8591 1 14 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.412 0.411 18842 8592 1 14 . 1 1 42 42 LEU H H 42 9.193 9.193 8.389 0.804 18842 8593 1 14 . 1 1 43 43 SER N N 43 109.703 109.703 112.107 -2.404 18842 8594 1 14 . 1 1 43 43 SER HA H 43 3.944 3.944 2.304 1.640 18842 8595 1 14 . 1 1 43 43 SER C C 43 175.455 175.455 175.094 0.361 18842 8596 1 14 . 1 1 43 43 SER CA C 43 59.442 59.442 60.071 -0.629 18842 8597 1 14 . 1 1 43 43 SER CB C 43 61.299 61.299 62.487 -1.188 18842 8598 1 14 . 1 1 43 43 SER H H 43 6.961 6.961 8.282 -1.321 18842 8599 1 14 . 1 1 44 44 THR N N 44 110.409 110.409 112.838 -2.429 18842 8600 1 14 . 1 1 44 44 THR HA H 44 4.519 4.519 4.230 0.289 18842 8601 1 14 . 1 1 44 44 THR C C 44 173.493 173.493 175.885 -2.392 18842 8602 1 14 . 1 1 44 44 THR CA C 44 62.076 62.076 63.120 -1.044 18842 8603 1 14 . 1 1 44 44 THR CB C 44 69.788 69.788 69.512 0.276 18842 8604 1 14 . 1 1 44 44 THR H H 44 7.657 7.657 7.613 0.044 18842 8605 1 14 . 1 1 45 45 ILE N N 45 120.972 120.972 124.536 -3.564 18842 8606 1 14 . 1 1 45 45 ILE HA H 45 4.325 4.325 3.982 0.343 18842 8607 1 14 . 1 1 45 45 ILE C C 45 173.882 173.882 175.648 -1.766 18842 8608 1 14 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.475 -3.435 18842 8609 1 14 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.860 0.640 18842 8610 1 14 . 1 1 45 45 ILE H H 45 7.089 7.089 7.726 -0.637 18842 8611 1 14 . 1 1 46 46 ASP N N 46 126.759 126.759 127.019 -0.260 18842 8612 1 14 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.449 0.213 18842 8613 1 14 . 1 1 46 46 ASP C C 46 175.424 175.424 175.549 -0.125 18842 8614 1 14 . 1 1 46 46 ASP CA C 46 55.017 55.017 55.917 -0.900 18842 8615 1 14 . 1 1 46 46 ASP CB C 46 44.583 44.583 42.077 2.506 18842 8616 1 14 . 1 1 46 46 ASP H H 46 9.372 9.372 8.477 0.895 18842 8617 1 14 . 1 1 47 47 LYS N N 47 111.663 111.663 113.197 -1.534 18842 8618 1 14 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.522 0.231 18842 8619 1 14 . 1 1 47 47 LYS C C 47 172.574 172.574 173.497 -0.923 18842 8620 1 14 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.361 -0.746 18842 8621 1 14 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.294 1.902 18842 8622 1 14 . 1 1 47 47 LYS H H 47 7.522 7.522 7.505 0.017 18842 8623 1 14 . 1 1 48 48 LEU N N 48 123.295 123.295 121.489 1.806 18842 8624 1 14 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.980 0.163 18842 8625 1 14 . 1 1 48 48 LEU C C 48 174.770 174.770 175.824 -1.054 18842 8626 1 14 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.830 -0.894 18842 8627 1 14 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.964 0.616 18842 8628 1 14 . 1 1 48 48 LEU H H 48 8.938 8.938 8.458 0.480 18842 8629 1 14 . 1 1 49 49 GLN N N 49 120.979 120.979 121.673 -0.694 18842 8630 1 14 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.676 0.836 18842 8631 1 14 . 1 1 49 49 GLN C C 49 174.626 174.626 174.037 0.589 18842 8632 1 14 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.045 -1.414 18842 8633 1 14 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.164 0.925 18842 8634 1 14 . 1 1 49 49 GLN H H 49 9.246 9.246 9.083 0.163 18842 8635 1 14 . 1 1 50 50 ALA N N 50 122.440 122.440 125.669 -3.229 18842 8636 1 14 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.863 0.945 18842 8637 1 14 . 1 1 50 50 ALA C C 50 177.277 177.277 176.207 1.070 18842 8638 1 14 . 1 1 50 50 ALA CA C 50 50.621 50.621 50.650 -0.029 18842 8639 1 14 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.815 2.708 18842 8640 1 14 . 1 1 50 50 ALA H H 50 9.365 9.365 8.326 1.039 18842 8641 1 14 . 1 1 51 51 THR N N 51 114.289 114.289 116.983 -2.694 18842 8642 1 14 . 1 1 51 51 THR HA H 51 4.615 4.615 4.148 0.467 18842 8643 1 14 . 1 1 51 51 THR CA C 51 59.197 59.197 61.723 -2.526 18842 8644 1 14 . 1 1 51 51 THR CB C 51 67.937 67.937 68.093 -0.156 18842 8645 1 14 . 1 1 51 51 THR H H 51 8.368 8.368 7.998 0.370 18842 8646 1 14 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.323 0.208 18842 8647 1 14 . 1 1 52 52 PRO C C 52 178.380 178.380 177.863 0.517 18842 8648 1 14 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.976 -0.601 18842 8649 1 14 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.109 0.530 18842 8650 1 14 . 1 1 53 53 ALA N N 53 126.235 126.235 124.018 2.217 18842 8651 1 14 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.082 -0.052 18842 8652 1 14 . 1 1 53 53 ALA C C 53 177.700 177.700 178.240 -0.540 18842 8653 1 14 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.294 0.501 18842 8654 1 14 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.715 -0.696 18842 8655 1 14 . 1 1 53 53 ALA H H 53 9.122 9.122 8.406 0.716 18842 8656 1 14 . 1 1 54 54 SER N N 54 107.216 107.216 111.746 -4.530 18842 8657 1 14 . 1 1 54 54 SER HA H 54 4.238 4.238 4.386 -0.148 18842 8658 1 14 . 1 1 54 54 SER C C 54 174.957 174.957 174.754 0.203 18842 8659 1 14 . 1 1 54 54 SER CA C 54 58.260 58.260 58.597 -0.338 18842 8660 1 14 . 1 1 54 54 SER CB C 54 63.120 63.120 63.284 -0.164 18842 8661 1 14 . 1 1 54 54 SER H H 54 7.620 7.620 8.012 -0.392 18842 8662 1 14 . 1 1 55 55 SER N N 55 117.523 117.523 118.159 -0.636 18842 8663 1 14 . 1 1 55 55 SER HA H 55 4.469 4.469 4.510 -0.041 18842 8664 1 14 . 1 1 55 55 SER C C 55 174.952 174.952 174.362 0.590 18842 8665 1 14 . 1 1 55 55 SER CA C 55 57.500 57.500 58.109 -0.610 18842 8666 1 14 . 1 1 55 55 SER CB C 55 63.801 63.801 64.314 -0.513 18842 8667 1 14 . 1 1 55 55 SER H H 55 7.676 7.676 7.894 -0.218 18842 8668 1 14 . 1 1 56 56 GLU N N 56 124.557 124.557 124.385 0.172 18842 8669 1 14 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.340 -0.161 18842 8670 1 14 . 1 1 56 56 GLU C C 56 177.924 177.924 177.045 0.879 18842 8671 1 14 . 1 1 56 56 GLU CA C 56 57.661 57.661 57.040 0.621 18842 8672 1 14 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.009 -0.180 18842 8673 1 14 . 1 1 56 56 GLU H H 56 8.844 8.844 8.699 0.145 18842 8674 1 14 . 1 1 57 57 LYS N N 57 119.220 119.220 120.013 -0.793 18842 8675 1 14 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.388 -0.092 18842 8676 1 14 . 1 1 57 57 LYS C C 57 175.667 175.667 175.670 -0.003 18842 8677 1 14 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.526 0.329 18842 8678 1 14 . 1 1 57 57 LYS CB C 57 33.855 33.855 33.514 0.341 18842 8679 1 14 . 1 1 57 57 LYS H H 57 8.259 8.259 7.425 0.834 18842 8680 1 14 . 1 1 58 58 MET N N 58 123.270 123.270 120.729 2.541 18842 8681 1 14 . 1 1 58 58 MET HA H 58 4.288 4.288 4.795 -0.507 18842 8682 1 14 . 1 1 58 58 MET C C 58 174.107 174.107 175.342 -1.235 18842 8683 1 14 . 1 1 58 58 MET CA C 58 55.067 55.067 54.725 0.342 18842 8684 1 14 . 1 1 58 58 MET CB C 58 35.381 35.381 32.841 2.540 18842 8685 1 14 . 1 1 58 58 MET H H 58 8.811 8.811 8.660 0.151 18842 8686 1 14 . 1 1 59 59 MET N N 59 120.490 120.490 120.680 -0.190 18842 8687 1 14 . 1 1 59 59 MET HA H 59 5.873 5.873 5.025 0.848 18842 8688 1 14 . 1 1 59 59 MET C C 59 174.459 174.459 173.731 0.728 18842 8689 1 14 . 1 1 59 59 MET CA C 59 54.903 54.903 55.504 -0.601 18842 8690 1 14 . 1 1 59 59 MET CB C 59 39.231 39.231 36.615 2.616 18842 8691 1 14 . 1 1 59 59 MET H H 59 8.395 8.395 8.256 0.139 18842 8692 1 14 . 1 1 60 60 LEU N N 60 118.105 118.105 121.866 -3.761 18842 8693 1 14 . 1 1 60 60 LEU HA H 60 5.664 5.664 5.082 0.582 18842 8694 1 14 . 1 1 60 60 LEU C C 60 175.664 175.664 175.681 -0.017 18842 8695 1 14 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.227 -1.099 18842 8696 1 14 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.184 2.252 18842 8697 1 14 . 1 1 60 60 LEU H H 60 9.103 9.103 9.359 -0.256 18842 8698 1 14 . 1 1 61 61 ARG N N 61 120.757 120.757 120.975 -0.218 18842 8699 1 14 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.120 0.338 18842 8700 1 14 . 1 1 61 61 ARG C C 61 173.515 173.515 174.234 -0.719 18842 8701 1 14 . 1 1 61 61 ARG CA C 61 54.724 54.724 53.873 0.851 18842 8702 1 14 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.269 0.863 18842 8703 1 14 . 1 1 61 61 ARG H H 61 9.287 9.287 8.932 0.355 18842 8704 1 14 . 1 1 62 62 LEU N N 62 127.139 127.139 124.420 2.719 18842 8705 1 14 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.783 0.246 18842 8706 1 14 . 1 1 62 62 LEU C C 62 175.440 175.440 174.736 0.704 18842 8707 1 14 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.628 0.772 18842 8708 1 14 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.070 -1.967 18842 8709 1 14 . 1 1 62 62 LEU H H 62 9.307 9.307 8.131 1.176 18842 8710 1 14 . 1 1 63 63 ILE N N 63 123.292 123.292 124.749 -1.457 18842 8711 1 14 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.289 0.299 18842 8712 1 14 . 1 1 63 63 ILE C C 63 176.319 176.319 175.982 0.337 18842 8713 1 14 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.278 0.109 18842 8714 1 14 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.509 -0.388 18842 8715 1 14 . 1 1 63 63 ILE H H 63 8.891 8.891 9.016 -0.125 18842 8716 1 14 . 1 1 64 64 GLY N N 64 115.565 115.565 114.470 1.095 18842 8717 1 14 . 1 1 64 64 GLY C C 64 172.551 172.551 172.967 -0.416 18842 8718 1 14 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.319 2.111 18842 8719 1 14 . 1 1 64 64 GLY H H 64 9.356 9.356 7.643 1.713 18842 8720 1 14 . 1 1 65 65 LYS N N 65 119.442 119.442 118.414 1.028 18842 8721 1 14 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.304 -0.009 18842 8722 1 14 . 1 1 65 65 LYS C C 65 176.205 176.205 177.433 -1.228 18842 8723 1 14 . 1 1 65 65 LYS CA C 65 56.588 56.588 55.722 0.866 18842 8724 1 14 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.935 1.418 18842 8725 1 14 . 1 1 65 65 LYS H H 65 8.361 8.361 8.288 0.073 18842 8726 1 14 . 1 1 66 66 VAL N N 66 122.131 122.131 123.574 -1.443 18842 8727 1 14 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.087 -0.001 18842 8728 1 14 . 1 1 66 66 VAL C C 66 175.265 175.265 174.631 0.634 18842 8729 1 14 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.900 0.163 18842 8730 1 14 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.322 0.943 18842 8731 1 14 . 1 1 66 66 VAL H H 66 8.637 8.637 8.582 0.055 18842 8732 1 14 . 1 1 67 67 ASP N N 67 125.510 125.510 117.902 7.608 18842 8733 1 14 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.384 0.343 18842 8734 1 14 . 1 1 67 67 ASP C C 67 176.708 176.708 175.445 1.263 18842 8735 1 14 . 1 1 67 67 ASP CA C 67 53.140 53.140 55.398 -2.258 18842 8736 1 14 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.704 -0.774 18842 8737 1 14 . 1 1 67 67 ASP H H 67 8.460 8.460 7.995 0.465 18842 8738 1 14 . 1 1 68 68 GLU N N 68 124.449 124.449 122.721 1.728 18842 8739 1 14 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.417 -0.329 18842 8740 1 14 . 1 1 68 68 GLU C C 68 177.451 177.451 175.976 1.475 18842 8741 1 14 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.829 1.026 18842 8742 1 14 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.896 -0.219 18842 8743 1 14 . 1 1 68 68 GLU H H 68 8.752 8.752 8.771 -0.019 18842 8744 1 14 . 1 1 69 69 SER N N 69 115.515 115.515 114.111 1.404 18842 8745 1 14 . 1 1 69 69 SER HA H 69 4.329 4.329 4.501 -0.172 18842 8746 1 14 . 1 1 69 69 SER C C 69 175.277 175.277 174.769 0.508 18842 8747 1 14 . 1 1 69 69 SER CA C 69 60.139 60.139 59.498 0.641 18842 8748 1 14 . 1 1 69 69 SER CB C 69 63.223 63.223 63.657 -0.434 18842 8749 1 14 . 1 1 69 69 SER H H 69 8.497 8.497 8.206 0.291 18842 8750 1 14 . 1 1 70 70 LYS N N 70 121.733 121.733 120.842 0.891 18842 8751 1 14 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.434 -0.024 18842 8752 1 14 . 1 1 70 70 LYS C C 70 177.124 177.124 176.402 0.722 18842 8753 1 14 . 1 1 70 70 LYS CA C 70 55.324 55.324 55.829 -0.505 18842 8754 1 14 . 1 1 70 70 LYS H H 70 7.689 7.689 7.917 -0.228 18842 8755 1 14 . 1 1 71 71 LYS N N 71 121.012 121.012 116.716 4.296 18842 8756 1 14 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.915 0.492 18842 8757 1 14 . 1 1 71 71 LYS C C 71 176.175 176.175 175.655 0.520 18842 8758 1 14 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.500 -0.888 18842 8759 1 14 . 1 1 71 71 LYS H H 71 7.750 7.750 8.349 -0.599 18842 8760 1 14 . 1 1 72 72 ARG N N 72 122.064 122.064 117.187 4.877 18842 8761 1 14 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.597 0.004 18842 8762 1 14 . 1 1 72 72 ARG C C 72 175.228 175.228 174.171 1.057 18842 8763 1 14 . 1 1 72 72 ARG CA C 72 54.929 54.929 54.614 0.316 18842 8764 1 14 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.202 0.123 18842 8765 1 14 . 1 1 72 72 ARG H H 72 8.420 8.420 8.411 0.009 18842 8766 1 14 . 1 1 73 73 LYS N N 73 121.217 121.217 119.061 2.156 18842 8767 1 14 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.514 0.419 18842 8768 1 14 . 1 1 73 73 LYS C C 73 177.010 177.010 176.275 0.735 18842 8769 1 14 . 1 1 73 73 LYS CA C 73 55.205 55.205 56.023 -0.818 18842 8770 1 14 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.160 1.520 18842 8771 1 14 . 1 1 73 73 LYS H H 73 8.401 8.401 8.471 -0.070 18842 8772 1 14 . 1 1 74 74 ASP N N 74 122.025 122.025 120.154 1.871 18842 8773 1 14 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.754 -0.044 18842 8774 1 14 . 1 1 74 74 ASP C C 74 177.475 177.475 175.591 1.884 18842 8775 1 14 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.545 -0.789 18842 8776 1 14 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.283 -0.261 18842 8777 1 14 . 1 1 74 74 ASP H H 74 8.582 8.582 8.360 0.222 18842 8778 1 14 . 1 1 75 75 ASN N N 75 116.228 116.228 115.937 0.291 18842 8779 1 14 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.453 0.083 18842 8780 1 14 . 1 1 75 75 ASN C C 75 175.999 175.999 174.957 1.042 18842 8781 1 14 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.605 0.248 18842 8782 1 14 . 1 1 75 75 ASN CB C 75 38.132 38.132 36.908 1.224 18842 8783 1 14 . 1 1 75 75 ASN H H 75 8.433 8.433 8.716 -0.283 18842 8784 1 14 . 1 1 76 76 GLU N N 76 118.958 118.958 117.773 1.185 18842 8785 1 14 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.505 -0.124 18842 8786 1 14 . 1 1 76 76 GLU C C 76 176.556 176.556 176.894 -0.338 18842 8787 1 14 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.340 -0.177 18842 8788 1 14 . 1 1 76 76 GLU H H 76 8.162 8.162 8.323 -0.161 18842 8789 1 14 . 1 1 77 77 GLY N N 77 108.062 108.062 108.253 -0.191 18842 8790 1 14 . 1 1 77 77 GLY C C 77 174.247 174.247 172.935 1.312 18842 8791 1 14 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.619 0.591 18842 8792 1 14 . 1 1 77 77 GLY H H 77 8.106 8.106 7.935 0.171 18842 8793 1 14 . 1 1 78 78 ASN N N 78 119.929 119.929 118.433 1.496 18842 8794 1 14 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.816 -0.070 18842 8795 1 14 . 1 1 78 78 ASN C C 78 175.035 175.035 174.015 1.020 18842 8796 1 14 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.749 0.046 18842 8797 1 14 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.900 -0.955 18842 8798 1 14 . 1 1 78 78 ASN H H 78 8.569 8.569 8.038 0.531 18842 8799 1 14 . 1 1 79 79 GLU N N 79 121.658 121.658 125.776 -4.118 18842 8800 1 14 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.240 0.241 18842 8801 1 14 . 1 1 79 79 GLU C C 79 176.302 176.302 175.525 0.777 18842 8802 1 14 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.165 -0.503 18842 8803 1 14 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.912 1.731 18842 8804 1 14 . 1 1 79 79 GLU H H 79 8.691 8.691 8.541 0.150 18842 8805 1 14 . 1 1 80 80 VAL N N 80 123.997 123.997 121.704 2.293 18842 8806 1 14 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.609 -0.354 18842 8807 1 14 . 1 1 80 80 VAL C C 80 175.544 175.544 174.141 1.403 18842 8808 1 14 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.994 1.299 18842 8809 1 14 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.317 -1.774 18842 8810 1 14 . 1 1 80 80 VAL H H 80 8.581 8.581 8.417 0.164 18842 8811 1 14 . 1 1 81 81 VAL N N 81 126.545 126.545 119.436 7.109 18842 8812 1 14 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.424 0.002 18842 8813 1 14 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.517 0.034 18842 8814 1 14 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.361 1.533 18842 8815 1 14 . 1 1 81 81 VAL H H 81 8.407 8.407 8.271 0.136 18842 8816 1 14 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.317 0.115 18842 8817 1 14 . 1 1 82 82 PRO C C 82 176.036 176.036 176.258 -0.222 18842 8818 1 14 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.125 -0.560 18842 8819 1 14 . 1 1 83 83 LYS N N 83 121.727 121.727 122.205 -0.478 18842 8820 1 14 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.301 0.250 18842 8821 1 14 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.304 -1.525 18842 8822 1 14 . 1 1 83 83 LYS H H 83 8.316 8.316 8.345 -0.029 18842 8823 1 14 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.382 -0.089 18842 8824 1 14 . 1 1 84 84 PRO C C 84 176.883 176.883 176.035 0.848 18842 8825 1 14 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.663 -0.187 18842 8826 1 14 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.550 -0.109 18842 8827 1 14 . 1 1 85 85 GLN N N 85 121.423 121.423 121.703 -0.280 18842 8828 1 14 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.090 0.055 18842 8829 1 14 . 1 1 85 85 GLN C C 85 175.026 175.026 175.379 -0.353 18842 8830 1 14 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.710 -0.669 18842 8831 1 14 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.399 1.410 18842 8832 1 14 . 1 1 85 85 GLN H H 85 8.471 8.471 8.544 -0.073 18842 8833 1 14 . 1 1 86 86 ARG N N 86 120.972 120.972 122.338 -1.366 18842 8834 1 14 . 1 1 86 86 ARG HA H 86 5.187 5.187 5.091 0.096 18842 8835 1 14 . 1 1 86 86 ARG C C 86 175.091 175.091 174.751 0.340 18842 8836 1 14 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.772 0.620 18842 8837 1 14 . 1 1 86 86 ARG CB C 86 33.428 33.428 34.002 -0.574 18842 8838 1 14 . 1 1 86 86 ARG H H 86 8.265 8.265 8.020 0.245 18842 8839 1 14 . 1 1 87 87 HIS N N 87 120.390 120.390 118.540 1.850 18842 8840 1 14 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.705 0.039 18842 8841 1 14 . 1 1 87 87 HIS C C 87 173.730 173.730 173.381 0.349 18842 8842 1 14 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.595 -0.388 18842 8843 1 14 . 1 1 87 87 HIS CB C 87 33.597 33.597 31.841 1.756 18842 8844 1 14 . 1 1 87 87 HIS H H 87 8.590 8.590 8.160 0.430 18842 8845 1 14 . 1 1 88 88 MET N N 88 126.611 126.611 123.803 2.808 18842 8846 1 14 . 1 1 88 88 MET HA H 88 5.320 5.320 4.373 0.947 18842 8847 1 14 . 1 1 88 88 MET C C 88 173.520 173.520 173.958 -0.438 18842 8848 1 14 . 1 1 88 88 MET CA C 88 54.782 54.782 55.319 -0.537 18842 8849 1 14 . 1 1 88 88 MET CB C 88 35.451 35.451 32.887 2.564 18842 8850 1 14 . 1 1 88 88 MET H H 88 8.716 8.716 8.772 -0.056 18842 8851 1 14 . 1 1 89 89 PHE N N 89 122.328 122.328 126.292 -3.964 18842 8852 1 14 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.641 -0.431 18842 8853 1 14 . 1 1 89 89 PHE C C 89 174.448 174.448 175.291 -0.843 18842 8854 1 14 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.258 1.194 18842 8855 1 14 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.146 2.942 18842 8856 1 14 . 1 1 89 89 PHE H H 89 8.989 8.989 8.747 0.242 18842 8857 1 14 . 1 1 90 90 SER N N 90 116.094 116.094 117.350 -1.256 18842 8858 1 14 . 1 1 90 90 SER HA H 90 5.681 5.681 4.946 0.735 18842 8859 1 14 . 1 1 90 90 SER C C 90 173.094 173.094 173.533 -0.439 18842 8860 1 14 . 1 1 90 90 SER CA C 90 56.645 56.645 56.754 -0.109 18842 8861 1 14 . 1 1 90 90 SER CB C 90 64.824 64.824 64.443 0.381 18842 8862 1 14 . 1 1 90 90 SER H H 90 8.680 8.680 8.485 0.195 18842 8863 1 14 . 1 1 91 91 PHE N N 91 120.812 120.812 124.986 -4.174 18842 8864 1 14 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.787 0.107 18842 8865 1 14 . 1 1 91 91 PHE C C 91 174.500 174.500 175.672 -1.172 18842 8866 1 14 . 1 1 91 91 PHE CA C 91 57.402 57.402 58.036 -0.634 18842 8867 1 14 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.348 1.979 18842 8868 1 14 . 1 1 91 91 PHE H H 91 9.050 9.050 8.173 0.877 18842 8869 1 14 . 1 1 92 92 ASN N N 92 115.876 115.876 117.715 -1.839 18842 8870 1 14 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.797 0.305 18842 8871 1 14 . 1 1 92 92 ASN C C 92 174.901 174.901 174.540 0.361 18842 8872 1 14 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.649 -1.442 18842 8873 1 14 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.477 -0.613 18842 8874 1 14 . 1 1 92 92 ASN H H 92 9.135 9.135 8.708 0.427 18842 8875 1 14 . 1 1 93 93 ASN N N 93 118.335 118.335 117.103 1.232 18842 8876 1 14 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.855 0.046 18842 8877 1 14 . 1 1 93 93 ASN C C 93 174.579 174.579 176.139 -1.560 18842 8878 1 14 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.414 0.614 18842 8879 1 14 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.604 1.198 18842 8880 1 14 . 1 1 93 93 ASN H H 93 7.271 7.271 8.137 -0.866 18842 8881 1 14 . 1 1 94 94 ARG N N 94 129.027 129.027 122.219 6.808 18842 8882 1 14 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.326 -0.461 18842 8883 1 14 . 1 1 94 94 ARG C C 94 176.782 176.782 177.171 -0.389 18842 8884 1 14 . 1 1 94 94 ARG CA C 94 59.051 59.051 59.195 -0.144 18842 8885 1 14 . 1 1 94 94 ARG H H 94 9.334 9.334 8.672 0.662 18842 8886 1 14 . 1 1 95 95 THR N N 95 115.756 115.756 116.703 -0.947 18842 8887 1 14 . 1 1 95 95 THR HA H 95 4.028 4.028 4.085 -0.057 18842 8888 1 14 . 1 1 95 95 THR C C 95 176.742 176.742 176.790 -0.048 18842 8889 1 14 . 1 1 95 95 THR CA C 95 66.325 66.325 66.101 0.224 18842 8890 1 14 . 1 1 95 95 THR CB C 95 68.281 68.281 68.148 0.133 18842 8891 1 14 . 1 1 95 95 THR H H 95 8.000 8.000 8.205 -0.205 18842 8892 1 14 . 1 1 96 96 VAL N N 96 121.852 121.852 121.355 0.497 18842 8893 1 14 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.837 -0.041 18842 8894 1 14 . 1 1 96 96 VAL C C 96 177.587 177.587 177.051 0.536 18842 8895 1 14 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.323 -0.365 18842 8896 1 14 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.833 0.194 18842 8897 1 14 . 1 1 96 96 VAL H H 96 7.609 7.609 8.122 -0.513 18842 8898 1 14 . 1 1 97 97 MET N N 97 117.469 117.469 119.071 -1.602 18842 8899 1 14 . 1 1 97 97 MET HA H 97 2.337 2.337 3.967 -1.630 18842 8900 1 14 . 1 1 97 97 MET C C 97 177.257 177.257 177.533 -0.276 18842 8901 1 14 . 1 1 97 97 MET H H 97 7.337 7.337 7.635 -0.298 18842 8902 1 14 . 1 1 98 98 ASP N N 98 118.162 118.162 119.820 -1.658 18842 8903 1 14 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.361 -0.045 18842 8904 1 14 . 1 1 98 98 ASP C C 98 178.771 178.771 178.873 -0.102 18842 8905 1 14 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.645 -0.091 18842 8906 1 14 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.413 -0.634 18842 8907 1 14 . 1 1 98 98 ASP H H 98 8.729 8.729 8.059 0.670 18842 8908 1 14 . 1 1 99 99 ASN N N 99 120.303 120.303 118.754 1.549 18842 8909 1 14 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.554 -0.085 18842 8910 1 14 . 1 1 99 99 ASN C C 99 178.220 178.220 177.446 0.774 18842 8911 1 14 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.113 -0.019 18842 8912 1 14 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.790 -0.418 18842 8913 1 14 . 1 1 99 99 ASN H H 99 8.104 8.104 7.725 0.379 18842 8914 1 14 . 1 1 100 100 ILE N N 100 121.160 121.160 121.042 0.118 18842 8915 1 14 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.737 -0.091 18842 8916 1 14 . 1 1 100 100 ILE C C 100 177.361 177.361 177.944 -0.583 18842 8917 1 14 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.257 -1.511 18842 8918 1 14 . 1 1 100 100 ILE CB C 100 35.702 35.702 36.968 -1.266 18842 8919 1 14 . 1 1 100 100 ILE H H 100 8.020 8.020 8.156 -0.136 18842 8920 1 14 . 1 1 101 101 LYS N N 101 120.747 120.747 120.073 0.674 18842 8921 1 14 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.813 -0.129 18842 8922 1 14 . 1 1 101 101 LYS C C 101 177.127 177.127 179.081 -1.954 18842 8923 1 14 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.123 0.037 18842 8924 1 14 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.422 0.575 18842 8925 1 14 . 1 1 101 101 LYS H H 101 8.907 8.907 8.094 0.813 18842 8926 1 14 . 1 1 102 102 MET N N 102 116.126 116.126 115.169 0.957 18842 8927 1 14 . 1 1 102 102 MET HA H 102 4.245 4.245 4.455 -0.210 18842 8928 1 14 . 1 1 102 102 MET C C 102 178.941 178.941 178.415 0.526 18842 8929 1 14 . 1 1 102 102 MET CA C 102 58.367 58.367 58.050 0.317 18842 8930 1 14 . 1 1 102 102 MET CB C 102 32.055 32.055 32.307 -0.252 18842 8931 1 14 . 1 1 102 102 MET H H 102 8.002 8.002 7.643 0.359 18842 8932 1 14 . 1 1 103 103 THR N N 103 117.988 117.988 117.799 0.189 18842 8933 1 14 . 1 1 103 103 THR HA H 103 3.861 3.861 3.802 0.059 18842 8934 1 14 . 1 1 103 103 THR C C 103 176.493 176.493 176.630 -0.137 18842 8935 1 14 . 1 1 103 103 THR CA C 103 66.168 66.168 66.897 -0.729 18842 8936 1 14 . 1 1 103 103 THR CB C 103 67.923 67.923 68.723 -0.800 18842 8937 1 14 . 1 1 103 103 THR H H 103 7.694 7.694 8.360 -0.666 18842 8938 1 14 . 1 1 104 104 LEU N N 104 119.248 119.248 120.519 -1.271 18842 8939 1 14 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.990 -0.110 18842 8940 1 14 . 1 1 104 104 LEU C C 104 178.072 178.072 178.410 -0.338 18842 8941 1 14 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.678 -0.632 18842 8942 1 14 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.436 1.458 18842 8943 1 14 . 1 1 104 104 LEU H H 104 8.530 8.530 8.630 -0.100 18842 8944 1 14 . 1 1 105 105 GLN N N 105 119.071 119.071 117.443 1.628 18842 8945 1 14 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.870 0.098 18842 8946 1 14 . 1 1 105 105 GLN C C 105 178.675 178.675 178.326 0.349 18842 8947 1 14 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.715 0.358 18842 8948 1 14 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.727 0.241 18842 8949 1 14 . 1 1 105 105 GLN H H 105 8.623 8.623 7.777 0.847 18842 8950 1 14 . 1 1 106 106 GLN N N 106 117.946 117.946 118.908 -0.962 18842 8951 1 14 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.095 -0.056 18842 8952 1 14 . 1 1 106 106 GLN C C 106 178.677 178.677 178.090 0.587 18842 8953 1 14 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.157 0.558 18842 8954 1 14 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.355 0.109 18842 8955 1 14 . 1 1 106 106 GLN H H 106 7.581 7.581 7.713 -0.132 18842 8956 1 14 . 1 1 107 107 ILE N N 107 120.013 120.013 118.237 1.776 18842 8957 1 14 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.744 -0.279 18842 8958 1 14 . 1 1 107 107 ILE C C 107 177.586 177.586 177.575 0.011 18842 8959 1 14 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.028 1.454 18842 8960 1 14 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.593 0.546 18842 8961 1 14 . 1 1 107 107 ILE H H 107 7.801 7.801 7.921 -0.120 18842 8962 1 14 . 1 1 108 108 ILE N N 108 117.686 117.686 121.639 -3.953 18842 8963 1 14 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.889 -0.105 18842 8964 1 14 . 1 1 108 108 ILE C C 108 179.171 179.171 178.545 0.626 18842 8965 1 14 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.665 -0.062 18842 8966 1 14 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.894 0.347 18842 8967 1 14 . 1 1 108 108 ILE H H 108 8.734 8.734 8.164 0.570 18842 8968 1 14 . 1 1 109 109 SER N N 109 114.198 114.198 114.490 -0.292 18842 8969 1 14 . 1 1 109 109 SER HA H 109 4.214 4.214 4.024 0.190 18842 8970 1 14 . 1 1 109 109 SER C C 109 176.381 176.381 176.179 0.202 18842 8971 1 14 . 1 1 109 109 SER CA C 109 61.564 61.564 61.240 0.324 18842 8972 1 14 . 1 1 109 109 SER CB C 109 62.831 62.831 63.081 -0.250 18842 8973 1 14 . 1 1 109 109 SER H H 109 7.881 7.881 8.407 -0.526 18842 8974 1 14 . 1 1 110 110 ARG N N 110 121.010 121.010 120.734 0.276 18842 8975 1 14 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.904 0.233 18842 8976 1 14 . 1 1 110 110 ARG C C 110 178.636 178.636 178.443 0.193 18842 8977 1 14 . 1 1 110 110 ARG CA C 110 58.376 58.376 59.046 -0.670 18842 8978 1 14 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.133 0.717 18842 8979 1 14 . 1 1 110 110 ARG H H 110 7.550 7.550 7.609 -0.059 18842 8980 1 14 . 1 1 111 111 TYR N N 111 117.243 117.243 117.814 -0.571 18842 8981 1 14 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.328 0.467 18842 8982 1 14 . 1 1 111 111 TYR C C 111 176.218 176.218 178.292 -2.074 18842 8983 1 14 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.894 -2.320 18842 8984 1 14 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.526 -0.034 18842 8985 1 14 . 1 1 111 111 TYR H H 111 7.496 7.496 7.280 0.216 18842 8986 1 14 . 1 1 112 112 LYS N N 112 121.040 121.040 121.327 -0.287 18842 8987 1 14 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.013 0.321 18842 8988 1 14 . 1 1 112 112 LYS C C 112 177.437 177.437 178.291 -0.854 18842 8989 1 14 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.585 -1.955 18842 8990 1 14 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.202 0.388 18842 8991 1 14 . 1 1 112 112 LYS H H 112 7.755 7.755 7.388 0.367 18842 8992 1 14 . 1 1 113 113 ASP N N 113 120.593 120.593 118.523 2.070 18842 8993 1 14 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.481 0.156 18842 8994 1 14 . 1 1 113 113 ASP C C 113 176.587 176.587 178.099 -1.512 18842 8995 1 14 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.737 0.356 18842 8996 1 14 . 1 1 113 113 ASP H H 113 8.246 8.246 7.942 0.304 18842 8997 1 14 . 1 1 114 114 ALA N N 114 123.721 123.721 121.227 2.494 18842 8998 1 14 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.160 0.189 18842 8999 1 14 . 1 1 114 114 ALA C C 114 178.004 178.004 178.166 -0.162 18842 9000 1 14 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.350 -0.464 18842 9001 1 14 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.360 -0.095 18842 9002 1 14 . 1 1 114 114 ALA H H 114 8.038 8.038 7.604 0.434 18842 9003 1 15 . 1 1 2 2 SER N N 2 113.417 113.417 115.570 -2.153 18842 9004 1 15 . 1 1 2 2 SER HA H 2 4.355 4.355 4.493 -0.138 18842 9005 1 15 . 1 1 2 2 SER CA C 2 58.647 58.647 58.759 -0.112 18842 9006 1 15 . 1 1 2 2 SER CB C 2 63.504 63.504 64.546 -1.042 18842 9007 1 15 . 1 1 2 2 SER H H 2 8.096 8.096 8.683 -0.587 18842 9008 1 15 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.820 -0.143 18842 9009 1 15 . 1 1 3 3 HIS C C 3 173.601 173.601 172.807 0.794 18842 9010 1 15 . 1 1 3 3 HIS CA C 3 56.229 56.229 54.333 1.896 18842 9011 1 15 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.348 1.975 18842 9012 1 15 . 1 1 4 4 SER N N 4 113.555 113.555 114.261 -0.706 18842 9013 1 15 . 1 1 4 4 SER HA H 4 5.483 5.483 4.903 0.580 18842 9014 1 15 . 1 1 4 4 SER C C 4 173.624 173.624 172.326 1.298 18842 9015 1 15 . 1 1 4 4 SER CA C 4 56.904 56.904 58.160 -1.256 18842 9016 1 15 . 1 1 4 4 SER CB C 4 65.900 65.900 65.290 0.611 18842 9017 1 15 . 1 1 4 4 SER H H 4 7.865 7.865 7.901 -0.036 18842 9018 1 15 . 1 1 5 5 GLY N N 5 107.050 107.050 106.894 0.156 18842 9019 1 15 . 1 1 5 5 GLY C C 5 170.915 170.915 171.827 -0.912 18842 9020 1 15 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.767 0.650 18842 9021 1 15 . 1 1 5 5 GLY H H 5 8.370 8.370 8.823 -0.453 18842 9022 1 15 . 1 1 6 6 ALA N N 6 125.347 125.347 123.243 2.104 18842 9023 1 15 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.638 0.315 18842 9024 1 15 . 1 1 6 6 ALA C C 6 176.816 176.816 176.260 0.556 18842 9025 1 15 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.224 0.381 18842 9026 1 15 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.834 0.539 18842 9027 1 15 . 1 1 6 6 ALA H H 6 8.671 8.671 8.435 0.236 18842 9028 1 15 . 1 1 7 7 ALA N N 7 120.077 120.077 125.576 -5.499 18842 9029 1 15 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.572 0.090 18842 9030 1 15 . 1 1 7 7 ALA C C 7 176.697 176.697 175.977 0.720 18842 9031 1 15 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.580 2.088 18842 9032 1 15 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.702 2.346 18842 9033 1 15 . 1 1 7 7 ALA H H 7 8.391 8.391 7.823 0.568 18842 9034 1 15 . 1 1 8 8 ILE N N 8 125.517 125.517 117.234 8.283 18842 9035 1 15 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.167 -0.180 18842 9036 1 15 . 1 1 8 8 ILE C C 8 175.327 175.327 174.319 1.008 18842 9037 1 15 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.195 -0.351 18842 9038 1 15 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.335 -1.746 18842 9039 1 15 . 1 1 8 8 ILE H H 8 9.383 9.383 8.014 1.369 18842 9040 1 15 . 1 1 9 9 PHE N N 9 128.853 128.853 123.948 4.905 18842 9041 1 15 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.744 -0.427 18842 9042 1 15 . 1 1 9 9 PHE C C 9 173.920 173.920 174.583 -0.663 18842 9043 1 15 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.180 -0.062 18842 9044 1 15 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.940 -3.115 18842 9045 1 15 . 1 1 9 9 PHE H H 9 8.467 8.467 9.270 -0.803 18842 9046 1 15 . 1 1 10 10 GLU N N 10 126.396 126.396 124.927 1.469 18842 9047 1 15 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.550 -0.348 18842 9048 1 15 . 1 1 10 10 GLU C C 10 175.226 175.226 175.530 -0.304 18842 9049 1 15 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.520 -0.840 18842 9050 1 15 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.090 -1.395 18842 9051 1 15 . 1 1 10 10 GLU H H 10 8.769 8.769 8.696 0.073 18842 9052 1 15 . 1 1 11 11 LYS N N 11 105.585 105.585 110.515 -4.930 18842 9053 1 15 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.895 -0.493 18842 9054 1 15 . 1 1 11 11 LYS C C 11 175.596 175.596 175.243 0.353 18842 9055 1 15 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.719 0.729 18842 9056 1 15 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.225 -1.091 18842 9057 1 15 . 1 1 11 11 LYS H H 11 7.931 7.931 8.268 -0.337 18842 9058 1 15 . 1 1 12 12 VAL N N 12 123.819 123.819 121.424 2.395 18842 9059 1 15 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.396 0.021 18842 9060 1 15 . 1 1 12 12 VAL C C 12 175.188 175.188 174.480 0.708 18842 9061 1 15 . 1 1 12 12 VAL CA C 12 61.685 61.685 59.910 1.775 18842 9062 1 15 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.309 -0.130 18842 9063 1 15 . 1 1 12 12 VAL H H 12 7.954 7.954 8.035 -0.081 18842 9064 1 15 . 1 1 13 13 SER N N 13 121.981 121.981 124.236 -2.255 18842 9065 1 15 . 1 1 13 13 SER HA H 13 4.624 4.624 5.018 -0.394 18842 9066 1 15 . 1 1 13 13 SER C C 13 175.408 175.408 174.330 1.078 18842 9067 1 15 . 1 1 13 13 SER CA C 13 59.766 59.766 58.937 0.829 18842 9068 1 15 . 1 1 13 13 SER CB C 13 63.591 63.591 64.075 -0.484 18842 9069 1 15 . 1 1 13 13 SER H H 13 8.895 8.895 8.891 0.004 18842 9070 1 15 . 1 1 14 14 GLY N N 14 113.215 113.215 112.649 0.566 18842 9071 1 15 . 1 1 14 14 GLY C C 14 172.790 172.790 172.236 0.554 18842 9072 1 15 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.691 1.846 18842 9073 1 15 . 1 1 14 14 GLY H H 14 8.287 8.287 9.549 -1.262 18842 9074 1 15 . 1 1 15 15 ILE N N 15 123.244 123.244 119.580 3.664 18842 9075 1 15 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.360 0.460 18842 9076 1 15 . 1 1 15 15 ILE C C 15 175.417 175.417 174.075 1.342 18842 9077 1 15 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.529 -0.226 18842 9078 1 15 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.185 1.611 18842 9079 1 15 . 1 1 15 15 ILE H H 15 8.330 8.330 7.137 1.193 18842 9080 1 15 . 1 1 16 16 ILE N N 16 127.640 127.640 128.603 -0.963 18842 9081 1 15 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.324 0.643 18842 9082 1 15 . 1 1 16 16 ILE C C 16 173.248 173.248 173.725 -0.477 18842 9083 1 15 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.044 -0.232 18842 9084 1 15 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.402 2.321 18842 9085 1 15 . 1 1 16 16 ILE H H 16 9.438 9.438 9.238 0.200 18842 9086 1 15 . 1 1 17 17 ALA N N 17 127.760 127.760 130.752 -2.992 18842 9087 1 15 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.839 0.266 18842 9088 1 15 . 1 1 17 17 ALA C C 17 177.510 177.510 175.419 2.091 18842 9089 1 15 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.304 1.141 18842 9090 1 15 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.554 -0.393 18842 9091 1 15 . 1 1 17 17 ALA H H 17 8.968 8.968 8.597 0.371 18842 9092 1 15 . 1 1 18 18 ILE N N 18 122.269 122.269 122.811 -0.542 18842 9093 1 15 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.454 0.137 18842 9094 1 15 . 1 1 18 18 ILE C C 18 174.334 174.334 175.680 -1.346 18842 9095 1 15 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.654 0.002 18842 9096 1 15 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.363 0.701 18842 9097 1 15 . 1 1 18 18 ILE H H 18 8.665 8.665 8.438 0.227 18842 9098 1 15 . 1 1 19 19 ASN N N 19 127.568 127.568 127.126 0.442 18842 9099 1 15 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.798 0.282 18842 9100 1 15 . 1 1 19 19 ASN C C 19 174.784 174.784 175.343 -0.559 18842 9101 1 15 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.563 -0.925 18842 9102 1 15 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.874 0.717 18842 9103 1 15 . 1 1 19 19 ASN H H 19 9.378 9.378 9.158 0.220 18842 9104 1 15 . 1 1 20 20 GLU N N 20 121.587 121.587 124.221 -2.634 18842 9105 1 15 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.353 0.350 18842 9106 1 15 . 1 1 20 20 GLU C C 20 176.152 176.152 175.735 0.417 18842 9107 1 15 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.311 -1.420 18842 9108 1 15 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.568 1.299 18842 9109 1 15 . 1 1 20 20 GLU H H 20 9.046 9.046 8.342 0.704 18842 9110 1 15 . 1 1 21 21 ASP N N 21 121.077 121.077 117.200 3.877 18842 9111 1 15 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.739 -0.120 18842 9112 1 15 . 1 1 21 21 ASP C C 21 175.688 175.688 177.087 -1.399 18842 9113 1 15 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.845 0.667 18842 9114 1 15 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.086 -0.610 18842 9115 1 15 . 1 1 21 21 ASP H H 21 8.724 8.724 8.294 0.430 18842 9116 1 15 . 1 1 22 22 VAL N N 22 113.035 113.035 114.884 -1.849 18842 9117 1 15 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.245 0.073 18842 9118 1 15 . 1 1 22 22 VAL C C 22 173.445 173.445 176.164 -2.719 18842 9119 1 15 . 1 1 22 22 VAL CA C 22 59.049 59.049 61.030 -1.981 18842 9120 1 15 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.940 1.082 18842 9121 1 15 . 1 1 22 22 VAL H H 22 6.844 6.844 7.284 -0.440 18842 9122 1 15 . 1 1 23 23 SER N N 23 114.945 114.945 114.457 0.488 18842 9123 1 15 . 1 1 23 23 SER HA H 23 4.735 4.735 4.708 0.027 18842 9124 1 15 . 1 1 23 23 SER CA C 23 53.765 53.765 60.419 -6.654 18842 9125 1 15 . 1 1 23 23 SER CB C 23 64.743 64.743 61.464 3.279 18842 9126 1 15 . 1 1 23 23 SER H H 23 8.046 8.046 8.547 -0.501 18842 9127 1 15 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.800 -0.032 18842 9128 1 15 . 1 1 24 24 PRO C C 24 174.807 174.807 175.537 -0.730 18842 9129 1 15 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.718 0.042 18842 9130 1 15 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.602 3.139 18842 9131 1 15 . 1 1 25 25 ALA N N 25 120.415 120.415 117.995 2.420 18842 9132 1 15 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.182 0.333 18842 9133 1 15 . 1 1 25 25 ALA C C 25 175.790 175.790 176.246 -0.456 18842 9134 1 15 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.805 -0.272 18842 9135 1 15 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.452 2.130 18842 9136 1 15 . 1 1 25 25 ALA H H 25 7.979 7.979 8.022 -0.043 18842 9137 1 15 . 1 1 26 26 GLU N N 26 115.395 115.395 122.148 -6.753 18842 9138 1 15 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.115 -0.076 18842 9139 1 15 . 1 1 26 26 GLU C C 26 174.619 174.619 175.048 -0.429 18842 9140 1 15 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.201 -0.172 18842 9141 1 15 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.557 1.059 18842 9142 1 15 . 1 1 26 26 GLU H H 26 7.851 7.851 7.996 -0.145 18842 9143 1 15 . 1 1 27 27 LEU N N 27 124.661 124.661 123.468 1.193 18842 9144 1 15 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.895 0.131 18842 9145 1 15 . 1 1 27 27 LEU C C 27 174.740 174.740 175.161 -0.421 18842 9146 1 15 . 1 1 27 27 LEU CA C 27 53.781 53.781 53.949 -0.168 18842 9147 1 15 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.562 1.047 18842 9148 1 15 . 1 1 27 27 LEU H H 27 8.898 8.898 9.342 -0.444 18842 9149 1 15 . 1 1 28 28 THR N N 28 121.731 121.731 124.924 -3.193 18842 9150 1 15 . 1 1 28 28 THR HA H 28 5.207 5.207 4.979 0.228 18842 9151 1 15 . 1 1 28 28 THR C C 28 172.661 172.661 173.459 -0.798 18842 9152 1 15 . 1 1 28 28 THR CA C 28 61.178 61.178 62.127 -0.948 18842 9153 1 15 . 1 1 28 28 THR CB C 28 71.422 71.422 69.580 1.842 18842 9154 1 15 . 1 1 28 28 THR H H 28 9.283 9.283 9.129 0.154 18842 9155 1 15 . 1 1 29 29 TRP N N 29 128.950 128.950 131.580 -2.630 18842 9156 1 15 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.028 0.403 18842 9157 1 15 . 1 1 29 29 TRP C C 29 173.939 173.939 174.494 -0.555 18842 9158 1 15 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.142 -0.360 18842 9159 1 15 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.331 1.847 18842 9160 1 15 . 1 1 29 29 TRP H H 29 9.399 9.399 9.455 -0.056 18842 9161 1 15 . 1 1 30 30 ARG N N 30 126.402 126.402 130.278 -3.876 18842 9162 1 15 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.369 0.460 18842 9163 1 15 . 1 1 30 30 ARG C C 30 174.751 174.751 175.713 -0.962 18842 9164 1 15 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.214 -0.825 18842 9165 1 15 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.838 1.980 18842 9166 1 15 . 1 1 30 30 ARG H H 30 7.613 7.613 9.087 -1.474 18842 9167 1 15 . 1 1 31 31 SER N N 31 118.353 118.353 121.603 -3.250 18842 9168 1 15 . 1 1 31 31 SER HA H 31 4.138 4.138 3.701 0.437 18842 9169 1 15 . 1 1 31 31 SER C C 31 176.426 176.426 175.318 1.108 18842 9170 1 15 . 1 1 31 31 SER CA C 31 58.013 58.013 58.913 -0.900 18842 9171 1 15 . 1 1 31 31 SER CB C 31 64.081 64.081 63.494 0.587 18842 9172 1 15 . 1 1 31 31 SER H H 31 8.086 8.086 8.097 -0.011 18842 9173 1 15 . 1 1 32 32 THR N N 32 119.213 119.213 114.147 5.066 18842 9174 1 15 . 1 1 32 32 THR HA H 32 3.856 3.856 4.126 -0.270 18842 9175 1 15 . 1 1 32 32 THR C C 32 175.664 175.664 175.651 0.013 18842 9176 1 15 . 1 1 32 32 THR CA C 32 66.142 66.142 64.623 1.519 18842 9177 1 15 . 1 1 32 32 THR CB C 32 68.446 68.446 68.824 -0.378 18842 9178 1 15 . 1 1 32 32 THR H H 32 8.556 8.556 8.275 0.281 18842 9179 1 15 . 1 1 33 33 ASP N N 33 117.260 117.260 120.398 -3.138 18842 9180 1 15 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.595 0.032 18842 9181 1 15 . 1 1 33 33 ASP C C 33 177.098 177.098 177.056 0.042 18842 9182 1 15 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.868 -0.501 18842 9183 1 15 . 1 1 33 33 ASP H H 33 8.236 8.236 8.174 0.062 18842 9184 1 15 . 1 1 34 34 GLY N N 34 109.136 109.136 107.329 1.807 18842 9185 1 15 . 1 1 34 34 GLY C C 34 173.778 173.778 174.706 -0.928 18842 9186 1 15 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.983 0.416 18842 9187 1 15 . 1 1 34 34 GLY H H 34 7.935 7.935 8.138 -0.203 18842 9188 1 15 . 1 1 35 35 ASP N N 35 117.913 117.913 120.314 -2.401 18842 9189 1 15 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.789 -0.259 18842 9190 1 15 . 1 1 35 35 ASP C C 35 175.403 175.403 175.530 -0.127 18842 9191 1 15 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.264 0.547 18842 9192 1 15 . 1 1 35 35 ASP CB C 35 41.042 41.042 42.086 -1.044 18842 9193 1 15 . 1 1 35 35 ASP H H 35 8.271 8.271 8.230 0.041 18842 9194 1 15 . 1 1 36 36 LYS N N 36 120.335 120.335 119.292 1.043 18842 9195 1 15 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.721 0.186 18842 9196 1 15 . 1 1 36 36 LYS C C 36 174.651 174.651 174.246 0.405 18842 9197 1 15 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.467 -0.060 18842 9198 1 15 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.935 -0.101 18842 9199 1 15 . 1 1 36 36 LYS H H 36 7.769 7.769 7.761 0.008 18842 9200 1 15 . 1 1 37 37 VAL N N 37 121.484 121.484 121.628 -0.144 18842 9201 1 15 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.119 0.196 18842 9202 1 15 . 1 1 37 37 VAL C C 37 175.069 175.069 174.862 0.207 18842 9203 1 15 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.623 0.475 18842 9204 1 15 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.210 0.848 18842 9205 1 15 . 1 1 37 37 VAL H H 37 8.582 8.582 8.551 0.031 18842 9206 1 15 . 1 1 38 38 HIS N N 38 125.660 125.660 123.869 1.791 18842 9207 1 15 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.901 0.183 18842 9208 1 15 . 1 1 38 38 HIS C C 38 173.268 173.268 173.160 0.108 18842 9209 1 15 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.910 0.158 18842 9210 1 15 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.149 -0.061 18842 9211 1 15 . 1 1 38 38 HIS H H 38 9.621 9.621 8.919 0.702 18842 9212 1 15 . 1 1 39 39 THR N N 39 124.752 124.752 120.517 4.235 18842 9213 1 15 . 1 1 39 39 THR HA H 39 5.139 5.139 4.962 0.177 18842 9214 1 15 . 1 1 39 39 THR C C 39 173.208 173.208 172.739 0.469 18842 9215 1 15 . 1 1 39 39 THR CA C 39 61.518 61.518 61.151 0.367 18842 9216 1 15 . 1 1 39 39 THR CB C 39 70.665 70.665 70.838 -0.173 18842 9217 1 15 . 1 1 39 39 THR H H 39 8.527 8.527 7.858 0.669 18842 9218 1 15 . 1 1 40 40 VAL N N 40 126.002 126.002 125.983 0.019 18842 9219 1 15 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.254 -0.330 18842 9220 1 15 . 1 1 40 40 VAL C C 40 174.731 174.731 173.768 0.963 18842 9221 1 15 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.355 -0.005 18842 9222 1 15 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.001 -1.636 18842 9223 1 15 . 1 1 40 40 VAL H H 40 9.388 9.388 9.114 0.274 18842 9224 1 15 . 1 1 41 41 VAL N N 41 129.872 129.872 128.861 1.011 18842 9225 1 15 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.222 -0.238 18842 9226 1 15 . 1 1 41 41 VAL C C 41 179.410 179.410 176.601 2.809 18842 9227 1 15 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.672 1.944 18842 9228 1 15 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.319 -0.331 18842 9229 1 15 . 1 1 41 41 VAL H H 41 9.054 9.054 8.946 0.108 18842 9230 1 15 . 1 1 42 42 LEU N N 42 130.076 130.076 128.049 2.027 18842 9231 1 15 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.132 -0.178 18842 9232 1 15 . 1 1 42 42 LEU C C 42 176.121 176.121 178.488 -2.367 18842 9233 1 15 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.428 1.194 18842 9234 1 15 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.960 -0.137 18842 9235 1 15 . 1 1 42 42 LEU H H 42 9.193 9.193 8.083 1.110 18842 9236 1 15 . 1 1 43 43 SER N N 43 109.703 109.703 111.708 -2.005 18842 9237 1 15 . 1 1 43 43 SER HA H 43 3.944 3.944 2.691 1.254 18842 9238 1 15 . 1 1 43 43 SER C C 43 175.455 175.455 175.166 0.289 18842 9239 1 15 . 1 1 43 43 SER CA C 43 59.442 59.442 60.039 -0.597 18842 9240 1 15 . 1 1 43 43 SER CB C 43 61.299 61.299 62.746 -1.447 18842 9241 1 15 . 1 1 43 43 SER H H 43 6.961 6.961 8.235 -1.274 18842 9242 1 15 . 1 1 44 44 THR N N 44 110.409 110.409 111.345 -0.936 18842 9243 1 15 . 1 1 44 44 THR HA H 44 4.519 4.519 4.199 0.320 18842 9244 1 15 . 1 1 44 44 THR C C 44 173.493 173.493 175.217 -1.724 18842 9245 1 15 . 1 1 44 44 THR CA C 44 62.076 62.076 62.801 -0.725 18842 9246 1 15 . 1 1 44 44 THR CB C 44 69.788 69.788 70.101 -0.313 18842 9247 1 15 . 1 1 44 44 THR H H 44 7.657 7.657 7.650 0.007 18842 9248 1 15 . 1 1 45 45 ILE N N 45 120.972 120.972 124.461 -3.489 18842 9249 1 15 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.177 0.148 18842 9250 1 15 . 1 1 45 45 ILE C C 45 173.882 173.882 176.840 -2.958 18842 9251 1 15 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.681 -3.641 18842 9252 1 15 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.592 -0.092 18842 9253 1 15 . 1 1 45 45 ILE H H 45 7.089 7.089 7.763 -0.674 18842 9254 1 15 . 1 1 46 46 ASP N N 46 126.759 126.759 127.910 -1.151 18842 9255 1 15 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.436 0.226 18842 9256 1 15 . 1 1 46 46 ASP C C 46 175.424 175.424 175.751 -0.327 18842 9257 1 15 . 1 1 46 46 ASP CA C 46 55.017 55.017 55.940 -0.923 18842 9258 1 15 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.438 3.146 18842 9259 1 15 . 1 1 46 46 ASP H H 46 9.372 9.372 8.542 0.830 18842 9260 1 15 . 1 1 47 47 LYS N N 47 111.663 111.663 112.090 -0.427 18842 9261 1 15 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.413 0.340 18842 9262 1 15 . 1 1 47 47 LYS C C 47 172.574 172.574 173.650 -1.076 18842 9263 1 15 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.486 -0.870 18842 9264 1 15 . 1 1 47 47 LYS CB C 47 36.196 36.196 33.856 2.340 18842 9265 1 15 . 1 1 47 47 LYS H H 47 7.522 7.522 7.232 0.290 18842 9266 1 15 . 1 1 48 48 LEU N N 48 123.295 123.295 120.741 2.554 18842 9267 1 15 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.863 0.280 18842 9268 1 15 . 1 1 48 48 LEU C C 48 174.770 174.770 176.528 -1.758 18842 9269 1 15 . 1 1 48 48 LEU CA C 48 52.936 52.936 54.143 -1.207 18842 9270 1 15 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.669 0.911 18842 9271 1 15 . 1 1 48 48 LEU H H 48 8.938 8.938 8.480 0.458 18842 9272 1 15 . 1 1 49 49 GLN N N 49 120.979 120.979 119.737 1.242 18842 9273 1 15 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.626 0.886 18842 9274 1 15 . 1 1 49 49 GLN C C 49 174.626 174.626 173.939 0.687 18842 9275 1 15 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.247 -1.616 18842 9276 1 15 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.244 0.845 18842 9277 1 15 . 1 1 49 49 GLN H H 49 9.246 9.246 8.588 0.658 18842 9278 1 15 . 1 1 50 50 ALA N N 50 122.440 122.440 125.372 -2.932 18842 9279 1 15 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.611 1.197 18842 9280 1 15 . 1 1 50 50 ALA C C 50 177.277 177.277 176.286 0.991 18842 9281 1 15 . 1 1 50 50 ALA CA C 50 50.621 50.621 50.763 -0.142 18842 9282 1 15 . 1 1 50 50 ALA CB C 50 24.523 24.523 22.279 2.244 18842 9283 1 15 . 1 1 50 50 ALA H H 50 9.365 9.365 8.293 1.072 18842 9284 1 15 . 1 1 51 51 THR N N 51 114.289 114.289 116.320 -2.031 18842 9285 1 15 . 1 1 51 51 THR HA H 51 4.615 4.615 4.521 0.094 18842 9286 1 15 . 1 1 51 51 THR CA C 51 59.197 59.197 60.301 -1.104 18842 9287 1 15 . 1 1 51 51 THR CB C 51 67.937 67.937 67.992 -0.055 18842 9288 1 15 . 1 1 51 51 THR H H 51 8.368 8.368 8.257 0.111 18842 9289 1 15 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.293 0.238 18842 9290 1 15 . 1 1 52 52 PRO C C 52 178.380 178.380 177.686 0.694 18842 9291 1 15 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.940 -0.564 18842 9292 1 15 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.193 0.447 18842 9293 1 15 . 1 1 53 53 ALA N N 53 126.235 126.235 122.284 3.951 18842 9294 1 15 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.128 -0.098 18842 9295 1 15 . 1 1 53 53 ALA C C 53 177.700 177.700 178.640 -0.940 18842 9296 1 15 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.200 0.595 18842 9297 1 15 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.721 -0.702 18842 9298 1 15 . 1 1 53 53 ALA H H 53 9.122 9.122 8.382 0.740 18842 9299 1 15 . 1 1 54 54 SER N N 54 107.216 107.216 111.719 -4.503 18842 9300 1 15 . 1 1 54 54 SER HA H 54 4.238 4.238 4.429 -0.191 18842 9301 1 15 . 1 1 54 54 SER C C 54 174.957 174.957 174.594 0.363 18842 9302 1 15 . 1 1 54 54 SER CA C 54 58.260 58.260 57.845 0.415 18842 9303 1 15 . 1 1 54 54 SER CB C 54 63.120 63.120 63.538 -0.417 18842 9304 1 15 . 1 1 54 54 SER H H 54 7.620 7.620 7.929 -0.309 18842 9305 1 15 . 1 1 55 55 SER N N 55 117.523 117.523 118.079 -0.556 18842 9306 1 15 . 1 1 55 55 SER HA H 55 4.469 4.469 4.471 -0.002 18842 9307 1 15 . 1 1 55 55 SER C C 55 174.952 174.952 174.611 0.341 18842 9308 1 15 . 1 1 55 55 SER CA C 55 57.500 57.500 58.627 -1.127 18842 9309 1 15 . 1 1 55 55 SER CB C 55 63.801 63.801 63.860 -0.059 18842 9310 1 15 . 1 1 55 55 SER H H 55 7.676 7.676 7.701 -0.025 18842 9311 1 15 . 1 1 56 56 GLU N N 56 124.557 124.557 122.768 1.789 18842 9312 1 15 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.152 0.027 18842 9313 1 15 . 1 1 56 56 GLU C C 56 177.924 177.924 176.410 1.514 18842 9314 1 15 . 1 1 56 56 GLU CA C 56 57.661 57.661 57.912 -0.251 18842 9315 1 15 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.110 -0.281 18842 9316 1 15 . 1 1 56 56 GLU H H 56 8.844 8.844 8.779 0.065 18842 9317 1 15 . 1 1 57 57 LYS N N 57 119.220 119.220 119.048 0.172 18842 9318 1 15 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.498 -0.202 18842 9319 1 15 . 1 1 57 57 LYS C C 57 175.667 175.667 175.592 0.075 18842 9320 1 15 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.652 1.203 18842 9321 1 15 . 1 1 57 57 LYS CB C 57 33.855 33.855 33.148 0.707 18842 9322 1 15 . 1 1 57 57 LYS H H 57 8.259 8.259 7.831 0.428 18842 9323 1 15 . 1 1 58 58 MET N N 58 123.270 123.270 123.133 0.137 18842 9324 1 15 . 1 1 58 58 MET HA H 58 4.288 4.288 4.672 -0.384 18842 9325 1 15 . 1 1 58 58 MET C C 58 174.107 174.107 175.339 -1.232 18842 9326 1 15 . 1 1 58 58 MET CA C 58 55.067 55.067 54.921 0.146 18842 9327 1 15 . 1 1 58 58 MET CB C 58 35.381 35.381 32.536 2.845 18842 9328 1 15 . 1 1 58 58 MET H H 58 8.811 8.811 8.737 0.074 18842 9329 1 15 . 1 1 59 59 MET N N 59 120.490 120.490 121.667 -1.177 18842 9330 1 15 . 1 1 59 59 MET HA H 59 5.873 5.873 4.997 0.876 18842 9331 1 15 . 1 1 59 59 MET C C 59 174.459 174.459 174.130 0.329 18842 9332 1 15 . 1 1 59 59 MET CA C 59 54.903 54.903 55.251 -0.348 18842 9333 1 15 . 1 1 59 59 MET CB C 59 39.231 39.231 37.329 1.902 18842 9334 1 15 . 1 1 59 59 MET H H 59 8.395 8.395 9.212 -0.817 18842 9335 1 15 . 1 1 60 60 LEU N N 60 118.105 118.105 122.082 -3.977 18842 9336 1 15 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.891 0.773 18842 9337 1 15 . 1 1 60 60 LEU C C 60 175.664 175.664 175.522 0.142 18842 9338 1 15 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.685 -0.557 18842 9339 1 15 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.800 2.635 18842 9340 1 15 . 1 1 60 60 LEU H H 60 9.103 9.103 9.180 -0.077 18842 9341 1 15 . 1 1 61 61 ARG N N 61 120.757 120.757 121.242 -0.485 18842 9342 1 15 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.418 0.040 18842 9343 1 15 . 1 1 61 61 ARG C C 61 173.515 173.515 174.270 -0.755 18842 9344 1 15 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.292 0.432 18842 9345 1 15 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.127 1.005 18842 9346 1 15 . 1 1 61 61 ARG H H 61 9.287 9.287 8.832 0.455 18842 9347 1 15 . 1 1 62 62 LEU N N 62 127.139 127.139 123.285 3.854 18842 9348 1 15 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.866 0.163 18842 9349 1 15 . 1 1 62 62 LEU C C 62 175.440 175.440 175.232 0.208 18842 9350 1 15 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.576 0.824 18842 9351 1 15 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.602 -2.499 18842 9352 1 15 . 1 1 62 62 LEU H H 62 9.307 9.307 8.837 0.470 18842 9353 1 15 . 1 1 63 63 ILE N N 63 123.292 123.292 125.879 -2.587 18842 9354 1 15 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.569 0.019 18842 9355 1 15 . 1 1 63 63 ILE C C 63 176.319 176.319 175.837 0.482 18842 9356 1 15 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.855 0.532 18842 9357 1 15 . 1 1 63 63 ILE CB C 63 38.121 38.121 39.166 -1.045 18842 9358 1 15 . 1 1 63 63 ILE H H 63 8.891 8.891 8.948 -0.057 18842 9359 1 15 . 1 1 64 64 GLY N N 64 115.565 115.565 110.386 5.179 18842 9360 1 15 . 1 1 64 64 GLY C C 64 172.551 172.551 172.920 -0.369 18842 9361 1 15 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.399 2.030 18842 9362 1 15 . 1 1 64 64 GLY H H 64 9.356 9.356 7.609 1.747 18842 9363 1 15 . 1 1 65 65 LYS N N 65 119.442 119.442 121.035 -1.593 18842 9364 1 15 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.106 0.189 18842 9365 1 15 . 1 1 65 65 LYS C C 65 176.205 176.205 176.026 0.179 18842 9366 1 15 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.480 -0.892 18842 9367 1 15 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.646 1.707 18842 9368 1 15 . 1 1 65 65 LYS H H 65 8.361 8.361 8.354 0.007 18842 9369 1 15 . 1 1 66 66 VAL N N 66 122.131 122.131 126.237 -4.106 18842 9370 1 15 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.248 -0.162 18842 9371 1 15 . 1 1 66 66 VAL C C 66 175.265 175.265 174.591 0.674 18842 9372 1 15 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.794 0.269 18842 9373 1 15 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.333 -0.069 18842 9374 1 15 . 1 1 66 66 VAL H H 66 8.637 8.637 8.530 0.107 18842 9375 1 15 . 1 1 67 67 ASP N N 67 125.510 125.510 116.454 9.056 18842 9376 1 15 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.667 0.060 18842 9377 1 15 . 1 1 67 67 ASP C C 67 176.708 176.708 174.675 2.033 18842 9378 1 15 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.106 -0.966 18842 9379 1 15 . 1 1 67 67 ASP CB C 67 40.930 40.930 42.448 -1.518 18842 9380 1 15 . 1 1 67 67 ASP H H 67 8.460 8.460 8.085 0.375 18842 9381 1 15 . 1 1 68 68 GLU N N 68 124.449 124.449 121.322 3.127 18842 9382 1 15 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.551 -0.463 18842 9383 1 15 . 1 1 68 68 GLU C C 68 177.451 177.451 177.336 0.115 18842 9384 1 15 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.708 1.147 18842 9385 1 15 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.628 -0.951 18842 9386 1 15 . 1 1 68 68 GLU H H 68 8.752 8.752 8.629 0.123 18842 9387 1 15 . 1 1 69 69 SER N N 69 115.515 115.515 115.326 0.189 18842 9388 1 15 . 1 1 69 69 SER HA H 69 4.329 4.329 4.251 0.078 18842 9389 1 15 . 1 1 69 69 SER C C 69 175.277 175.277 175.181 0.096 18842 9390 1 15 . 1 1 69 69 SER CA C 69 60.139 60.139 60.016 0.123 18842 9391 1 15 . 1 1 69 69 SER CB C 69 63.223 63.223 63.491 -0.268 18842 9392 1 15 . 1 1 69 69 SER H H 69 8.497 8.497 8.126 0.371 18842 9393 1 15 . 1 1 70 70 LYS N N 70 121.733 121.733 121.321 0.412 18842 9394 1 15 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.428 -0.018 18842 9395 1 15 . 1 1 70 70 LYS C C 70 177.124 177.124 175.277 1.847 18842 9396 1 15 . 1 1 70 70 LYS CA C 70 55.324 55.324 55.800 -0.476 18842 9397 1 15 . 1 1 70 70 LYS H H 70 7.689 7.689 7.789 -0.100 18842 9398 1 15 . 1 1 71 71 LYS N N 71 121.012 121.012 122.198 -1.186 18842 9399 1 15 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.335 0.072 18842 9400 1 15 . 1 1 71 71 LYS C C 71 176.175 176.175 176.636 -0.461 18842 9401 1 15 . 1 1 71 71 LYS CA C 71 56.612 56.612 55.849 0.763 18842 9402 1 15 . 1 1 71 71 LYS H H 71 7.750 7.750 8.360 -0.610 18842 9403 1 15 . 1 1 72 72 ARG N N 72 122.064 122.064 117.354 4.710 18842 9404 1 15 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.506 0.095 18842 9405 1 15 . 1 1 72 72 ARG C C 72 175.228 175.228 174.245 0.983 18842 9406 1 15 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.392 -0.463 18842 9407 1 15 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.211 0.115 18842 9408 1 15 . 1 1 72 72 ARG H H 72 8.420 8.420 8.452 -0.032 18842 9409 1 15 . 1 1 73 73 LYS N N 73 121.217 121.217 118.952 2.265 18842 9410 1 15 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.856 0.077 18842 9411 1 15 . 1 1 73 73 LYS C C 73 177.010 177.010 176.447 0.563 18842 9412 1 15 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.173 0.032 18842 9413 1 15 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.773 0.907 18842 9414 1 15 . 1 1 73 73 LYS H H 73 8.401 8.401 8.454 -0.053 18842 9415 1 15 . 1 1 74 74 ASP N N 74 122.025 122.025 119.920 2.105 18842 9416 1 15 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.811 -0.101 18842 9417 1 15 . 1 1 74 74 ASP C C 74 177.475 177.475 175.512 1.963 18842 9418 1 15 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.839 -1.083 18842 9419 1 15 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.026 -0.004 18842 9420 1 15 . 1 1 74 74 ASP H H 74 8.582 8.582 8.555 0.027 18842 9421 1 15 . 1 1 75 75 ASN N N 75 116.228 116.228 114.297 1.931 18842 9422 1 15 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.403 0.133 18842 9423 1 15 . 1 1 75 75 ASN C C 75 175.999 175.999 175.042 0.957 18842 9424 1 15 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.923 -0.070 18842 9425 1 15 . 1 1 75 75 ASN CB C 75 38.132 38.132 36.446 1.686 18842 9426 1 15 . 1 1 75 75 ASN H H 75 8.433 8.433 8.808 -0.375 18842 9427 1 15 . 1 1 76 76 GLU N N 76 118.958 118.958 118.527 0.431 18842 9428 1 15 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.538 -0.157 18842 9429 1 15 . 1 1 76 76 GLU C C 76 176.556 176.556 176.976 -0.420 18842 9430 1 15 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.379 -0.216 18842 9431 1 15 . 1 1 76 76 GLU H H 76 8.162 8.162 8.354 -0.192 18842 9432 1 15 . 1 1 77 77 GLY N N 77 108.062 108.062 108.205 -0.143 18842 9433 1 15 . 1 1 77 77 GLY C C 77 174.247 174.247 172.972 1.275 18842 9434 1 15 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.618 0.592 18842 9435 1 15 . 1 1 77 77 GLY H H 77 8.106 8.106 8.015 0.091 18842 9436 1 15 . 1 1 78 78 ASN N N 78 119.929 119.929 118.556 1.373 18842 9437 1 15 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.948 -0.202 18842 9438 1 15 . 1 1 78 78 ASN C C 78 175.035 175.035 174.035 1.000 18842 9439 1 15 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.412 0.383 18842 9440 1 15 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.539 -1.594 18842 9441 1 15 . 1 1 78 78 ASN H H 78 8.569 8.569 8.056 0.513 18842 9442 1 15 . 1 1 79 79 GLU N N 79 121.658 121.658 123.482 -1.824 18842 9443 1 15 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.323 0.158 18842 9444 1 15 . 1 1 79 79 GLU C C 79 176.302 176.302 175.680 0.622 18842 9445 1 15 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.934 -0.272 18842 9446 1 15 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.197 1.446 18842 9447 1 15 . 1 1 79 79 GLU H H 79 8.691 8.691 8.591 0.100 18842 9448 1 15 . 1 1 80 80 VAL N N 80 123.997 123.997 118.101 5.896 18842 9449 1 15 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.479 -0.224 18842 9450 1 15 . 1 1 80 80 VAL C C 80 175.544 175.544 174.071 1.473 18842 9451 1 15 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.998 1.294 18842 9452 1 15 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.207 -1.664 18842 9453 1 15 . 1 1 80 80 VAL H H 80 8.581 8.581 8.451 0.130 18842 9454 1 15 . 1 1 81 81 VAL N N 81 126.545 126.545 119.981 6.564 18842 9455 1 15 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.448 -0.022 18842 9456 1 15 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.122 0.429 18842 9457 1 15 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.627 1.267 18842 9458 1 15 . 1 1 81 81 VAL H H 81 8.407 8.407 8.385 0.022 18842 9459 1 15 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.338 0.094 18842 9460 1 15 . 1 1 82 82 PRO C C 82 176.036 176.036 176.643 -0.607 18842 9461 1 15 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.924 -0.359 18842 9462 1 15 . 1 1 83 83 LYS N N 83 121.727 121.727 123.441 -1.714 18842 9463 1 15 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.354 0.197 18842 9464 1 15 . 1 1 83 83 LYS CA C 83 53.779 53.779 54.986 -1.207 18842 9465 1 15 . 1 1 83 83 LYS H H 83 8.316 8.316 8.368 -0.052 18842 9466 1 15 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.430 -0.137 18842 9467 1 15 . 1 1 84 84 PRO C C 84 176.883 176.883 176.315 0.568 18842 9468 1 15 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.279 0.197 18842 9469 1 15 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.583 -0.142 18842 9470 1 15 . 1 1 85 85 GLN N N 85 121.423 121.423 118.974 2.449 18842 9471 1 15 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.208 -0.063 18842 9472 1 15 . 1 1 85 85 GLN C C 85 175.026 175.026 174.971 0.055 18842 9473 1 15 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.018 0.023 18842 9474 1 15 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.768 1.041 18842 9475 1 15 . 1 1 85 85 GLN H H 85 8.471 8.471 8.486 -0.015 18842 9476 1 15 . 1 1 86 86 ARG N N 86 120.972 120.972 124.806 -3.834 18842 9477 1 15 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.760 0.427 18842 9478 1 15 . 1 1 86 86 ARG C C 86 175.091 175.091 175.611 -0.520 18842 9479 1 15 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.514 -0.122 18842 9480 1 15 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.243 2.185 18842 9481 1 15 . 1 1 86 86 ARG H H 86 8.265 8.265 8.428 -0.163 18842 9482 1 15 . 1 1 87 87 HIS N N 87 120.390 120.390 124.562 -4.172 18842 9483 1 15 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.665 0.080 18842 9484 1 15 . 1 1 87 87 HIS C C 87 173.730 173.730 173.702 0.028 18842 9485 1 15 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.510 -0.303 18842 9486 1 15 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.422 3.175 18842 9487 1 15 . 1 1 87 87 HIS H H 87 8.590 8.590 9.021 -0.431 18842 9488 1 15 . 1 1 88 88 MET N N 88 126.611 126.611 124.799 1.812 18842 9489 1 15 . 1 1 88 88 MET HA H 88 5.320 5.320 4.360 0.960 18842 9490 1 15 . 1 1 88 88 MET C C 88 173.520 173.520 173.896 -0.376 18842 9491 1 15 . 1 1 88 88 MET CA C 88 54.782 54.782 55.290 -0.508 18842 9492 1 15 . 1 1 88 88 MET CB C 88 35.451 35.451 32.958 2.493 18842 9493 1 15 . 1 1 88 88 MET H H 88 8.716 8.716 8.679 0.037 18842 9494 1 15 . 1 1 89 89 PHE N N 89 122.328 122.328 126.261 -3.933 18842 9495 1 15 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.613 -0.403 18842 9496 1 15 . 1 1 89 89 PHE C C 89 174.448 174.448 175.521 -1.073 18842 9497 1 15 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.549 0.903 18842 9498 1 15 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.356 2.732 18842 9499 1 15 . 1 1 89 89 PHE H H 89 8.989 8.989 9.125 -0.136 18842 9500 1 15 . 1 1 90 90 SER N N 90 116.094 116.094 119.148 -3.054 18842 9501 1 15 . 1 1 90 90 SER HA H 90 5.681 5.681 4.900 0.781 18842 9502 1 15 . 1 1 90 90 SER C C 90 173.094 173.094 173.392 -0.298 18842 9503 1 15 . 1 1 90 90 SER CA C 90 56.645 56.645 57.681 -1.036 18842 9504 1 15 . 1 1 90 90 SER CB C 90 64.824 64.824 64.383 0.441 18842 9505 1 15 . 1 1 90 90 SER H H 90 8.680 8.680 8.621 0.059 18842 9506 1 15 . 1 1 91 91 PHE N N 91 120.812 120.812 123.429 -2.617 18842 9507 1 15 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.737 0.157 18842 9508 1 15 . 1 1 91 91 PHE C C 91 174.500 174.500 175.403 -0.903 18842 9509 1 15 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.628 -0.226 18842 9510 1 15 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.845 2.482 18842 9511 1 15 . 1 1 91 91 PHE H H 91 9.050 9.050 8.418 0.632 18842 9512 1 15 . 1 1 92 92 ASN N N 92 115.876 115.876 119.407 -3.531 18842 9513 1 15 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.737 0.365 18842 9514 1 15 . 1 1 92 92 ASN C C 92 174.901 174.901 174.290 0.611 18842 9515 1 15 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.695 -1.488 18842 9516 1 15 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.269 -0.405 18842 9517 1 15 . 1 1 92 92 ASN H H 92 9.135 9.135 8.780 0.355 18842 9518 1 15 . 1 1 93 93 ASN N N 93 118.335 118.335 117.444 0.891 18842 9519 1 15 . 1 1 93 93 ASN HA H 93 4.901 4.901 5.021 -0.120 18842 9520 1 15 . 1 1 93 93 ASN C C 93 174.579 174.579 175.536 -0.957 18842 9521 1 15 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.550 0.478 18842 9522 1 15 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.415 0.387 18842 9523 1 15 . 1 1 93 93 ASN H H 93 7.271 7.271 8.301 -1.030 18842 9524 1 15 . 1 1 94 94 ARG N N 94 129.027 129.027 120.998 8.029 18842 9525 1 15 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.348 -0.483 18842 9526 1 15 . 1 1 94 94 ARG C C 94 176.782 176.782 177.948 -1.166 18842 9527 1 15 . 1 1 94 94 ARG CA C 94 59.051 59.051 59.017 0.034 18842 9528 1 15 . 1 1 94 94 ARG H H 94 9.334 9.334 8.760 0.574 18842 9529 1 15 . 1 1 95 95 THR N N 95 115.756 115.756 116.293 -0.537 18842 9530 1 15 . 1 1 95 95 THR HA H 95 4.028 4.028 4.164 -0.136 18842 9531 1 15 . 1 1 95 95 THR C C 95 176.742 176.742 176.379 0.363 18842 9532 1 15 . 1 1 95 95 THR CA C 95 66.325 66.325 66.891 -0.566 18842 9533 1 15 . 1 1 95 95 THR CB C 95 68.281 68.281 68.419 -0.138 18842 9534 1 15 . 1 1 95 95 THR H H 95 8.000 8.000 8.253 -0.253 18842 9535 1 15 . 1 1 96 96 VAL N N 96 121.852 121.852 121.105 0.747 18842 9536 1 15 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.906 -0.110 18842 9537 1 15 . 1 1 96 96 VAL C C 96 177.587 177.587 177.315 0.272 18842 9538 1 15 . 1 1 96 96 VAL CA C 96 65.958 65.958 65.483 0.475 18842 9539 1 15 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.302 0.726 18842 9540 1 15 . 1 1 96 96 VAL H H 96 7.609 7.609 8.299 -0.690 18842 9541 1 15 . 1 1 97 97 MET N N 97 117.469 117.469 119.820 -2.351 18842 9542 1 15 . 1 1 97 97 MET HA H 97 2.337 2.337 4.144 -1.807 18842 9543 1 15 . 1 1 97 97 MET C C 97 177.257 177.257 177.711 -0.454 18842 9544 1 15 . 1 1 97 97 MET H H 97 7.337 7.337 7.697 -0.360 18842 9545 1 15 . 1 1 98 98 ASP N N 98 118.162 118.162 120.107 -1.945 18842 9546 1 15 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.363 -0.047 18842 9547 1 15 . 1 1 98 98 ASP C C 98 178.771 178.771 178.847 -0.076 18842 9548 1 15 . 1 1 98 98 ASP CA C 98 57.554 57.554 58.063 -0.509 18842 9549 1 15 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.481 -0.702 18842 9550 1 15 . 1 1 98 98 ASP H H 98 8.729 8.729 8.245 0.484 18842 9551 1 15 . 1 1 99 99 ASN N N 99 120.303 120.303 118.403 1.900 18842 9552 1 15 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.622 -0.153 18842 9553 1 15 . 1 1 99 99 ASN C C 99 178.220 178.220 177.359 0.861 18842 9554 1 15 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.599 0.495 18842 9555 1 15 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.486 -0.114 18842 9556 1 15 . 1 1 99 99 ASN H H 99 8.104 8.104 7.717 0.387 18842 9557 1 15 . 1 1 100 100 ILE N N 100 121.160 121.160 121.391 -0.231 18842 9558 1 15 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.764 -0.118 18842 9559 1 15 . 1 1 100 100 ILE C C 100 177.361 177.361 177.818 -0.457 18842 9560 1 15 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.659 -1.913 18842 9561 1 15 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.059 -1.357 18842 9562 1 15 . 1 1 100 100 ILE H H 100 8.020 8.020 8.499 -0.479 18842 9563 1 15 . 1 1 101 101 LYS N N 101 120.747 120.747 119.671 1.076 18842 9564 1 15 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.887 -0.203 18842 9565 1 15 . 1 1 101 101 LYS C C 101 177.127 177.127 179.068 -1.941 18842 9566 1 15 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.192 -0.032 18842 9567 1 15 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.336 0.661 18842 9568 1 15 . 1 1 101 101 LYS H H 101 8.907 8.907 8.232 0.675 18842 9569 1 15 . 1 1 102 102 MET N N 102 116.126 116.126 116.005 0.121 18842 9570 1 15 . 1 1 102 102 MET HA H 102 4.245 4.245 4.492 -0.247 18842 9571 1 15 . 1 1 102 102 MET C C 102 178.941 178.941 178.343 0.598 18842 9572 1 15 . 1 1 102 102 MET CA C 102 58.367 58.367 58.178 0.189 18842 9573 1 15 . 1 1 102 102 MET CB C 102 32.055 32.055 32.964 -0.909 18842 9574 1 15 . 1 1 102 102 MET H H 102 8.002 8.002 7.658 0.344 18842 9575 1 15 . 1 1 103 103 THR N N 103 117.988 117.988 116.607 1.381 18842 9576 1 15 . 1 1 103 103 THR HA H 103 3.861 3.861 4.215 -0.354 18842 9577 1 15 . 1 1 103 103 THR C C 103 176.493 176.493 176.180 0.313 18842 9578 1 15 . 1 1 103 103 THR CA C 103 66.168 66.168 66.615 -0.448 18842 9579 1 15 . 1 1 103 103 THR CB C 103 67.923 67.923 69.401 -1.478 18842 9580 1 15 . 1 1 103 103 THR H H 103 7.694 7.694 8.212 -0.518 18842 9581 1 15 . 1 1 104 104 LEU N N 104 119.248 119.248 121.728 -2.480 18842 9582 1 15 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.044 -0.164 18842 9583 1 15 . 1 1 104 104 LEU C C 104 178.072 178.072 178.384 -0.312 18842 9584 1 15 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.512 -0.466 18842 9585 1 15 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.638 1.256 18842 9586 1 15 . 1 1 104 104 LEU H H 104 8.530 8.530 8.760 -0.230 18842 9587 1 15 . 1 1 105 105 GLN N N 105 119.071 119.071 117.316 1.755 18842 9588 1 15 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.885 0.083 18842 9589 1 15 . 1 1 105 105 GLN C C 105 178.675 178.675 178.248 0.427 18842 9590 1 15 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.894 0.179 18842 9591 1 15 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.823 0.145 18842 9592 1 15 . 1 1 105 105 GLN H H 105 8.623 8.623 7.755 0.868 18842 9593 1 15 . 1 1 106 106 GLN N N 106 117.946 117.946 118.602 -0.656 18842 9594 1 15 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.124 -0.085 18842 9595 1 15 . 1 1 106 106 GLN C C 106 178.677 178.677 178.152 0.525 18842 9596 1 15 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.208 0.507 18842 9597 1 15 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.142 0.323 18842 9598 1 15 . 1 1 106 106 GLN H H 106 7.581 7.581 7.964 -0.383 18842 9599 1 15 . 1 1 107 107 ILE N N 107 120.013 120.013 118.788 1.225 18842 9600 1 15 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.688 -0.223 18842 9601 1 15 . 1 1 107 107 ILE C C 107 177.586 177.586 177.403 0.183 18842 9602 1 15 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.247 1.235 18842 9603 1 15 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.151 0.988 18842 9604 1 15 . 1 1 107 107 ILE H H 107 7.801 7.801 7.942 -0.141 18842 9605 1 15 . 1 1 108 108 ILE N N 108 117.686 117.686 120.926 -3.240 18842 9606 1 15 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.844 -0.060 18842 9607 1 15 . 1 1 108 108 ILE C C 108 179.171 179.171 178.528 0.643 18842 9608 1 15 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.076 2.527 18842 9609 1 15 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.727 1.514 18842 9610 1 15 . 1 1 108 108 ILE H H 108 8.734 8.734 7.875 0.859 18842 9611 1 15 . 1 1 109 109 SER N N 109 114.198 114.198 115.215 -1.017 18842 9612 1 15 . 1 1 109 109 SER HA H 109 4.214 4.214 4.006 0.208 18842 9613 1 15 . 1 1 109 109 SER C C 109 176.381 176.381 176.104 0.277 18842 9614 1 15 . 1 1 109 109 SER CA C 109 61.564 61.564 61.540 0.024 18842 9615 1 15 . 1 1 109 109 SER CB C 109 62.831 62.831 62.669 0.162 18842 9616 1 15 . 1 1 109 109 SER H H 109 7.881 7.881 8.462 -0.581 18842 9617 1 15 . 1 1 110 110 ARG N N 110 121.010 121.010 120.517 0.493 18842 9618 1 15 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.896 0.241 18842 9619 1 15 . 1 1 110 110 ARG C C 110 178.636 178.636 178.213 0.423 18842 9620 1 15 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.640 -0.264 18842 9621 1 15 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.814 0.035 18842 9622 1 15 . 1 1 110 110 ARG H H 110 7.550 7.550 7.258 0.292 18842 9623 1 15 . 1 1 111 111 TYR N N 111 117.243 117.243 115.460 1.783 18842 9624 1 15 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.534 0.261 18842 9625 1 15 . 1 1 111 111 TYR C C 111 176.218 176.218 177.641 -1.423 18842 9626 1 15 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.084 -1.510 18842 9627 1 15 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.818 -0.326 18842 9628 1 15 . 1 1 111 111 TYR H H 111 7.496 7.496 7.730 -0.234 18842 9629 1 15 . 1 1 112 112 LYS N N 112 121.040 121.040 120.869 0.171 18842 9630 1 15 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.152 0.182 18842 9631 1 15 . 1 1 112 112 LYS C C 112 177.437 177.437 178.365 -0.928 18842 9632 1 15 . 1 1 112 112 LYS CA C 112 57.630 57.630 58.203 -0.573 18842 9633 1 15 . 1 1 112 112 LYS CB C 112 32.590 32.590 31.627 0.963 18842 9634 1 15 . 1 1 112 112 LYS H H 112 7.755 7.755 7.319 0.436 18842 9635 1 15 . 1 1 113 113 ASP N N 113 120.593 120.593 119.250 1.343 18842 9636 1 15 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.479 0.158 18842 9637 1 15 . 1 1 113 113 ASP C C 113 176.587 176.587 177.694 -1.107 18842 9638 1 15 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.508 0.585 18842 9639 1 15 . 1 1 113 113 ASP H H 113 8.246 8.246 8.134 0.112 18842 9640 1 15 . 1 1 114 114 ALA N N 114 123.721 123.721 121.693 2.028 18842 9641 1 15 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.230 0.119 18842 9642 1 15 . 1 1 114 114 ALA C C 114 178.004 178.004 178.401 -0.397 18842 9643 1 15 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.112 -0.226 18842 9644 1 15 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.196 0.069 18842 9645 1 15 . 1 1 114 114 ALA H H 114 8.038 8.038 7.725 0.313 18842 9646 1 16 . 1 1 2 2 SER N N 2 113.417 113.417 114.965 -1.548 18842 9647 1 16 . 1 1 2 2 SER HA H 2 4.355 4.355 5.040 -0.685 18842 9648 1 16 . 1 1 2 2 SER CA C 2 58.647 58.647 58.803 -0.156 18842 9649 1 16 . 1 1 2 2 SER CB C 2 63.504 63.504 63.952 -0.448 18842 9650 1 16 . 1 1 2 2 SER H H 2 8.096 8.096 8.214 -0.118 18842 9651 1 16 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.774 -0.097 18842 9652 1 16 . 1 1 3 3 HIS C C 3 173.601 173.601 173.617 -0.016 18842 9653 1 16 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.481 0.748 18842 9654 1 16 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.171 2.152 18842 9655 1 16 . 1 1 4 4 SER N N 4 113.555 113.555 112.608 0.947 18842 9656 1 16 . 1 1 4 4 SER HA H 4 5.483 5.483 5.004 0.479 18842 9657 1 16 . 1 1 4 4 SER C C 4 173.624 173.624 172.369 1.255 18842 9658 1 16 . 1 1 4 4 SER CA C 4 56.904 56.904 58.067 -1.163 18842 9659 1 16 . 1 1 4 4 SER CB C 4 65.900 65.900 64.999 0.901 18842 9660 1 16 . 1 1 4 4 SER H H 4 7.865 7.865 7.745 0.120 18842 9661 1 16 . 1 1 5 5 GLY N N 5 107.050 107.050 107.168 -0.118 18842 9662 1 16 . 1 1 5 5 GLY C C 5 170.915 170.915 171.960 -1.045 18842 9663 1 16 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.562 0.855 18842 9664 1 16 . 1 1 5 5 GLY H H 5 8.370 8.370 8.846 -0.476 18842 9665 1 16 . 1 1 6 6 ALA N N 6 125.347 125.347 123.128 2.219 18842 9666 1 16 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.693 0.260 18842 9667 1 16 . 1 1 6 6 ALA C C 6 176.816 176.816 176.369 0.447 18842 9668 1 16 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.356 0.249 18842 9669 1 16 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.100 0.273 18842 9670 1 16 . 1 1 6 6 ALA H H 6 8.671 8.671 8.512 0.159 18842 9671 1 16 . 1 1 7 7 ALA N N 7 120.077 120.077 126.112 -6.035 18842 9672 1 16 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.290 0.372 18842 9673 1 16 . 1 1 7 7 ALA C C 7 176.697 176.697 175.849 0.848 18842 9674 1 16 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.640 2.028 18842 9675 1 16 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.715 2.333 18842 9676 1 16 . 1 1 7 7 ALA H H 7 8.391 8.391 7.982 0.409 18842 9677 1 16 . 1 1 8 8 ILE N N 8 125.517 125.517 119.045 6.472 18842 9678 1 16 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.032 -0.045 18842 9679 1 16 . 1 1 8 8 ILE C C 8 175.327 175.327 174.870 0.457 18842 9680 1 16 . 1 1 8 8 ILE CA C 8 59.844 59.844 58.002 1.841 18842 9681 1 16 . 1 1 8 8 ILE CB C 8 39.589 39.589 39.022 0.567 18842 9682 1 16 . 1 1 8 8 ILE H H 8 9.383 9.383 8.487 0.896 18842 9683 1 16 . 1 1 9 9 PHE N N 9 128.853 128.853 125.474 3.379 18842 9684 1 16 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.570 -0.253 18842 9685 1 16 . 1 1 9 9 PHE C C 9 173.920 173.920 174.819 -0.899 18842 9686 1 16 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.982 0.136 18842 9687 1 16 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.436 -1.611 18842 9688 1 16 . 1 1 9 9 PHE H H 9 8.467 8.467 9.141 -0.674 18842 9689 1 16 . 1 1 10 10 GLU N N 10 126.396 126.396 127.695 -1.299 18842 9690 1 16 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.618 -0.416 18842 9691 1 16 . 1 1 10 10 GLU C C 10 175.226 175.226 175.310 -0.084 18842 9692 1 16 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.422 -0.742 18842 9693 1 16 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.798 -1.103 18842 9694 1 16 . 1 1 10 10 GLU H H 10 8.769 8.769 9.175 -0.406 18842 9695 1 16 . 1 1 11 11 LYS N N 11 105.585 105.585 111.128 -5.543 18842 9696 1 16 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.908 -0.506 18842 9697 1 16 . 1 1 11 11 LYS C C 11 175.596 175.596 175.086 0.510 18842 9698 1 16 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.696 0.752 18842 9699 1 16 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.169 -1.035 18842 9700 1 16 . 1 1 11 11 LYS H H 11 7.931 7.931 8.248 -0.317 18842 9701 1 16 . 1 1 12 12 VAL N N 12 123.819 123.819 121.827 1.992 18842 9702 1 16 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.354 0.063 18842 9703 1 16 . 1 1 12 12 VAL C C 12 175.188 175.188 174.805 0.383 18842 9704 1 16 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.479 1.206 18842 9705 1 16 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.243 -0.064 18842 9706 1 16 . 1 1 12 12 VAL H H 12 7.954 7.954 7.292 0.662 18842 9707 1 16 . 1 1 13 13 SER N N 13 121.981 121.981 122.776 -0.795 18842 9708 1 16 . 1 1 13 13 SER HA H 13 4.624 4.624 4.633 -0.010 18842 9709 1 16 . 1 1 13 13 SER C C 13 175.408 175.408 174.513 0.895 18842 9710 1 16 . 1 1 13 13 SER CA C 13 59.766 59.766 58.850 0.916 18842 9711 1 16 . 1 1 13 13 SER CB C 13 63.591 63.591 64.349 -0.758 18842 9712 1 16 . 1 1 13 13 SER H H 13 8.895 8.895 8.701 0.194 18842 9713 1 16 . 1 1 14 14 GLY N N 14 113.215 113.215 107.445 5.770 18842 9714 1 16 . 1 1 14 14 GLY C C 14 172.790 172.790 172.258 0.532 18842 9715 1 16 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.556 0.981 18842 9716 1 16 . 1 1 14 14 GLY H H 14 8.287 8.287 8.152 0.135 18842 9717 1 16 . 1 1 15 15 ILE N N 15 123.244 123.244 119.788 3.456 18842 9718 1 16 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.438 0.382 18842 9719 1 16 . 1 1 15 15 ILE C C 15 175.417 175.417 174.143 1.274 18842 9720 1 16 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.389 -0.086 18842 9721 1 16 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.163 1.633 18842 9722 1 16 . 1 1 15 15 ILE H H 15 8.330 8.330 7.942 0.388 18842 9723 1 16 . 1 1 16 16 ILE N N 16 127.640 127.640 128.835 -1.195 18842 9724 1 16 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.312 0.655 18842 9725 1 16 . 1 1 16 16 ILE C C 16 173.248 173.248 173.760 -0.512 18842 9726 1 16 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.125 -0.313 18842 9727 1 16 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.137 2.586 18842 9728 1 16 . 1 1 16 16 ILE H H 16 9.438 9.438 9.290 0.148 18842 9729 1 16 . 1 1 17 17 ALA N N 17 127.760 127.760 130.835 -3.075 18842 9730 1 16 . 1 1 17 17 ALA HA H 17 5.105 5.105 5.004 0.101 18842 9731 1 16 . 1 1 17 17 ALA C C 17 177.510 177.510 175.558 1.952 18842 9732 1 16 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.289 1.156 18842 9733 1 16 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.737 -0.576 18842 9734 1 16 . 1 1 17 17 ALA H H 17 8.968 8.968 8.543 0.425 18842 9735 1 16 . 1 1 18 18 ILE N N 18 122.269 122.269 122.406 -0.137 18842 9736 1 16 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.469 0.122 18842 9737 1 16 . 1 1 18 18 ILE C C 18 174.334 174.334 175.898 -1.564 18842 9738 1 16 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.556 0.100 18842 9739 1 16 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.594 0.470 18842 9740 1 16 . 1 1 18 18 ILE H H 18 8.665 8.665 8.597 0.068 18842 9741 1 16 . 1 1 19 19 ASN N N 19 127.568 127.568 127.192 0.376 18842 9742 1 16 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.801 0.279 18842 9743 1 16 . 1 1 19 19 ASN C C 19 174.784 174.784 175.232 -0.448 18842 9744 1 16 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.990 -1.352 18842 9745 1 16 . 1 1 19 19 ASN CB C 19 39.591 39.591 39.019 0.572 18842 9746 1 16 . 1 1 19 19 ASN H H 19 9.378 9.378 9.215 0.163 18842 9747 1 16 . 1 1 20 20 GLU N N 20 121.587 121.587 123.943 -2.356 18842 9748 1 16 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.385 0.318 18842 9749 1 16 . 1 1 20 20 GLU C C 20 176.152 176.152 175.711 0.441 18842 9750 1 16 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.103 -1.212 18842 9751 1 16 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.829 1.038 18842 9752 1 16 . 1 1 20 20 GLU H H 20 9.046 9.046 7.984 1.062 18842 9753 1 16 . 1 1 21 21 ASP N N 21 121.077 121.077 117.442 3.635 18842 9754 1 16 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.788 -0.169 18842 9755 1 16 . 1 1 21 21 ASP C C 21 175.688 175.688 176.618 -0.930 18842 9756 1 16 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.090 1.422 18842 9757 1 16 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.576 -1.100 18842 9758 1 16 . 1 1 21 21 ASP H H 21 8.724 8.724 8.242 0.482 18842 9759 1 16 . 1 1 22 22 VAL N N 22 113.035 113.035 117.040 -4.005 18842 9760 1 16 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.425 -0.107 18842 9761 1 16 . 1 1 22 22 VAL C C 22 173.445 173.445 176.251 -2.806 18842 9762 1 16 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.716 -0.667 18842 9763 1 16 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.233 0.788 18842 9764 1 16 . 1 1 22 22 VAL H H 22 6.844 6.844 7.277 -0.433 18842 9765 1 16 . 1 1 23 23 SER N N 23 114.945 114.945 114.514 0.431 18842 9766 1 16 . 1 1 23 23 SER HA H 23 4.735 4.735 4.458 0.277 18842 9767 1 16 . 1 1 23 23 SER CA C 23 53.765 53.765 60.096 -6.330 18842 9768 1 16 . 1 1 23 23 SER CB C 23 64.743 64.743 61.440 3.303 18842 9769 1 16 . 1 1 23 23 SER H H 23 8.046 8.046 8.540 -0.494 18842 9770 1 16 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.648 0.120 18842 9771 1 16 . 1 1 24 24 PRO C C 24 174.807 174.807 175.816 -1.009 18842 9772 1 16 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.071 0.689 18842 9773 1 16 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.878 2.864 18842 9774 1 16 . 1 1 25 25 ALA N N 25 120.415 120.415 128.935 -8.520 18842 9775 1 16 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.384 0.131 18842 9776 1 16 . 1 1 25 25 ALA C C 25 175.790 175.790 176.994 -1.204 18842 9777 1 16 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.815 -0.282 18842 9778 1 16 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.231 1.351 18842 9779 1 16 . 1 1 25 25 ALA H H 25 7.979 7.979 8.555 -0.576 18842 9780 1 16 . 1 1 26 26 GLU N N 26 115.395 115.395 123.037 -7.642 18842 9781 1 16 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.182 -0.143 18842 9782 1 16 . 1 1 26 26 GLU C C 26 174.619 174.619 175.109 -0.490 18842 9783 1 16 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.044 -0.015 18842 9784 1 16 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.521 1.095 18842 9785 1 16 . 1 1 26 26 GLU H H 26 7.851 7.851 8.107 -0.256 18842 9786 1 16 . 1 1 27 27 LEU N N 27 124.661 124.661 123.350 1.311 18842 9787 1 16 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.939 0.087 18842 9788 1 16 . 1 1 27 27 LEU C C 27 174.740 174.740 175.219 -0.479 18842 9789 1 16 . 1 1 27 27 LEU CA C 27 53.781 53.781 53.912 -0.131 18842 9790 1 16 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.583 1.026 18842 9791 1 16 . 1 1 27 27 LEU H H 27 8.898 8.898 9.359 -0.461 18842 9792 1 16 . 1 1 28 28 THR N N 28 121.731 121.731 124.806 -3.075 18842 9793 1 16 . 1 1 28 28 THR HA H 28 5.207 5.207 5.083 0.124 18842 9794 1 16 . 1 1 28 28 THR C C 28 172.661 172.661 173.729 -1.068 18842 9795 1 16 . 1 1 28 28 THR CA C 28 61.178 61.178 62.653 -1.475 18842 9796 1 16 . 1 1 28 28 THR CB C 28 71.422 71.422 69.202 2.220 18842 9797 1 16 . 1 1 28 28 THR H H 28 9.283 9.283 9.281 0.002 18842 9798 1 16 . 1 1 29 29 TRP N N 29 128.950 128.950 131.521 -2.571 18842 9799 1 16 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.130 0.301 18842 9800 1 16 . 1 1 29 29 TRP C C 29 173.939 173.939 174.529 -0.590 18842 9801 1 16 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.035 -0.253 18842 9802 1 16 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.501 1.676 18842 9803 1 16 . 1 1 29 29 TRP H H 29 9.399 9.399 9.492 -0.093 18842 9804 1 16 . 1 1 30 30 ARG N N 30 126.402 126.402 130.479 -4.077 18842 9805 1 16 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.336 0.493 18842 9806 1 16 . 1 1 30 30 ARG C C 30 174.751 174.751 175.871 -1.120 18842 9807 1 16 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.345 -0.956 18842 9808 1 16 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.029 1.789 18842 9809 1 16 . 1 1 30 30 ARG H H 30 7.613 7.613 9.177 -1.564 18842 9810 1 16 . 1 1 31 31 SER N N 31 118.353 118.353 120.515 -2.162 18842 9811 1 16 . 1 1 31 31 SER HA H 31 4.138 4.138 3.698 0.440 18842 9812 1 16 . 1 1 31 31 SER C C 31 176.426 176.426 175.290 1.136 18842 9813 1 16 . 1 1 31 31 SER CA C 31 58.013 58.013 58.772 -0.759 18842 9814 1 16 . 1 1 31 31 SER CB C 31 64.081 64.081 63.520 0.561 18842 9815 1 16 . 1 1 31 31 SER H H 31 8.086 8.086 8.203 -0.117 18842 9816 1 16 . 1 1 32 32 THR N N 32 119.213 119.213 117.047 2.166 18842 9817 1 16 . 1 1 32 32 THR HA H 32 3.856 3.856 4.163 -0.307 18842 9818 1 16 . 1 1 32 32 THR C C 32 175.664 175.664 175.454 0.210 18842 9819 1 16 . 1 1 32 32 THR CA C 32 66.142 66.142 64.388 1.754 18842 9820 1 16 . 1 1 32 32 THR CB C 32 68.446 68.446 69.017 -0.571 18842 9821 1 16 . 1 1 32 32 THR H H 32 8.556 8.556 8.338 0.218 18842 9822 1 16 . 1 1 33 33 ASP N N 33 117.260 117.260 120.417 -3.157 18842 9823 1 16 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.629 -0.002 18842 9824 1 16 . 1 1 33 33 ASP C C 33 177.098 177.098 177.072 0.026 18842 9825 1 16 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.876 -0.509 18842 9826 1 16 . 1 1 33 33 ASP H H 33 8.236 8.236 7.901 0.335 18842 9827 1 16 . 1 1 34 34 GLY N N 34 109.136 109.136 107.937 1.199 18842 9828 1 16 . 1 1 34 34 GLY C C 34 173.778 173.778 174.510 -0.732 18842 9829 1 16 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.993 0.406 18842 9830 1 16 . 1 1 34 34 GLY H H 34 7.935 7.935 7.946 -0.011 18842 9831 1 16 . 1 1 35 35 ASP N N 35 117.913 117.913 119.949 -2.036 18842 9832 1 16 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.616 -0.086 18842 9833 1 16 . 1 1 35 35 ASP C C 35 175.403 175.403 175.146 0.257 18842 9834 1 16 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.952 -0.141 18842 9835 1 16 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.737 -0.695 18842 9836 1 16 . 1 1 35 35 ASP H H 35 8.271 8.271 8.009 0.262 18842 9837 1 16 . 1 1 36 36 LYS N N 36 120.335 120.335 118.681 1.654 18842 9838 1 16 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.752 0.155 18842 9839 1 16 . 1 1 36 36 LYS C C 36 174.651 174.651 174.202 0.449 18842 9840 1 16 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.270 0.137 18842 9841 1 16 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.938 -0.104 18842 9842 1 16 . 1 1 36 36 LYS H H 36 7.769 7.769 7.796 -0.027 18842 9843 1 16 . 1 1 37 37 VAL N N 37 121.484 121.484 122.219 -0.735 18842 9844 1 16 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.199 0.116 18842 9845 1 16 . 1 1 37 37 VAL C C 37 175.069 175.069 175.236 -0.167 18842 9846 1 16 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.812 0.286 18842 9847 1 16 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.377 0.681 18842 9848 1 16 . 1 1 37 37 VAL H H 37 8.582 8.582 8.604 -0.022 18842 9849 1 16 . 1 1 38 38 HIS N N 38 125.660 125.660 124.225 1.435 18842 9850 1 16 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.915 0.169 18842 9851 1 16 . 1 1 38 38 HIS C C 38 173.268 173.268 173.207 0.061 18842 9852 1 16 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.094 -0.026 18842 9853 1 16 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.007 0.081 18842 9854 1 16 . 1 1 38 38 HIS H H 38 9.621 9.621 9.006 0.615 18842 9855 1 16 . 1 1 39 39 THR N N 39 124.752 124.752 120.552 4.200 18842 9856 1 16 . 1 1 39 39 THR HA H 39 5.139 5.139 5.193 -0.054 18842 9857 1 16 . 1 1 39 39 THR C C 39 173.208 173.208 173.051 0.157 18842 9858 1 16 . 1 1 39 39 THR CA C 39 61.518 61.518 61.362 0.156 18842 9859 1 16 . 1 1 39 39 THR CB C 39 70.665 70.665 70.941 -0.276 18842 9860 1 16 . 1 1 39 39 THR H H 39 8.527 8.527 7.990 0.537 18842 9861 1 16 . 1 1 40 40 VAL N N 40 126.002 126.002 126.148 -0.146 18842 9862 1 16 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.271 -0.347 18842 9863 1 16 . 1 1 40 40 VAL C C 40 174.731 174.731 174.398 0.333 18842 9864 1 16 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.279 0.070 18842 9865 1 16 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.952 -1.587 18842 9866 1 16 . 1 1 40 40 VAL H H 40 9.388 9.388 9.215 0.173 18842 9867 1 16 . 1 1 41 41 VAL N N 41 129.872 129.872 127.859 2.013 18842 9868 1 16 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.254 -0.270 18842 9869 1 16 . 1 1 41 41 VAL C C 41 179.410 179.410 176.324 3.086 18842 9870 1 16 . 1 1 41 41 VAL CA C 41 63.616 63.616 62.016 1.600 18842 9871 1 16 . 1 1 41 41 VAL CB C 41 30.988 30.988 30.743 0.245 18842 9872 1 16 . 1 1 41 41 VAL H H 41 9.054 9.054 8.872 0.182 18842 9873 1 16 . 1 1 42 42 LEU N N 42 130.076 130.076 128.909 1.167 18842 9874 1 16 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.091 -0.137 18842 9875 1 16 . 1 1 42 42 LEU C C 42 176.121 176.121 178.320 -2.199 18842 9876 1 16 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.377 1.245 18842 9877 1 16 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.468 0.355 18842 9878 1 16 . 1 1 42 42 LEU H H 42 9.193 9.193 8.330 0.863 18842 9879 1 16 . 1 1 43 43 SER N N 43 109.703 109.703 111.741 -2.038 18842 9880 1 16 . 1 1 43 43 SER HA H 43 3.944 3.944 2.169 1.775 18842 9881 1 16 . 1 1 43 43 SER C C 43 175.455 175.455 175.208 0.247 18842 9882 1 16 . 1 1 43 43 SER CA C 43 59.442 59.442 59.830 -0.388 18842 9883 1 16 . 1 1 43 43 SER CB C 43 61.299 61.299 62.839 -1.540 18842 9884 1 16 . 1 1 43 43 SER H H 43 6.961 6.961 8.265 -1.304 18842 9885 1 16 . 1 1 44 44 THR N N 44 110.409 110.409 111.823 -1.414 18842 9886 1 16 . 1 1 44 44 THR HA H 44 4.519 4.519 4.267 0.252 18842 9887 1 16 . 1 1 44 44 THR C C 44 173.493 173.493 174.699 -1.206 18842 9888 1 16 . 1 1 44 44 THR CA C 44 62.076 62.076 62.731 -0.655 18842 9889 1 16 . 1 1 44 44 THR CB C 44 69.788 69.788 70.570 -0.782 18842 9890 1 16 . 1 1 44 44 THR H H 44 7.657 7.657 7.693 -0.036 18842 9891 1 16 . 1 1 45 45 ILE N N 45 120.972 120.972 124.075 -3.103 18842 9892 1 16 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.027 0.298 18842 9893 1 16 . 1 1 45 45 ILE C C 45 173.882 173.882 176.451 -2.569 18842 9894 1 16 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.724 -3.683 18842 9895 1 16 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.148 0.352 18842 9896 1 16 . 1 1 45 45 ILE H H 45 7.089 7.089 7.768 -0.679 18842 9897 1 16 . 1 1 46 46 ASP N N 46 126.759 126.759 128.609 -1.850 18842 9898 1 16 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.389 0.273 18842 9899 1 16 . 1 1 46 46 ASP C C 46 175.424 175.424 176.046 -0.622 18842 9900 1 16 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.215 -1.198 18842 9901 1 16 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.902 2.681 18842 9902 1 16 . 1 1 46 46 ASP H H 46 9.372 9.372 8.544 0.828 18842 9903 1 16 . 1 1 47 47 LYS N N 47 111.663 111.663 114.454 -2.791 18842 9904 1 16 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.568 0.185 18842 9905 1 16 . 1 1 47 47 LYS C C 47 172.574 172.574 174.061 -1.487 18842 9906 1 16 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.025 -0.410 18842 9907 1 16 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.520 0.676 18842 9908 1 16 . 1 1 47 47 LYS H H 47 7.522 7.522 7.495 0.027 18842 9909 1 16 . 1 1 48 48 LEU N N 48 123.295 123.295 120.898 2.397 18842 9910 1 16 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.815 0.328 18842 9911 1 16 . 1 1 48 48 LEU C C 48 174.770 174.770 175.883 -1.113 18842 9912 1 16 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.747 -0.811 18842 9913 1 16 . 1 1 48 48 LEU CB C 48 45.580 45.580 45.093 0.487 18842 9914 1 16 . 1 1 48 48 LEU H H 48 8.938 8.938 8.370 0.568 18842 9915 1 16 . 1 1 49 49 GLN N N 49 120.979 120.979 121.143 -0.164 18842 9916 1 16 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.639 0.873 18842 9917 1 16 . 1 1 49 49 GLN C C 49 174.626 174.626 174.011 0.615 18842 9918 1 16 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.856 -1.225 18842 9919 1 16 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.214 0.875 18842 9920 1 16 . 1 1 49 49 GLN H H 49 9.246 9.246 8.660 0.586 18842 9921 1 16 . 1 1 50 50 ALA N N 50 122.440 122.440 125.185 -2.745 18842 9922 1 16 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.668 1.140 18842 9923 1 16 . 1 1 50 50 ALA C C 50 177.277 177.277 176.279 0.998 18842 9924 1 16 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.154 -0.533 18842 9925 1 16 . 1 1 50 50 ALA CB C 50 24.523 24.523 22.142 2.381 18842 9926 1 16 . 1 1 50 50 ALA H H 50 9.365 9.365 8.362 1.003 18842 9927 1 16 . 1 1 51 51 THR N N 51 114.289 114.289 116.449 -2.160 18842 9928 1 16 . 1 1 51 51 THR HA H 51 4.615 4.615 4.563 0.052 18842 9929 1 16 . 1 1 51 51 THR CA C 51 59.197 59.197 58.864 0.333 18842 9930 1 16 . 1 1 51 51 THR CB C 51 67.937 67.937 68.212 -0.275 18842 9931 1 16 . 1 1 51 51 THR H H 51 8.368 8.368 8.311 0.057 18842 9932 1 16 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.279 0.252 18842 9933 1 16 . 1 1 52 52 PRO C C 52 178.380 178.380 177.955 0.425 18842 9934 1 16 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.818 -0.443 18842 9935 1 16 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.030 0.610 18842 9936 1 16 . 1 1 53 53 ALA N N 53 126.235 126.235 122.805 3.430 18842 9937 1 16 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.107 -0.077 18842 9938 1 16 . 1 1 53 53 ALA C C 53 177.700 177.700 178.323 -0.623 18842 9939 1 16 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.181 0.614 18842 9940 1 16 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.698 -0.679 18842 9941 1 16 . 1 1 53 53 ALA H H 53 9.122 9.122 8.452 0.670 18842 9942 1 16 . 1 1 54 54 SER N N 54 107.216 107.216 110.996 -3.780 18842 9943 1 16 . 1 1 54 54 SER HA H 54 4.238 4.238 4.303 -0.065 18842 9944 1 16 . 1 1 54 54 SER C C 54 174.957 174.957 175.119 -0.162 18842 9945 1 16 . 1 1 54 54 SER CA C 54 58.260 58.260 59.189 -0.929 18842 9946 1 16 . 1 1 54 54 SER CB C 54 63.120 63.120 63.221 -0.101 18842 9947 1 16 . 1 1 54 54 SER H H 54 7.620 7.620 7.958 -0.338 18842 9948 1 16 . 1 1 55 55 SER N N 55 117.523 117.523 117.281 0.242 18842 9949 1 16 . 1 1 55 55 SER HA H 55 4.469 4.469 4.499 -0.030 18842 9950 1 16 . 1 1 55 55 SER C C 55 174.952 174.952 174.543 0.409 18842 9951 1 16 . 1 1 55 55 SER CA C 55 57.500 57.500 57.455 0.045 18842 9952 1 16 . 1 1 55 55 SER CB C 55 63.801 63.801 64.269 -0.468 18842 9953 1 16 . 1 1 55 55 SER H H 55 7.676 7.676 7.665 0.011 18842 9954 1 16 . 1 1 56 56 GLU N N 56 124.557 124.557 126.042 -1.485 18842 9955 1 16 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.104 0.075 18842 9956 1 16 . 1 1 56 56 GLU C C 56 177.924 177.924 176.748 1.176 18842 9957 1 16 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.146 -0.485 18842 9958 1 16 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.943 -0.114 18842 9959 1 16 . 1 1 56 56 GLU H H 56 8.844 8.844 8.801 0.043 18842 9960 1 16 . 1 1 57 57 LYS N N 57 119.220 119.220 118.067 1.153 18842 9961 1 16 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.437 -0.141 18842 9962 1 16 . 1 1 57 57 LYS C C 57 175.667 175.667 175.780 -0.113 18842 9963 1 16 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.734 1.121 18842 9964 1 16 . 1 1 57 57 LYS CB C 57 33.855 33.855 33.662 0.193 18842 9965 1 16 . 1 1 57 57 LYS H H 57 8.259 8.259 7.564 0.695 18842 9966 1 16 . 1 1 58 58 MET N N 58 123.270 123.270 120.083 3.187 18842 9967 1 16 . 1 1 58 58 MET HA H 58 4.288 4.288 4.813 -0.525 18842 9968 1 16 . 1 1 58 58 MET C C 58 174.107 174.107 175.029 -0.922 18842 9969 1 16 . 1 1 58 58 MET CA C 58 55.067 55.067 54.751 0.316 18842 9970 1 16 . 1 1 58 58 MET CB C 58 35.381 35.381 33.781 1.600 18842 9971 1 16 . 1 1 58 58 MET H H 58 8.811 8.811 8.610 0.201 18842 9972 1 16 . 1 1 59 59 MET N N 59 120.490 120.490 121.685 -1.195 18842 9973 1 16 . 1 1 59 59 MET HA H 59 5.873 5.873 5.021 0.852 18842 9974 1 16 . 1 1 59 59 MET C C 59 174.459 174.459 174.208 0.251 18842 9975 1 16 . 1 1 59 59 MET CA C 59 54.903 54.903 55.270 -0.367 18842 9976 1 16 . 1 1 59 59 MET CB C 59 39.231 39.231 36.459 2.772 18842 9977 1 16 . 1 1 59 59 MET H H 59 8.395 8.395 9.397 -1.002 18842 9978 1 16 . 1 1 60 60 LEU N N 60 118.105 118.105 122.752 -4.647 18842 9979 1 16 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.955 0.709 18842 9980 1 16 . 1 1 60 60 LEU C C 60 175.664 175.664 175.731 -0.067 18842 9981 1 16 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.001 -0.873 18842 9982 1 16 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.802 2.633 18842 9983 1 16 . 1 1 60 60 LEU H H 60 9.103 9.103 9.353 -0.250 18842 9984 1 16 . 1 1 61 61 ARG N N 61 120.757 120.757 121.576 -0.819 18842 9985 1 16 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.348 0.110 18842 9986 1 16 . 1 1 61 61 ARG C C 61 173.515 173.515 174.316 -0.801 18842 9987 1 16 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.487 0.237 18842 9988 1 16 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.006 1.126 18842 9989 1 16 . 1 1 61 61 ARG H H 61 9.287 9.287 8.476 0.811 18842 9990 1 16 . 1 1 62 62 LEU N N 62 127.139 127.139 123.245 3.894 18842 9991 1 16 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.821 0.208 18842 9992 1 16 . 1 1 62 62 LEU C C 62 175.440 175.440 175.198 0.242 18842 9993 1 16 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.520 0.880 18842 9994 1 16 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.443 -2.340 18842 9995 1 16 . 1 1 62 62 LEU H H 62 9.307 9.307 8.624 0.683 18842 9996 1 16 . 1 1 63 63 ILE N N 63 123.292 123.292 126.057 -2.765 18842 9997 1 16 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.562 0.026 18842 9998 1 16 . 1 1 63 63 ILE C C 63 176.319 176.319 176.286 0.033 18842 9999 1 16 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.017 0.370 18842 10000 1 16 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.215 -0.095 18842 10001 1 16 . 1 1 63 63 ILE H H 63 8.891 8.891 8.619 0.272 18842 10002 1 16 . 1 1 64 64 GLY N N 64 115.565 115.565 114.690 0.875 18842 10003 1 16 . 1 1 64 64 GLY C C 64 172.551 172.551 172.809 -0.258 18842 10004 1 16 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.549 1.880 18842 10005 1 16 . 1 1 64 64 GLY H H 64 9.356 9.356 8.293 1.063 18842 10006 1 16 . 1 1 65 65 LYS N N 65 119.442 119.442 119.398 0.044 18842 10007 1 16 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.256 0.039 18842 10008 1 16 . 1 1 65 65 LYS C C 65 176.205 176.205 177.128 -0.923 18842 10009 1 16 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.887 -0.299 18842 10010 1 16 . 1 1 65 65 LYS CB C 65 34.353 34.353 33.114 1.240 18842 10011 1 16 . 1 1 65 65 LYS H H 65 8.361 8.361 8.339 0.022 18842 10012 1 16 . 1 1 66 66 VAL N N 66 122.131 122.131 125.165 -3.034 18842 10013 1 16 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.182 -0.096 18842 10014 1 16 . 1 1 66 66 VAL C C 66 175.265 175.265 174.574 0.691 18842 10015 1 16 . 1 1 66 66 VAL CA C 66 62.063 62.063 62.402 -0.339 18842 10016 1 16 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.173 0.091 18842 10017 1 16 . 1 1 66 66 VAL H H 66 8.637 8.637 8.215 0.422 18842 10018 1 16 . 1 1 67 67 ASP N N 67 125.510 125.510 118.378 7.132 18842 10019 1 16 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.679 0.048 18842 10020 1 16 . 1 1 67 67 ASP C C 67 176.708 176.708 175.819 0.889 18842 10021 1 16 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.137 -0.997 18842 10022 1 16 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.865 -0.935 18842 10023 1 16 . 1 1 67 67 ASP H H 67 8.460 8.460 8.007 0.453 18842 10024 1 16 . 1 1 68 68 GLU N N 68 124.449 124.449 122.328 2.121 18842 10025 1 16 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.134 -0.046 18842 10026 1 16 . 1 1 68 68 GLU C C 68 177.451 177.451 177.043 0.408 18842 10027 1 16 . 1 1 68 68 GLU CA C 68 57.855 57.855 57.989 -0.134 18842 10028 1 16 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.766 -0.089 18842 10029 1 16 . 1 1 68 68 GLU H H 68 8.752 8.752 8.607 0.145 18842 10030 1 16 . 1 1 69 69 SER N N 69 115.515 115.515 112.686 2.829 18842 10031 1 16 . 1 1 69 69 SER HA H 69 4.329 4.329 4.555 -0.226 18842 10032 1 16 . 1 1 69 69 SER C C 69 175.277 175.277 174.122 1.155 18842 10033 1 16 . 1 1 69 69 SER CA C 69 60.139 60.139 58.656 1.483 18842 10034 1 16 . 1 1 69 69 SER CB C 69 63.223 63.223 62.866 0.357 18842 10035 1 16 . 1 1 69 69 SER H H 69 8.497 8.497 7.857 0.640 18842 10036 1 16 . 1 1 70 70 LYS N N 70 121.733 121.733 118.969 2.764 18842 10037 1 16 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.433 -0.023 18842 10038 1 16 . 1 1 70 70 LYS C C 70 177.124 177.124 175.873 1.251 18842 10039 1 16 . 1 1 70 70 LYS CA C 70 55.324 55.324 54.948 0.376 18842 10040 1 16 . 1 1 70 70 LYS H H 70 7.689 7.689 7.343 0.346 18842 10041 1 16 . 1 1 71 71 LYS N N 71 121.012 121.012 120.244 0.768 18842 10042 1 16 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.205 0.202 18842 10043 1 16 . 1 1 71 71 LYS C C 71 176.175 176.175 176.922 -0.747 18842 10044 1 16 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.290 -0.678 18842 10045 1 16 . 1 1 71 71 LYS H H 71 7.750 7.750 7.954 -0.204 18842 10046 1 16 . 1 1 72 72 ARG N N 72 122.064 122.064 120.530 1.534 18842 10047 1 16 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.647 -0.046 18842 10048 1 16 . 1 1 72 72 ARG C C 72 175.228 175.228 174.446 0.782 18842 10049 1 16 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.336 -0.407 18842 10050 1 16 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.104 0.221 18842 10051 1 16 . 1 1 72 72 ARG H H 72 8.420 8.420 8.309 0.111 18842 10052 1 16 . 1 1 73 73 LYS N N 73 121.217 121.217 118.272 2.945 18842 10053 1 16 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.900 0.033 18842 10054 1 16 . 1 1 73 73 LYS C C 73 177.010 177.010 176.113 0.897 18842 10055 1 16 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.229 -0.024 18842 10056 1 16 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.850 0.830 18842 10057 1 16 . 1 1 73 73 LYS H H 73 8.401 8.401 8.391 0.010 18842 10058 1 16 . 1 1 74 74 ASP N N 74 122.025 122.025 119.801 2.224 18842 10059 1 16 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.715 -0.005 18842 10060 1 16 . 1 1 74 74 ASP C C 74 177.475 177.475 176.203 1.272 18842 10061 1 16 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.541 -0.784 18842 10062 1 16 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.746 -0.724 18842 10063 1 16 . 1 1 74 74 ASP H H 74 8.582 8.582 8.430 0.152 18842 10064 1 16 . 1 1 75 75 ASN N N 75 116.228 116.228 116.991 -0.763 18842 10065 1 16 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.442 0.094 18842 10066 1 16 . 1 1 75 75 ASN C C 75 175.999 175.999 175.038 0.961 18842 10067 1 16 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.934 -0.081 18842 10068 1 16 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.428 0.704 18842 10069 1 16 . 1 1 75 75 ASN H H 75 8.433 8.433 8.657 -0.224 18842 10070 1 16 . 1 1 76 76 GLU N N 76 118.958 118.958 118.526 0.432 18842 10071 1 16 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.493 -0.112 18842 10072 1 16 . 1 1 76 76 GLU C C 76 176.556 176.556 176.655 -0.099 18842 10073 1 16 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.413 -0.251 18842 10074 1 16 . 1 1 76 76 GLU H H 76 8.162 8.162 8.405 -0.243 18842 10075 1 16 . 1 1 77 77 GLY N N 77 108.062 108.062 108.130 -0.068 18842 10076 1 16 . 1 1 77 77 GLY C C 77 174.247 174.247 172.858 1.389 18842 10077 1 16 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.724 0.486 18842 10078 1 16 . 1 1 77 77 GLY H H 77 8.106 8.106 8.102 0.004 18842 10079 1 16 . 1 1 78 78 ASN N N 78 119.929 119.929 118.030 1.899 18842 10080 1 16 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.840 -0.094 18842 10081 1 16 . 1 1 78 78 ASN C C 78 175.035 175.035 173.934 1.101 18842 10082 1 16 . 1 1 78 78 ASN CA C 78 52.795 52.795 51.902 0.893 18842 10083 1 16 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.253 -1.308 18842 10084 1 16 . 1 1 78 78 ASN H H 78 8.569 8.569 8.212 0.357 18842 10085 1 16 . 1 1 79 79 GLU N N 79 121.658 121.658 126.320 -4.662 18842 10086 1 16 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.182 0.299 18842 10087 1 16 . 1 1 79 79 GLU C C 79 176.302 176.302 176.067 0.235 18842 10088 1 16 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.620 -0.958 18842 10089 1 16 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.461 1.182 18842 10090 1 16 . 1 1 79 79 GLU H H 79 8.691 8.691 8.757 -0.066 18842 10091 1 16 . 1 1 80 80 VAL N N 80 123.997 123.997 121.680 2.317 18842 10092 1 16 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.637 -0.382 18842 10093 1 16 . 1 1 80 80 VAL C C 80 175.544 175.544 174.288 1.256 18842 10094 1 16 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.978 1.315 18842 10095 1 16 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.159 -1.616 18842 10096 1 16 . 1 1 80 80 VAL H H 80 8.581 8.581 9.076 -0.495 18842 10097 1 16 . 1 1 81 81 VAL N N 81 126.545 126.545 118.448 8.097 18842 10098 1 16 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.415 0.011 18842 10099 1 16 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.872 0.679 18842 10100 1 16 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.954 -0.060 18842 10101 1 16 . 1 1 81 81 VAL H H 81 8.407 8.407 8.183 0.224 18842 10102 1 16 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.350 0.082 18842 10103 1 16 . 1 1 82 82 PRO C C 82 176.036 176.036 176.077 -0.041 18842 10104 1 16 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.862 -0.297 18842 10105 1 16 . 1 1 83 83 LYS N N 83 121.727 121.727 123.600 -1.873 18842 10106 1 16 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.165 0.386 18842 10107 1 16 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.156 -1.377 18842 10108 1 16 . 1 1 83 83 LYS H H 83 8.316 8.316 8.329 -0.013 18842 10109 1 16 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.397 -0.104 18842 10110 1 16 . 1 1 84 84 PRO C C 84 176.883 176.883 176.453 0.430 18842 10111 1 16 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.251 0.225 18842 10112 1 16 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.689 -0.248 18842 10113 1 16 . 1 1 85 85 GLN N N 85 121.423 121.423 119.199 2.224 18842 10114 1 16 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.132 0.013 18842 10115 1 16 . 1 1 85 85 GLN C C 85 175.026 175.026 174.946 0.080 18842 10116 1 16 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.397 -0.356 18842 10117 1 16 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.799 1.010 18842 10118 1 16 . 1 1 85 85 GLN H H 85 8.471 8.471 8.480 -0.009 18842 10119 1 16 . 1 1 86 86 ARG N N 86 120.972 120.972 125.014 -4.042 18842 10120 1 16 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.907 0.280 18842 10121 1 16 . 1 1 86 86 ARG C C 86 175.091 175.091 175.646 -0.555 18842 10122 1 16 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.875 -0.483 18842 10123 1 16 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.453 1.975 18842 10124 1 16 . 1 1 86 86 ARG H H 86 8.265 8.265 8.486 -0.221 18842 10125 1 16 . 1 1 87 87 HIS N N 87 120.390 120.390 124.920 -4.530 18842 10126 1 16 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.547 0.198 18842 10127 1 16 . 1 1 87 87 HIS C C 87 173.730 173.730 173.725 0.005 18842 10128 1 16 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.605 -0.398 18842 10129 1 16 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.234 3.363 18842 10130 1 16 . 1 1 87 87 HIS H H 87 8.590 8.590 8.910 -0.320 18842 10131 1 16 . 1 1 88 88 MET N N 88 126.611 126.611 125.361 1.250 18842 10132 1 16 . 1 1 88 88 MET HA H 88 5.320 5.320 4.368 0.952 18842 10133 1 16 . 1 1 88 88 MET C C 88 173.520 173.520 173.834 -0.314 18842 10134 1 16 . 1 1 88 88 MET CA C 88 54.782 54.782 55.334 -0.552 18842 10135 1 16 . 1 1 88 88 MET CB C 88 35.451 35.451 32.943 2.509 18842 10136 1 16 . 1 1 88 88 MET H H 88 8.716 8.716 8.613 0.103 18842 10137 1 16 . 1 1 89 89 PHE N N 89 122.328 122.328 125.445 -3.117 18842 10138 1 16 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.434 -0.224 18842 10139 1 16 . 1 1 89 89 PHE C C 89 174.448 174.448 175.072 -0.624 18842 10140 1 16 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.798 0.654 18842 10141 1 16 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.927 2.161 18842 10142 1 16 . 1 1 89 89 PHE H H 89 8.989 8.989 9.011 -0.022 18842 10143 1 16 . 1 1 90 90 SER N N 90 116.094 116.094 116.991 -0.897 18842 10144 1 16 . 1 1 90 90 SER HA H 90 5.681 5.681 4.949 0.732 18842 10145 1 16 . 1 1 90 90 SER C C 90 173.094 173.094 173.199 -0.105 18842 10146 1 16 . 1 1 90 90 SER CA C 90 56.645 56.645 56.760 -0.115 18842 10147 1 16 . 1 1 90 90 SER CB C 90 64.824 64.824 64.460 0.364 18842 10148 1 16 . 1 1 90 90 SER H H 90 8.680 8.680 8.760 -0.080 18842 10149 1 16 . 1 1 91 91 PHE N N 91 120.812 120.812 125.270 -4.458 18842 10150 1 16 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.851 0.043 18842 10151 1 16 . 1 1 91 91 PHE C C 91 174.500 174.500 175.318 -0.818 18842 10152 1 16 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.838 -0.436 18842 10153 1 16 . 1 1 91 91 PHE CB C 91 43.327 43.327 42.207 1.120 18842 10154 1 16 . 1 1 91 91 PHE H H 91 9.050 9.050 8.310 0.740 18842 10155 1 16 . 1 1 92 92 ASN N N 92 115.876 115.876 118.146 -2.270 18842 10156 1 16 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.782 0.321 18842 10157 1 16 . 1 1 92 92 ASN C C 92 174.901 174.901 174.471 0.430 18842 10158 1 16 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.641 -1.434 18842 10159 1 16 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.181 -0.317 18842 10160 1 16 . 1 1 92 92 ASN H H 92 9.135 9.135 8.743 0.392 18842 10161 1 16 . 1 1 93 93 ASN N N 93 118.335 118.335 117.563 0.772 18842 10162 1 16 . 1 1 93 93 ASN HA H 93 4.901 4.901 5.055 -0.154 18842 10163 1 16 . 1 1 93 93 ASN C C 93 174.579 174.579 175.460 -0.881 18842 10164 1 16 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.102 0.926 18842 10165 1 16 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.734 1.067 18842 10166 1 16 . 1 1 93 93 ASN H H 93 7.271 7.271 8.180 -0.909 18842 10167 1 16 . 1 1 94 94 ARG N N 94 129.027 129.027 121.030 7.997 18842 10168 1 16 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.399 -0.534 18842 10169 1 16 . 1 1 94 94 ARG C C 94 176.782 176.782 177.425 -0.643 18842 10170 1 16 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.827 0.224 18842 10171 1 16 . 1 1 94 94 ARG H H 94 9.334 9.334 8.837 0.497 18842 10172 1 16 . 1 1 95 95 THR N N 95 115.756 115.756 116.013 -0.257 18842 10173 1 16 . 1 1 95 95 THR HA H 95 4.028 4.028 4.099 -0.071 18842 10174 1 16 . 1 1 95 95 THR C C 95 176.742 176.742 176.512 0.230 18842 10175 1 16 . 1 1 95 95 THR CA C 95 66.325 66.325 65.197 1.128 18842 10176 1 16 . 1 1 95 95 THR CB C 95 68.281 68.281 68.494 -0.213 18842 10177 1 16 . 1 1 95 95 THR H H 95 8.000 8.000 8.000 -0.000 18842 10178 1 16 . 1 1 96 96 VAL N N 96 121.852 121.852 121.855 -0.003 18842 10179 1 16 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.822 -0.026 18842 10180 1 16 . 1 1 96 96 VAL C C 96 177.587 177.587 177.311 0.276 18842 10181 1 16 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.499 -0.541 18842 10182 1 16 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.672 0.354 18842 10183 1 16 . 1 1 96 96 VAL H H 96 7.609 7.609 8.292 -0.683 18842 10184 1 16 . 1 1 97 97 MET N N 97 117.469 117.469 116.249 1.220 18842 10185 1 16 . 1 1 97 97 MET HA H 97 2.337 2.337 3.604 -1.267 18842 10186 1 16 . 1 1 97 97 MET C C 97 177.257 177.257 177.746 -0.489 18842 10187 1 16 . 1 1 97 97 MET H H 97 7.337 7.337 7.684 -0.347 18842 10188 1 16 . 1 1 98 98 ASP N N 98 118.162 118.162 120.982 -2.820 18842 10189 1 16 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.273 0.043 18842 10190 1 16 . 1 1 98 98 ASP C C 98 178.771 178.771 178.854 -0.083 18842 10191 1 16 . 1 1 98 98 ASP CA C 98 57.554 57.554 58.352 -0.798 18842 10192 1 16 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.343 -0.564 18842 10193 1 16 . 1 1 98 98 ASP H H 98 8.729 8.729 7.921 0.808 18842 10194 1 16 . 1 1 99 99 ASN N N 99 120.303 120.303 118.198 2.105 18842 10195 1 16 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.428 0.041 18842 10196 1 16 . 1 1 99 99 ASN C C 99 178.220 178.220 177.276 0.944 18842 10197 1 16 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.528 -0.434 18842 10198 1 16 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.841 -0.469 18842 10199 1 16 . 1 1 99 99 ASN H H 99 8.104 8.104 7.763 0.341 18842 10200 1 16 . 1 1 100 100 ILE N N 100 121.160 121.160 120.891 0.269 18842 10201 1 16 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.689 -0.043 18842 10202 1 16 . 1 1 100 100 ILE C C 100 177.361 177.361 177.756 -0.395 18842 10203 1 16 . 1 1 100 100 ILE CA C 100 62.746 62.746 63.967 -1.221 18842 10204 1 16 . 1 1 100 100 ILE CB C 100 35.702 35.702 36.702 -1.000 18842 10205 1 16 . 1 1 100 100 ILE H H 100 8.020 8.020 7.739 0.281 18842 10206 1 16 . 1 1 101 101 LYS N N 101 120.747 120.747 120.434 0.313 18842 10207 1 16 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.806 -0.122 18842 10208 1 16 . 1 1 101 101 LYS C C 101 177.127 177.127 179.194 -2.067 18842 10209 1 16 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.110 0.050 18842 10210 1 16 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.426 0.571 18842 10211 1 16 . 1 1 101 101 LYS H H 101 8.907 8.907 8.209 0.698 18842 10212 1 16 . 1 1 102 102 MET N N 102 116.126 116.126 114.892 1.234 18842 10213 1 16 . 1 1 102 102 MET HA H 102 4.245 4.245 4.457 -0.212 18842 10214 1 16 . 1 1 102 102 MET C C 102 178.941 178.941 178.395 0.546 18842 10215 1 16 . 1 1 102 102 MET CA C 102 58.367 58.367 58.552 -0.185 18842 10216 1 16 . 1 1 102 102 MET CB C 102 32.055 32.055 32.668 -0.613 18842 10217 1 16 . 1 1 102 102 MET H H 102 8.002 8.002 7.710 0.292 18842 10218 1 16 . 1 1 103 103 THR N N 103 117.988 117.988 117.748 0.240 18842 10219 1 16 . 1 1 103 103 THR HA H 103 3.861 3.861 3.893 -0.032 18842 10220 1 16 . 1 1 103 103 THR C C 103 176.493 176.493 176.713 -0.220 18842 10221 1 16 . 1 1 103 103 THR CA C 103 66.168 66.168 65.675 0.493 18842 10222 1 16 . 1 1 103 103 THR CB C 103 67.923 67.923 68.265 -0.342 18842 10223 1 16 . 1 1 103 103 THR H H 103 7.694 7.694 8.398 -0.704 18842 10224 1 16 . 1 1 104 104 LEU N N 104 119.248 119.248 121.015 -1.767 18842 10225 1 16 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.958 -0.078 18842 10226 1 16 . 1 1 104 104 LEU C C 104 178.072 178.072 178.299 -0.227 18842 10227 1 16 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.779 -0.733 18842 10228 1 16 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.320 1.574 18842 10229 1 16 . 1 1 104 104 LEU H H 104 8.530 8.530 8.726 -0.196 18842 10230 1 16 . 1 1 105 105 GLN N N 105 119.071 119.071 117.145 1.926 18842 10231 1 16 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.819 0.149 18842 10232 1 16 . 1 1 105 105 GLN C C 105 178.675 178.675 178.145 0.530 18842 10233 1 16 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.806 0.268 18842 10234 1 16 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.714 0.254 18842 10235 1 16 . 1 1 105 105 GLN H H 105 8.623 8.623 7.793 0.830 18842 10236 1 16 . 1 1 106 106 GLN N N 106 117.946 117.946 118.882 -0.936 18842 10237 1 16 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.096 -0.057 18842 10238 1 16 . 1 1 106 106 GLN C C 106 178.677 178.677 178.136 0.541 18842 10239 1 16 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.167 0.548 18842 10240 1 16 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.368 0.096 18842 10241 1 16 . 1 1 106 106 GLN H H 106 7.581 7.581 7.685 -0.104 18842 10242 1 16 . 1 1 107 107 ILE N N 107 120.013 120.013 118.878 1.135 18842 10243 1 16 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.737 -0.272 18842 10244 1 16 . 1 1 107 107 ILE C C 107 177.586 177.586 177.623 -0.037 18842 10245 1 16 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.079 1.403 18842 10246 1 16 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.561 0.578 18842 10247 1 16 . 1 1 107 107 ILE H H 107 7.801 7.801 7.933 -0.132 18842 10248 1 16 . 1 1 108 108 ILE N N 108 117.686 117.686 121.631 -3.945 18842 10249 1 16 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.893 -0.109 18842 10250 1 16 . 1 1 108 108 ILE C C 108 179.171 179.171 178.531 0.640 18842 10251 1 16 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.708 -0.105 18842 10252 1 16 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.873 0.368 18842 10253 1 16 . 1 1 108 108 ILE H H 108 8.734 8.734 8.290 0.444 18842 10254 1 16 . 1 1 109 109 SER N N 109 114.198 114.198 114.421 -0.223 18842 10255 1 16 . 1 1 109 109 SER HA H 109 4.214 4.214 4.090 0.124 18842 10256 1 16 . 1 1 109 109 SER C C 109 176.381 176.381 176.175 0.206 18842 10257 1 16 . 1 1 109 109 SER CA C 109 61.564 61.564 61.288 0.276 18842 10258 1 16 . 1 1 109 109 SER CB C 109 62.831 62.831 62.936 -0.105 18842 10259 1 16 . 1 1 109 109 SER H H 109 7.881 7.881 8.452 -0.571 18842 10260 1 16 . 1 1 110 110 ARG N N 110 121.010 121.010 120.611 0.399 18842 10261 1 16 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.912 0.225 18842 10262 1 16 . 1 1 110 110 ARG C C 110 178.636 178.636 178.521 0.115 18842 10263 1 16 . 1 1 110 110 ARG CA C 110 58.376 58.376 59.008 -0.632 18842 10264 1 16 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.144 0.706 18842 10265 1 16 . 1 1 110 110 ARG H H 110 7.550 7.550 7.657 -0.107 18842 10266 1 16 . 1 1 111 111 TYR N N 111 117.243 117.243 117.984 -0.741 18842 10267 1 16 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.334 0.461 18842 10268 1 16 . 1 1 111 111 TYR C C 111 176.218 176.218 178.113 -1.895 18842 10269 1 16 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.905 -2.331 18842 10270 1 16 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.526 -0.034 18842 10271 1 16 . 1 1 111 111 TYR H H 111 7.496 7.496 7.305 0.191 18842 10272 1 16 . 1 1 112 112 LYS N N 112 121.040 121.040 120.870 0.170 18842 10273 1 16 . 1 1 112 112 LYS HA H 112 4.334 4.334 3.993 0.341 18842 10274 1 16 . 1 1 112 112 LYS C C 112 177.437 177.437 179.307 -1.870 18842 10275 1 16 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.519 -1.889 18842 10276 1 16 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.057 0.533 18842 10277 1 16 . 1 1 112 112 LYS H H 112 7.755 7.755 7.423 0.332 18842 10278 1 16 . 1 1 113 113 ASP N N 113 120.593 120.593 118.285 2.308 18842 10279 1 16 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.466 0.171 18842 10280 1 16 . 1 1 113 113 ASP C C 113 176.587 176.587 177.797 -1.210 18842 10281 1 16 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.626 0.467 18842 10282 1 16 . 1 1 113 113 ASP H H 113 8.246 8.246 7.738 0.508 18842 10283 1 16 . 1 1 114 114 ALA N N 114 123.721 123.721 121.442 2.279 18842 10284 1 16 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.192 0.157 18842 10285 1 16 . 1 1 114 114 ALA C C 114 178.004 178.004 178.344 -0.340 18842 10286 1 16 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.080 -0.194 18842 10287 1 16 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.502 -0.236 18842 10288 1 16 . 1 1 114 114 ALA H H 114 8.038 8.038 7.493 0.545 18842 10289 1 17 . 1 1 2 2 SER N N 2 113.417 113.417 115.795 -2.378 18842 10290 1 17 . 1 1 2 2 SER HA H 2 4.355 4.355 4.610 -0.255 18842 10291 1 17 . 1 1 2 2 SER CA C 2 58.647 58.647 58.901 -0.254 18842 10292 1 17 . 1 1 2 2 SER CB C 2 63.504 63.504 64.864 -1.360 18842 10293 1 17 . 1 1 2 2 SER H H 2 8.096 8.096 8.785 -0.689 18842 10294 1 17 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.935 -0.258 18842 10295 1 17 . 1 1 3 3 HIS C C 3 173.601 173.601 173.162 0.439 18842 10296 1 17 . 1 1 3 3 HIS CA C 3 56.229 56.229 54.452 1.777 18842 10297 1 17 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.557 1.766 18842 10298 1 17 . 1 1 4 4 SER N N 4 113.555 113.555 114.994 -1.439 18842 10299 1 17 . 1 1 4 4 SER HA H 4 5.483 5.483 4.999 0.484 18842 10300 1 17 . 1 1 4 4 SER C C 4 173.624 173.624 172.277 1.347 18842 10301 1 17 . 1 1 4 4 SER CA C 4 56.904 56.904 58.127 -1.223 18842 10302 1 17 . 1 1 4 4 SER CB C 4 65.900 65.900 65.186 0.714 18842 10303 1 17 . 1 1 4 4 SER H H 4 7.865 7.865 7.791 0.074 18842 10304 1 17 . 1 1 5 5 GLY N N 5 107.050 107.050 107.026 0.024 18842 10305 1 17 . 1 1 5 5 GLY C C 5 170.915 170.915 171.940 -1.025 18842 10306 1 17 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.710 0.707 18842 10307 1 17 . 1 1 5 5 GLY H H 5 8.370 8.370 8.801 -0.431 18842 10308 1 17 . 1 1 6 6 ALA N N 6 125.347 125.347 122.949 2.398 18842 10309 1 17 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.686 0.267 18842 10310 1 17 . 1 1 6 6 ALA C C 6 176.816 176.816 176.220 0.596 18842 10311 1 17 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.355 0.250 18842 10312 1 17 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.171 0.202 18842 10313 1 17 . 1 1 6 6 ALA H H 6 8.671 8.671 8.507 0.164 18842 10314 1 17 . 1 1 7 7 ALA N N 7 120.077 120.077 125.936 -5.859 18842 10315 1 17 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.084 0.578 18842 10316 1 17 . 1 1 7 7 ALA C C 7 176.697 176.697 175.696 1.001 18842 10317 1 17 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.638 2.030 18842 10318 1 17 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.443 2.605 18842 10319 1 17 . 1 1 7 7 ALA H H 7 8.391 8.391 8.068 0.323 18842 10320 1 17 . 1 1 8 8 ILE N N 8 125.517 125.517 120.415 5.102 18842 10321 1 17 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.931 0.056 18842 10322 1 17 . 1 1 8 8 ILE C C 8 175.327 175.327 174.354 0.973 18842 10323 1 17 . 1 1 8 8 ILE CA C 8 59.844 59.844 61.206 -1.362 18842 10324 1 17 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.874 -1.285 18842 10325 1 17 . 1 1 8 8 ILE H H 8 9.383 9.383 7.781 1.602 18842 10326 1 17 . 1 1 9 9 PHE N N 9 128.853 128.853 125.173 3.680 18842 10327 1 17 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.718 -0.401 18842 10328 1 17 . 1 1 9 9 PHE C C 9 173.920 173.920 174.519 -0.599 18842 10329 1 17 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.945 0.173 18842 10330 1 17 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.741 -1.916 18842 10331 1 17 . 1 1 9 9 PHE H H 9 8.467 8.467 9.171 -0.704 18842 10332 1 17 . 1 1 10 10 GLU N N 10 126.396 126.396 126.012 0.384 18842 10333 1 17 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.518 -0.316 18842 10334 1 17 . 1 1 10 10 GLU C C 10 175.226 175.226 175.570 -0.344 18842 10335 1 17 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.043 -0.363 18842 10336 1 17 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.287 -0.592 18842 10337 1 17 . 1 1 10 10 GLU H H 10 8.769 8.769 8.972 -0.203 18842 10338 1 17 . 1 1 11 11 LYS N N 11 105.585 105.585 111.202 -5.617 18842 10339 1 17 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.933 -0.531 18842 10340 1 17 . 1 1 11 11 LYS C C 11 175.596 175.596 175.243 0.353 18842 10341 1 17 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.557 0.891 18842 10342 1 17 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.777 -1.643 18842 10343 1 17 . 1 1 11 11 LYS H H 11 7.931 7.931 8.328 -0.397 18842 10344 1 17 . 1 1 12 12 VAL N N 12 123.819 123.819 121.300 2.519 18842 10345 1 17 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.335 0.082 18842 10346 1 17 . 1 1 12 12 VAL C C 12 175.188 175.188 174.509 0.679 18842 10347 1 17 . 1 1 12 12 VAL CA C 12 61.685 61.685 59.642 2.043 18842 10348 1 17 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.599 -0.420 18842 10349 1 17 . 1 1 12 12 VAL H H 12 7.954 7.954 7.392 0.562 18842 10350 1 17 . 1 1 13 13 SER N N 13 121.981 121.981 122.047 -0.066 18842 10351 1 17 . 1 1 13 13 SER HA H 13 4.624 4.624 4.722 -0.098 18842 10352 1 17 . 1 1 13 13 SER C C 13 175.408 175.408 174.031 1.377 18842 10353 1 17 . 1 1 13 13 SER CA C 13 59.766 59.766 58.093 1.673 18842 10354 1 17 . 1 1 13 13 SER CB C 13 63.591 63.591 64.249 -0.658 18842 10355 1 17 . 1 1 13 13 SER H H 13 8.895 8.895 8.627 0.268 18842 10356 1 17 . 1 1 14 14 GLY N N 14 113.215 113.215 111.357 1.858 18842 10357 1 17 . 1 1 14 14 GLY C C 14 172.790 172.790 172.304 0.486 18842 10358 1 17 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.357 2.180 18842 10359 1 17 . 1 1 14 14 GLY H H 14 8.287 8.287 9.300 -1.013 18842 10360 1 17 . 1 1 15 15 ILE N N 15 123.244 123.244 119.619 3.625 18842 10361 1 17 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.390 0.430 18842 10362 1 17 . 1 1 15 15 ILE C C 15 175.417 175.417 174.140 1.277 18842 10363 1 17 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.462 -0.159 18842 10364 1 17 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.077 1.719 18842 10365 1 17 . 1 1 15 15 ILE H H 15 8.330 8.330 7.575 0.755 18842 10366 1 17 . 1 1 16 16 ILE N N 16 127.640 127.640 128.716 -1.076 18842 10367 1 17 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.444 0.523 18842 10368 1 17 . 1 1 16 16 ILE C C 16 173.248 173.248 173.829 -0.581 18842 10369 1 17 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.129 -0.317 18842 10370 1 17 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.390 2.333 18842 10371 1 17 . 1 1 16 16 ILE H H 16 9.438 9.438 9.290 0.148 18842 10372 1 17 . 1 1 17 17 ALA N N 17 127.760 127.760 130.915 -3.155 18842 10373 1 17 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.899 0.206 18842 10374 1 17 . 1 1 17 17 ALA C C 17 177.510 177.510 175.690 1.820 18842 10375 1 17 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.219 1.226 18842 10376 1 17 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.511 -0.350 18842 10377 1 17 . 1 1 17 17 ALA H H 17 8.968 8.968 8.822 0.146 18842 10378 1 17 . 1 1 18 18 ILE N N 18 122.269 122.269 123.498 -1.229 18842 10379 1 17 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.408 0.183 18842 10380 1 17 . 1 1 18 18 ILE C C 18 174.334 174.334 175.901 -1.567 18842 10381 1 17 . 1 1 18 18 ILE CA C 18 60.656 60.656 61.087 -0.431 18842 10382 1 17 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.382 0.682 18842 10383 1 17 . 1 1 18 18 ILE H H 18 8.665 8.665 8.476 0.189 18842 10384 1 17 . 1 1 19 19 ASN N N 19 127.568 127.568 126.244 1.324 18842 10385 1 17 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.815 0.265 18842 10386 1 17 . 1 1 19 19 ASN C C 19 174.784 174.784 175.180 -0.396 18842 10387 1 17 . 1 1 19 19 ASN CA C 19 51.638 51.638 51.937 -0.299 18842 10388 1 17 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.559 1.032 18842 10389 1 17 . 1 1 19 19 ASN H H 19 9.378 9.378 9.061 0.317 18842 10390 1 17 . 1 1 20 20 GLU N N 20 121.587 121.587 124.179 -2.592 18842 10391 1 17 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.542 0.161 18842 10392 1 17 . 1 1 20 20 GLU C C 20 176.152 176.152 176.174 -0.022 18842 10393 1 17 . 1 1 20 20 GLU CA C 20 55.891 55.891 55.586 0.305 18842 10394 1 17 . 1 1 20 20 GLU CB C 20 30.867 30.867 28.432 2.435 18842 10395 1 17 . 1 1 20 20 GLU H H 20 9.046 9.046 8.303 0.743 18842 10396 1 17 . 1 1 21 21 ASP N N 21 121.077 121.077 119.734 1.343 18842 10397 1 17 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.749 -0.130 18842 10398 1 17 . 1 1 21 21 ASP C C 21 175.688 175.688 176.275 -0.587 18842 10399 1 17 . 1 1 21 21 ASP CA C 21 55.512 55.512 55.232 0.280 18842 10400 1 17 . 1 1 21 21 ASP CB C 21 40.476 40.476 42.275 -1.799 18842 10401 1 17 . 1 1 21 21 ASP H H 21 8.724 8.724 8.139 0.585 18842 10402 1 17 . 1 1 22 22 VAL N N 22 113.035 113.035 115.402 -2.367 18842 10403 1 17 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.376 -0.058 18842 10404 1 17 . 1 1 22 22 VAL C C 22 173.445 173.445 175.882 -2.437 18842 10405 1 17 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.813 -0.764 18842 10406 1 17 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.654 0.368 18842 10407 1 17 . 1 1 22 22 VAL H H 22 6.844 6.844 7.262 -0.418 18842 10408 1 17 . 1 1 23 23 SER N N 23 114.945 114.945 115.418 -0.473 18842 10409 1 17 . 1 1 23 23 SER HA H 23 4.735 4.735 4.514 0.221 18842 10410 1 17 . 1 1 23 23 SER CA C 23 53.765 53.765 60.612 -6.847 18842 10411 1 17 . 1 1 23 23 SER CB C 23 64.743 64.743 62.242 2.501 18842 10412 1 17 . 1 1 23 23 SER H H 23 8.046 8.046 8.584 -0.538 18842 10413 1 17 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.593 0.175 18842 10414 1 17 . 1 1 24 24 PRO C C 24 174.807 174.807 175.665 -0.858 18842 10415 1 17 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.952 0.808 18842 10416 1 17 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.649 3.092 18842 10417 1 17 . 1 1 25 25 ALA N N 25 120.415 120.415 128.835 -8.420 18842 10418 1 17 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.383 0.132 18842 10419 1 17 . 1 1 25 25 ALA C C 25 175.790 175.790 177.106 -1.316 18842 10420 1 17 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.783 -0.250 18842 10421 1 17 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.290 1.292 18842 10422 1 17 . 1 1 25 25 ALA H H 25 7.979 7.979 8.486 -0.507 18842 10423 1 17 . 1 1 26 26 GLU N N 26 115.395 115.395 122.885 -7.490 18842 10424 1 17 . 1 1 26 26 GLU HA H 26 5.039 5.039 4.975 0.064 18842 10425 1 17 . 1 1 26 26 GLU C C 26 174.619 174.619 175.170 -0.551 18842 10426 1 17 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.260 -0.231 18842 10427 1 17 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.416 1.200 18842 10428 1 17 . 1 1 26 26 GLU H H 26 7.851 7.851 8.162 -0.311 18842 10429 1 17 . 1 1 27 27 LEU N N 27 124.661 124.661 122.646 2.015 18842 10430 1 17 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.831 0.195 18842 10431 1 17 . 1 1 27 27 LEU C C 27 174.740 174.740 174.875 -0.135 18842 10432 1 17 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.225 -0.444 18842 10433 1 17 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.843 0.766 18842 10434 1 17 . 1 1 27 27 LEU H H 27 8.898 8.898 9.371 -0.473 18842 10435 1 17 . 1 1 28 28 THR N N 28 121.731 121.731 124.556 -2.825 18842 10436 1 17 . 1 1 28 28 THR HA H 28 5.207 5.207 5.009 0.198 18842 10437 1 17 . 1 1 28 28 THR C C 28 172.661 172.661 173.411 -0.750 18842 10438 1 17 . 1 1 28 28 THR CA C 28 61.178 61.178 62.611 -1.433 18842 10439 1 17 . 1 1 28 28 THR CB C 28 71.422 71.422 69.641 1.781 18842 10440 1 17 . 1 1 28 28 THR H H 28 9.283 9.283 9.226 0.057 18842 10441 1 17 . 1 1 29 29 TRP N N 29 128.950 128.950 131.270 -2.320 18842 10442 1 17 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.158 0.273 18842 10443 1 17 . 1 1 29 29 TRP C C 29 173.939 173.939 174.507 -0.568 18842 10444 1 17 . 1 1 29 29 TRP CA C 29 55.782 55.782 55.961 -0.179 18842 10445 1 17 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.722 1.455 18842 10446 1 17 . 1 1 29 29 TRP H H 29 9.399 9.399 9.450 -0.051 18842 10447 1 17 . 1 1 30 30 ARG N N 30 126.402 126.402 129.704 -3.302 18842 10448 1 17 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.388 0.441 18842 10449 1 17 . 1 1 30 30 ARG C C 30 174.751 174.751 175.697 -0.946 18842 10450 1 17 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.265 -0.876 18842 10451 1 17 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.188 1.630 18842 10452 1 17 . 1 1 30 30 ARG H H 30 7.613 7.613 9.111 -1.498 18842 10453 1 17 . 1 1 31 31 SER N N 31 118.353 118.353 121.394 -3.041 18842 10454 1 17 . 1 1 31 31 SER HA H 31 4.138 4.138 3.711 0.427 18842 10455 1 17 . 1 1 31 31 SER C C 31 176.426 176.426 175.521 0.905 18842 10456 1 17 . 1 1 31 31 SER CA C 31 58.013 58.013 58.372 -0.359 18842 10457 1 17 . 1 1 31 31 SER CB C 31 64.081 64.081 63.221 0.860 18842 10458 1 17 . 1 1 31 31 SER H H 31 8.086 8.086 8.332 -0.246 18842 10459 1 17 . 1 1 32 32 THR N N 32 119.213 119.213 114.040 5.173 18842 10460 1 17 . 1 1 32 32 THR HA H 32 3.856 3.856 4.088 -0.232 18842 10461 1 17 . 1 1 32 32 THR C C 32 175.664 175.664 175.377 0.287 18842 10462 1 17 . 1 1 32 32 THR CA C 32 66.142 66.142 64.722 1.420 18842 10463 1 17 . 1 1 32 32 THR CB C 32 68.446 68.446 68.785 -0.339 18842 10464 1 17 . 1 1 32 32 THR H H 32 8.556 8.556 8.242 0.314 18842 10465 1 17 . 1 1 33 33 ASP N N 33 117.260 117.260 121.668 -4.408 18842 10466 1 17 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.586 0.041 18842 10467 1 17 . 1 1 33 33 ASP C C 33 177.098 177.098 176.915 0.183 18842 10468 1 17 . 1 1 33 33 ASP CA C 33 54.367 54.367 55.066 -0.699 18842 10469 1 17 . 1 1 33 33 ASP H H 33 8.236 8.236 8.273 -0.037 18842 10470 1 17 . 1 1 34 34 GLY N N 34 109.136 109.136 107.056 2.080 18842 10471 1 17 . 1 1 34 34 GLY C C 34 173.778 173.778 174.320 -0.542 18842 10472 1 17 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.937 0.462 18842 10473 1 17 . 1 1 34 34 GLY H H 34 7.935 7.935 8.313 -0.378 18842 10474 1 17 . 1 1 35 35 ASP N N 35 117.913 117.913 117.969 -0.056 18842 10475 1 17 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.620 -0.090 18842 10476 1 17 . 1 1 35 35 ASP C C 35 175.403 175.403 176.232 -0.829 18842 10477 1 17 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.001 0.810 18842 10478 1 17 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.385 -0.343 18842 10479 1 17 . 1 1 35 35 ASP H H 35 8.271 8.271 7.965 0.306 18842 10480 1 17 . 1 1 36 36 LYS N N 36 120.335 120.335 119.871 0.464 18842 10481 1 17 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.766 0.141 18842 10482 1 17 . 1 1 36 36 LYS C C 36 174.651 174.651 174.298 0.353 18842 10483 1 17 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.807 -0.400 18842 10484 1 17 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.941 -0.106 18842 10485 1 17 . 1 1 36 36 LYS H H 36 7.769 7.769 8.084 -0.315 18842 10486 1 17 . 1 1 37 37 VAL N N 37 121.484 121.484 121.830 -0.346 18842 10487 1 17 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.132 0.183 18842 10488 1 17 . 1 1 37 37 VAL C C 37 175.069 175.069 174.922 0.147 18842 10489 1 17 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.625 0.473 18842 10490 1 17 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.287 0.771 18842 10491 1 17 . 1 1 37 37 VAL H H 37 8.582 8.582 8.625 -0.043 18842 10492 1 17 . 1 1 38 38 HIS N N 38 125.660 125.660 123.968 1.692 18842 10493 1 17 . 1 1 38 38 HIS HA H 38 5.084 5.084 5.002 0.082 18842 10494 1 17 . 1 1 38 38 HIS C C 38 173.268 173.268 173.163 0.105 18842 10495 1 17 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.007 0.061 18842 10496 1 17 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.201 -0.113 18842 10497 1 17 . 1 1 38 38 HIS H H 38 9.621 9.621 9.059 0.562 18842 10498 1 17 . 1 1 39 39 THR N N 39 124.752 124.752 120.305 4.447 18842 10499 1 17 . 1 1 39 39 THR HA H 39 5.139 5.139 4.939 0.200 18842 10500 1 17 . 1 1 39 39 THR C C 39 173.208 173.208 172.779 0.429 18842 10501 1 17 . 1 1 39 39 THR CA C 39 61.518 61.518 61.106 0.412 18842 10502 1 17 . 1 1 39 39 THR CB C 39 70.665 70.665 70.931 -0.266 18842 10503 1 17 . 1 1 39 39 THR H H 39 8.527 8.527 7.866 0.661 18842 10504 1 17 . 1 1 40 40 VAL N N 40 126.002 126.002 125.634 0.368 18842 10505 1 17 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.241 -0.317 18842 10506 1 17 . 1 1 40 40 VAL C C 40 174.731 174.731 173.843 0.888 18842 10507 1 17 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.548 -0.199 18842 10508 1 17 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.783 -1.418 18842 10509 1 17 . 1 1 40 40 VAL H H 40 9.388 9.388 9.163 0.225 18842 10510 1 17 . 1 1 41 41 VAL N N 41 129.872 129.872 128.320 1.552 18842 10511 1 17 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.288 -0.304 18842 10512 1 17 . 1 1 41 41 VAL C C 41 179.410 179.410 176.107 3.303 18842 10513 1 17 . 1 1 41 41 VAL CA C 41 63.616 63.616 62.181 1.435 18842 10514 1 17 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.562 -0.574 18842 10515 1 17 . 1 1 41 41 VAL H H 41 9.054 9.054 8.898 0.156 18842 10516 1 17 . 1 1 42 42 LEU N N 42 130.076 130.076 128.909 1.167 18842 10517 1 17 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.141 -0.187 18842 10518 1 17 . 1 1 42 42 LEU C C 42 176.121 176.121 178.562 -2.441 18842 10519 1 17 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.964 1.658 18842 10520 1 17 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.407 0.416 18842 10521 1 17 . 1 1 42 42 LEU H H 42 9.193 9.193 8.294 0.899 18842 10522 1 17 . 1 1 43 43 SER N N 43 109.703 109.703 112.588 -2.885 18842 10523 1 17 . 1 1 43 43 SER HA H 43 3.944 3.944 2.376 1.568 18842 10524 1 17 . 1 1 43 43 SER C C 43 175.455 175.455 175.738 -0.283 18842 10525 1 17 . 1 1 43 43 SER CA C 43 59.442 59.442 60.479 -1.037 18842 10526 1 17 . 1 1 43 43 SER CB C 43 61.299 61.299 62.549 -1.250 18842 10527 1 17 . 1 1 43 43 SER H H 43 6.961 6.961 8.363 -1.402 18842 10528 1 17 . 1 1 44 44 THR N N 44 110.409 110.409 114.479 -4.070 18842 10529 1 17 . 1 1 44 44 THR HA H 44 4.519 4.519 4.233 0.286 18842 10530 1 17 . 1 1 44 44 THR C C 44 173.493 173.493 175.595 -2.102 18842 10531 1 17 . 1 1 44 44 THR CA C 44 62.076 62.076 63.130 -1.054 18842 10532 1 17 . 1 1 44 44 THR CB C 44 69.788 69.788 69.513 0.275 18842 10533 1 17 . 1 1 44 44 THR H H 44 7.657 7.657 7.959 -0.302 18842 10534 1 17 . 1 1 45 45 ILE N N 45 120.972 120.972 125.075 -4.103 18842 10535 1 17 . 1 1 45 45 ILE HA H 45 4.325 4.325 3.941 0.384 18842 10536 1 17 . 1 1 45 45 ILE C C 45 173.882 173.882 175.825 -1.943 18842 10537 1 17 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.544 -3.503 18842 10538 1 17 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.517 0.983 18842 10539 1 17 . 1 1 45 45 ILE H H 45 7.089 7.089 7.942 -0.853 18842 10540 1 17 . 1 1 46 46 ASP N N 46 126.759 126.759 128.192 -1.433 18842 10541 1 17 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.376 0.286 18842 10542 1 17 . 1 1 46 46 ASP C C 46 175.424 175.424 176.005 -0.581 18842 10543 1 17 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.566 -1.549 18842 10544 1 17 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.807 2.776 18842 10545 1 17 . 1 1 46 46 ASP H H 46 9.372 9.372 8.581 0.791 18842 10546 1 17 . 1 1 47 47 LYS N N 47 111.663 111.663 114.979 -3.316 18842 10547 1 17 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.579 0.174 18842 10548 1 17 . 1 1 47 47 LYS C C 47 172.574 172.574 174.121 -1.547 18842 10549 1 17 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.249 -0.634 18842 10550 1 17 . 1 1 47 47 LYS CB C 47 36.196 36.196 35.263 0.933 18842 10551 1 17 . 1 1 47 47 LYS H H 47 7.522 7.522 7.424 0.098 18842 10552 1 17 . 1 1 48 48 LEU N N 48 123.295 123.295 120.219 3.076 18842 10553 1 17 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.878 0.265 18842 10554 1 17 . 1 1 48 48 LEU C C 48 174.770 174.770 176.381 -1.611 18842 10555 1 17 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.902 -0.966 18842 10556 1 17 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.722 0.858 18842 10557 1 17 . 1 1 48 48 LEU H H 48 8.938 8.938 8.376 0.562 18842 10558 1 17 . 1 1 49 49 GLN N N 49 120.979 120.979 119.956 1.023 18842 10559 1 17 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.632 0.880 18842 10560 1 17 . 1 1 49 49 GLN C C 49 174.626 174.626 173.918 0.708 18842 10561 1 17 . 1 1 49 49 GLN CA C 49 53.631 53.631 55.411 -1.780 18842 10562 1 17 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.129 0.960 18842 10563 1 17 . 1 1 49 49 GLN H H 49 9.246 9.246 8.522 0.724 18842 10564 1 17 . 1 1 50 50 ALA N N 50 122.440 122.440 125.925 -3.485 18842 10565 1 17 . 1 1 50 50 ALA HA H 50 5.808 5.808 5.038 0.770 18842 10566 1 17 . 1 1 50 50 ALA C C 50 177.277 177.277 176.607 0.670 18842 10567 1 17 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.188 -0.567 18842 10568 1 17 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.807 2.716 18842 10569 1 17 . 1 1 50 50 ALA H H 50 9.365 9.365 8.355 1.010 18842 10570 1 17 . 1 1 51 51 THR N N 51 114.289 114.289 118.580 -4.291 18842 10571 1 17 . 1 1 51 51 THR HA H 51 4.615 4.615 4.336 0.279 18842 10572 1 17 . 1 1 51 51 THR CA C 51 59.197 59.197 61.201 -2.004 18842 10573 1 17 . 1 1 51 51 THR CB C 51 67.937 67.937 68.349 -0.412 18842 10574 1 17 . 1 1 51 51 THR H H 51 8.368 8.368 8.588 -0.220 18842 10575 1 17 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.280 0.251 18842 10576 1 17 . 1 1 52 52 PRO C C 52 178.380 178.380 177.833 0.547 18842 10577 1 17 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.807 -0.432 18842 10578 1 17 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.183 0.457 18842 10579 1 17 . 1 1 53 53 ALA N N 53 126.235 126.235 123.042 3.193 18842 10580 1 17 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.109 -0.079 18842 10581 1 17 . 1 1 53 53 ALA C C 53 177.700 177.700 178.513 -0.813 18842 10582 1 17 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.304 0.491 18842 10583 1 17 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.616 -0.597 18842 10584 1 17 . 1 1 53 53 ALA H H 53 9.122 9.122 8.475 0.647 18842 10585 1 17 . 1 1 54 54 SER N N 54 107.216 107.216 112.035 -4.819 18842 10586 1 17 . 1 1 54 54 SER HA H 54 4.238 4.238 4.364 -0.126 18842 10587 1 17 . 1 1 54 54 SER C C 54 174.957 174.957 174.699 0.258 18842 10588 1 17 . 1 1 54 54 SER CA C 54 58.260 58.260 59.486 -1.226 18842 10589 1 17 . 1 1 54 54 SER CB C 54 63.120 63.120 63.286 -0.166 18842 10590 1 17 . 1 1 54 54 SER H H 54 7.620 7.620 7.967 -0.347 18842 10591 1 17 . 1 1 55 55 SER N N 55 117.523 117.523 117.340 0.183 18842 10592 1 17 . 1 1 55 55 SER HA H 55 4.469 4.469 4.570 -0.101 18842 10593 1 17 . 1 1 55 55 SER C C 55 174.952 174.952 173.868 1.084 18842 10594 1 17 . 1 1 55 55 SER CA C 55 57.500 57.500 57.337 0.163 18842 10595 1 17 . 1 1 55 55 SER CB C 55 63.801 63.801 63.606 0.195 18842 10596 1 17 . 1 1 55 55 SER H H 55 7.676 7.676 7.889 -0.213 18842 10597 1 17 . 1 1 56 56 GLU N N 56 124.557 124.557 127.346 -2.789 18842 10598 1 17 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.103 0.076 18842 10599 1 17 . 1 1 56 56 GLU C C 56 177.924 177.924 176.899 1.025 18842 10600 1 17 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.060 -0.399 18842 10601 1 17 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.844 -0.015 18842 10602 1 17 . 1 1 56 56 GLU H H 56 8.844 8.844 8.798 0.046 18842 10603 1 17 . 1 1 57 57 LYS N N 57 119.220 119.220 119.767 -0.547 18842 10604 1 17 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.344 -0.048 18842 10605 1 17 . 1 1 57 57 LYS C C 57 175.667 175.667 175.960 -0.293 18842 10606 1 17 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.474 1.381 18842 10607 1 17 . 1 1 57 57 LYS CB C 57 33.855 33.855 31.683 2.172 18842 10608 1 17 . 1 1 57 57 LYS H H 57 8.259 8.259 7.625 0.634 18842 10609 1 17 . 1 1 58 58 MET N N 58 123.270 123.270 124.614 -1.344 18842 10610 1 17 . 1 1 58 58 MET HA H 58 4.288 4.288 4.521 -0.233 18842 10611 1 17 . 1 1 58 58 MET C C 58 174.107 174.107 176.047 -1.940 18842 10612 1 17 . 1 1 58 58 MET CA C 58 55.067 55.067 55.549 -0.482 18842 10613 1 17 . 1 1 58 58 MET CB C 58 35.381 35.381 32.777 2.604 18842 10614 1 17 . 1 1 58 58 MET H H 58 8.811 8.811 8.690 0.121 18842 10615 1 17 . 1 1 59 59 MET N N 59 120.490 120.490 123.101 -2.611 18842 10616 1 17 . 1 1 59 59 MET HA H 59 5.873 5.873 4.992 0.881 18842 10617 1 17 . 1 1 59 59 MET C C 59 174.459 174.459 173.723 0.736 18842 10618 1 17 . 1 1 59 59 MET CA C 59 54.903 54.903 55.705 -0.802 18842 10619 1 17 . 1 1 59 59 MET CB C 59 39.231 39.231 38.075 1.156 18842 10620 1 17 . 1 1 59 59 MET H H 59 8.395 8.395 9.332 -0.937 18842 10621 1 17 . 1 1 60 60 LEU N N 60 118.105 118.105 123.127 -5.022 18842 10622 1 17 . 1 1 60 60 LEU HA H 60 5.664 5.664 5.155 0.509 18842 10623 1 17 . 1 1 60 60 LEU C C 60 175.664 175.664 175.113 0.551 18842 10624 1 17 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.123 -0.995 18842 10625 1 17 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.916 1.519 18842 10626 1 17 . 1 1 60 60 LEU H H 60 9.103 9.103 9.578 -0.475 18842 10627 1 17 . 1 1 61 61 ARG N N 61 120.757 120.757 121.144 -0.387 18842 10628 1 17 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.679 -0.221 18842 10629 1 17 . 1 1 61 61 ARG C C 61 173.515 173.515 174.632 -1.117 18842 10630 1 17 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.155 0.569 18842 10631 1 17 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.522 1.610 18842 10632 1 17 . 1 1 61 61 ARG H H 61 9.287 9.287 8.729 0.558 18842 10633 1 17 . 1 1 62 62 LEU N N 62 127.139 127.139 123.475 3.664 18842 10634 1 17 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.863 0.166 18842 10635 1 17 . 1 1 62 62 LEU C C 62 175.440 175.440 175.321 0.119 18842 10636 1 17 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.585 0.815 18842 10637 1 17 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.391 -2.288 18842 10638 1 17 . 1 1 62 62 LEU H H 62 9.307 9.307 8.709 0.598 18842 10639 1 17 . 1 1 63 63 ILE N N 63 123.292 123.292 127.004 -3.712 18842 10640 1 17 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.537 0.051 18842 10641 1 17 . 1 1 63 63 ILE C C 63 176.319 176.319 176.394 -0.075 18842 10642 1 17 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.682 0.705 18842 10643 1 17 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.209 -0.088 18842 10644 1 17 . 1 1 63 63 ILE H H 63 8.891 8.891 8.461 0.430 18842 10645 1 17 . 1 1 64 64 GLY N N 64 115.565 115.565 113.666 1.899 18842 10646 1 17 . 1 1 64 64 GLY C C 64 172.551 172.551 173.339 -0.788 18842 10647 1 17 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.343 2.086 18842 10648 1 17 . 1 1 64 64 GLY H H 64 9.356 9.356 7.482 1.874 18842 10649 1 17 . 1 1 65 65 LYS N N 65 119.442 119.442 119.998 -0.556 18842 10650 1 17 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.161 0.134 18842 10651 1 17 . 1 1 65 65 LYS C C 65 176.205 176.205 176.817 -0.612 18842 10652 1 17 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.184 -0.596 18842 10653 1 17 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.695 1.658 18842 10654 1 17 . 1 1 65 65 LYS H H 65 8.361 8.361 8.208 0.153 18842 10655 1 17 . 1 1 66 66 VAL N N 66 122.131 122.131 126.900 -4.769 18842 10656 1 17 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.290 -0.204 18842 10657 1 17 . 1 1 66 66 VAL C C 66 175.265 175.265 174.433 0.832 18842 10658 1 17 . 1 1 66 66 VAL CA C 66 62.063 62.063 60.451 1.612 18842 10659 1 17 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.433 -0.169 18842 10660 1 17 . 1 1 66 66 VAL H H 66 8.637 8.637 8.670 -0.033 18842 10661 1 17 . 1 1 67 67 ASP N N 67 125.510 125.510 116.224 9.286 18842 10662 1 17 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.730 -0.003 18842 10663 1 17 . 1 1 67 67 ASP C C 67 176.708 176.708 174.662 2.046 18842 10664 1 17 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.083 -0.943 18842 10665 1 17 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.950 -1.020 18842 10666 1 17 . 1 1 67 67 ASP H H 67 8.460 8.460 8.081 0.379 18842 10667 1 17 . 1 1 68 68 GLU N N 68 124.449 124.449 120.247 4.202 18842 10668 1 17 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.361 -0.273 18842 10669 1 17 . 1 1 68 68 GLU C C 68 177.451 177.451 177.436 0.015 18842 10670 1 17 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.586 1.269 18842 10671 1 17 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.186 -0.509 18842 10672 1 17 . 1 1 68 68 GLU H H 68 8.752 8.752 8.611 0.141 18842 10673 1 17 . 1 1 69 69 SER N N 69 115.515 115.515 115.164 0.351 18842 10674 1 17 . 1 1 69 69 SER HA H 69 4.329 4.329 4.327 0.002 18842 10675 1 17 . 1 1 69 69 SER C C 69 175.277 175.277 175.076 0.201 18842 10676 1 17 . 1 1 69 69 SER CA C 69 60.139 60.139 60.038 0.101 18842 10677 1 17 . 1 1 69 69 SER CB C 69 63.223 63.223 63.244 -0.021 18842 10678 1 17 . 1 1 69 69 SER H H 69 8.497 8.497 8.208 0.289 18842 10679 1 17 . 1 1 70 70 LYS N N 70 121.733 121.733 121.904 -0.171 18842 10680 1 17 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.492 -0.082 18842 10681 1 17 . 1 1 70 70 LYS C C 70 177.124 177.124 175.321 1.803 18842 10682 1 17 . 1 1 70 70 LYS CA C 70 55.324 55.324 54.907 0.417 18842 10683 1 17 . 1 1 70 70 LYS H H 70 7.689 7.689 7.694 -0.005 18842 10684 1 17 . 1 1 71 71 LYS N N 71 121.012 121.012 119.613 1.399 18842 10685 1 17 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.278 0.129 18842 10686 1 17 . 1 1 71 71 LYS C C 71 176.175 176.175 176.556 -0.381 18842 10687 1 17 . 1 1 71 71 LYS CA C 71 56.612 56.612 56.066 0.546 18842 10688 1 17 . 1 1 71 71 LYS H H 71 7.750 7.750 7.715 0.035 18842 10689 1 17 . 1 1 72 72 ARG N N 72 122.064 122.064 115.740 6.324 18842 10690 1 17 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.619 -0.018 18842 10691 1 17 . 1 1 72 72 ARG C C 72 175.228 175.228 173.772 1.456 18842 10692 1 17 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.249 -0.320 18842 10693 1 17 . 1 1 72 72 ARG CB C 72 32.325 32.325 30.898 1.427 18842 10694 1 17 . 1 1 72 72 ARG H H 72 8.420 8.420 8.291 0.129 18842 10695 1 17 . 1 1 73 73 LYS N N 73 121.217 121.217 119.369 1.848 18842 10696 1 17 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.574 0.359 18842 10697 1 17 . 1 1 73 73 LYS C C 73 177.010 177.010 176.722 0.288 18842 10698 1 17 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.854 -0.649 18842 10699 1 17 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.142 1.538 18842 10700 1 17 . 1 1 73 73 LYS H H 73 8.401 8.401 8.566 -0.165 18842 10701 1 17 . 1 1 74 74 ASP N N 74 122.025 122.025 119.731 2.294 18842 10702 1 17 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.725 -0.015 18842 10703 1 17 . 1 1 74 74 ASP C C 74 177.475 177.475 175.744 1.731 18842 10704 1 17 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.410 -0.654 18842 10705 1 17 . 1 1 74 74 ASP CB C 74 41.022 41.022 40.993 0.029 18842 10706 1 17 . 1 1 74 74 ASP H H 74 8.582 8.582 8.409 0.173 18842 10707 1 17 . 1 1 75 75 ASN N N 75 116.228 116.228 117.022 -0.794 18842 10708 1 17 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.449 0.087 18842 10709 1 17 . 1 1 75 75 ASN C C 75 175.999 175.999 175.009 0.990 18842 10710 1 17 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.866 -0.013 18842 10711 1 17 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.781 0.351 18842 10712 1 17 . 1 1 75 75 ASN H H 75 8.433 8.433 8.564 -0.131 18842 10713 1 17 . 1 1 76 76 GLU N N 76 118.958 118.958 117.986 0.972 18842 10714 1 17 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.486 -0.105 18842 10715 1 17 . 1 1 76 76 GLU C C 76 176.556 176.556 176.915 -0.359 18842 10716 1 17 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.343 -0.180 18842 10717 1 17 . 1 1 76 76 GLU H H 76 8.162 8.162 8.410 -0.248 18842 10718 1 17 . 1 1 77 77 GLY N N 77 108.062 108.062 107.888 0.174 18842 10719 1 17 . 1 1 77 77 GLY C C 77 174.247 174.247 173.035 1.212 18842 10720 1 17 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.714 0.496 18842 10721 1 17 . 1 1 77 77 GLY H H 77 8.106 8.106 8.047 0.059 18842 10722 1 17 . 1 1 78 78 ASN N N 78 119.929 119.929 118.770 1.159 18842 10723 1 17 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.944 -0.198 18842 10724 1 17 . 1 1 78 78 ASN C C 78 175.035 175.035 174.371 0.664 18842 10725 1 17 . 1 1 78 78 ASN CA C 78 52.795 52.795 51.863 0.932 18842 10726 1 17 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.956 -1.011 18842 10727 1 17 . 1 1 78 78 ASN H H 78 8.569 8.569 8.091 0.478 18842 10728 1 17 . 1 1 79 79 GLU N N 79 121.658 121.658 123.996 -2.338 18842 10729 1 17 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.351 0.130 18842 10730 1 17 . 1 1 79 79 GLU C C 79 176.302 176.302 176.093 0.209 18842 10731 1 17 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.685 -0.024 18842 10732 1 17 . 1 1 79 79 GLU CB C 79 30.643 30.643 27.754 2.889 18842 10733 1 17 . 1 1 79 79 GLU H H 79 8.691 8.691 8.819 -0.128 18842 10734 1 17 . 1 1 80 80 VAL N N 80 123.997 123.997 119.524 4.473 18842 10735 1 17 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.572 -0.317 18842 10736 1 17 . 1 1 80 80 VAL C C 80 175.544 175.544 174.872 0.672 18842 10737 1 17 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.388 0.905 18842 10738 1 17 . 1 1 80 80 VAL CB C 80 33.543 33.543 33.620 -0.077 18842 10739 1 17 . 1 1 80 80 VAL H H 80 8.581 8.581 8.691 -0.110 18842 10740 1 17 . 1 1 81 81 VAL N N 81 126.545 126.545 119.197 7.348 18842 10741 1 17 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.492 -0.066 18842 10742 1 17 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.662 0.889 18842 10743 1 17 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.572 1.322 18842 10744 1 17 . 1 1 81 81 VAL H H 81 8.407 8.407 8.298 0.109 18842 10745 1 17 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.378 0.054 18842 10746 1 17 . 1 1 82 82 PRO C C 82 176.036 176.036 176.040 -0.004 18842 10747 1 17 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.019 -0.454 18842 10748 1 17 . 1 1 83 83 LYS N N 83 121.727 121.727 123.807 -2.080 18842 10749 1 17 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.201 0.350 18842 10750 1 17 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.146 -1.367 18842 10751 1 17 . 1 1 83 83 LYS H H 83 8.316 8.316 8.209 0.107 18842 10752 1 17 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.479 -0.186 18842 10753 1 17 . 1 1 84 84 PRO C C 84 176.883 176.883 176.627 0.256 18842 10754 1 17 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.256 0.220 18842 10755 1 17 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.389 0.052 18842 10756 1 17 . 1 1 85 85 GLN N N 85 121.423 121.423 117.987 3.436 18842 10757 1 17 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.145 0.000 18842 10758 1 17 . 1 1 85 85 GLN C C 85 175.026 175.026 175.046 -0.020 18842 10759 1 17 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.916 -0.875 18842 10760 1 17 . 1 1 85 85 GLN CB C 85 29.809 29.809 29.316 0.493 18842 10761 1 17 . 1 1 85 85 GLN H H 85 8.471 8.471 8.421 0.050 18842 10762 1 17 . 1 1 86 86 ARG N N 86 120.972 120.972 115.906 5.066 18842 10763 1 17 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.667 0.520 18842 10764 1 17 . 1 1 86 86 ARG C C 86 175.091 175.091 174.540 0.551 18842 10765 1 17 . 1 1 86 86 ARG CA C 86 54.392 54.392 55.318 -0.926 18842 10766 1 17 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.796 1.632 18842 10767 1 17 . 1 1 86 86 ARG H H 86 8.265 8.265 8.338 -0.073 18842 10768 1 17 . 1 1 87 87 HIS N N 87 120.390 120.390 124.125 -3.735 18842 10769 1 17 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.731 0.014 18842 10770 1 17 . 1 1 87 87 HIS C C 87 173.730 173.730 173.855 -0.125 18842 10771 1 17 . 1 1 87 87 HIS CA C 87 54.207 54.207 55.008 -0.801 18842 10772 1 17 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.996 2.601 18842 10773 1 17 . 1 1 87 87 HIS H H 87 8.590 8.590 8.949 -0.359 18842 10774 1 17 . 1 1 88 88 MET N N 88 126.611 126.611 125.428 1.183 18842 10775 1 17 . 1 1 88 88 MET HA H 88 5.320 5.320 4.404 0.916 18842 10776 1 17 . 1 1 88 88 MET C C 88 173.520 173.520 173.827 -0.307 18842 10777 1 17 . 1 1 88 88 MET CA C 88 54.782 54.782 55.090 -0.308 18842 10778 1 17 . 1 1 88 88 MET CB C 88 35.451 35.451 32.890 2.561 18842 10779 1 17 . 1 1 88 88 MET H H 88 8.716 8.716 8.804 -0.088 18842 10780 1 17 . 1 1 89 89 PHE N N 89 122.328 122.328 126.503 -4.175 18842 10781 1 17 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.650 -0.440 18842 10782 1 17 . 1 1 89 89 PHE C C 89 174.448 174.448 174.983 -0.535 18842 10783 1 17 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.576 0.876 18842 10784 1 17 . 1 1 89 89 PHE CB C 89 44.088 44.088 42.060 2.028 18842 10785 1 17 . 1 1 89 89 PHE H H 89 8.989 8.989 9.142 -0.153 18842 10786 1 17 . 1 1 90 90 SER N N 90 116.094 116.094 118.288 -2.194 18842 10787 1 17 . 1 1 90 90 SER HA H 90 5.681 5.681 4.963 0.718 18842 10788 1 17 . 1 1 90 90 SER C C 90 173.094 173.094 173.338 -0.244 18842 10789 1 17 . 1 1 90 90 SER CA C 90 56.645 56.645 56.606 0.039 18842 10790 1 17 . 1 1 90 90 SER CB C 90 64.824 64.824 64.202 0.622 18842 10791 1 17 . 1 1 90 90 SER H H 90 8.680 8.680 8.305 0.375 18842 10792 1 17 . 1 1 91 91 PHE N N 91 120.812 120.812 125.705 -4.893 18842 10793 1 17 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.681 0.213 18842 10794 1 17 . 1 1 91 91 PHE C C 91 174.500 174.500 175.460 -0.960 18842 10795 1 17 . 1 1 91 91 PHE CA C 91 57.402 57.402 58.051 -0.649 18842 10796 1 17 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.525 2.802 18842 10797 1 17 . 1 1 91 91 PHE H H 91 9.050 9.050 8.721 0.329 18842 10798 1 17 . 1 1 92 92 ASN N N 92 115.876 115.876 120.085 -4.209 18842 10799 1 17 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.816 0.286 18842 10800 1 17 . 1 1 92 92 ASN C C 92 174.901 174.901 174.335 0.566 18842 10801 1 17 . 1 1 92 92 ASN CA C 92 52.207 52.207 52.982 -0.775 18842 10802 1 17 . 1 1 92 92 ASN CB C 92 39.864 39.864 38.841 1.023 18842 10803 1 17 . 1 1 92 92 ASN H H 92 9.135 9.135 8.744 0.391 18842 10804 1 17 . 1 1 93 93 ASN N N 93 118.335 118.335 115.945 2.390 18842 10805 1 17 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.940 -0.039 18842 10806 1 17 . 1 1 93 93 ASN C C 93 174.579 174.579 174.537 0.042 18842 10807 1 17 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.618 0.410 18842 10808 1 17 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.568 0.234 18842 10809 1 17 . 1 1 93 93 ASN H H 93 7.271 7.271 7.770 -0.499 18842 10810 1 17 . 1 1 94 94 ARG N N 94 129.027 129.027 121.989 7.038 18842 10811 1 17 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.409 -0.544 18842 10812 1 17 . 1 1 94 94 ARG C C 94 176.782 176.782 176.995 -0.213 18842 10813 1 17 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.760 0.291 18842 10814 1 17 . 1 1 94 94 ARG H H 94 9.334 9.334 8.855 0.479 18842 10815 1 17 . 1 1 95 95 THR N N 95 115.756 115.756 115.663 0.093 18842 10816 1 17 . 1 1 95 95 THR HA H 95 4.028 4.028 4.270 -0.242 18842 10817 1 17 . 1 1 95 95 THR C C 95 176.742 176.742 176.217 0.525 18842 10818 1 17 . 1 1 95 95 THR CA C 95 66.325 66.325 65.756 0.569 18842 10819 1 17 . 1 1 95 95 THR CB C 95 68.281 68.281 68.243 0.038 18842 10820 1 17 . 1 1 95 95 THR H H 95 8.000 8.000 8.098 -0.098 18842 10821 1 17 . 1 1 96 96 VAL N N 96 121.852 121.852 122.185 -0.333 18842 10822 1 17 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.781 0.015 18842 10823 1 17 . 1 1 96 96 VAL C C 96 177.587 177.587 176.969 0.618 18842 10824 1 17 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.510 -0.552 18842 10825 1 17 . 1 1 96 96 VAL CB C 96 32.027 32.027 32.027 -0.000 18842 10826 1 17 . 1 1 96 96 VAL H H 96 7.609 7.609 7.920 -0.311 18842 10827 1 17 . 1 1 97 97 MET N N 97 117.469 117.469 115.909 1.560 18842 10828 1 17 . 1 1 97 97 MET HA H 97 2.337 2.337 3.659 -1.322 18842 10829 1 17 . 1 1 97 97 MET C C 97 177.257 177.257 178.056 -0.799 18842 10830 1 17 . 1 1 97 97 MET H H 97 7.337 7.337 7.568 -0.231 18842 10831 1 17 . 1 1 98 98 ASP N N 98 118.162 118.162 120.625 -2.463 18842 10832 1 17 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.419 -0.103 18842 10833 1 17 . 1 1 98 98 ASP C C 98 178.771 178.771 179.064 -0.293 18842 10834 1 17 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.286 0.268 18842 10835 1 17 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.317 -0.538 18842 10836 1 17 . 1 1 98 98 ASP H H 98 8.729 8.729 7.895 0.834 18842 10837 1 17 . 1 1 99 99 ASN N N 99 120.303 120.303 117.463 2.840 18842 10838 1 17 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.587 -0.118 18842 10839 1 17 . 1 1 99 99 ASN C C 99 178.220 178.220 176.873 1.347 18842 10840 1 17 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.714 0.380 18842 10841 1 17 . 1 1 99 99 ASN CB C 99 38.372 38.372 39.551 -1.179 18842 10842 1 17 . 1 1 99 99 ASN H H 99 8.104 8.104 8.214 -0.110 18842 10843 1 17 . 1 1 100 100 ILE N N 100 121.160 121.160 120.757 0.403 18842 10844 1 17 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.957 -0.311 18842 10845 1 17 . 1 1 100 100 ILE C C 100 177.361 177.361 177.256 0.105 18842 10846 1 17 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.412 -1.665 18842 10847 1 17 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.569 -1.867 18842 10848 1 17 . 1 1 100 100 ILE H H 100 8.020 8.020 8.207 -0.187 18842 10849 1 17 . 1 1 101 101 LYS N N 101 120.747 120.747 120.856 -0.109 18842 10850 1 17 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.985 -0.301 18842 10851 1 17 . 1 1 101 101 LYS C C 101 177.127 177.127 179.098 -1.971 18842 10852 1 17 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.647 0.513 18842 10853 1 17 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.222 0.775 18842 10854 1 17 . 1 1 101 101 LYS H H 101 8.907 8.907 8.488 0.419 18842 10855 1 17 . 1 1 102 102 MET N N 102 116.126 116.126 113.979 2.147 18842 10856 1 17 . 1 1 102 102 MET HA H 102 4.245 4.245 4.459 -0.214 18842 10857 1 17 . 1 1 102 102 MET C C 102 178.941 178.941 178.110 0.831 18842 10858 1 17 . 1 1 102 102 MET CA C 102 58.367 58.367 58.642 -0.275 18842 10859 1 17 . 1 1 102 102 MET CB C 102 32.055 32.055 32.518 -0.463 18842 10860 1 17 . 1 1 102 102 MET H H 102 8.002 8.002 7.534 0.468 18842 10861 1 17 . 1 1 103 103 THR N N 103 117.988 117.988 117.852 0.136 18842 10862 1 17 . 1 1 103 103 THR HA H 103 3.861 3.861 4.070 -0.209 18842 10863 1 17 . 1 1 103 103 THR C C 103 176.493 176.493 176.616 -0.123 18842 10864 1 17 . 1 1 103 103 THR CA C 103 66.168 66.168 65.919 0.249 18842 10865 1 17 . 1 1 103 103 THR CB C 103 67.923 67.923 68.970 -1.047 18842 10866 1 17 . 1 1 103 103 THR H H 103 7.694 7.694 7.418 0.276 18842 10867 1 17 . 1 1 104 104 LEU N N 104 119.248 119.248 121.482 -2.234 18842 10868 1 17 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.057 -0.177 18842 10869 1 17 . 1 1 104 104 LEU C C 104 178.072 178.072 178.318 -0.246 18842 10870 1 17 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.362 -0.316 18842 10871 1 17 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.546 1.348 18842 10872 1 17 . 1 1 104 104 LEU H H 104 8.530 8.530 8.764 -0.234 18842 10873 1 17 . 1 1 105 105 GLN N N 105 119.071 119.071 117.048 2.023 18842 10874 1 17 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.873 0.095 18842 10875 1 17 . 1 1 105 105 GLN C C 105 178.675 178.675 178.312 0.363 18842 10876 1 17 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.689 0.384 18842 10877 1 17 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.735 0.233 18842 10878 1 17 . 1 1 105 105 GLN H H 105 8.623 8.623 7.770 0.853 18842 10879 1 17 . 1 1 106 106 GLN N N 106 117.946 117.946 118.745 -0.799 18842 10880 1 17 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.107 -0.068 18842 10881 1 17 . 1 1 106 106 GLN C C 106 178.677 178.677 178.419 0.258 18842 10882 1 17 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.089 0.626 18842 10883 1 17 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.403 0.061 18842 10884 1 17 . 1 1 106 106 GLN H H 106 7.581 7.581 7.681 -0.100 18842 10885 1 17 . 1 1 107 107 ILE N N 107 120.013 120.013 119.656 0.357 18842 10886 1 17 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.673 -0.208 18842 10887 1 17 . 1 1 107 107 ILE C C 107 177.586 177.586 177.531 0.055 18842 10888 1 17 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.284 1.198 18842 10889 1 17 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.181 0.958 18842 10890 1 17 . 1 1 107 107 ILE H H 107 7.801 7.801 7.976 -0.175 18842 10891 1 17 . 1 1 108 108 ILE N N 108 117.686 117.686 121.509 -3.823 18842 10892 1 17 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.776 0.008 18842 10893 1 17 . 1 1 108 108 ILE C C 108 179.171 179.171 178.515 0.656 18842 10894 1 17 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.525 0.078 18842 10895 1 17 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.668 0.573 18842 10896 1 17 . 1 1 108 108 ILE H H 108 8.734 8.734 7.952 0.782 18842 10897 1 17 . 1 1 109 109 SER N N 109 114.198 114.198 115.255 -1.057 18842 10898 1 17 . 1 1 109 109 SER HA H 109 4.214 4.214 4.045 0.169 18842 10899 1 17 . 1 1 109 109 SER C C 109 176.381 176.381 176.174 0.207 18842 10900 1 17 . 1 1 109 109 SER CA C 109 61.564 61.564 61.298 0.266 18842 10901 1 17 . 1 1 109 109 SER CB C 109 62.831 62.831 62.597 0.234 18842 10902 1 17 . 1 1 109 109 SER H H 109 7.881 7.881 8.508 -0.627 18842 10903 1 17 . 1 1 110 110 ARG N N 110 121.010 121.010 120.417 0.593 18842 10904 1 17 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.904 0.233 18842 10905 1 17 . 1 1 110 110 ARG C C 110 178.636 178.636 178.155 0.481 18842 10906 1 17 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.617 -0.241 18842 10907 1 17 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.801 0.049 18842 10908 1 17 . 1 1 110 110 ARG H H 110 7.550 7.550 7.228 0.322 18842 10909 1 17 . 1 1 111 111 TYR N N 111 117.243 117.243 115.955 1.288 18842 10910 1 17 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.560 0.235 18842 10911 1 17 . 1 1 111 111 TYR C C 111 176.218 176.218 177.345 -1.127 18842 10912 1 17 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.809 -1.236 18842 10913 1 17 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.921 -0.429 18842 10914 1 17 . 1 1 111 111 TYR H H 111 7.496 7.496 7.792 -0.296 18842 10915 1 17 . 1 1 112 112 LYS N N 112 121.040 121.040 121.258 -0.218 18842 10916 1 17 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.052 0.282 18842 10917 1 17 . 1 1 112 112 LYS C C 112 177.437 177.437 178.382 -0.945 18842 10918 1 17 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.679 -2.049 18842 10919 1 17 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.126 0.465 18842 10920 1 17 . 1 1 112 112 LYS H H 112 7.755 7.755 7.599 0.156 18842 10921 1 17 . 1 1 113 113 ASP N N 113 120.593 120.593 117.751 2.842 18842 10922 1 17 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.427 0.210 18842 10923 1 17 . 1 1 113 113 ASP C C 113 176.587 176.587 177.737 -1.150 18842 10924 1 17 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.804 0.289 18842 10925 1 17 . 1 1 113 113 ASP H H 113 8.246 8.246 7.998 0.248 18842 10926 1 17 . 1 1 114 114 ALA N N 114 123.721 123.721 121.463 2.258 18842 10927 1 17 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.228 0.121 18842 10928 1 17 . 1 1 114 114 ALA C C 114 178.004 178.004 178.264 -0.260 18842 10929 1 17 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.062 -0.176 18842 10930 1 17 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.423 -0.158 18842 10931 1 17 . 1 1 114 114 ALA H H 114 8.038 8.038 7.881 0.157 18842 10932 1 18 . 1 1 2 2 SER N N 2 113.417 113.417 114.643 -1.226 18842 10933 1 18 . 1 1 2 2 SER HA H 2 4.355 4.355 4.633 -0.278 18842 10934 1 18 . 1 1 2 2 SER CA C 2 58.647 58.647 59.514 -0.867 18842 10935 1 18 . 1 1 2 2 SER CB C 2 63.504 63.504 63.720 -0.216 18842 10936 1 18 . 1 1 2 2 SER H H 2 8.096 8.096 8.404 -0.308 18842 10937 1 18 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.882 -0.205 18842 10938 1 18 . 1 1 3 3 HIS C C 3 173.601 173.601 173.470 0.131 18842 10939 1 18 . 1 1 3 3 HIS CA C 3 56.229 56.229 52.584 3.645 18842 10940 1 18 . 1 1 3 3 HIS CB C 3 31.323 31.323 27.294 4.029 18842 10941 1 18 . 1 1 4 4 SER N N 4 113.555 113.555 114.416 -0.861 18842 10942 1 18 . 1 1 4 4 SER HA H 4 5.483 5.483 5.032 0.451 18842 10943 1 18 . 1 1 4 4 SER C C 4 173.624 173.624 173.044 0.580 18842 10944 1 18 . 1 1 4 4 SER CA C 4 56.904 56.904 58.253 -1.349 18842 10945 1 18 . 1 1 4 4 SER CB C 4 65.900 65.900 65.533 0.367 18842 10946 1 18 . 1 1 4 4 SER H H 4 7.865 7.865 7.604 0.261 18842 10947 1 18 . 1 1 5 5 GLY N N 5 107.050 107.050 108.303 -1.253 18842 10948 1 18 . 1 1 5 5 GLY C C 5 170.915 170.915 172.506 -1.591 18842 10949 1 18 . 1 1 5 5 GLY CA C 5 45.417 45.417 43.899 1.518 18842 10950 1 18 . 1 1 5 5 GLY H H 5 8.370 8.370 8.867 -0.497 18842 10951 1 18 . 1 1 6 6 ALA N N 6 125.347 125.347 123.960 1.387 18842 10952 1 18 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.655 0.298 18842 10953 1 18 . 1 1 6 6 ALA C C 6 176.816 176.816 176.247 0.569 18842 10954 1 18 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.007 0.598 18842 10955 1 18 . 1 1 6 6 ALA CB C 6 19.373 19.373 18.886 0.487 18842 10956 1 18 . 1 1 6 6 ALA H H 6 8.671 8.671 8.493 0.178 18842 10957 1 18 . 1 1 7 7 ALA N N 7 120.077 120.077 125.875 -5.798 18842 10958 1 18 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.593 0.069 18842 10959 1 18 . 1 1 7 7 ALA C C 7 176.697 176.697 176.026 0.671 18842 10960 1 18 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.607 2.061 18842 10961 1 18 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.690 2.358 18842 10962 1 18 . 1 1 7 7 ALA H H 7 8.391 8.391 7.950 0.441 18842 10963 1 18 . 1 1 8 8 ILE N N 8 125.517 125.517 118.301 7.216 18842 10964 1 18 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.222 -0.235 18842 10965 1 18 . 1 1 8 8 ILE C C 8 175.327 175.327 174.886 0.441 18842 10966 1 18 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.355 -0.511 18842 10967 1 18 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.642 -1.053 18842 10968 1 18 . 1 1 8 8 ILE H H 8 9.383 9.383 8.057 1.326 18842 10969 1 18 . 1 1 9 9 PHE N N 9 128.853 128.853 125.513 3.340 18842 10970 1 18 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.639 -0.322 18842 10971 1 18 . 1 1 9 9 PHE C C 9 173.920 173.920 174.684 -0.764 18842 10972 1 18 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.193 -0.075 18842 10973 1 18 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.022 -2.197 18842 10974 1 18 . 1 1 9 9 PHE H H 9 8.467 8.467 9.198 -0.731 18842 10975 1 18 . 1 1 10 10 GLU N N 10 126.396 126.396 127.263 -0.867 18842 10976 1 18 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.641 -0.439 18842 10977 1 18 . 1 1 10 10 GLU C C 10 175.226 175.226 175.417 -0.191 18842 10978 1 18 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.371 -0.691 18842 10979 1 18 . 1 1 10 10 GLU CB C 10 26.695 26.695 28.003 -1.308 18842 10980 1 18 . 1 1 10 10 GLU H H 10 8.769 8.769 9.063 -0.294 18842 10981 1 18 . 1 1 11 11 LYS N N 11 105.585 105.585 110.727 -5.142 18842 10982 1 18 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.917 -0.515 18842 10983 1 18 . 1 1 11 11 LYS C C 11 175.596 175.596 175.153 0.443 18842 10984 1 18 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.602 0.846 18842 10985 1 18 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.368 -1.234 18842 10986 1 18 . 1 1 11 11 LYS H H 11 7.931 7.931 8.277 -0.346 18842 10987 1 18 . 1 1 12 12 VAL N N 12 123.819 123.819 121.522 2.297 18842 10988 1 18 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.383 0.034 18842 10989 1 18 . 1 1 12 12 VAL C C 12 175.188 175.188 174.458 0.730 18842 10990 1 18 . 1 1 12 12 VAL CA C 12 61.685 61.685 59.773 1.913 18842 10991 1 18 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.359 -0.180 18842 10992 1 18 . 1 1 12 12 VAL H H 12 7.954 7.954 7.337 0.617 18842 10993 1 18 . 1 1 13 13 SER N N 13 121.981 121.981 123.275 -1.294 18842 10994 1 18 . 1 1 13 13 SER HA H 13 4.624 4.624 4.947 -0.323 18842 10995 1 18 . 1 1 13 13 SER C C 13 175.408 175.408 174.409 0.999 18842 10996 1 18 . 1 1 13 13 SER CA C 13 59.766 59.766 57.625 2.141 18842 10997 1 18 . 1 1 13 13 SER CB C 13 63.591 63.591 64.281 -0.690 18842 10998 1 18 . 1 1 13 13 SER H H 13 8.895 8.895 8.662 0.233 18842 10999 1 18 . 1 1 14 14 GLY N N 14 113.215 113.215 111.550 1.665 18842 11000 1 18 . 1 1 14 14 GLY C C 14 172.790 172.790 172.402 0.388 18842 11001 1 18 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.525 2.012 18842 11002 1 18 . 1 1 14 14 GLY H H 14 8.287 8.287 9.547 -1.260 18842 11003 1 18 . 1 1 15 15 ILE N N 15 123.244 123.244 119.735 3.509 18842 11004 1 18 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.380 0.440 18842 11005 1 18 . 1 1 15 15 ILE C C 15 175.417 175.417 174.106 1.311 18842 11006 1 18 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.495 -0.192 18842 11007 1 18 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.082 1.714 18842 11008 1 18 . 1 1 15 15 ILE H H 15 8.330 8.330 7.578 0.752 18842 11009 1 18 . 1 1 16 16 ILE N N 16 127.640 127.640 128.699 -1.059 18842 11010 1 18 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.296 0.671 18842 11011 1 18 . 1 1 16 16 ILE C C 16 173.248 173.248 173.717 -0.469 18842 11012 1 18 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.001 -0.189 18842 11013 1 18 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.295 2.428 18842 11014 1 18 . 1 1 16 16 ILE H H 16 9.438 9.438 9.227 0.211 18842 11015 1 18 . 1 1 17 17 ALA N N 17 127.760 127.760 130.753 -2.993 18842 11016 1 18 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.849 0.256 18842 11017 1 18 . 1 1 17 17 ALA C C 17 177.510 177.510 175.393 2.117 18842 11018 1 18 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.179 1.266 18842 11019 1 18 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.583 -0.422 18842 11020 1 18 . 1 1 17 17 ALA H H 17 8.968 8.968 8.510 0.458 18842 11021 1 18 . 1 1 18 18 ILE N N 18 122.269 122.269 122.809 -0.540 18842 11022 1 18 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.373 0.218 18842 11023 1 18 . 1 1 18 18 ILE C C 18 174.334 174.334 175.562 -1.228 18842 11024 1 18 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.221 0.435 18842 11025 1 18 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.343 0.721 18842 11026 1 18 . 1 1 18 18 ILE H H 18 8.665 8.665 8.423 0.242 18842 11027 1 18 . 1 1 19 19 ASN N N 19 127.568 127.568 126.895 0.673 18842 11028 1 18 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.694 0.386 18842 11029 1 18 . 1 1 19 19 ASN C C 19 174.784 174.784 175.273 -0.489 18842 11030 1 18 . 1 1 19 19 ASN CA C 19 51.638 51.638 53.235 -1.597 18842 11031 1 18 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.639 0.952 18842 11032 1 18 . 1 1 19 19 ASN H H 19 9.378 9.378 8.880 0.498 18842 11033 1 18 . 1 1 20 20 GLU N N 20 121.587 121.587 124.320 -2.733 18842 11034 1 18 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.406 0.297 18842 11035 1 18 . 1 1 20 20 GLU C C 20 176.152 176.152 175.623 0.529 18842 11036 1 18 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.169 -1.278 18842 11037 1 18 . 1 1 20 20 GLU CB C 20 30.867 30.867 30.166 0.701 18842 11038 1 18 . 1 1 20 20 GLU H H 20 9.046 9.046 7.919 1.127 18842 11039 1 18 . 1 1 21 21 ASP N N 21 121.077 121.077 117.237 3.840 18842 11040 1 18 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.816 -0.197 18842 11041 1 18 . 1 1 21 21 ASP C C 21 175.688 175.688 176.671 -0.983 18842 11042 1 18 . 1 1 21 21 ASP CA C 21 55.512 55.512 53.892 1.620 18842 11043 1 18 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.369 -0.893 18842 11044 1 18 . 1 1 21 21 ASP H H 21 8.724 8.724 8.360 0.364 18842 11045 1 18 . 1 1 22 22 VAL N N 22 113.035 113.035 115.407 -2.372 18842 11046 1 18 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.412 -0.094 18842 11047 1 18 . 1 1 22 22 VAL C C 22 173.445 173.445 175.822 -2.377 18842 11048 1 18 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.245 -1.196 18842 11049 1 18 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.210 0.812 18842 11050 1 18 . 1 1 22 22 VAL H H 22 6.844 6.844 7.236 -0.392 18842 11051 1 18 . 1 1 23 23 SER N N 23 114.945 114.945 114.903 0.042 18842 11052 1 18 . 1 1 23 23 SER HA H 23 4.735 4.735 4.473 0.262 18842 11053 1 18 . 1 1 23 23 SER CA C 23 53.765 53.765 60.741 -6.976 18842 11054 1 18 . 1 1 23 23 SER CB C 23 64.743 64.743 62.140 2.603 18842 11055 1 18 . 1 1 23 23 SER H H 23 8.046 8.046 8.566 -0.520 18842 11056 1 18 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.558 0.210 18842 11057 1 18 . 1 1 24 24 PRO C C 24 174.807 174.807 175.780 -0.973 18842 11058 1 18 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.876 0.884 18842 11059 1 18 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.920 2.821 18842 11060 1 18 . 1 1 25 25 ALA N N 25 120.415 120.415 128.809 -8.394 18842 11061 1 18 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.367 0.148 18842 11062 1 18 . 1 1 25 25 ALA C C 25 175.790 175.790 177.036 -1.246 18842 11063 1 18 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.825 -0.291 18842 11064 1 18 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.336 1.246 18842 11065 1 18 . 1 1 25 25 ALA H H 25 7.979 7.979 8.496 -0.517 18842 11066 1 18 . 1 1 26 26 GLU N N 26 115.395 115.395 122.575 -7.180 18842 11067 1 18 . 1 1 26 26 GLU HA H 26 5.039 5.039 4.989 0.050 18842 11068 1 18 . 1 1 26 26 GLU C C 26 174.619 174.619 175.262 -0.643 18842 11069 1 18 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.278 -0.249 18842 11070 1 18 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.353 1.263 18842 11071 1 18 . 1 1 26 26 GLU H H 26 7.851 7.851 8.166 -0.315 18842 11072 1 18 . 1 1 27 27 LEU N N 27 124.661 124.661 122.693 1.968 18842 11073 1 18 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.838 0.188 18842 11074 1 18 . 1 1 27 27 LEU C C 27 174.740 174.740 174.941 -0.201 18842 11075 1 18 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.137 -0.356 18842 11076 1 18 . 1 1 27 27 LEU CB C 27 45.609 45.609 45.161 0.448 18842 11077 1 18 . 1 1 27 27 LEU H H 27 8.898 8.898 9.290 -0.392 18842 11078 1 18 . 1 1 28 28 THR N N 28 121.731 121.731 124.695 -2.964 18842 11079 1 18 . 1 1 28 28 THR HA H 28 5.207 5.207 5.015 0.192 18842 11080 1 18 . 1 1 28 28 THR C C 28 172.661 172.661 173.613 -0.952 18842 11081 1 18 . 1 1 28 28 THR CA C 28 61.178 61.178 62.074 -0.896 18842 11082 1 18 . 1 1 28 28 THR CB C 28 71.422 71.422 69.325 2.097 18842 11083 1 18 . 1 1 28 28 THR H H 28 9.283 9.283 9.193 0.090 18842 11084 1 18 . 1 1 29 29 TRP N N 29 128.950 128.950 131.246 -2.296 18842 11085 1 18 . 1 1 29 29 TRP HA H 29 5.431 5.431 4.993 0.438 18842 11086 1 18 . 1 1 29 29 TRP C C 29 173.939 173.939 174.255 -0.316 18842 11087 1 18 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.163 -0.381 18842 11088 1 18 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.339 1.838 18842 11089 1 18 . 1 1 29 29 TRP H H 29 9.399 9.399 9.513 -0.114 18842 11090 1 18 . 1 1 30 30 ARG N N 30 126.402 126.402 130.393 -3.991 18842 11091 1 18 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.368 0.461 18842 11092 1 18 . 1 1 30 30 ARG C C 30 174.751 174.751 175.732 -0.981 18842 11093 1 18 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.122 -0.733 18842 11094 1 18 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.752 1.067 18842 11095 1 18 . 1 1 30 30 ARG H H 30 7.613 7.613 9.129 -1.516 18842 11096 1 18 . 1 1 31 31 SER N N 31 118.353 118.353 123.139 -4.786 18842 11097 1 18 . 1 1 31 31 SER HA H 31 4.138 4.138 3.769 0.369 18842 11098 1 18 . 1 1 31 31 SER C C 31 176.426 176.426 175.450 0.976 18842 11099 1 18 . 1 1 31 31 SER CA C 31 58.013 58.013 58.477 -0.464 18842 11100 1 18 . 1 1 31 31 SER CB C 31 64.081 64.081 63.273 0.808 18842 11101 1 18 . 1 1 31 31 SER H H 31 8.086 8.086 8.364 -0.278 18842 11102 1 18 . 1 1 32 32 THR N N 32 119.213 119.213 114.304 4.909 18842 11103 1 18 . 1 1 32 32 THR HA H 32 3.856 3.856 4.077 -0.221 18842 11104 1 18 . 1 1 32 32 THR C C 32 175.664 175.664 175.467 0.197 18842 11105 1 18 . 1 1 32 32 THR CA C 32 66.142 66.142 64.717 1.425 18842 11106 1 18 . 1 1 32 32 THR CB C 32 68.446 68.446 68.757 -0.311 18842 11107 1 18 . 1 1 32 32 THR H H 32 8.556 8.556 8.227 0.329 18842 11108 1 18 . 1 1 33 33 ASP N N 33 117.260 117.260 121.605 -4.345 18842 11109 1 18 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.580 0.047 18842 11110 1 18 . 1 1 33 33 ASP C C 33 177.098 177.098 176.939 0.159 18842 11111 1 18 . 1 1 33 33 ASP CA C 33 54.367 54.367 55.143 -0.776 18842 11112 1 18 . 1 1 33 33 ASP H H 33 8.236 8.236 8.370 -0.134 18842 11113 1 18 . 1 1 34 34 GLY N N 34 109.136 109.136 106.744 2.392 18842 11114 1 18 . 1 1 34 34 GLY C C 34 173.778 173.778 174.121 -0.343 18842 11115 1 18 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.904 0.495 18842 11116 1 18 . 1 1 34 34 GLY H H 34 7.935 7.935 8.185 -0.250 18842 11117 1 18 . 1 1 35 35 ASP N N 35 117.913 117.913 119.576 -1.663 18842 11118 1 18 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.751 -0.221 18842 11119 1 18 . 1 1 35 35 ASP C C 35 175.403 175.403 175.559 -0.156 18842 11120 1 18 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.271 0.540 18842 11121 1 18 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.700 -0.658 18842 11122 1 18 . 1 1 35 35 ASP H H 35 8.271 8.271 8.181 0.090 18842 11123 1 18 . 1 1 36 36 LYS N N 36 120.335 120.335 120.052 0.283 18842 11124 1 18 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.753 0.154 18842 11125 1 18 . 1 1 36 36 LYS C C 36 174.651 174.651 174.170 0.481 18842 11126 1 18 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.229 0.178 18842 11127 1 18 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.476 0.358 18842 11128 1 18 . 1 1 36 36 LYS H H 36 7.769 7.769 8.159 -0.390 18842 11129 1 18 . 1 1 37 37 VAL N N 37 121.484 121.484 122.371 -0.887 18842 11130 1 18 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.233 0.082 18842 11131 1 18 . 1 1 37 37 VAL C C 37 175.069 175.069 175.333 -0.264 18842 11132 1 18 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.747 0.351 18842 11133 1 18 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.495 0.563 18842 11134 1 18 . 1 1 37 37 VAL H H 37 8.582 8.582 8.598 -0.016 18842 11135 1 18 . 1 1 38 38 HIS N N 38 125.660 125.660 124.242 1.418 18842 11136 1 18 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.969 0.115 18842 11137 1 18 . 1 1 38 38 HIS C C 38 173.268 173.268 173.207 0.061 18842 11138 1 18 . 1 1 38 38 HIS CA C 38 56.068 56.068 56.119 -0.051 18842 11139 1 18 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.168 -0.080 18842 11140 1 18 . 1 1 38 38 HIS H H 38 9.621 9.621 9.006 0.615 18842 11141 1 18 . 1 1 39 39 THR N N 39 124.752 124.752 120.717 4.035 18842 11142 1 18 . 1 1 39 39 THR HA H 39 5.139 5.139 5.028 0.111 18842 11143 1 18 . 1 1 39 39 THR C C 39 173.208 173.208 172.930 0.278 18842 11144 1 18 . 1 1 39 39 THR CA C 39 61.518 61.518 61.396 0.122 18842 11145 1 18 . 1 1 39 39 THR CB C 39 70.665 70.665 70.824 -0.159 18842 11146 1 18 . 1 1 39 39 THR H H 39 8.527 8.527 7.880 0.647 18842 11147 1 18 . 1 1 40 40 VAL N N 40 126.002 126.002 126.512 -0.510 18842 11148 1 18 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.287 -0.363 18842 11149 1 18 . 1 1 40 40 VAL C C 40 174.731 174.731 174.032 0.699 18842 11150 1 18 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.655 -0.305 18842 11151 1 18 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.091 -1.726 18842 11152 1 18 . 1 1 40 40 VAL H H 40 9.388 9.388 9.251 0.137 18842 11153 1 18 . 1 1 41 41 VAL N N 41 129.872 129.872 129.087 0.785 18842 11154 1 18 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.275 -0.291 18842 11155 1 18 . 1 1 41 41 VAL C C 41 179.410 179.410 176.335 3.075 18842 11156 1 18 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.635 1.981 18842 11157 1 18 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.876 -0.888 18842 11158 1 18 . 1 1 41 41 VAL H H 41 9.054 9.054 8.795 0.259 18842 11159 1 18 . 1 1 42 42 LEU N N 42 130.076 130.076 128.435 1.641 18842 11160 1 18 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.092 -0.138 18842 11161 1 18 . 1 1 42 42 LEU C C 42 176.121 176.121 178.143 -2.022 18842 11162 1 18 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.176 1.446 18842 11163 1 18 . 1 1 42 42 LEU CB C 42 40.823 40.823 41.060 -0.237 18842 11164 1 18 . 1 1 42 42 LEU H H 42 9.193 9.193 8.727 0.466 18842 11165 1 18 . 1 1 43 43 SER N N 43 109.703 109.703 112.447 -2.744 18842 11166 1 18 . 1 1 43 43 SER HA H 43 3.944 3.944 2.602 1.342 18842 11167 1 18 . 1 1 43 43 SER C C 43 175.455 175.455 175.697 -0.242 18842 11168 1 18 . 1 1 43 43 SER CA C 43 59.442 59.442 60.433 -0.991 18842 11169 1 18 . 1 1 43 43 SER CB C 43 61.299 61.299 62.767 -1.468 18842 11170 1 18 . 1 1 43 43 SER H H 43 6.961 6.961 8.371 -1.410 18842 11171 1 18 . 1 1 44 44 THR N N 44 110.409 110.409 114.685 -4.276 18842 11172 1 18 . 1 1 44 44 THR HA H 44 4.519 4.519 4.209 0.310 18842 11173 1 18 . 1 1 44 44 THR C C 44 173.493 173.493 175.436 -1.943 18842 11174 1 18 . 1 1 44 44 THR CA C 44 62.076 62.076 63.442 -1.366 18842 11175 1 18 . 1 1 44 44 THR CB C 44 69.788 69.788 69.575 0.213 18842 11176 1 18 . 1 1 44 44 THR H H 44 7.657 7.657 8.076 -0.419 18842 11177 1 18 . 1 1 45 45 ILE N N 45 120.972 120.972 125.466 -4.494 18842 11178 1 18 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.098 0.227 18842 11179 1 18 . 1 1 45 45 ILE C C 45 173.882 173.882 176.392 -2.510 18842 11180 1 18 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.468 -3.428 18842 11181 1 18 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.814 0.686 18842 11182 1 18 . 1 1 45 45 ILE H H 45 7.089 7.089 7.828 -0.739 18842 11183 1 18 . 1 1 46 46 ASP N N 46 126.759 126.759 126.977 -0.218 18842 11184 1 18 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.349 0.313 18842 11185 1 18 . 1 1 46 46 ASP C C 46 175.424 175.424 175.724 -0.300 18842 11186 1 18 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.316 -1.299 18842 11187 1 18 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.634 2.949 18842 11188 1 18 . 1 1 46 46 ASP H H 46 9.372 9.372 8.398 0.974 18842 11189 1 18 . 1 1 47 47 LYS N N 47 111.663 111.663 111.560 0.103 18842 11190 1 18 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.448 0.305 18842 11191 1 18 . 1 1 47 47 LYS C C 47 172.574 172.574 173.903 -1.329 18842 11192 1 18 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.208 -0.593 18842 11193 1 18 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.128 2.068 18842 11194 1 18 . 1 1 47 47 LYS H H 47 7.522 7.522 7.282 0.240 18842 11195 1 18 . 1 1 48 48 LEU N N 48 123.295 123.295 116.146 7.149 18842 11196 1 18 . 1 1 48 48 LEU HA H 48 5.143 5.143 5.494 -0.351 18842 11197 1 18 . 1 1 48 48 LEU C C 48 174.770 174.770 175.160 -0.390 18842 11198 1 18 . 1 1 48 48 LEU CA C 48 52.936 52.936 52.907 0.028 18842 11199 1 18 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.804 0.776 18842 11200 1 18 . 1 1 48 48 LEU H H 48 8.938 8.938 8.435 0.503 18842 11201 1 18 . 1 1 49 49 GLN N N 49 120.979 120.979 119.501 1.478 18842 11202 1 18 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.766 0.746 18842 11203 1 18 . 1 1 49 49 GLN C C 49 174.626 174.626 174.132 0.494 18842 11204 1 18 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.345 -0.714 18842 11205 1 18 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.038 1.051 18842 11206 1 18 . 1 1 49 49 GLN H H 49 9.246 9.246 8.856 0.390 18842 11207 1 18 . 1 1 50 50 ALA N N 50 122.440 122.440 122.446 -0.006 18842 11208 1 18 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.523 1.285 18842 11209 1 18 . 1 1 50 50 ALA C C 50 177.277 177.277 176.660 0.617 18842 11210 1 18 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.615 -0.994 18842 11211 1 18 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.523 3.000 18842 11212 1 18 . 1 1 50 50 ALA H H 50 9.365 9.365 8.223 1.142 18842 11213 1 18 . 1 1 51 51 THR N N 51 114.289 114.289 117.267 -2.978 18842 11214 1 18 . 1 1 51 51 THR HA H 51 4.615 4.615 4.268 0.347 18842 11215 1 18 . 1 1 51 51 THR CA C 51 59.197 59.197 60.899 -1.702 18842 11216 1 18 . 1 1 51 51 THR CB C 51 67.937 67.937 67.660 0.277 18842 11217 1 18 . 1 1 51 51 THR H H 51 8.368 8.368 8.138 0.230 18842 11218 1 18 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.303 0.228 18842 11219 1 18 . 1 1 52 52 PRO C C 52 178.380 178.380 177.875 0.505 18842 11220 1 18 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.810 -0.435 18842 11221 1 18 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.102 0.538 18842 11222 1 18 . 1 1 53 53 ALA N N 53 126.235 126.235 123.474 2.761 18842 11223 1 18 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.114 -0.084 18842 11224 1 18 . 1 1 53 53 ALA C C 53 177.700 177.700 178.395 -0.695 18842 11225 1 18 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.208 0.587 18842 11226 1 18 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.798 -0.779 18842 11227 1 18 . 1 1 53 53 ALA H H 53 9.122 9.122 8.379 0.743 18842 11228 1 18 . 1 1 54 54 SER N N 54 107.216 107.216 112.862 -5.646 18842 11229 1 18 . 1 1 54 54 SER HA H 54 4.238 4.238 4.372 -0.134 18842 11230 1 18 . 1 1 54 54 SER C C 54 174.957 174.957 174.381 0.576 18842 11231 1 18 . 1 1 54 54 SER CA C 54 58.260 58.260 59.164 -0.904 18842 11232 1 18 . 1 1 54 54 SER CB C 54 63.120 63.120 63.244 -0.124 18842 11233 1 18 . 1 1 54 54 SER H H 54 7.620 7.620 8.235 -0.615 18842 11234 1 18 . 1 1 55 55 SER N N 55 117.523 117.523 118.086 -0.563 18842 11235 1 18 . 1 1 55 55 SER HA H 55 4.469 4.469 4.529 -0.060 18842 11236 1 18 . 1 1 55 55 SER C C 55 174.952 174.952 173.949 1.003 18842 11237 1 18 . 1 1 55 55 SER CA C 55 57.500 57.500 57.940 -0.439 18842 11238 1 18 . 1 1 55 55 SER CB C 55 63.801 63.801 64.187 -0.386 18842 11239 1 18 . 1 1 55 55 SER H H 55 7.676 7.676 7.751 -0.075 18842 11240 1 18 . 1 1 56 56 GLU N N 56 124.557 124.557 123.648 0.909 18842 11241 1 18 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.141 0.038 18842 11242 1 18 . 1 1 56 56 GLU C C 56 177.924 177.924 176.597 1.327 18842 11243 1 18 . 1 1 56 56 GLU CA C 56 57.661 57.661 57.868 -0.207 18842 11244 1 18 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.160 -0.331 18842 11245 1 18 . 1 1 56 56 GLU H H 56 8.844 8.844 8.809 0.035 18842 11246 1 18 . 1 1 57 57 LYS N N 57 119.220 119.220 119.303 -0.083 18842 11247 1 18 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.366 -0.070 18842 11248 1 18 . 1 1 57 57 LYS C C 57 175.667 175.667 176.015 -0.348 18842 11249 1 18 . 1 1 57 57 LYS CA C 57 55.855 55.855 55.310 0.545 18842 11250 1 18 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.829 1.026 18842 11251 1 18 . 1 1 57 57 LYS H H 57 8.259 8.259 7.804 0.455 18842 11252 1 18 . 1 1 58 58 MET N N 58 123.270 123.270 123.388 -0.118 18842 11253 1 18 . 1 1 58 58 MET HA H 58 4.288 4.288 4.700 -0.412 18842 11254 1 18 . 1 1 58 58 MET C C 58 174.107 174.107 175.340 -1.233 18842 11255 1 18 . 1 1 58 58 MET CA C 58 55.067 55.067 53.974 1.093 18842 11256 1 18 . 1 1 58 58 MET CB C 58 35.381 35.381 32.477 2.904 18842 11257 1 18 . 1 1 58 58 MET H H 58 8.811 8.811 8.674 0.137 18842 11258 1 18 . 1 1 59 59 MET N N 59 120.490 120.490 122.448 -1.958 18842 11259 1 18 . 1 1 59 59 MET HA H 59 5.873 5.873 5.071 0.802 18842 11260 1 18 . 1 1 59 59 MET C C 59 174.459 174.459 173.863 0.596 18842 11261 1 18 . 1 1 59 59 MET CA C 59 54.903 54.903 55.399 -0.496 18842 11262 1 18 . 1 1 59 59 MET CB C 59 39.231 39.231 37.316 1.915 18842 11263 1 18 . 1 1 59 59 MET H H 59 8.395 8.395 9.390 -0.995 18842 11264 1 18 . 1 1 60 60 LEU N N 60 118.105 118.105 122.434 -4.329 18842 11265 1 18 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.809 0.855 18842 11266 1 18 . 1 1 60 60 LEU C C 60 175.664 175.664 175.304 0.360 18842 11267 1 18 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.726 -0.598 18842 11268 1 18 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.634 2.801 18842 11269 1 18 . 1 1 60 60 LEU H H 60 9.103 9.103 9.310 -0.207 18842 11270 1 18 . 1 1 61 61 ARG N N 61 120.757 120.757 120.828 -0.071 18842 11271 1 18 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.304 0.154 18842 11272 1 18 . 1 1 61 61 ARG C C 61 173.515 173.515 174.538 -1.023 18842 11273 1 18 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.623 0.101 18842 11274 1 18 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.630 1.502 18842 11275 1 18 . 1 1 61 61 ARG H H 61 9.287 9.287 8.453 0.834 18842 11276 1 18 . 1 1 62 62 LEU N N 62 127.139 127.139 124.506 2.633 18842 11277 1 18 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.862 0.167 18842 11278 1 18 . 1 1 62 62 LEU C C 62 175.440 175.440 175.257 0.183 18842 11279 1 18 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.600 0.800 18842 11280 1 18 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.690 -2.587 18842 11281 1 18 . 1 1 62 62 LEU H H 62 9.307 9.307 8.557 0.750 18842 11282 1 18 . 1 1 63 63 ILE N N 63 123.292 123.292 126.085 -2.793 18842 11283 1 18 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.680 -0.092 18842 11284 1 18 . 1 1 63 63 ILE C C 63 176.319 176.319 176.075 0.244 18842 11285 1 18 . 1 1 63 63 ILE CA C 63 59.387 59.387 58.904 0.483 18842 11286 1 18 . 1 1 63 63 ILE CB C 63 38.121 38.121 39.184 -1.063 18842 11287 1 18 . 1 1 63 63 ILE H H 63 8.891 8.891 8.918 -0.027 18842 11288 1 18 . 1 1 64 64 GLY N N 64 115.565 115.565 111.030 4.535 18842 11289 1 18 . 1 1 64 64 GLY C C 64 172.551 172.551 173.310 -0.759 18842 11290 1 18 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.197 2.232 18842 11291 1 18 . 1 1 64 64 GLY H H 64 9.356 9.356 7.619 1.737 18842 11292 1 18 . 1 1 65 65 LYS N N 65 119.442 119.442 120.919 -1.477 18842 11293 1 18 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.306 -0.011 18842 11294 1 18 . 1 1 65 65 LYS C C 65 176.205 176.205 176.236 -0.031 18842 11295 1 18 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.779 -0.191 18842 11296 1 18 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.875 1.478 18842 11297 1 18 . 1 1 65 65 LYS H H 65 8.361 8.361 8.242 0.119 18842 11298 1 18 . 1 1 66 66 VAL N N 66 122.131 122.131 123.966 -1.835 18842 11299 1 18 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.248 -0.162 18842 11300 1 18 . 1 1 66 66 VAL C C 66 175.265 175.265 174.980 0.285 18842 11301 1 18 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.510 0.553 18842 11302 1 18 . 1 1 66 66 VAL CB C 66 33.264 33.264 32.752 0.512 18842 11303 1 18 . 1 1 66 66 VAL H H 66 8.637 8.637 8.166 0.471 18842 11304 1 18 . 1 1 67 67 ASP N N 67 125.510 125.510 118.606 6.904 18842 11305 1 18 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.680 0.047 18842 11306 1 18 . 1 1 67 67 ASP C C 67 176.708 176.708 174.920 1.788 18842 11307 1 18 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.718 -1.578 18842 11308 1 18 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.415 -0.485 18842 11309 1 18 . 1 1 67 67 ASP H H 67 8.460 8.460 8.305 0.155 18842 11310 1 18 . 1 1 68 68 GLU N N 68 124.449 124.449 124.440 0.009 18842 11311 1 18 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.553 -0.465 18842 11312 1 18 . 1 1 68 68 GLU C C 68 177.451 177.451 176.318 1.133 18842 11313 1 18 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.597 1.258 18842 11314 1 18 . 1 1 68 68 GLU CB C 68 29.677 29.677 30.241 -0.564 18842 11315 1 18 . 1 1 68 68 GLU H H 68 8.752 8.752 8.637 0.115 18842 11316 1 18 . 1 1 69 69 SER N N 69 115.515 115.515 114.091 1.424 18842 11317 1 18 . 1 1 69 69 SER HA H 69 4.329 4.329 4.483 -0.154 18842 11318 1 18 . 1 1 69 69 SER C C 69 175.277 175.277 174.831 0.446 18842 11319 1 18 . 1 1 69 69 SER CA C 69 60.139 60.139 59.333 0.806 18842 11320 1 18 . 1 1 69 69 SER CB C 69 63.223 63.223 63.692 -0.469 18842 11321 1 18 . 1 1 69 69 SER H H 69 8.497 8.497 8.295 0.202 18842 11322 1 18 . 1 1 70 70 LYS N N 70 121.733 121.733 120.841 0.892 18842 11323 1 18 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.318 0.092 18842 11324 1 18 . 1 1 70 70 LYS C C 70 177.124 177.124 176.390 0.734 18842 11325 1 18 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.398 -1.074 18842 11326 1 18 . 1 1 70 70 LYS H H 70 7.689 7.689 7.850 -0.161 18842 11327 1 18 . 1 1 71 71 LYS N N 71 121.012 121.012 118.816 2.196 18842 11328 1 18 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.914 0.493 18842 11329 1 18 . 1 1 71 71 LYS C C 71 176.175 176.175 175.412 0.763 18842 11330 1 18 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.061 -0.449 18842 11331 1 18 . 1 1 71 71 LYS H H 71 7.750 7.750 8.428 -0.678 18842 11332 1 18 . 1 1 72 72 ARG N N 72 122.064 122.064 120.020 2.044 18842 11333 1 18 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.726 -0.125 18842 11334 1 18 . 1 1 72 72 ARG C C 72 175.228 175.228 174.984 0.244 18842 11335 1 18 . 1 1 72 72 ARG CA C 72 54.929 54.929 54.331 0.598 18842 11336 1 18 . 1 1 72 72 ARG CB C 72 32.325 32.325 31.631 0.694 18842 11337 1 18 . 1 1 72 72 ARG H H 72 8.420 8.420 8.173 0.247 18842 11338 1 18 . 1 1 73 73 LYS N N 73 121.217 121.217 119.886 1.331 18842 11339 1 18 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.608 0.325 18842 11340 1 18 . 1 1 73 73 LYS C C 73 177.010 177.010 176.687 0.323 18842 11341 1 18 . 1 1 73 73 LYS CA C 73 55.205 55.205 56.062 -0.856 18842 11342 1 18 . 1 1 73 73 LYS CB C 73 34.680 34.680 32.882 1.798 18842 11343 1 18 . 1 1 73 73 LYS H H 73 8.401 8.401 8.446 -0.045 18842 11344 1 18 . 1 1 74 74 ASP N N 74 122.025 122.025 119.744 2.281 18842 11345 1 18 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.840 -0.130 18842 11346 1 18 . 1 1 74 74 ASP C C 74 177.475 177.475 175.471 2.004 18842 11347 1 18 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.940 -1.184 18842 11348 1 18 . 1 1 74 74 ASP CB C 74 41.022 41.022 40.558 0.464 18842 11349 1 18 . 1 1 74 74 ASP H H 74 8.582 8.582 8.439 0.143 18842 11350 1 18 . 1 1 75 75 ASN N N 75 116.228 116.228 115.411 0.817 18842 11351 1 18 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.466 0.070 18842 11352 1 18 . 1 1 75 75 ASN C C 75 175.999 175.999 175.128 0.871 18842 11353 1 18 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.549 0.304 18842 11354 1 18 . 1 1 75 75 ASN CB C 75 38.132 38.132 36.929 1.203 18842 11355 1 18 . 1 1 75 75 ASN H H 75 8.433 8.433 8.752 -0.319 18842 11356 1 18 . 1 1 76 76 GLU N N 76 118.958 118.958 118.095 0.863 18842 11357 1 18 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.500 -0.119 18842 11358 1 18 . 1 1 76 76 GLU C C 76 176.556 176.556 177.067 -0.511 18842 11359 1 18 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.355 -0.192 18842 11360 1 18 . 1 1 76 76 GLU H H 76 8.162 8.162 8.326 -0.164 18842 11361 1 18 . 1 1 77 77 GLY N N 77 108.062 108.062 108.013 0.049 18842 11362 1 18 . 1 1 77 77 GLY C C 77 174.247 174.247 172.874 1.373 18842 11363 1 18 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.645 0.565 18842 11364 1 18 . 1 1 77 77 GLY H H 77 8.106 8.106 8.071 0.035 18842 11365 1 18 . 1 1 78 78 ASN N N 78 119.929 119.929 118.385 1.544 18842 11366 1 18 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.857 -0.111 18842 11367 1 18 . 1 1 78 78 ASN C C 78 175.035 175.035 174.185 0.850 18842 11368 1 18 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.398 0.397 18842 11369 1 18 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.161 -1.216 18842 11370 1 18 . 1 1 78 78 ASN H H 78 8.569 8.569 8.190 0.379 18842 11371 1 18 . 1 1 79 79 GLU N N 79 121.658 121.658 125.026 -3.368 18842 11372 1 18 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.257 0.224 18842 11373 1 18 . 1 1 79 79 GLU C C 79 176.302 176.302 176.191 0.111 18842 11374 1 18 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.595 -0.933 18842 11375 1 18 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.214 1.429 18842 11376 1 18 . 1 1 79 79 GLU H H 79 8.691 8.691 8.745 -0.054 18842 11377 1 18 . 1 1 80 80 VAL N N 80 123.997 123.997 119.597 4.400 18842 11378 1 18 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.619 -0.364 18842 11379 1 18 . 1 1 80 80 VAL C C 80 175.544 175.544 174.348 1.196 18842 11380 1 18 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.688 1.605 18842 11381 1 18 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.873 -1.330 18842 11382 1 18 . 1 1 80 80 VAL H H 80 8.581 8.581 8.329 0.252 18842 11383 1 18 . 1 1 81 81 VAL N N 81 126.545 126.545 119.377 7.168 18842 11384 1 18 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.487 -0.061 18842 11385 1 18 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.445 0.106 18842 11386 1 18 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.811 1.083 18842 11387 1 18 . 1 1 81 81 VAL H H 81 8.407 8.407 8.271 0.136 18842 11388 1 18 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.344 0.088 18842 11389 1 18 . 1 1 82 82 PRO C C 82 176.036 176.036 176.879 -0.843 18842 11390 1 18 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.132 -0.567 18842 11391 1 18 . 1 1 83 83 LYS N N 83 121.727 121.727 126.657 -4.930 18842 11392 1 18 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.278 0.273 18842 11393 1 18 . 1 1 83 83 LYS CA C 83 53.779 53.779 56.111 -2.332 18842 11394 1 18 . 1 1 83 83 LYS H H 83 8.316 8.316 8.360 -0.044 18842 11395 1 18 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.435 -0.142 18842 11396 1 18 . 1 1 84 84 PRO C C 84 176.883 176.883 175.853 1.030 18842 11397 1 18 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.357 0.119 18842 11398 1 18 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.478 -0.037 18842 11399 1 18 . 1 1 85 85 GLN N N 85 121.423 121.423 118.890 2.533 18842 11400 1 18 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.210 -0.065 18842 11401 1 18 . 1 1 85 85 GLN C C 85 175.026 175.026 174.941 0.085 18842 11402 1 18 . 1 1 85 85 GLN CA C 85 56.041 56.041 55.789 0.252 18842 11403 1 18 . 1 1 85 85 GLN CB C 85 29.809 29.809 29.056 0.753 18842 11404 1 18 . 1 1 85 85 GLN H H 85 8.471 8.471 8.293 0.178 18842 11405 1 18 . 1 1 86 86 ARG N N 86 120.972 120.972 125.879 -4.907 18842 11406 1 18 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.703 0.484 18842 11407 1 18 . 1 1 86 86 ARG C C 86 175.091 175.091 175.581 -0.490 18842 11408 1 18 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.974 -0.582 18842 11409 1 18 . 1 1 86 86 ARG CB C 86 33.428 33.428 31.128 2.300 18842 11410 1 18 . 1 1 86 86 ARG H H 86 8.265 8.265 8.465 -0.200 18842 11411 1 18 . 1 1 87 87 HIS N N 87 120.390 120.390 126.057 -5.667 18842 11412 1 18 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.633 0.112 18842 11413 1 18 . 1 1 87 87 HIS C C 87 173.730 173.730 173.855 -0.125 18842 11414 1 18 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.638 -0.431 18842 11415 1 18 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.431 3.166 18842 11416 1 18 . 1 1 87 87 HIS H H 87 8.590 8.590 9.014 -0.424 18842 11417 1 18 . 1 1 88 88 MET N N 88 126.611 126.611 125.441 1.170 18842 11418 1 18 . 1 1 88 88 MET HA H 88 5.320 5.320 4.382 0.938 18842 11419 1 18 . 1 1 88 88 MET C C 88 173.520 173.520 174.022 -0.502 18842 11420 1 18 . 1 1 88 88 MET CA C 88 54.782 54.782 55.356 -0.574 18842 11421 1 18 . 1 1 88 88 MET CB C 88 35.451 35.451 33.038 2.413 18842 11422 1 18 . 1 1 88 88 MET H H 88 8.716 8.716 8.733 -0.017 18842 11423 1 18 . 1 1 89 89 PHE N N 89 122.328 122.328 125.362 -3.034 18842 11424 1 18 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.499 -0.289 18842 11425 1 18 . 1 1 89 89 PHE C C 89 174.448 174.448 175.145 -0.697 18842 11426 1 18 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.769 0.683 18842 11427 1 18 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.684 2.405 18842 11428 1 18 . 1 1 89 89 PHE H H 89 8.989 8.989 9.165 -0.176 18842 11429 1 18 . 1 1 90 90 SER N N 90 116.094 116.094 118.583 -2.489 18842 11430 1 18 . 1 1 90 90 SER HA H 90 5.681 5.681 4.918 0.763 18842 11431 1 18 . 1 1 90 90 SER C C 90 173.094 173.094 173.683 -0.589 18842 11432 1 18 . 1 1 90 90 SER CA C 90 56.645 56.645 57.076 -0.431 18842 11433 1 18 . 1 1 90 90 SER CB C 90 64.824 64.824 64.282 0.542 18842 11434 1 18 . 1 1 90 90 SER H H 90 8.680 8.680 8.470 0.210 18842 11435 1 18 . 1 1 91 91 PHE N N 91 120.812 120.812 126.095 -5.283 18842 11436 1 18 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.607 0.287 18842 11437 1 18 . 1 1 91 91 PHE C C 91 174.500 174.500 175.840 -1.340 18842 11438 1 18 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.719 -0.317 18842 11439 1 18 . 1 1 91 91 PHE CB C 91 43.327 43.327 40.349 2.978 18842 11440 1 18 . 1 1 91 91 PHE H H 91 9.050 9.050 8.341 0.709 18842 11441 1 18 . 1 1 92 92 ASN N N 92 115.876 115.876 120.113 -4.237 18842 11442 1 18 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.776 0.327 18842 11443 1 18 . 1 1 92 92 ASN C C 92 174.901 174.901 174.636 0.265 18842 11444 1 18 . 1 1 92 92 ASN CA C 92 52.207 52.207 52.329 -0.122 18842 11445 1 18 . 1 1 92 92 ASN CB C 92 39.864 39.864 38.816 1.048 18842 11446 1 18 . 1 1 92 92 ASN H H 92 9.135 9.135 8.851 0.284 18842 11447 1 18 . 1 1 93 93 ASN N N 93 118.335 118.335 116.600 1.735 18842 11448 1 18 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.889 0.012 18842 11449 1 18 . 1 1 93 93 ASN C C 93 174.579 174.579 174.462 0.117 18842 11450 1 18 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.730 0.298 18842 11451 1 18 . 1 1 93 93 ASN CB C 93 41.802 41.802 41.333 0.469 18842 11452 1 18 . 1 1 93 93 ASN H H 93 7.271 7.271 7.732 -0.461 18842 11453 1 18 . 1 1 94 94 ARG N N 94 129.027 129.027 120.767 8.260 18842 11454 1 18 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.350 -0.485 18842 11455 1 18 . 1 1 94 94 ARG C C 94 176.782 176.782 176.816 -0.034 18842 11456 1 18 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.711 0.340 18842 11457 1 18 . 1 1 94 94 ARG H H 94 9.334 9.334 8.738 0.596 18842 11458 1 18 . 1 1 95 95 THR N N 95 115.756 115.756 116.065 -0.309 18842 11459 1 18 . 1 1 95 95 THR HA H 95 4.028 4.028 4.157 -0.129 18842 11460 1 18 . 1 1 95 95 THR C C 95 176.742 176.742 176.350 0.392 18842 11461 1 18 . 1 1 95 95 THR CA C 95 66.325 66.325 66.575 -0.250 18842 11462 1 18 . 1 1 95 95 THR CB C 95 68.281 68.281 68.177 0.103 18842 11463 1 18 . 1 1 95 95 THR H H 95 8.000 8.000 7.955 0.045 18842 11464 1 18 . 1 1 96 96 VAL N N 96 121.852 121.852 120.387 1.465 18842 11465 1 18 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.798 -0.002 18842 11466 1 18 . 1 1 96 96 VAL C C 96 177.587 177.587 177.108 0.479 18842 11467 1 18 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.242 -0.284 18842 11468 1 18 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.987 0.040 18842 11469 1 18 . 1 1 96 96 VAL H H 96 7.609 7.609 8.128 -0.519 18842 11470 1 18 . 1 1 97 97 MET N N 97 117.469 117.469 118.639 -1.170 18842 11471 1 18 . 1 1 97 97 MET HA H 97 2.337 2.337 4.224 -1.887 18842 11472 1 18 . 1 1 97 97 MET C C 97 177.257 177.257 177.390 -0.133 18842 11473 1 18 . 1 1 97 97 MET H H 97 7.337 7.337 7.523 -0.186 18842 11474 1 18 . 1 1 98 98 ASP N N 98 118.162 118.162 119.320 -1.158 18842 11475 1 18 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.386 -0.070 18842 11476 1 18 . 1 1 98 98 ASP C C 98 178.771 178.771 178.806 -0.035 18842 11477 1 18 . 1 1 98 98 ASP CA C 98 57.554 57.554 58.014 -0.460 18842 11478 1 18 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.354 -0.575 18842 11479 1 18 . 1 1 98 98 ASP H H 98 8.729 8.729 7.967 0.762 18842 11480 1 18 . 1 1 99 99 ASN N N 99 120.303 120.303 116.981 3.322 18842 11481 1 18 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.609 -0.140 18842 11482 1 18 . 1 1 99 99 ASN C C 99 178.220 178.220 176.815 1.405 18842 11483 1 18 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.092 0.002 18842 11484 1 18 . 1 1 99 99 ASN CB C 99 38.372 38.372 39.509 -1.137 18842 11485 1 18 . 1 1 99 99 ASN H H 99 8.104 8.104 7.600 0.504 18842 11486 1 18 . 1 1 100 100 ILE N N 100 121.160 121.160 121.299 -0.139 18842 11487 1 18 . 1 1 100 100 ILE HA H 100 3.646 3.646 4.095 -0.449 18842 11488 1 18 . 1 1 100 100 ILE C C 100 177.361 177.361 177.494 -0.133 18842 11489 1 18 . 1 1 100 100 ILE CA C 100 62.746 62.746 63.116 -0.370 18842 11490 1 18 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.617 -1.915 18842 11491 1 18 . 1 1 100 100 ILE H H 100 8.020 8.020 8.179 -0.159 18842 11492 1 18 . 1 1 101 101 LYS N N 101 120.747 120.747 120.175 0.572 18842 11493 1 18 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.910 -0.226 18842 11494 1 18 . 1 1 101 101 LYS C C 101 177.127 177.127 179.135 -2.008 18842 11495 1 18 . 1 1 101 101 LYS CA C 101 60.160 60.160 60.058 0.102 18842 11496 1 18 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.289 0.708 18842 11497 1 18 . 1 1 101 101 LYS H H 101 8.907 8.907 8.413 0.494 18842 11498 1 18 . 1 1 102 102 MET N N 102 116.126 116.126 116.076 0.050 18842 11499 1 18 . 1 1 102 102 MET HA H 102 4.245 4.245 4.461 -0.216 18842 11500 1 18 . 1 1 102 102 MET C C 102 178.941 178.941 178.453 0.488 18842 11501 1 18 . 1 1 102 102 MET CA C 102 58.367 58.367 58.612 -0.245 18842 11502 1 18 . 1 1 102 102 MET CB C 102 32.055 32.055 32.442 -0.387 18842 11503 1 18 . 1 1 102 102 MET H H 102 8.002 8.002 7.514 0.488 18842 11504 1 18 . 1 1 103 103 THR N N 103 117.988 117.988 116.805 1.183 18842 11505 1 18 . 1 1 103 103 THR HA H 103 3.861 3.861 4.028 -0.167 18842 11506 1 18 . 1 1 103 103 THR C C 103 176.493 176.493 176.815 -0.322 18842 11507 1 18 . 1 1 103 103 THR CA C 103 66.168 66.168 66.193 -0.025 18842 11508 1 18 . 1 1 103 103 THR CB C 103 67.923 67.923 68.423 -0.500 18842 11509 1 18 . 1 1 103 103 THR H H 103 7.694 7.694 7.785 -0.091 18842 11510 1 18 . 1 1 104 104 LEU N N 104 119.248 119.248 121.628 -2.380 18842 11511 1 18 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.096 -0.216 18842 11512 1 18 . 1 1 104 104 LEU C C 104 178.072 178.072 178.408 -0.336 18842 11513 1 18 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.226 -0.180 18842 11514 1 18 . 1 1 104 104 LEU CB C 104 42.894 42.894 40.981 1.913 18842 11515 1 18 . 1 1 104 104 LEU H H 104 8.530 8.530 8.810 -0.280 18842 11516 1 18 . 1 1 105 105 GLN N N 105 119.071 119.071 118.154 0.917 18842 11517 1 18 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.842 0.126 18842 11518 1 18 . 1 1 105 105 GLN C C 105 178.675 178.675 178.358 0.317 18842 11519 1 18 . 1 1 105 105 GLN CA C 105 59.073 59.073 59.161 -0.088 18842 11520 1 18 . 1 1 105 105 GLN CB C 105 27.968 27.968 28.474 -0.505 18842 11521 1 18 . 1 1 105 105 GLN H H 105 8.623 8.623 7.698 0.925 18842 11522 1 18 . 1 1 106 106 GLN N N 106 117.946 117.946 118.095 -0.149 18842 11523 1 18 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.068 -0.029 18842 11524 1 18 . 1 1 106 106 GLN C C 106 178.677 178.677 178.430 0.247 18842 11525 1 18 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.306 0.409 18842 11526 1 18 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.205 0.259 18842 11527 1 18 . 1 1 106 106 GLN H H 106 7.581 7.581 8.059 -0.478 18842 11528 1 18 . 1 1 107 107 ILE N N 107 120.013 120.013 118.828 1.185 18842 11529 1 18 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.765 -0.300 18842 11530 1 18 . 1 1 107 107 ILE C C 107 177.586 177.586 178.021 -0.435 18842 11531 1 18 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.118 1.364 18842 11532 1 18 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.321 0.818 18842 11533 1 18 . 1 1 107 107 ILE H H 107 7.801 7.801 7.961 -0.160 18842 11534 1 18 . 1 1 108 108 ILE N N 108 117.686 117.686 122.428 -4.742 18842 11535 1 18 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.782 0.002 18842 11536 1 18 . 1 1 108 108 ILE C C 108 179.171 179.171 178.332 0.839 18842 11537 1 18 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.456 2.147 18842 11538 1 18 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.096 2.145 18842 11539 1 18 . 1 1 108 108 ILE H H 108 8.734 8.734 8.381 0.353 18842 11540 1 18 . 1 1 109 109 SER N N 109 114.198 114.198 114.918 -0.720 18842 11541 1 18 . 1 1 109 109 SER HA H 109 4.214 4.214 4.117 0.097 18842 11542 1 18 . 1 1 109 109 SER C C 109 176.381 176.381 176.920 -0.539 18842 11543 1 18 . 1 1 109 109 SER CA C 109 61.564 61.564 61.559 0.005 18842 11544 1 18 . 1 1 109 109 SER CB C 109 62.831 62.831 62.724 0.107 18842 11545 1 18 . 1 1 109 109 SER H H 109 7.881 7.881 8.276 -0.395 18842 11546 1 18 . 1 1 110 110 ARG N N 110 121.010 121.010 119.842 1.168 18842 11547 1 18 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.898 0.239 18842 11548 1 18 . 1 1 110 110 ARG C C 110 178.636 178.636 177.485 1.151 18842 11549 1 18 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.422 -0.046 18842 11550 1 18 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.976 -0.126 18842 11551 1 18 . 1 1 110 110 ARG H H 110 7.550 7.550 7.226 0.324 18842 11552 1 18 . 1 1 111 111 TYR N N 111 117.243 117.243 112.860 4.383 18842 11553 1 18 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.690 0.105 18842 11554 1 18 . 1 1 111 111 TYR C C 111 176.218 176.218 175.712 0.506 18842 11555 1 18 . 1 1 111 111 TYR CA C 111 57.574 57.574 57.185 0.389 18842 11556 1 18 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.112 0.380 18842 11557 1 18 . 1 1 111 111 TYR H H 111 7.496 7.496 7.646 -0.150 18842 11558 1 18 . 1 1 112 112 LYS N N 112 121.040 121.040 118.295 2.745 18842 11559 1 18 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.462 -0.128 18842 11560 1 18 . 1 1 112 112 LYS C C 112 177.437 177.437 176.862 0.575 18842 11561 1 18 . 1 1 112 112 LYS CA C 112 57.630 57.630 56.530 1.100 18842 11562 1 18 . 1 1 112 112 LYS CB C 112 32.590 32.590 33.762 -1.172 18842 11563 1 18 . 1 1 112 112 LYS H H 112 7.755 7.755 7.892 -0.137 18842 11564 1 18 . 1 1 113 113 ASP N N 113 120.593 120.593 120.472 0.121 18842 11565 1 18 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.460 0.177 18842 11566 1 18 . 1 1 113 113 ASP C C 113 176.587 176.587 177.715 -1.128 18842 11567 1 18 . 1 1 113 113 ASP CB C 113 41.093 41.093 41.036 0.057 18842 11568 1 18 . 1 1 113 113 ASP H H 113 8.246 8.246 8.036 0.210 18842 11569 1 18 . 1 1 114 114 ALA N N 114 123.721 123.721 121.648 2.073 18842 11570 1 18 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.119 0.230 18842 11571 1 18 . 1 1 114 114 ALA C C 114 178.004 178.004 178.005 -0.001 18842 11572 1 18 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.956 -1.070 18842 11573 1 18 . 1 1 114 114 ALA CB C 114 19.265 19.265 18.863 0.402 18842 11574 1 18 . 1 1 114 114 ALA H H 114 8.038 8.038 7.977 0.061 18842 11575 1 19 . 1 1 2 2 SER N N 2 113.417 113.417 116.726 -3.309 18842 11576 1 19 . 1 1 2 2 SER HA H 2 4.355 4.355 4.337 0.018 18842 11577 1 19 . 1 1 2 2 SER CA C 2 58.647 58.647 60.337 -1.690 18842 11578 1 19 . 1 1 2 2 SER CB C 2 63.504 63.504 63.254 0.250 18842 11579 1 19 . 1 1 2 2 SER H H 2 8.096 8.096 8.382 -0.286 18842 11580 1 19 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.749 -0.072 18842 11581 1 19 . 1 1 3 3 HIS C C 3 173.601 173.601 173.151 0.450 18842 11582 1 19 . 1 1 3 3 HIS CA C 3 56.229 56.229 53.273 2.956 18842 11583 1 19 . 1 1 3 3 HIS CB C 3 31.323 31.323 26.992 4.331 18842 11584 1 19 . 1 1 4 4 SER N N 4 113.555 113.555 113.923 -0.368 18842 11585 1 19 . 1 1 4 4 SER HA H 4 5.483 5.483 4.966 0.517 18842 11586 1 19 . 1 1 4 4 SER C C 4 173.624 173.624 172.871 0.753 18842 11587 1 19 . 1 1 4 4 SER CA C 4 56.904 56.904 58.401 -1.498 18842 11588 1 19 . 1 1 4 4 SER CB C 4 65.900 65.900 65.421 0.478 18842 11589 1 19 . 1 1 4 4 SER H H 4 7.865 7.865 7.730 0.135 18842 11590 1 19 . 1 1 5 5 GLY N N 5 107.050 107.050 107.057 -0.007 18842 11591 1 19 . 1 1 5 5 GLY C C 5 170.915 170.915 171.966 -1.051 18842 11592 1 19 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.371 1.046 18842 11593 1 19 . 1 1 5 5 GLY H H 5 8.370 8.370 8.836 -0.466 18842 11594 1 19 . 1 1 6 6 ALA N N 6 125.347 125.347 123.404 1.943 18842 11595 1 19 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.622 0.331 18842 11596 1 19 . 1 1 6 6 ALA C C 6 176.816 176.816 176.148 0.668 18842 11597 1 19 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.273 0.332 18842 11598 1 19 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.021 0.352 18842 11599 1 19 . 1 1 6 6 ALA H H 6 8.671 8.671 8.503 0.168 18842 11600 1 19 . 1 1 7 7 ALA N N 7 120.077 120.077 126.031 -5.954 18842 11601 1 19 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.088 0.574 18842 11602 1 19 . 1 1 7 7 ALA C C 7 176.697 176.697 175.812 0.885 18842 11603 1 19 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.663 2.005 18842 11604 1 19 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.342 2.706 18842 11605 1 19 . 1 1 7 7 ALA H H 7 8.391 8.391 7.926 0.465 18842 11606 1 19 . 1 1 8 8 ILE N N 8 125.517 125.517 120.131 5.386 18842 11607 1 19 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.954 0.033 18842 11608 1 19 . 1 1 8 8 ILE C C 8 175.327 175.327 174.312 1.015 18842 11609 1 19 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.957 -1.113 18842 11610 1 19 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.187 -1.598 18842 11611 1 19 . 1 1 8 8 ILE H H 8 9.383 9.383 7.835 1.548 18842 11612 1 19 . 1 1 9 9 PHE N N 9 128.853 128.853 124.747 4.106 18842 11613 1 19 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.785 -0.468 18842 11614 1 19 . 1 1 9 9 PHE C C 9 173.920 173.920 174.281 -0.361 18842 11615 1 19 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.424 -0.306 18842 11616 1 19 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.536 -2.711 18842 11617 1 19 . 1 1 9 9 PHE H H 9 8.467 8.467 9.260 -0.793 18842 11618 1 19 . 1 1 10 10 GLU N N 10 126.396 126.396 124.847 1.549 18842 11619 1 19 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.496 -0.294 18842 11620 1 19 . 1 1 10 10 GLU C C 10 175.226 175.226 175.930 -0.704 18842 11621 1 19 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.659 -0.979 18842 11622 1 19 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.793 -1.097 18842 11623 1 19 . 1 1 10 10 GLU H H 10 8.769 8.769 8.701 0.068 18842 11624 1 19 . 1 1 11 11 LYS N N 11 105.585 105.585 111.036 -5.451 18842 11625 1 19 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.854 -0.452 18842 11626 1 19 . 1 1 11 11 LYS C C 11 175.596 175.596 175.210 0.386 18842 11627 1 19 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.820 0.628 18842 11628 1 19 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.208 -1.074 18842 11629 1 19 . 1 1 11 11 LYS H H 11 7.931 7.931 8.326 -0.395 18842 11630 1 19 . 1 1 12 12 VAL N N 12 123.819 123.819 121.246 2.573 18842 11631 1 19 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.393 0.024 18842 11632 1 19 . 1 1 12 12 VAL C C 12 175.188 175.188 174.483 0.705 18842 11633 1 19 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.282 1.403 18842 11634 1 19 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.616 -0.437 18842 11635 1 19 . 1 1 12 12 VAL H H 12 7.954 7.954 7.902 0.052 18842 11636 1 19 . 1 1 13 13 SER N N 13 121.981 121.981 121.491 0.490 18842 11637 1 19 . 1 1 13 13 SER HA H 13 4.624 4.624 4.758 -0.134 18842 11638 1 19 . 1 1 13 13 SER C C 13 175.408 175.408 174.103 1.305 18842 11639 1 19 . 1 1 13 13 SER CA C 13 59.766 59.766 57.953 1.813 18842 11640 1 19 . 1 1 13 13 SER CB C 13 63.591 63.591 64.475 -0.884 18842 11641 1 19 . 1 1 13 13 SER H H 13 8.895 8.895 8.679 0.216 18842 11642 1 19 . 1 1 14 14 GLY N N 14 113.215 113.215 111.048 2.167 18842 11643 1 19 . 1 1 14 14 GLY C C 14 172.790 172.790 172.255 0.535 18842 11644 1 19 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.595 1.942 18842 11645 1 19 . 1 1 14 14 GLY H H 14 8.287 8.287 9.267 -0.980 18842 11646 1 19 . 1 1 15 15 ILE N N 15 123.244 123.244 119.633 3.611 18842 11647 1 19 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.359 0.461 18842 11648 1 19 . 1 1 15 15 ILE C C 15 175.417 175.417 174.048 1.369 18842 11649 1 19 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.575 -0.272 18842 11650 1 19 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.228 1.568 18842 11651 1 19 . 1 1 15 15 ILE H H 15 8.330 8.330 7.265 1.065 18842 11652 1 19 . 1 1 16 16 ILE N N 16 127.640 127.640 128.614 -0.974 18842 11653 1 19 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.302 0.665 18842 11654 1 19 . 1 1 16 16 ILE C C 16 173.248 173.248 173.753 -0.505 18842 11655 1 19 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.040 -0.228 18842 11656 1 19 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.330 2.393 18842 11657 1 19 . 1 1 16 16 ILE H H 16 9.438 9.438 9.234 0.204 18842 11658 1 19 . 1 1 17 17 ALA N N 17 127.760 127.760 130.921 -3.161 18842 11659 1 19 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.856 0.249 18842 11660 1 19 . 1 1 17 17 ALA C C 17 177.510 177.510 175.519 1.991 18842 11661 1 19 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.175 1.270 18842 11662 1 19 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.471 -0.310 18842 11663 1 19 . 1 1 17 17 ALA H H 17 8.968 8.968 8.547 0.421 18842 11664 1 19 . 1 1 18 18 ILE N N 18 122.269 122.269 123.123 -0.854 18842 11665 1 19 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.301 0.290 18842 11666 1 19 . 1 1 18 18 ILE C C 18 174.334 174.334 175.738 -1.404 18842 11667 1 19 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.726 -0.070 18842 11668 1 19 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.304 0.760 18842 11669 1 19 . 1 1 18 18 ILE H H 18 8.665 8.665 8.237 0.428 18842 11670 1 19 . 1 1 19 19 ASN N N 19 127.568 127.568 127.000 0.568 18842 11671 1 19 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.790 0.290 18842 11672 1 19 . 1 1 19 19 ASN C C 19 174.784 174.784 175.093 -0.309 18842 11673 1 19 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.904 -1.266 18842 11674 1 19 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.975 0.616 18842 11675 1 19 . 1 1 19 19 ASN H H 19 9.378 9.378 9.184 0.194 18842 11676 1 19 . 1 1 20 20 GLU N N 20 121.587 121.587 123.755 -2.168 18842 11677 1 19 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.417 0.286 18842 11678 1 19 . 1 1 20 20 GLU C C 20 176.152 176.152 175.761 0.391 18842 11679 1 19 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.136 -1.245 18842 11680 1 19 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.976 0.891 18842 11681 1 19 . 1 1 20 20 GLU H H 20 9.046 9.046 8.017 1.029 18842 11682 1 19 . 1 1 21 21 ASP N N 21 121.077 121.077 117.283 3.794 18842 11683 1 19 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.808 -0.189 18842 11684 1 19 . 1 1 21 21 ASP C C 21 175.688 175.688 176.788 -1.100 18842 11685 1 19 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.425 1.087 18842 11686 1 19 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.454 -0.978 18842 11687 1 19 . 1 1 21 21 ASP H H 21 8.724 8.724 8.348 0.376 18842 11688 1 19 . 1 1 22 22 VAL N N 22 113.035 113.035 115.550 -2.515 18842 11689 1 19 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.408 -0.090 18842 11690 1 19 . 1 1 22 22 VAL C C 22 173.445 173.445 175.672 -2.227 18842 11691 1 19 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.191 -1.142 18842 11692 1 19 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.260 0.762 18842 11693 1 19 . 1 1 22 22 VAL H H 22 6.844 6.844 7.251 -0.407 18842 11694 1 19 . 1 1 23 23 SER N N 23 114.945 114.945 114.945 0.000 18842 11695 1 19 . 1 1 23 23 SER HA H 23 4.735 4.735 4.512 0.223 18842 11696 1 19 . 1 1 23 23 SER CA C 23 53.765 53.765 60.448 -6.683 18842 11697 1 19 . 1 1 23 23 SER CB C 23 64.743 64.743 62.057 2.686 18842 11698 1 19 . 1 1 23 23 SER H H 23 8.046 8.046 8.576 -0.530 18842 11699 1 19 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.606 0.162 18842 11700 1 19 . 1 1 24 24 PRO C C 24 174.807 174.807 175.731 -0.924 18842 11701 1 19 . 1 1 24 24 PRO CA C 24 62.760 62.760 61.758 1.002 18842 11702 1 19 . 1 1 24 24 PRO CB C 24 34.741 34.741 32.161 2.580 18842 11703 1 19 . 1 1 25 25 ALA N N 25 120.415 120.415 128.968 -8.553 18842 11704 1 19 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.387 0.128 18842 11705 1 19 . 1 1 25 25 ALA C C 25 175.790 175.790 177.020 -1.230 18842 11706 1 19 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.816 -0.283 18842 11707 1 19 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.201 1.381 18842 11708 1 19 . 1 1 25 25 ALA H H 25 7.979 7.979 8.560 -0.581 18842 11709 1 19 . 1 1 26 26 GLU N N 26 115.395 115.395 123.110 -7.715 18842 11710 1 19 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.194 -0.155 18842 11711 1 19 . 1 1 26 26 GLU C C 26 174.619 174.619 175.050 -0.431 18842 11712 1 19 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.039 -0.010 18842 11713 1 19 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.505 1.111 18842 11714 1 19 . 1 1 26 26 GLU H H 26 7.851 7.851 8.114 -0.263 18842 11715 1 19 . 1 1 27 27 LEU N N 27 124.661 124.661 123.491 1.170 18842 11716 1 19 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.912 0.114 18842 11717 1 19 . 1 1 27 27 LEU C C 27 174.740 174.740 175.303 -0.563 18842 11718 1 19 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.038 -0.257 18842 11719 1 19 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.509 1.100 18842 11720 1 19 . 1 1 27 27 LEU H H 27 8.898 8.898 9.365 -0.467 18842 11721 1 19 . 1 1 28 28 THR N N 28 121.731 121.731 124.933 -3.202 18842 11722 1 19 . 1 1 28 28 THR HA H 28 5.207 5.207 5.024 0.183 18842 11723 1 19 . 1 1 28 28 THR C C 28 172.661 172.661 173.535 -0.874 18842 11724 1 19 . 1 1 28 28 THR CA C 28 61.178 61.178 62.735 -1.557 18842 11725 1 19 . 1 1 28 28 THR CB C 28 71.422 71.422 69.511 1.911 18842 11726 1 19 . 1 1 28 28 THR H H 28 9.283 9.283 9.150 0.133 18842 11727 1 19 . 1 1 29 29 TRP N N 29 128.950 128.950 131.429 -2.479 18842 11728 1 19 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.090 0.341 18842 11729 1 19 . 1 1 29 29 TRP C C 29 173.939 173.939 174.570 -0.631 18842 11730 1 19 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.092 -0.310 18842 11731 1 19 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.380 1.798 18842 11732 1 19 . 1 1 29 29 TRP H H 29 9.399 9.399 9.445 -0.046 18842 11733 1 19 . 1 1 30 30 ARG N N 30 126.402 126.402 129.858 -3.456 18842 11734 1 19 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.347 0.482 18842 11735 1 19 . 1 1 30 30 ARG C C 30 174.751 174.751 175.616 -0.865 18842 11736 1 19 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.326 -0.937 18842 11737 1 19 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.670 2.148 18842 11738 1 19 . 1 1 30 30 ARG H H 30 7.613 7.613 9.048 -1.435 18842 11739 1 19 . 1 1 31 31 SER N N 31 118.353 118.353 121.307 -2.954 18842 11740 1 19 . 1 1 31 31 SER HA H 31 4.138 4.138 3.676 0.462 18842 11741 1 19 . 1 1 31 31 SER C C 31 176.426 176.426 175.584 0.842 18842 11742 1 19 . 1 1 31 31 SER CA C 31 58.013 58.013 58.410 -0.397 18842 11743 1 19 . 1 1 31 31 SER CB C 31 64.081 64.081 63.162 0.919 18842 11744 1 19 . 1 1 31 31 SER H H 31 8.086 8.086 8.196 -0.110 18842 11745 1 19 . 1 1 32 32 THR N N 32 119.213 119.213 114.934 4.279 18842 11746 1 19 . 1 1 32 32 THR HA H 32 3.856 3.856 4.109 -0.253 18842 11747 1 19 . 1 1 32 32 THR C C 32 175.664 175.664 175.566 0.098 18842 11748 1 19 . 1 1 32 32 THR CA C 32 66.142 66.142 64.932 1.210 18842 11749 1 19 . 1 1 32 32 THR CB C 32 68.446 68.446 68.618 -0.172 18842 11750 1 19 . 1 1 32 32 THR H H 32 8.556 8.556 8.183 0.373 18842 11751 1 19 . 1 1 33 33 ASP N N 33 117.260 117.260 121.338 -4.078 18842 11752 1 19 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.598 0.029 18842 11753 1 19 . 1 1 33 33 ASP C C 33 177.098 177.098 176.771 0.327 18842 11754 1 19 . 1 1 33 33 ASP CA C 33 54.367 54.367 55.370 -1.004 18842 11755 1 19 . 1 1 33 33 ASP H H 33 8.236 8.236 8.371 -0.135 18842 11756 1 19 . 1 1 34 34 GLY N N 34 109.136 109.136 105.194 3.942 18842 11757 1 19 . 1 1 34 34 GLY C C 34 173.778 173.778 174.429 -0.651 18842 11758 1 19 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.095 0.304 18842 11759 1 19 . 1 1 34 34 GLY H H 34 7.935 7.935 8.211 -0.276 18842 11760 1 19 . 1 1 35 35 ASP N N 35 117.913 117.913 119.943 -2.030 18842 11761 1 19 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.770 -0.240 18842 11762 1 19 . 1 1 35 35 ASP C C 35 175.403 175.403 175.673 -0.270 18842 11763 1 19 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.663 0.148 18842 11764 1 19 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.868 -0.827 18842 11765 1 19 . 1 1 35 35 ASP H H 35 8.271 8.271 8.180 0.091 18842 11766 1 19 . 1 1 36 36 LYS N N 36 120.335 120.335 119.487 0.848 18842 11767 1 19 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.751 0.156 18842 11768 1 19 . 1 1 36 36 LYS C C 36 174.651 174.651 174.299 0.352 18842 11769 1 19 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.492 -0.085 18842 11770 1 19 . 1 1 36 36 LYS CB C 36 35.834 35.834 36.202 -0.368 18842 11771 1 19 . 1 1 36 36 LYS H H 36 7.769 7.769 8.136 -0.367 18842 11772 1 19 . 1 1 37 37 VAL N N 37 121.484 121.484 121.521 -0.037 18842 11773 1 19 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.137 0.178 18842 11774 1 19 . 1 1 37 37 VAL C C 37 175.069 175.069 174.897 0.172 18842 11775 1 19 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.576 0.522 18842 11776 1 19 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.137 0.921 18842 11777 1 19 . 1 1 37 37 VAL H H 37 8.582 8.582 8.565 0.017 18842 11778 1 19 . 1 1 38 38 HIS N N 38 125.660 125.660 124.038 1.622 18842 11779 1 19 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.812 0.272 18842 11780 1 19 . 1 1 38 38 HIS C C 38 173.268 173.268 173.218 0.050 18842 11781 1 19 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.931 0.137 18842 11782 1 19 . 1 1 38 38 HIS CB C 38 34.088 34.088 33.965 0.123 18842 11783 1 19 . 1 1 38 38 HIS H H 38 9.621 9.621 8.875 0.746 18842 11784 1 19 . 1 1 39 39 THR N N 39 124.752 124.752 120.230 4.522 18842 11785 1 19 . 1 1 39 39 THR HA H 39 5.139 5.139 5.078 0.061 18842 11786 1 19 . 1 1 39 39 THR C C 39 173.208 173.208 173.136 0.072 18842 11787 1 19 . 1 1 39 39 THR CA C 39 61.518 61.518 61.612 -0.094 18842 11788 1 19 . 1 1 39 39 THR CB C 39 70.665 70.665 71.200 -0.535 18842 11789 1 19 . 1 1 39 39 THR H H 39 8.527 8.527 8.093 0.434 18842 11790 1 19 . 1 1 40 40 VAL N N 40 126.002 126.002 126.488 -0.486 18842 11791 1 19 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.394 -0.470 18842 11792 1 19 . 1 1 40 40 VAL C C 40 174.731 174.731 174.169 0.562 18842 11793 1 19 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.865 -0.515 18842 11794 1 19 . 1 1 40 40 VAL CB C 40 34.365 34.365 36.059 -1.694 18842 11795 1 19 . 1 1 40 40 VAL H H 40 9.388 9.388 9.233 0.155 18842 11796 1 19 . 1 1 41 41 VAL N N 41 129.872 129.872 128.771 1.101 18842 11797 1 19 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.250 -0.266 18842 11798 1 19 . 1 1 41 41 VAL C C 41 179.410 179.410 176.671 2.739 18842 11799 1 19 . 1 1 41 41 VAL CA C 41 63.616 63.616 62.049 1.567 18842 11800 1 19 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.491 -0.503 18842 11801 1 19 . 1 1 41 41 VAL H H 41 9.054 9.054 8.912 0.142 18842 11802 1 19 . 1 1 42 42 LEU N N 42 130.076 130.076 129.131 0.945 18842 11803 1 19 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.179 -0.225 18842 11804 1 19 . 1 1 42 42 LEU C C 42 176.121 176.121 178.253 -2.132 18842 11805 1 19 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.812 1.810 18842 11806 1 19 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.760 0.063 18842 11807 1 19 . 1 1 42 42 LEU H H 42 9.193 9.193 8.253 0.940 18842 11808 1 19 . 1 1 43 43 SER N N 43 109.703 109.703 111.560 -1.857 18842 11809 1 19 . 1 1 43 43 SER HA H 43 3.944 3.944 2.691 1.253 18842 11810 1 19 . 1 1 43 43 SER C C 43 175.455 175.455 175.134 0.321 18842 11811 1 19 . 1 1 43 43 SER CA C 43 59.442 59.442 60.380 -0.938 18842 11812 1 19 . 1 1 43 43 SER CB C 43 61.299 61.299 62.785 -1.486 18842 11813 1 19 . 1 1 43 43 SER H H 43 6.961 6.961 8.355 -1.394 18842 11814 1 19 . 1 1 44 44 THR N N 44 110.409 110.409 113.267 -2.858 18842 11815 1 19 . 1 1 44 44 THR HA H 44 4.519 4.519 4.208 0.311 18842 11816 1 19 . 1 1 44 44 THR C C 44 173.493 173.493 175.033 -1.540 18842 11817 1 19 . 1 1 44 44 THR CA C 44 62.076 62.076 62.834 -0.758 18842 11818 1 19 . 1 1 44 44 THR CB C 44 69.788 69.788 69.542 0.246 18842 11819 1 19 . 1 1 44 44 THR H H 44 7.657 7.657 7.669 -0.012 18842 11820 1 19 . 1 1 45 45 ILE N N 45 120.972 120.972 123.728 -2.756 18842 11821 1 19 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.003 0.322 18842 11822 1 19 . 1 1 45 45 ILE C C 45 173.882 173.882 176.370 -2.488 18842 11823 1 19 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.875 -3.835 18842 11824 1 19 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.338 0.162 18842 11825 1 19 . 1 1 45 45 ILE H H 45 7.089 7.089 7.778 -0.689 18842 11826 1 19 . 1 1 46 46 ASP N N 46 126.759 126.759 128.245 -1.486 18842 11827 1 19 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.422 0.240 18842 11828 1 19 . 1 1 46 46 ASP C C 46 175.424 175.424 175.462 -0.038 18842 11829 1 19 . 1 1 46 46 ASP CA C 46 55.017 55.017 55.998 -0.981 18842 11830 1 19 . 1 1 46 46 ASP CB C 46 44.583 44.583 42.109 2.474 18842 11831 1 19 . 1 1 46 46 ASP H H 46 9.372 9.372 8.639 0.733 18842 11832 1 19 . 1 1 47 47 LYS N N 47 111.663 111.663 113.190 -1.527 18842 11833 1 19 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.520 0.233 18842 11834 1 19 . 1 1 47 47 LYS C C 47 172.574 172.574 173.829 -1.255 18842 11835 1 19 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.269 -0.654 18842 11836 1 19 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.134 2.062 18842 11837 1 19 . 1 1 47 47 LYS H H 47 7.522 7.522 7.442 0.080 18842 11838 1 19 . 1 1 48 48 LEU N N 48 123.295 123.295 121.019 2.276 18842 11839 1 19 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.849 0.294 18842 11840 1 19 . 1 1 48 48 LEU C C 48 174.770 174.770 176.567 -1.797 18842 11841 1 19 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.952 -1.016 18842 11842 1 19 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.890 0.690 18842 11843 1 19 . 1 1 48 48 LEU H H 48 8.938 8.938 8.491 0.447 18842 11844 1 19 . 1 1 49 49 GLN N N 49 120.979 120.979 119.299 1.680 18842 11845 1 19 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.673 0.839 18842 11846 1 19 . 1 1 49 49 GLN C C 49 174.626 174.626 173.990 0.636 18842 11847 1 19 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.683 -1.052 18842 11848 1 19 . 1 1 49 49 GLN CB C 49 34.089 34.089 32.963 1.126 18842 11849 1 19 . 1 1 49 49 GLN H H 49 9.246 9.246 8.560 0.686 18842 11850 1 19 . 1 1 50 50 ALA N N 50 122.440 122.440 125.626 -3.186 18842 11851 1 19 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.908 0.900 18842 11852 1 19 . 1 1 50 50 ALA C C 50 177.277 177.277 176.503 0.774 18842 11853 1 19 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.141 -0.520 18842 11854 1 19 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.849 2.674 18842 11855 1 19 . 1 1 50 50 ALA H H 50 9.365 9.365 8.340 1.025 18842 11856 1 19 . 1 1 51 51 THR N N 51 114.289 114.289 117.021 -2.732 18842 11857 1 19 . 1 1 51 51 THR HA H 51 4.615 4.615 4.316 0.299 18842 11858 1 19 . 1 1 51 51 THR CA C 51 59.197 59.197 60.880 -1.683 18842 11859 1 19 . 1 1 51 51 THR CB C 51 67.937 67.937 67.617 0.320 18842 11860 1 19 . 1 1 51 51 THR H H 51 8.368 8.368 8.396 -0.028 18842 11861 1 19 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.272 0.259 18842 11862 1 19 . 1 1 52 52 PRO C C 52 178.380 178.380 178.092 0.288 18842 11863 1 19 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.728 -0.353 18842 11864 1 19 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.026 0.614 18842 11865 1 19 . 1 1 53 53 ALA N N 53 126.235 126.235 123.047 3.188 18842 11866 1 19 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.060 -0.030 18842 11867 1 19 . 1 1 53 53 ALA C C 53 177.700 177.700 178.427 -0.727 18842 11868 1 19 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.487 0.308 18842 11869 1 19 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.711 -0.692 18842 11870 1 19 . 1 1 53 53 ALA H H 53 9.122 9.122 8.476 0.646 18842 11871 1 19 . 1 1 54 54 SER N N 54 107.216 107.216 110.030 -2.814 18842 11872 1 19 . 1 1 54 54 SER HA H 54 4.238 4.238 4.341 -0.103 18842 11873 1 19 . 1 1 54 54 SER C C 54 174.957 174.957 175.222 -0.265 18842 11874 1 19 . 1 1 54 54 SER CA C 54 58.260 58.260 59.160 -0.901 18842 11875 1 19 . 1 1 54 54 SER CB C 54 63.120 63.120 63.429 -0.309 18842 11876 1 19 . 1 1 54 54 SER H H 54 7.620 7.620 7.881 -0.261 18842 11877 1 19 . 1 1 55 55 SER N N 55 117.523 117.523 118.883 -1.360 18842 11878 1 19 . 1 1 55 55 SER HA H 55 4.469 4.469 4.527 -0.058 18842 11879 1 19 . 1 1 55 55 SER C C 55 174.952 174.952 173.811 1.141 18842 11880 1 19 . 1 1 55 55 SER CA C 55 57.500 57.500 58.726 -1.226 18842 11881 1 19 . 1 1 55 55 SER CB C 55 63.801 63.801 64.042 -0.241 18842 11882 1 19 . 1 1 55 55 SER H H 55 7.676 7.676 7.957 -0.281 18842 11883 1 19 . 1 1 56 56 GLU N N 56 124.557 124.557 125.634 -1.077 18842 11884 1 19 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.107 0.072 18842 11885 1 19 . 1 1 56 56 GLU C C 56 177.924 177.924 176.167 1.757 18842 11886 1 19 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.212 -0.551 18842 11887 1 19 . 1 1 56 56 GLU CB C 56 29.829 29.829 30.026 -0.198 18842 11888 1 19 . 1 1 56 56 GLU H H 56 8.844 8.844 8.792 0.052 18842 11889 1 19 . 1 1 57 57 LYS N N 57 119.220 119.220 119.126 0.094 18842 11890 1 19 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.361 -0.065 18842 11891 1 19 . 1 1 57 57 LYS C C 57 175.667 175.667 175.812 -0.145 18842 11892 1 19 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.654 1.201 18842 11893 1 19 . 1 1 57 57 LYS CB C 57 33.855 33.855 31.604 2.252 18842 11894 1 19 . 1 1 57 57 LYS H H 57 8.259 8.259 7.912 0.347 18842 11895 1 19 . 1 1 58 58 MET N N 58 123.270 123.270 125.536 -2.266 18842 11896 1 19 . 1 1 58 58 MET HA H 58 4.288 4.288 4.487 -0.199 18842 11897 1 19 . 1 1 58 58 MET C C 58 174.107 174.107 175.748 -1.641 18842 11898 1 19 . 1 1 58 58 MET CA C 58 55.067 55.067 55.331 -0.264 18842 11899 1 19 . 1 1 58 58 MET CB C 58 35.381 35.381 32.284 3.097 18842 11900 1 19 . 1 1 58 58 MET H H 58 8.811 8.811 8.861 -0.050 18842 11901 1 19 . 1 1 59 59 MET N N 59 120.490 120.490 122.403 -1.913 18842 11902 1 19 . 1 1 59 59 MET HA H 59 5.873 5.873 5.085 0.788 18842 11903 1 19 . 1 1 59 59 MET C C 59 174.459 174.459 173.980 0.479 18842 11904 1 19 . 1 1 59 59 MET CA C 59 54.903 54.903 55.315 -0.412 18842 11905 1 19 . 1 1 59 59 MET CB C 59 39.231 39.231 37.143 2.088 18842 11906 1 19 . 1 1 59 59 MET H H 59 8.395 8.395 9.407 -1.012 18842 11907 1 19 . 1 1 60 60 LEU N N 60 118.105 118.105 122.325 -4.220 18842 11908 1 19 . 1 1 60 60 LEU HA H 60 5.664 5.664 5.103 0.561 18842 11909 1 19 . 1 1 60 60 LEU C C 60 175.664 175.664 175.188 0.476 18842 11910 1 19 . 1 1 60 60 LEU CA C 60 53.128 53.128 54.052 -0.924 18842 11911 1 19 . 1 1 60 60 LEU CB C 60 47.435 47.435 46.318 1.117 18842 11912 1 19 . 1 1 60 60 LEU H H 60 9.103 9.103 9.418 -0.315 18842 11913 1 19 . 1 1 61 61 ARG N N 61 120.757 120.757 119.417 1.340 18842 11914 1 19 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.445 0.013 18842 11915 1 19 . 1 1 61 61 ARG C C 61 173.515 173.515 174.387 -0.872 18842 11916 1 19 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.312 0.412 18842 11917 1 19 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.981 1.151 18842 11918 1 19 . 1 1 61 61 ARG H H 61 9.287 9.287 8.857 0.430 18842 11919 1 19 . 1 1 62 62 LEU N N 62 127.139 127.139 123.074 4.065 18842 11920 1 19 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.845 0.184 18842 11921 1 19 . 1 1 62 62 LEU C C 62 175.440 175.440 175.141 0.299 18842 11922 1 19 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.527 0.873 18842 11923 1 19 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.378 -2.275 18842 11924 1 19 . 1 1 62 62 LEU H H 62 9.307 9.307 8.395 0.912 18842 11925 1 19 . 1 1 63 63 ILE N N 63 123.292 123.292 125.901 -2.609 18842 11926 1 19 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.243 0.345 18842 11927 1 19 . 1 1 63 63 ILE C C 63 176.319 176.319 175.547 0.772 18842 11928 1 19 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.286 0.101 18842 11929 1 19 . 1 1 63 63 ILE CB C 63 38.121 38.121 37.925 0.196 18842 11930 1 19 . 1 1 63 63 ILE H H 63 8.891 8.891 8.913 -0.022 18842 11931 1 19 . 1 1 64 64 GLY N N 64 115.565 115.565 114.868 0.697 18842 11932 1 19 . 1 1 64 64 GLY C C 64 172.551 172.551 173.180 -0.629 18842 11933 1 19 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.740 1.689 18842 11934 1 19 . 1 1 64 64 GLY H H 64 9.356 9.356 7.978 1.378 18842 11935 1 19 . 1 1 65 65 LYS N N 65 119.442 119.442 120.966 -1.524 18842 11936 1 19 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.116 0.179 18842 11937 1 19 . 1 1 65 65 LYS C C 65 176.205 176.205 176.440 -0.235 18842 11938 1 19 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.174 -0.586 18842 11939 1 19 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.818 1.535 18842 11940 1 19 . 1 1 65 65 LYS H H 65 8.361 8.361 8.220 0.141 18842 11941 1 19 . 1 1 66 66 VAL N N 66 122.131 122.131 125.259 -3.128 18842 11942 1 19 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.289 -0.203 18842 11943 1 19 . 1 1 66 66 VAL C C 66 175.265 175.265 175.542 -0.277 18842 11944 1 19 . 1 1 66 66 VAL CA C 66 62.063 62.063 60.230 1.833 18842 11945 1 19 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.429 -0.165 18842 11946 1 19 . 1 1 66 66 VAL H H 66 8.637 8.637 8.591 0.046 18842 11947 1 19 . 1 1 67 67 ASP N N 67 125.510 125.510 121.581 3.929 18842 11948 1 19 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.808 -0.081 18842 11949 1 19 . 1 1 67 67 ASP C C 67 176.708 176.708 175.952 0.756 18842 11950 1 19 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.130 -0.990 18842 11951 1 19 . 1 1 67 67 ASP CB C 67 40.930 40.930 42.510 -1.580 18842 11952 1 19 . 1 1 67 67 ASP H H 67 8.460 8.460 8.521 -0.061 18842 11953 1 19 . 1 1 68 68 GLU N N 68 124.449 124.449 122.418 2.031 18842 11954 1 19 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.079 0.009 18842 11955 1 19 . 1 1 68 68 GLU C C 68 177.451 177.451 176.895 0.556 18842 11956 1 19 . 1 1 68 68 GLU CA C 68 57.855 57.855 58.672 -0.817 18842 11957 1 19 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.667 0.010 18842 11958 1 19 . 1 1 68 68 GLU H H 68 8.752 8.752 8.847 -0.095 18842 11959 1 19 . 1 1 69 69 SER N N 69 115.515 115.515 114.323 1.192 18842 11960 1 19 . 1 1 69 69 SER HA H 69 4.329 4.329 4.532 -0.203 18842 11961 1 19 . 1 1 69 69 SER C C 69 175.277 175.277 174.400 0.877 18842 11962 1 19 . 1 1 69 69 SER CA C 69 60.139 60.139 58.345 1.794 18842 11963 1 19 . 1 1 69 69 SER CB C 69 63.223 63.223 62.988 0.235 18842 11964 1 19 . 1 1 69 69 SER H H 69 8.497 8.497 8.015 0.482 18842 11965 1 19 . 1 1 70 70 LYS N N 70 121.733 121.733 120.589 1.144 18842 11966 1 19 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.527 -0.117 18842 11967 1 19 . 1 1 70 70 LYS C C 70 177.124 177.124 175.040 2.084 18842 11968 1 19 . 1 1 70 70 LYS CA C 70 55.324 55.324 55.368 -0.044 18842 11969 1 19 . 1 1 70 70 LYS H H 70 7.689 7.689 7.578 0.111 18842 11970 1 19 . 1 1 71 71 LYS N N 71 121.012 121.012 119.870 1.142 18842 11971 1 19 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.245 0.162 18842 11972 1 19 . 1 1 71 71 LYS C C 71 176.175 176.175 177.067 -0.892 18842 11973 1 19 . 1 1 71 71 LYS CA C 71 56.612 56.612 56.795 -0.183 18842 11974 1 19 . 1 1 71 71 LYS H H 71 7.750 7.750 7.952 -0.202 18842 11975 1 19 . 1 1 72 72 ARG N N 72 122.064 122.064 120.714 1.350 18842 11976 1 19 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.549 0.052 18842 11977 1 19 . 1 1 72 72 ARG C C 72 175.228 175.228 174.442 0.786 18842 11978 1 19 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.075 -0.146 18842 11979 1 19 . 1 1 72 72 ARG CB C 72 32.325 32.325 30.828 1.497 18842 11980 1 19 . 1 1 72 72 ARG H H 72 8.420 8.420 8.366 0.054 18842 11981 1 19 . 1 1 73 73 LYS N N 73 121.217 121.217 119.298 1.919 18842 11982 1 19 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.465 0.468 18842 11983 1 19 . 1 1 73 73 LYS C C 73 177.010 177.010 177.028 -0.018 18842 11984 1 19 . 1 1 73 73 LYS CA C 73 55.205 55.205 56.440 -1.235 18842 11985 1 19 . 1 1 73 73 LYS CB C 73 34.680 34.680 32.750 1.930 18842 11986 1 19 . 1 1 73 73 LYS H H 73 8.401 8.401 8.545 -0.144 18842 11987 1 19 . 1 1 74 74 ASP N N 74 122.025 122.025 120.117 1.908 18842 11988 1 19 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.712 -0.002 18842 11989 1 19 . 1 1 74 74 ASP C C 74 177.475 177.475 176.017 1.458 18842 11990 1 19 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.489 -0.733 18842 11991 1 19 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.159 -0.137 18842 11992 1 19 . 1 1 74 74 ASP H H 74 8.582 8.582 8.450 0.132 18842 11993 1 19 . 1 1 75 75 ASN N N 75 116.228 116.228 116.713 -0.485 18842 11994 1 19 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.440 0.096 18842 11995 1 19 . 1 1 75 75 ASN C C 75 175.999 175.999 175.033 0.966 18842 11996 1 19 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.873 -0.020 18842 11997 1 19 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.317 0.815 18842 11998 1 19 . 1 1 75 75 ASN H H 75 8.433 8.433 8.668 -0.235 18842 11999 1 19 . 1 1 76 76 GLU N N 76 118.958 118.958 118.517 0.441 18842 12000 1 19 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.496 -0.115 18842 12001 1 19 . 1 1 76 76 GLU C C 76 176.556 176.556 176.768 -0.212 18842 12002 1 19 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.417 -0.254 18842 12003 1 19 . 1 1 76 76 GLU H H 76 8.162 8.162 8.446 -0.284 18842 12004 1 19 . 1 1 77 77 GLY N N 77 108.062 108.062 108.122 -0.060 18842 12005 1 19 . 1 1 77 77 GLY C C 77 174.247 174.247 172.956 1.291 18842 12006 1 19 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.629 0.581 18842 12007 1 19 . 1 1 77 77 GLY H H 77 8.106 8.106 8.047 0.059 18842 12008 1 19 . 1 1 78 78 ASN N N 78 119.929 119.929 118.380 1.549 18842 12009 1 19 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.926 -0.180 18842 12010 1 19 . 1 1 78 78 ASN C C 78 175.035 175.035 174.254 0.781 18842 12011 1 19 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.583 0.212 18842 12012 1 19 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.728 -1.783 18842 12013 1 19 . 1 1 78 78 ASN H H 78 8.569 8.569 8.189 0.380 18842 12014 1 19 . 1 1 79 79 GLU N N 79 121.658 121.658 124.175 -2.517 18842 12015 1 19 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.264 0.217 18842 12016 1 19 . 1 1 79 79 GLU C C 79 176.302 176.302 176.087 0.215 18842 12017 1 19 . 1 1 79 79 GLU CA C 79 56.662 56.662 57.145 -0.484 18842 12018 1 19 . 1 1 79 79 GLU CB C 79 30.643 30.643 28.482 2.161 18842 12019 1 19 . 1 1 79 79 GLU H H 79 8.691 8.691 8.760 -0.069 18842 12020 1 19 . 1 1 80 80 VAL N N 80 123.997 123.997 118.559 5.438 18842 12021 1 19 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.475 -0.220 18842 12022 1 19 . 1 1 80 80 VAL C C 80 175.544 175.544 174.296 1.248 18842 12023 1 19 . 1 1 80 80 VAL CA C 80 61.293 61.293 59.180 2.113 18842 12024 1 19 . 1 1 80 80 VAL CB C 80 33.543 33.543 35.204 -1.661 18842 12025 1 19 . 1 1 80 80 VAL H H 80 8.581 8.581 8.157 0.424 18842 12026 1 19 . 1 1 81 81 VAL N N 81 126.545 126.545 119.462 7.083 18842 12027 1 19 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.445 -0.019 18842 12028 1 19 . 1 1 81 81 VAL CA C 81 59.551 59.551 58.950 0.600 18842 12029 1 19 . 1 1 81 81 VAL CB C 81 32.894 32.894 31.806 1.088 18842 12030 1 19 . 1 1 81 81 VAL H H 81 8.407 8.407 8.241 0.166 18842 12031 1 19 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.259 0.173 18842 12032 1 19 . 1 1 82 82 PRO C C 82 176.036 176.036 176.744 -0.708 18842 12033 1 19 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.167 -0.602 18842 12034 1 19 . 1 1 83 83 LYS N N 83 121.727 121.727 123.045 -1.318 18842 12035 1 19 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.159 0.392 18842 12036 1 19 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.649 -1.870 18842 12037 1 19 . 1 1 83 83 LYS H H 83 8.316 8.316 8.489 -0.173 18842 12038 1 19 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.494 -0.201 18842 12039 1 19 . 1 1 84 84 PRO C C 84 176.883 176.883 176.277 0.606 18842 12040 1 19 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.507 -0.031 18842 12041 1 19 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.416 0.026 18842 12042 1 19 . 1 1 85 85 GLN N N 85 121.423 121.423 121.804 -0.381 18842 12043 1 19 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.115 0.030 18842 12044 1 19 . 1 1 85 85 GLN C C 85 175.026 175.026 175.283 -0.257 18842 12045 1 19 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.722 -0.681 18842 12046 1 19 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.424 1.385 18842 12047 1 19 . 1 1 85 85 GLN H H 85 8.471 8.471 8.486 -0.015 18842 12048 1 19 . 1 1 86 86 ARG N N 86 120.972 120.972 121.669 -0.697 18842 12049 1 19 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.979 0.208 18842 12050 1 19 . 1 1 86 86 ARG C C 86 175.091 175.091 175.085 0.006 18842 12051 1 19 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.769 0.623 18842 12052 1 19 . 1 1 86 86 ARG CB C 86 33.428 33.428 33.818 -0.390 18842 12053 1 19 . 1 1 86 86 ARG H H 86 8.265 8.265 8.071 0.194 18842 12054 1 19 . 1 1 87 87 HIS N N 87 120.390 120.390 117.557 2.833 18842 12055 1 19 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.702 0.043 18842 12056 1 19 . 1 1 87 87 HIS C C 87 173.730 173.730 173.400 0.330 18842 12057 1 19 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.785 -0.578 18842 12058 1 19 . 1 1 87 87 HIS CB C 87 33.597 33.597 31.860 1.737 18842 12059 1 19 . 1 1 87 87 HIS H H 87 8.590 8.590 8.306 0.284 18842 12060 1 19 . 1 1 88 88 MET N N 88 126.611 126.611 123.947 2.664 18842 12061 1 19 . 1 1 88 88 MET HA H 88 5.320 5.320 4.323 0.997 18842 12062 1 19 . 1 1 88 88 MET C C 88 173.520 173.520 173.891 -0.371 18842 12063 1 19 . 1 1 88 88 MET CA C 88 54.782 54.782 55.294 -0.512 18842 12064 1 19 . 1 1 88 88 MET CB C 88 35.451 35.451 32.897 2.554 18842 12065 1 19 . 1 1 88 88 MET H H 88 8.716 8.716 8.671 0.045 18842 12066 1 19 . 1 1 89 89 PHE N N 89 122.328 122.328 125.962 -3.634 18842 12067 1 19 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.637 -0.427 18842 12068 1 19 . 1 1 89 89 PHE C C 89 174.448 174.448 175.664 -1.216 18842 12069 1 19 . 1 1 89 89 PHE CA C 89 56.452 56.452 54.944 1.508 18842 12070 1 19 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.377 2.712 18842 12071 1 19 . 1 1 89 89 PHE H H 89 8.989 8.989 8.991 -0.002 18842 12072 1 19 . 1 1 90 90 SER N N 90 116.094 116.094 118.379 -2.285 18842 12073 1 19 . 1 1 90 90 SER HA H 90 5.681 5.681 4.974 0.707 18842 12074 1 19 . 1 1 90 90 SER C C 90 173.094 173.094 173.530 -0.436 18842 12075 1 19 . 1 1 90 90 SER CA C 90 56.645 56.645 57.247 -0.602 18842 12076 1 19 . 1 1 90 90 SER CB C 90 64.824 64.824 64.569 0.255 18842 12077 1 19 . 1 1 90 90 SER H H 90 8.680 8.680 8.441 0.239 18842 12078 1 19 . 1 1 91 91 PHE N N 91 120.812 120.812 123.447 -2.635 18842 12079 1 19 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.740 0.154 18842 12080 1 19 . 1 1 91 91 PHE C C 91 174.500 174.500 175.804 -1.304 18842 12081 1 19 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.569 -0.167 18842 12082 1 19 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.252 2.075 18842 12083 1 19 . 1 1 91 91 PHE H H 91 9.050 9.050 8.529 0.521 18842 12084 1 19 . 1 1 92 92 ASN N N 92 115.876 115.876 116.149 -0.273 18842 12085 1 19 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.913 0.189 18842 12086 1 19 . 1 1 92 92 ASN C C 92 174.901 174.901 173.536 1.365 18842 12087 1 19 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.282 -1.075 18842 12088 1 19 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.160 -0.297 18842 12089 1 19 . 1 1 92 92 ASN H H 92 9.135 9.135 9.038 0.097 18842 12090 1 19 . 1 1 93 93 ASN N N 93 118.335 118.335 116.576 1.759 18842 12091 1 19 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.884 0.017 18842 12092 1 19 . 1 1 93 93 ASN C C 93 174.579 174.579 174.737 -0.158 18842 12093 1 19 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.808 0.220 18842 12094 1 19 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.857 0.945 18842 12095 1 19 . 1 1 93 93 ASN H H 93 7.271 7.271 7.830 -0.559 18842 12096 1 19 . 1 1 94 94 ARG N N 94 129.027 129.027 120.478 8.549 18842 12097 1 19 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.194 -0.329 18842 12098 1 19 . 1 1 94 94 ARG C C 94 176.782 176.782 177.539 -0.757 18842 12099 1 19 . 1 1 94 94 ARG CA C 94 59.051 59.051 59.758 -0.708 18842 12100 1 19 . 1 1 94 94 ARG H H 94 9.334 9.334 8.748 0.586 18842 12101 1 19 . 1 1 95 95 THR N N 95 115.756 115.756 116.034 -0.278 18842 12102 1 19 . 1 1 95 95 THR HA H 95 4.028 4.028 4.152 -0.124 18842 12103 1 19 . 1 1 95 95 THR C C 95 176.742 176.742 176.447 0.295 18842 12104 1 19 . 1 1 95 95 THR CA C 95 66.325 66.325 65.533 0.792 18842 12105 1 19 . 1 1 95 95 THR CB C 95 68.281 68.281 68.302 -0.021 18842 12106 1 19 . 1 1 95 95 THR H H 95 8.000 8.000 8.017 -0.017 18842 12107 1 19 . 1 1 96 96 VAL N N 96 121.852 121.852 121.988 -0.136 18842 12108 1 19 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.922 -0.126 18842 12109 1 19 . 1 1 96 96 VAL C C 96 177.587 177.587 176.626 0.961 18842 12110 1 19 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.315 -0.357 18842 12111 1 19 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.489 0.538 18842 12112 1 19 . 1 1 96 96 VAL H H 96 7.609 7.609 8.166 -0.557 18842 12113 1 19 . 1 1 97 97 MET N N 97 117.469 117.469 116.239 1.230 18842 12114 1 19 . 1 1 97 97 MET HA H 97 2.337 2.337 3.414 -1.077 18842 12115 1 19 . 1 1 97 97 MET C C 97 177.257 177.257 177.837 -0.580 18842 12116 1 19 . 1 1 97 97 MET H H 97 7.337 7.337 7.672 -0.335 18842 12117 1 19 . 1 1 98 98 ASP N N 98 118.162 118.162 120.022 -1.860 18842 12118 1 19 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.373 -0.057 18842 12119 1 19 . 1 1 98 98 ASP C C 98 178.771 178.771 178.674 0.097 18842 12120 1 19 . 1 1 98 98 ASP CA C 98 57.554 57.554 56.944 0.610 18842 12121 1 19 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.691 -0.912 18842 12122 1 19 . 1 1 98 98 ASP H H 98 8.729 8.729 7.921 0.808 18842 12123 1 19 . 1 1 99 99 ASN N N 99 120.303 120.303 118.839 1.464 18842 12124 1 19 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.487 -0.018 18842 12125 1 19 . 1 1 99 99 ASN C C 99 178.220 178.220 177.665 0.555 18842 12126 1 19 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.324 -0.230 18842 12127 1 19 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.578 -0.206 18842 12128 1 19 . 1 1 99 99 ASN H H 99 8.104 8.104 8.170 -0.066 18842 12129 1 19 . 1 1 100 100 ILE N N 100 121.160 121.160 120.204 0.956 18842 12130 1 19 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.821 -0.175 18842 12131 1 19 . 1 1 100 100 ILE C C 100 177.361 177.361 177.821 -0.460 18842 12132 1 19 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.038 -1.292 18842 12133 1 19 . 1 1 100 100 ILE CB C 100 35.702 35.702 36.768 -1.066 18842 12134 1 19 . 1 1 100 100 ILE H H 100 8.020 8.020 7.715 0.305 18842 12135 1 19 . 1 1 101 101 LYS N N 101 120.747 120.747 120.961 -0.214 18842 12136 1 19 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.950 -0.266 18842 12137 1 19 . 1 1 101 101 LYS C C 101 177.127 177.127 179.105 -1.978 18842 12138 1 19 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.662 0.498 18842 12139 1 19 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.335 0.662 18842 12140 1 19 . 1 1 101 101 LYS H H 101 8.907 8.907 8.064 0.843 18842 12141 1 19 . 1 1 102 102 MET N N 102 116.126 116.126 115.115 1.011 18842 12142 1 19 . 1 1 102 102 MET HA H 102 4.245 4.245 4.513 -0.268 18842 12143 1 19 . 1 1 102 102 MET C C 102 178.941 178.941 178.257 0.684 18842 12144 1 19 . 1 1 102 102 MET CA C 102 58.367 58.367 58.191 0.176 18842 12145 1 19 . 1 1 102 102 MET CB C 102 32.055 32.055 32.115 -0.060 18842 12146 1 19 . 1 1 102 102 MET H H 102 8.002 8.002 7.901 0.101 18842 12147 1 19 . 1 1 103 103 THR N N 103 117.988 117.988 117.968 0.020 18842 12148 1 19 . 1 1 103 103 THR HA H 103 3.861 3.861 4.021 -0.160 18842 12149 1 19 . 1 1 103 103 THR C C 103 176.493 176.493 176.936 -0.443 18842 12150 1 19 . 1 1 103 103 THR CA C 103 66.168 66.168 66.107 0.061 18842 12151 1 19 . 1 1 103 103 THR CB C 103 67.923 67.923 68.460 -0.537 18842 12152 1 19 . 1 1 103 103 THR H H 103 7.694 7.694 8.230 -0.536 18842 12153 1 19 . 1 1 104 104 LEU N N 104 119.248 119.248 120.825 -1.577 18842 12154 1 19 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.018 -0.138 18842 12155 1 19 . 1 1 104 104 LEU C C 104 178.072 178.072 178.842 -0.770 18842 12156 1 19 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.348 -0.302 18842 12157 1 19 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.548 1.346 18842 12158 1 19 . 1 1 104 104 LEU H H 104 8.530 8.530 8.524 0.006 18842 12159 1 19 . 1 1 105 105 GLN N N 105 119.071 119.071 118.111 0.960 18842 12160 1 19 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.841 0.127 18842 12161 1 19 . 1 1 105 105 GLN C C 105 178.675 178.675 178.334 0.341 18842 12162 1 19 . 1 1 105 105 GLN CA C 105 59.073 59.073 59.092 -0.018 18842 12163 1 19 . 1 1 105 105 GLN CB C 105 27.968 27.968 28.364 -0.396 18842 12164 1 19 . 1 1 105 105 GLN H H 105 8.623 8.623 7.701 0.922 18842 12165 1 19 . 1 1 106 106 GLN N N 106 117.946 117.946 117.664 0.282 18842 12166 1 19 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.044 -0.005 18842 12167 1 19 . 1 1 106 106 GLN C C 106 178.677 178.677 178.358 0.319 18842 12168 1 19 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.222 0.493 18842 12169 1 19 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.237 0.227 18842 12170 1 19 . 1 1 106 106 GLN H H 106 7.581 7.581 7.746 -0.165 18842 12171 1 19 . 1 1 107 107 ILE N N 107 120.013 120.013 118.736 1.277 18842 12172 1 19 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.633 -0.168 18842 12173 1 19 . 1 1 107 107 ILE C C 107 177.586 177.586 177.272 0.314 18842 12174 1 19 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.069 1.413 18842 12175 1 19 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.214 0.925 18842 12176 1 19 . 1 1 107 107 ILE H H 107 7.801 7.801 7.908 -0.107 18842 12177 1 19 . 1 1 108 108 ILE N N 108 117.686 117.686 121.534 -3.848 18842 12178 1 19 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.813 -0.029 18842 12179 1 19 . 1 1 108 108 ILE C C 108 179.171 179.171 178.849 0.322 18842 12180 1 19 . 1 1 108 108 ILE CA C 108 65.603 65.603 63.632 1.971 18842 12181 1 19 . 1 1 108 108 ILE CB C 108 38.241 38.241 36.788 1.453 18842 12182 1 19 . 1 1 108 108 ILE H H 108 8.734 8.734 8.009 0.725 18842 12183 1 19 . 1 1 109 109 SER N N 109 114.198 114.198 115.085 -0.887 18842 12184 1 19 . 1 1 109 109 SER HA H 109 4.214 4.214 4.126 0.088 18842 12185 1 19 . 1 1 109 109 SER C C 109 176.381 176.381 176.102 0.279 18842 12186 1 19 . 1 1 109 109 SER CA C 109 61.564 61.564 61.462 0.102 18842 12187 1 19 . 1 1 109 109 SER CB C 109 62.831 62.831 62.947 -0.116 18842 12188 1 19 . 1 1 109 109 SER H H 109 7.881 7.881 8.415 -0.534 18842 12189 1 19 . 1 1 110 110 ARG N N 110 121.010 121.010 120.894 0.116 18842 12190 1 19 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.941 0.196 18842 12191 1 19 . 1 1 110 110 ARG C C 110 178.636 178.636 178.073 0.563 18842 12192 1 19 . 1 1 110 110 ARG CA C 110 58.376 58.376 59.055 -0.679 18842 12193 1 19 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.425 0.425 18842 12194 1 19 . 1 1 110 110 ARG H H 110 7.550 7.550 7.500 0.050 18842 12195 1 19 . 1 1 111 111 TYR N N 111 117.243 117.243 118.026 -0.783 18842 12196 1 19 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.384 0.411 18842 12197 1 19 . 1 1 111 111 TYR C C 111 176.218 176.218 178.131 -1.913 18842 12198 1 19 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.816 -2.242 18842 12199 1 19 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.892 -0.400 18842 12200 1 19 . 1 1 111 111 TYR H H 111 7.496 7.496 7.434 0.062 18842 12201 1 19 . 1 1 112 112 LYS N N 112 121.040 121.040 120.045 0.995 18842 12202 1 19 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.084 0.250 18842 12203 1 19 . 1 1 112 112 LYS C C 112 177.437 177.437 178.376 -0.939 18842 12204 1 19 . 1 1 112 112 LYS CA C 112 57.630 57.630 58.962 -1.332 18842 12205 1 19 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.234 0.356 18842 12206 1 19 . 1 1 112 112 LYS H H 112 7.755 7.755 7.351 0.404 18842 12207 1 19 . 1 1 113 113 ASP N N 113 120.593 120.593 118.516 2.077 18842 12208 1 19 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.453 0.184 18842 12209 1 19 . 1 1 113 113 ASP C C 113 176.587 176.587 177.600 -1.013 18842 12210 1 19 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.583 0.510 18842 12211 1 19 . 1 1 113 113 ASP H H 113 8.246 8.246 8.430 -0.184 18842 12212 1 19 . 1 1 114 114 ALA N N 114 123.721 123.721 121.268 2.453 18842 12213 1 19 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.271 0.078 18842 12214 1 19 . 1 1 114 114 ALA C C 114 178.004 178.004 178.140 -0.136 18842 12215 1 19 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.657 0.229 18842 12216 1 19 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.575 -0.310 18842 12217 1 19 . 1 1 114 114 ALA H H 114 8.038 8.038 7.592 0.446 18842 12218 1 20 . 1 1 2 2 SER N N 2 113.417 113.417 115.914 -2.497 18842 12219 1 20 . 1 1 2 2 SER HA H 2 4.355 4.355 4.572 -0.217 18842 12220 1 20 . 1 1 2 2 SER CA C 2 58.647 58.647 58.480 0.167 18842 12221 1 20 . 1 1 2 2 SER CB C 2 63.504 63.504 64.049 -0.545 18842 12222 1 20 . 1 1 2 2 SER H H 2 8.096 8.096 8.661 -0.565 18842 12223 1 20 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.727 -0.050 18842 12224 1 20 . 1 1 3 3 HIS C C 3 173.601 173.601 173.331 0.270 18842 12225 1 20 . 1 1 3 3 HIS CA C 3 56.229 56.229 55.531 0.698 18842 12226 1 20 . 1 1 3 3 HIS CB C 3 31.323 31.323 29.321 2.002 18842 12227 1 20 . 1 1 4 4 SER N N 4 113.555 113.555 112.251 1.304 18842 12228 1 20 . 1 1 4 4 SER HA H 4 5.483 5.483 4.944 0.539 18842 12229 1 20 . 1 1 4 4 SER C C 4 173.624 173.624 172.800 0.824 18842 12230 1 20 . 1 1 4 4 SER CA C 4 56.904 56.904 57.903 -0.999 18842 12231 1 20 . 1 1 4 4 SER CB C 4 65.900 65.900 65.650 0.250 18842 12232 1 20 . 1 1 4 4 SER H H 4 7.865 7.865 7.906 -0.041 18842 12233 1 20 . 1 1 5 5 GLY N N 5 107.050 107.050 107.098 -0.048 18842 12234 1 20 . 1 1 5 5 GLY C C 5 170.915 170.915 172.081 -1.166 18842 12235 1 20 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.946 0.471 18842 12236 1 20 . 1 1 5 5 GLY H H 5 8.370 8.370 8.868 -0.498 18842 12237 1 20 . 1 1 6 6 ALA N N 6 125.347 125.347 123.123 2.224 18842 12238 1 20 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.665 0.288 18842 12239 1 20 . 1 1 6 6 ALA C C 6 176.816 176.816 176.223 0.593 18842 12240 1 20 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.292 0.313 18842 12241 1 20 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.014 0.359 18842 12242 1 20 . 1 1 6 6 ALA H H 6 8.671 8.671 8.476 0.195 18842 12243 1 20 . 1 1 7 7 ALA N N 7 120.077 120.077 125.964 -5.887 18842 12244 1 20 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.177 0.485 18842 12245 1 20 . 1 1 7 7 ALA C C 7 176.697 176.697 175.802 0.895 18842 12246 1 20 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.686 1.982 18842 12247 1 20 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.418 2.630 18842 12248 1 20 . 1 1 7 7 ALA H H 7 8.391 8.391 7.886 0.505 18842 12249 1 20 . 1 1 8 8 ILE N N 8 125.517 125.517 119.667 5.850 18842 12250 1 20 . 1 1 8 8 ILE HA H 8 4.987 4.987 4.929 0.058 18842 12251 1 20 . 1 1 8 8 ILE C C 8 175.327 175.327 174.248 1.079 18842 12252 1 20 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.937 -1.093 18842 12253 1 20 . 1 1 8 8 ILE CB C 8 39.589 39.589 41.376 -1.787 18842 12254 1 20 . 1 1 8 8 ILE H H 8 9.383 9.383 7.798 1.585 18842 12255 1 20 . 1 1 9 9 PHE N N 9 128.853 128.853 124.685 4.168 18842 12256 1 20 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.893 -0.576 18842 12257 1 20 . 1 1 9 9 PHE C C 9 173.920 173.920 174.424 -0.504 18842 12258 1 20 . 1 1 9 9 PHE CA C 9 56.118 56.118 55.768 0.350 18842 12259 1 20 . 1 1 9 9 PHE CB C 9 39.825 39.825 42.409 -2.584 18842 12260 1 20 . 1 1 9 9 PHE H H 9 8.467 8.467 9.297 -0.830 18842 12261 1 20 . 1 1 10 10 GLU N N 10 126.396 126.396 125.493 0.903 18842 12262 1 20 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.478 -0.276 18842 12263 1 20 . 1 1 10 10 GLU C C 10 175.226 175.226 175.828 -0.602 18842 12264 1 20 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.659 -0.979 18842 12265 1 20 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.538 -0.843 18842 12266 1 20 . 1 1 10 10 GLU H H 10 8.769 8.769 8.874 -0.105 18842 12267 1 20 . 1 1 11 11 LYS N N 11 105.585 105.585 110.118 -4.533 18842 12268 1 20 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.885 -0.483 18842 12269 1 20 . 1 1 11 11 LYS C C 11 175.596 175.596 175.081 0.515 18842 12270 1 20 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.659 0.789 18842 12271 1 20 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.646 -1.512 18842 12272 1 20 . 1 1 11 11 LYS H H 11 7.931 7.931 8.361 -0.430 18842 12273 1 20 . 1 1 12 12 VAL N N 12 123.819 123.819 121.768 2.051 18842 12274 1 20 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.342 0.075 18842 12275 1 20 . 1 1 12 12 VAL C C 12 175.188 175.188 174.691 0.497 18842 12276 1 20 . 1 1 12 12 VAL CA C 12 61.685 61.685 59.909 1.776 18842 12277 1 20 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.251 -0.071 18842 12278 1 20 . 1 1 12 12 VAL H H 12 7.954 7.954 7.986 -0.032 18842 12279 1 20 . 1 1 13 13 SER N N 13 121.981 121.981 123.202 -1.221 18842 12280 1 20 . 1 1 13 13 SER HA H 13 4.624 4.624 4.739 -0.115 18842 12281 1 20 . 1 1 13 13 SER C C 13 175.408 175.408 174.525 0.883 18842 12282 1 20 . 1 1 13 13 SER CA C 13 59.766 59.766 58.642 1.124 18842 12283 1 20 . 1 1 13 13 SER CB C 13 63.591 63.591 64.048 -0.457 18842 12284 1 20 . 1 1 13 13 SER H H 13 8.895 8.895 8.792 0.103 18842 12285 1 20 . 1 1 14 14 GLY N N 14 113.215 113.215 110.099 3.116 18842 12286 1 20 . 1 1 14 14 GLY C C 14 172.790 172.790 172.131 0.659 18842 12287 1 20 . 1 1 14 14 GLY CA C 14 46.537 46.537 45.315 1.222 18842 12288 1 20 . 1 1 14 14 GLY H H 14 8.287 8.287 9.098 -0.811 18842 12289 1 20 . 1 1 15 15 ILE N N 15 123.244 123.244 119.782 3.462 18842 12290 1 20 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.403 0.417 18842 12291 1 20 . 1 1 15 15 ILE C C 15 175.417 175.417 174.107 1.310 18842 12292 1 20 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.425 -0.122 18842 12293 1 20 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.107 1.689 18842 12294 1 20 . 1 1 15 15 ILE H H 15 8.330 8.330 7.743 0.587 18842 12295 1 20 . 1 1 16 16 ILE N N 16 127.640 127.640 128.675 -1.035 18842 12296 1 20 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.314 0.653 18842 12297 1 20 . 1 1 16 16 ILE C C 16 173.248 173.248 173.757 -0.509 18842 12298 1 20 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.037 -0.225 18842 12299 1 20 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.403 2.320 18842 12300 1 20 . 1 1 16 16 ILE H H 16 9.438 9.438 9.261 0.177 18842 12301 1 20 . 1 1 17 17 ALA N N 17 127.760 127.760 131.083 -3.323 18842 12302 1 20 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.973 0.132 18842 12303 1 20 . 1 1 17 17 ALA C C 17 177.510 177.510 175.827 1.683 18842 12304 1 20 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.464 0.981 18842 12305 1 20 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.361 -0.200 18842 12306 1 20 . 1 1 17 17 ALA H H 17 8.968 8.968 8.496 0.472 18842 12307 1 20 . 1 1 18 18 ILE N N 18 122.269 122.269 124.325 -2.056 18842 12308 1 20 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.414 0.177 18842 12309 1 20 . 1 1 18 18 ILE C C 18 174.334 174.334 175.794 -1.460 18842 12310 1 20 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.904 -0.248 18842 12311 1 20 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.077 0.987 18842 12312 1 20 . 1 1 18 18 ILE H H 18 8.665 8.665 8.299 0.366 18842 12313 1 20 . 1 1 19 19 ASN N N 19 127.568 127.568 127.025 0.543 18842 12314 1 20 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.758 0.322 18842 12315 1 20 . 1 1 19 19 ASN C C 19 174.784 174.784 175.267 -0.483 18842 12316 1 20 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.807 -1.169 18842 12317 1 20 . 1 1 19 19 ASN CB C 19 39.591 39.591 39.231 0.360 18842 12318 1 20 . 1 1 19 19 ASN H H 19 9.378 9.378 9.085 0.293 18842 12319 1 20 . 1 1 20 20 GLU N N 20 121.587 121.587 124.997 -3.410 18842 12320 1 20 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.344 0.359 18842 12321 1 20 . 1 1 20 20 GLU C C 20 176.152 176.152 176.029 0.123 18842 12322 1 20 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.379 -1.488 18842 12323 1 20 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.679 1.188 18842 12324 1 20 . 1 1 20 20 GLU H H 20 9.046 9.046 8.414 0.632 18842 12325 1 20 . 1 1 21 21 ASP N N 21 121.077 121.077 117.717 3.360 18842 12326 1 20 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.698 -0.079 18842 12327 1 20 . 1 1 21 21 ASP C C 21 175.688 175.688 176.921 -1.233 18842 12328 1 20 . 1 1 21 21 ASP CA C 21 55.512 55.512 55.129 0.383 18842 12329 1 20 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.483 -1.007 18842 12330 1 20 . 1 1 21 21 ASP H H 21 8.724 8.724 8.380 0.344 18842 12331 1 20 . 1 1 22 22 VAL N N 22 113.035 113.035 115.990 -2.955 18842 12332 1 20 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.329 -0.011 18842 12333 1 20 . 1 1 22 22 VAL C C 22 173.445 173.445 176.375 -2.930 18842 12334 1 20 . 1 1 22 22 VAL CA C 22 59.049 59.049 59.962 -0.913 18842 12335 1 20 . 1 1 22 22 VAL CB C 22 34.022 34.022 32.816 1.206 18842 12336 1 20 . 1 1 22 22 VAL H H 22 6.844 6.844 7.189 -0.345 18842 12337 1 20 . 1 1 23 23 SER N N 23 114.945 114.945 114.617 0.328 18842 12338 1 20 . 1 1 23 23 SER HA H 23 4.735 4.735 4.719 0.016 18842 12339 1 20 . 1 1 23 23 SER CA C 23 53.765 53.765 60.390 -6.625 18842 12340 1 20 . 1 1 23 23 SER CB C 23 64.743 64.743 61.813 2.930 18842 12341 1 20 . 1 1 23 23 SER H H 23 8.046 8.046 8.733 -0.687 18842 12342 1 20 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.840 -0.072 18842 12343 1 20 . 1 1 24 24 PRO C C 24 174.807 174.807 175.438 -0.631 18842 12344 1 20 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.730 0.030 18842 12345 1 20 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.783 2.958 18842 12346 1 20 . 1 1 25 25 ALA N N 25 120.415 120.415 118.090 2.325 18842 12347 1 20 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.184 0.331 18842 12348 1 20 . 1 1 25 25 ALA C C 25 175.790 175.790 176.265 -0.475 18842 12349 1 20 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.807 -0.274 18842 12350 1 20 . 1 1 25 25 ALA CB C 25 20.582 20.582 18.426 2.156 18842 12351 1 20 . 1 1 25 25 ALA H H 25 7.979 7.979 8.028 -0.049 18842 12352 1 20 . 1 1 26 26 GLU N N 26 115.395 115.395 122.272 -6.877 18842 12353 1 20 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.068 -0.029 18842 12354 1 20 . 1 1 26 26 GLU C C 26 174.619 174.619 175.090 -0.471 18842 12355 1 20 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.188 -0.159 18842 12356 1 20 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.308 1.308 18842 12357 1 20 . 1 1 26 26 GLU H H 26 7.851 7.851 8.013 -0.162 18842 12358 1 20 . 1 1 27 27 LEU N N 27 124.661 124.661 123.318 1.343 18842 12359 1 20 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.918 0.108 18842 12360 1 20 . 1 1 27 27 LEU C C 27 174.740 174.740 174.878 -0.138 18842 12361 1 20 . 1 1 27 27 LEU CA C 27 53.781 53.781 53.997 -0.216 18842 12362 1 20 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.679 0.930 18842 12363 1 20 . 1 1 27 27 LEU H H 27 8.898 8.898 9.448 -0.550 18842 12364 1 20 . 1 1 28 28 THR N N 28 121.731 121.731 124.847 -3.116 18842 12365 1 20 . 1 1 28 28 THR HA H 28 5.207 5.207 5.113 0.094 18842 12366 1 20 . 1 1 28 28 THR C C 28 172.661 172.661 173.740 -1.079 18842 12367 1 20 . 1 1 28 28 THR CA C 28 61.178 61.178 62.609 -1.431 18842 12368 1 20 . 1 1 28 28 THR CB C 28 71.422 71.422 69.174 2.248 18842 12369 1 20 . 1 1 28 28 THR H H 28 9.283 9.283 9.105 0.178 18842 12370 1 20 . 1 1 29 29 TRP N N 29 128.950 128.950 131.736 -2.786 18842 12371 1 20 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.144 0.287 18842 12372 1 20 . 1 1 29 29 TRP C C 29 173.939 173.939 174.479 -0.540 18842 12373 1 20 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.015 -0.233 18842 12374 1 20 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.540 1.637 18842 12375 1 20 . 1 1 29 29 TRP H H 29 9.399 9.399 9.458 -0.059 18842 12376 1 20 . 1 1 30 30 ARG N N 30 126.402 126.402 130.202 -3.800 18842 12377 1 20 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.364 0.465 18842 12378 1 20 . 1 1 30 30 ARG C C 30 174.751 174.751 175.955 -1.204 18842 12379 1 20 . 1 1 30 30 ARG CA C 30 53.389 53.389 53.882 -0.492 18842 12380 1 20 . 1 1 30 30 ARG CB C 30 33.818 33.818 31.074 2.744 18842 12381 1 20 . 1 1 30 30 ARG H H 30 7.613 7.613 9.136 -1.523 18842 12382 1 20 . 1 1 31 31 SER N N 31 118.353 118.353 120.153 -1.800 18842 12383 1 20 . 1 1 31 31 SER HA H 31 4.138 4.138 3.696 0.442 18842 12384 1 20 . 1 1 31 31 SER C C 31 176.426 176.426 175.011 1.415 18842 12385 1 20 . 1 1 31 31 SER CA C 31 58.013 58.013 59.018 -1.005 18842 12386 1 20 . 1 1 31 31 SER CB C 31 64.081 64.081 63.424 0.657 18842 12387 1 20 . 1 1 31 31 SER H H 31 8.086 8.086 8.175 -0.089 18842 12388 1 20 . 1 1 32 32 THR N N 32 119.213 119.213 116.620 2.593 18842 12389 1 20 . 1 1 32 32 THR HA H 32 3.856 3.856 4.194 -0.338 18842 12390 1 20 . 1 1 32 32 THR C C 32 175.664 175.664 175.357 0.307 18842 12391 1 20 . 1 1 32 32 THR CA C 32 66.142 66.142 64.724 1.418 18842 12392 1 20 . 1 1 32 32 THR CB C 32 68.446 68.446 68.836 -0.390 18842 12393 1 20 . 1 1 32 32 THR H H 32 8.556 8.556 8.246 0.310 18842 12394 1 20 . 1 1 33 33 ASP N N 33 117.260 117.260 120.118 -2.858 18842 12395 1 20 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.633 -0.006 18842 12396 1 20 . 1 1 33 33 ASP C C 33 177.098 177.098 177.240 -0.142 18842 12397 1 20 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.800 -0.433 18842 12398 1 20 . 1 1 33 33 ASP H H 33 8.236 8.236 7.860 0.376 18842 12399 1 20 . 1 1 34 34 GLY N N 34 109.136 109.136 107.764 1.372 18842 12400 1 20 . 1 1 34 34 GLY C C 34 173.778 173.778 174.691 -0.913 18842 12401 1 20 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.025 0.374 18842 12402 1 20 . 1 1 34 34 GLY H H 34 7.935 7.935 8.142 -0.207 18842 12403 1 20 . 1 1 35 35 ASP N N 35 117.913 117.913 119.854 -1.941 18842 12404 1 20 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.612 -0.082 18842 12405 1 20 . 1 1 35 35 ASP C C 35 175.403 175.403 175.245 0.158 18842 12406 1 20 . 1 1 35 35 ASP CA C 35 54.811 54.811 55.193 -0.382 18842 12407 1 20 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.670 -0.628 18842 12408 1 20 . 1 1 35 35 ASP H H 35 8.271 8.271 8.042 0.229 18842 12409 1 20 . 1 1 36 36 LYS N N 36 120.335 120.335 118.359 1.976 18842 12410 1 20 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.726 0.181 18842 12411 1 20 . 1 1 36 36 LYS C C 36 174.651 174.651 174.107 0.544 18842 12412 1 20 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.294 0.113 18842 12413 1 20 . 1 1 36 36 LYS CB C 36 35.834 35.834 36.150 -0.316 18842 12414 1 20 . 1 1 36 36 LYS H H 36 7.769 7.769 7.710 0.059 18842 12415 1 20 . 1 1 37 37 VAL N N 37 121.484 121.484 121.838 -0.354 18842 12416 1 20 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.114 0.201 18842 12417 1 20 . 1 1 37 37 VAL C C 37 175.069 175.069 174.920 0.149 18842 12418 1 20 . 1 1 37 37 VAL CA C 37 60.098 60.098 59.632 0.466 18842 12419 1 20 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.250 0.808 18842 12420 1 20 . 1 1 37 37 VAL H H 37 8.582 8.582 8.639 -0.057 18842 12421 1 20 . 1 1 38 38 HIS N N 38 125.660 125.660 124.030 1.630 18842 12422 1 20 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.887 0.197 18842 12423 1 20 . 1 1 38 38 HIS C C 38 173.268 173.268 173.141 0.127 18842 12424 1 20 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.931 0.137 18842 12425 1 20 . 1 1 38 38 HIS CB C 38 34.088 34.088 34.298 -0.210 18842 12426 1 20 . 1 1 38 38 HIS H H 38 9.621 9.621 8.963 0.658 18842 12427 1 20 . 1 1 39 39 THR N N 39 124.752 124.752 120.844 3.908 18842 12428 1 20 . 1 1 39 39 THR HA H 39 5.139 5.139 5.120 0.019 18842 12429 1 20 . 1 1 39 39 THR C C 39 173.208 173.208 173.399 -0.191 18842 12430 1 20 . 1 1 39 39 THR CA C 39 61.518 61.518 61.688 -0.170 18842 12431 1 20 . 1 1 39 39 THR CB C 39 70.665 70.665 70.077 0.588 18842 12432 1 20 . 1 1 39 39 THR H H 39 8.527 8.527 8.187 0.340 18842 12433 1 20 . 1 1 40 40 VAL N N 40 126.002 126.002 127.833 -1.831 18842 12434 1 20 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.336 -0.412 18842 12435 1 20 . 1 1 40 40 VAL C C 40 174.731 174.731 174.282 0.449 18842 12436 1 20 . 1 1 40 40 VAL CA C 40 60.350 60.350 61.156 -0.806 18842 12437 1 20 . 1 1 40 40 VAL CB C 40 34.365 34.365 34.479 -0.114 18842 12438 1 20 . 1 1 40 40 VAL H H 40 9.388 9.388 9.292 0.096 18842 12439 1 20 . 1 1 41 41 VAL N N 41 129.872 129.872 128.488 1.384 18842 12440 1 20 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.290 -0.306 18842 12441 1 20 . 1 1 41 41 VAL C C 41 179.410 179.410 176.897 2.513 18842 12442 1 20 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.682 1.934 18842 12443 1 20 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.112 -0.124 18842 12444 1 20 . 1 1 41 41 VAL H H 41 9.054 9.054 8.922 0.132 18842 12445 1 20 . 1 1 42 42 LEU N N 42 130.076 130.076 129.455 0.621 18842 12446 1 20 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.184 -0.230 18842 12447 1 20 . 1 1 42 42 LEU C C 42 176.121 176.121 178.459 -2.338 18842 12448 1 20 . 1 1 42 42 LEU CA C 42 58.622 58.622 57.106 1.516 18842 12449 1 20 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.423 0.400 18842 12450 1 20 . 1 1 42 42 LEU H H 42 9.193 9.193 8.211 0.982 18842 12451 1 20 . 1 1 43 43 SER N N 43 109.703 109.703 112.513 -2.810 18842 12452 1 20 . 1 1 43 43 SER HA H 43 3.944 3.944 3.047 0.897 18842 12453 1 20 . 1 1 43 43 SER C C 43 175.455 175.455 175.225 0.230 18842 12454 1 20 . 1 1 43 43 SER CA C 43 59.442 59.442 60.463 -1.021 18842 12455 1 20 . 1 1 43 43 SER CB C 43 61.299 61.299 62.712 -1.413 18842 12456 1 20 . 1 1 43 43 SER H H 43 6.961 6.961 8.413 -1.452 18842 12457 1 20 . 1 1 44 44 THR N N 44 110.409 110.409 112.533 -2.124 18842 12458 1 20 . 1 1 44 44 THR HA H 44 4.519 4.519 4.277 0.242 18842 12459 1 20 . 1 1 44 44 THR C C 44 173.493 173.493 175.068 -1.575 18842 12460 1 20 . 1 1 44 44 THR CA C 44 62.076 62.076 62.652 -0.576 18842 12461 1 20 . 1 1 44 44 THR CB C 44 69.788 69.788 69.605 0.183 18842 12462 1 20 . 1 1 44 44 THR H H 44 7.657 7.657 7.707 -0.050 18842 12463 1 20 . 1 1 45 45 ILE N N 45 120.972 120.972 123.512 -2.540 18842 12464 1 20 . 1 1 45 45 ILE HA H 45 4.325 4.325 3.985 0.340 18842 12465 1 20 . 1 1 45 45 ILE C C 45 173.882 173.882 176.361 -2.479 18842 12466 1 20 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.654 -3.614 18842 12467 1 20 . 1 1 45 45 ILE CB C 45 36.500 36.500 36.167 0.333 18842 12468 1 20 . 1 1 45 45 ILE H H 45 7.089 7.089 7.731 -0.642 18842 12469 1 20 . 1 1 46 46 ASP N N 46 126.759 126.759 129.447 -2.688 18842 12470 1 20 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.462 0.200 18842 12471 1 20 . 1 1 46 46 ASP C C 46 175.424 175.424 175.881 -0.457 18842 12472 1 20 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.013 -0.996 18842 12473 1 20 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.822 2.760 18842 12474 1 20 . 1 1 46 46 ASP H H 46 9.372 9.372 8.494 0.878 18842 12475 1 20 . 1 1 47 47 LYS N N 47 111.663 111.663 113.640 -1.977 18842 12476 1 20 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.522 0.231 18842 12477 1 20 . 1 1 47 47 LYS C C 47 172.574 172.574 173.849 -1.275 18842 12478 1 20 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.403 -0.788 18842 12479 1 20 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.680 1.516 18842 12480 1 20 . 1 1 47 47 LYS H H 47 7.522 7.522 7.530 -0.008 18842 12481 1 20 . 1 1 48 48 LEU N N 48 123.295 123.295 121.363 1.932 18842 12482 1 20 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.825 0.318 18842 12483 1 20 . 1 1 48 48 LEU C C 48 174.770 174.770 176.061 -1.291 18842 12484 1 20 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.851 -0.915 18842 12485 1 20 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.958 0.622 18842 12486 1 20 . 1 1 48 48 LEU H H 48 8.938 8.938 8.412 0.526 18842 12487 1 20 . 1 1 49 49 GLN N N 49 120.979 120.979 121.367 -0.388 18842 12488 1 20 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.643 0.869 18842 12489 1 20 . 1 1 49 49 GLN C C 49 174.626 174.626 174.057 0.569 18842 12490 1 20 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.823 -1.192 18842 12491 1 20 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.099 0.990 18842 12492 1 20 . 1 1 49 49 GLN H H 49 9.246 9.246 8.694 0.552 18842 12493 1 20 . 1 1 50 50 ALA N N 50 122.440 122.440 124.938 -2.498 18842 12494 1 20 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.601 1.207 18842 12495 1 20 . 1 1 50 50 ALA C C 50 177.277 177.277 176.147 1.130 18842 12496 1 20 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.375 -0.754 18842 12497 1 20 . 1 1 50 50 ALA CB C 50 24.523 24.523 22.114 2.409 18842 12498 1 20 . 1 1 50 50 ALA H H 50 9.365 9.365 8.246 1.119 18842 12499 1 20 . 1 1 51 51 THR N N 51 114.289 114.289 116.258 -1.969 18842 12500 1 20 . 1 1 51 51 THR HA H 51 4.615 4.615 4.633 -0.018 18842 12501 1 20 . 1 1 51 51 THR CA C 51 59.197 59.197 59.197 0.000 18842 12502 1 20 . 1 1 51 51 THR CB C 51 67.937 67.937 68.511 -0.574 18842 12503 1 20 . 1 1 51 51 THR H H 51 8.368 8.368 8.057 0.311 18842 12504 1 20 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.260 0.271 18842 12505 1 20 . 1 1 52 52 PRO C C 52 178.380 178.380 178.576 -0.196 18842 12506 1 20 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.764 -0.389 18842 12507 1 20 . 1 1 52 52 PRO CB C 52 32.640 32.640 31.961 0.679 18842 12508 1 20 . 1 1 53 53 ALA N N 53 126.235 126.235 122.499 3.736 18842 12509 1 20 . 1 1 53 53 ALA HA H 53 4.030 4.030 3.934 0.096 18842 12510 1 20 . 1 1 53 53 ALA C C 53 177.700 177.700 178.202 -0.502 18842 12511 1 20 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.339 0.456 18842 12512 1 20 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.381 -0.363 18842 12513 1 20 . 1 1 53 53 ALA H H 53 9.122 9.122 8.641 0.481 18842 12514 1 20 . 1 1 54 54 SER N N 54 107.216 107.216 110.590 -3.374 18842 12515 1 20 . 1 1 54 54 SER HA H 54 4.238 4.238 4.267 -0.029 18842 12516 1 20 . 1 1 54 54 SER C C 54 174.957 174.957 174.728 0.229 18842 12517 1 20 . 1 1 54 54 SER CA C 54 58.260 58.260 59.573 -1.313 18842 12518 1 20 . 1 1 54 54 SER CB C 54 63.120 63.120 63.270 -0.150 18842 12519 1 20 . 1 1 54 54 SER H H 54 7.620 7.620 7.861 -0.241 18842 12520 1 20 . 1 1 55 55 SER N N 55 117.523 117.523 117.242 0.281 18842 12521 1 20 . 1 1 55 55 SER HA H 55 4.469 4.469 4.496 -0.027 18842 12522 1 20 . 1 1 55 55 SER C C 55 174.952 174.952 174.861 0.091 18842 12523 1 20 . 1 1 55 55 SER CA C 55 57.500 57.500 57.807 -0.307 18842 12524 1 20 . 1 1 55 55 SER CB C 55 63.801 63.801 63.919 -0.118 18842 12525 1 20 . 1 1 55 55 SER H H 55 7.676 7.676 7.928 -0.252 18842 12526 1 20 . 1 1 56 56 GLU N N 56 124.557 124.557 126.182 -1.625 18842 12527 1 20 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.105 0.074 18842 12528 1 20 . 1 1 56 56 GLU C C 56 177.924 177.924 176.882 1.042 18842 12529 1 20 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.215 -0.555 18842 12530 1 20 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.711 0.118 18842 12531 1 20 . 1 1 56 56 GLU H H 56 8.844 8.844 8.752 0.092 18842 12532 1 20 . 1 1 57 57 LYS N N 57 119.220 119.220 119.205 0.015 18842 12533 1 20 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.545 -0.249 18842 12534 1 20 . 1 1 57 57 LYS C C 57 175.667 175.667 175.532 0.135 18842 12535 1 20 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.306 1.549 18842 12536 1 20 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.200 1.655 18842 12537 1 20 . 1 1 57 57 LYS H H 57 8.259 8.259 7.507 0.752 18842 12538 1 20 . 1 1 58 58 MET N N 58 123.270 123.270 126.207 -2.937 18842 12539 1 20 . 1 1 58 58 MET HA H 58 4.288 4.288 4.870 -0.582 18842 12540 1 20 . 1 1 58 58 MET C C 58 174.107 174.107 175.509 -1.402 18842 12541 1 20 . 1 1 58 58 MET CA C 58 55.067 55.067 55.407 -0.340 18842 12542 1 20 . 1 1 58 58 MET CB C 58 35.381 35.381 32.276 3.104 18842 12543 1 20 . 1 1 58 58 MET H H 58 8.811 8.811 9.039 -0.228 18842 12544 1 20 . 1 1 59 59 MET N N 59 120.490 120.490 122.364 -1.874 18842 12545 1 20 . 1 1 59 59 MET HA H 59 5.873 5.873 4.940 0.933 18842 12546 1 20 . 1 1 59 59 MET C C 59 174.459 174.459 173.974 0.485 18842 12547 1 20 . 1 1 59 59 MET CA C 59 54.903 54.903 55.402 -0.499 18842 12548 1 20 . 1 1 59 59 MET CB C 59 39.231 39.231 37.887 1.344 18842 12549 1 20 . 1 1 59 59 MET H H 59 8.395 8.395 9.370 -0.975 18842 12550 1 20 . 1 1 60 60 LEU N N 60 118.105 118.105 122.204 -4.099 18842 12551 1 20 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.880 0.784 18842 12552 1 20 . 1 1 60 60 LEU C C 60 175.664 175.664 175.274 0.390 18842 12553 1 20 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.734 -0.606 18842 12554 1 20 . 1 1 60 60 LEU CB C 60 47.435 47.435 44.676 2.759 18842 12555 1 20 . 1 1 60 60 LEU H H 60 9.103 9.103 9.295 -0.192 18842 12556 1 20 . 1 1 61 61 ARG N N 61 120.757 120.757 121.079 -0.322 18842 12557 1 20 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.072 0.386 18842 12558 1 20 . 1 1 61 61 ARG C C 61 173.515 173.515 174.202 -0.687 18842 12559 1 20 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.430 0.294 18842 12560 1 20 . 1 1 61 61 ARG CB C 61 35.132 35.132 34.034 1.098 18842 12561 1 20 . 1 1 61 61 ARG H H 61 9.287 9.287 8.157 1.130 18842 12562 1 20 . 1 1 62 62 LEU N N 62 127.139 127.139 123.500 3.639 18842 12563 1 20 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.774 0.255 18842 12564 1 20 . 1 1 62 62 LEU C C 62 175.440 175.440 175.125 0.315 18842 12565 1 20 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.592 0.808 18842 12566 1 20 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.116 -2.013 18842 12567 1 20 . 1 1 62 62 LEU H H 62 9.307 9.307 8.106 1.201 18842 12568 1 20 . 1 1 63 63 ILE N N 63 123.292 123.292 125.850 -2.558 18842 12569 1 20 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.229 0.359 18842 12570 1 20 . 1 1 63 63 ILE C C 63 176.319 176.319 175.666 0.653 18842 12571 1 20 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.182 0.205 18842 12572 1 20 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.042 0.079 18842 12573 1 20 . 1 1 63 63 ILE H H 63 8.891 8.891 8.617 0.274 18842 12574 1 20 . 1 1 64 64 GLY N N 64 115.565 115.565 114.829 0.736 18842 12575 1 20 . 1 1 64 64 GLY C C 64 172.551 172.551 173.240 -0.689 18842 12576 1 20 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.616 1.813 18842 12577 1 20 . 1 1 64 64 GLY H H 64 9.356 9.356 8.004 1.352 18842 12578 1 20 . 1 1 65 65 LYS N N 65 119.442 119.442 120.626 -1.184 18842 12579 1 20 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.213 0.082 18842 12580 1 20 . 1 1 65 65 LYS C C 65 176.205 176.205 176.449 -0.244 18842 12581 1 20 . 1 1 65 65 LYS CA C 65 56.588 56.588 57.638 -1.050 18842 12582 1 20 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.988 1.365 18842 12583 1 20 . 1 1 65 65 LYS H H 65 8.361 8.361 8.240 0.121 18842 12584 1 20 . 1 1 66 66 VAL N N 66 122.131 122.131 125.076 -2.945 18842 12585 1 20 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.182 -0.096 18842 12586 1 20 . 1 1 66 66 VAL C C 66 175.265 175.265 174.400 0.865 18842 12587 1 20 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.620 0.443 18842 12588 1 20 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.412 -0.148 18842 12589 1 20 . 1 1 66 66 VAL H H 66 8.637 8.637 8.218 0.419 18842 12590 1 20 . 1 1 67 67 ASP N N 67 125.510 125.510 118.547 6.963 18842 12591 1 20 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.574 0.153 18842 12592 1 20 . 1 1 67 67 ASP C C 67 176.708 176.708 174.220 2.488 18842 12593 1 20 . 1 1 67 67 ASP CA C 67 53.140 53.140 53.815 -0.675 18842 12594 1 20 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.984 -1.054 18842 12595 1 20 . 1 1 67 67 ASP H H 67 8.460 8.460 8.344 0.116 18842 12596 1 20 . 1 1 68 68 GLU N N 68 124.449 124.449 117.395 7.054 18842 12597 1 20 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.402 -0.314 18842 12598 1 20 . 1 1 68 68 GLU C C 68 177.451 177.451 174.981 2.470 18842 12599 1 20 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.829 1.026 18842 12600 1 20 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.646 0.031 18842 12601 1 20 . 1 1 68 68 GLU H H 68 8.752 8.752 8.485 0.267 18842 12602 1 20 . 1 1 69 69 SER N N 69 115.515 115.515 113.444 2.071 18842 12603 1 20 . 1 1 69 69 SER HA H 69 4.329 4.329 4.573 -0.244 18842 12604 1 20 . 1 1 69 69 SER C C 69 175.277 175.277 174.294 0.983 18842 12605 1 20 . 1 1 69 69 SER CA C 69 60.139 60.139 59.236 0.903 18842 12606 1 20 . 1 1 69 69 SER CB C 69 63.223 63.223 63.518 -0.295 18842 12607 1 20 . 1 1 69 69 SER H H 69 8.497 8.497 8.322 0.175 18842 12608 1 20 . 1 1 70 70 LYS N N 70 121.733 121.733 120.534 1.199 18842 12609 1 20 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.478 -0.068 18842 12610 1 20 . 1 1 70 70 LYS C C 70 177.124 177.124 176.144 0.980 18842 12611 1 20 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.558 -1.234 18842 12612 1 20 . 1 1 70 70 LYS H H 70 7.689 7.689 8.169 -0.480 18842 12613 1 20 . 1 1 71 71 LYS N N 71 121.012 121.012 118.366 2.646 18842 12614 1 20 . 1 1 71 71 LYS HA H 71 4.407 4.407 3.927 0.480 18842 12615 1 20 . 1 1 71 71 LYS C C 71 176.175 176.175 175.641 0.534 18842 12616 1 20 . 1 1 71 71 LYS CA C 71 56.612 56.612 57.667 -1.055 18842 12617 1 20 . 1 1 71 71 LYS H H 71 7.750 7.750 8.116 -0.365 18842 12618 1 20 . 1 1 72 72 ARG N N 72 122.064 122.064 117.757 4.307 18842 12619 1 20 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.645 -0.044 18842 12620 1 20 . 1 1 72 72 ARG C C 72 175.228 175.228 174.568 0.660 18842 12621 1 20 . 1 1 72 72 ARG CA C 72 54.929 54.929 55.000 -0.071 18842 12622 1 20 . 1 1 72 72 ARG CB C 72 32.325 32.325 33.613 -1.288 18842 12623 1 20 . 1 1 72 72 ARG H H 72 8.420 8.420 8.681 -0.261 18842 12624 1 20 . 1 1 73 73 LYS N N 73 121.217 121.217 117.896 3.321 18842 12625 1 20 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.995 -0.062 18842 12626 1 20 . 1 1 73 73 LYS C C 73 177.010 177.010 175.949 1.061 18842 12627 1 20 . 1 1 73 73 LYS CA C 73 55.205 55.205 54.981 0.224 18842 12628 1 20 . 1 1 73 73 LYS CB C 73 34.680 34.680 34.523 0.157 18842 12629 1 20 . 1 1 73 73 LYS H H 73 8.401 8.401 8.361 0.040 18842 12630 1 20 . 1 1 74 74 ASP N N 74 122.025 122.025 120.634 1.391 18842 12631 1 20 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.694 0.016 18842 12632 1 20 . 1 1 74 74 ASP C C 74 177.475 177.475 176.202 1.273 18842 12633 1 20 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.724 -0.968 18842 12634 1 20 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.461 -0.439 18842 12635 1 20 . 1 1 74 74 ASP H H 74 8.582 8.582 8.504 0.078 18842 12636 1 20 . 1 1 75 75 ASN N N 75 116.228 116.228 115.199 1.029 18842 12637 1 20 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.398 0.138 18842 12638 1 20 . 1 1 75 75 ASN C C 75 175.999 175.999 174.800 1.199 18842 12639 1 20 . 1 1 75 75 ASN CA C 75 54.853 54.853 55.019 -0.166 18842 12640 1 20 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.353 0.778 18842 12641 1 20 . 1 1 75 75 ASN H H 75 8.433 8.433 8.858 -0.425 18842 12642 1 20 . 1 1 76 76 GLU N N 76 118.958 118.958 118.041 0.917 18842 12643 1 20 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.508 -0.127 18842 12644 1 20 . 1 1 76 76 GLU C C 76 176.556 176.556 176.862 -0.306 18842 12645 1 20 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.509 -0.346 18842 12646 1 20 . 1 1 76 76 GLU H H 76 8.162 8.162 8.431 -0.269 18842 12647 1 20 . 1 1 77 77 GLY N N 77 108.062 108.062 107.144 0.918 18842 12648 1 20 . 1 1 77 77 GLY C C 77 174.247 174.247 174.006 0.241 18842 12649 1 20 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.775 0.435 18842 12650 1 20 . 1 1 77 77 GLY H H 77 8.106 8.106 8.154 -0.048 18842 12651 1 20 . 1 1 78 78 ASN N N 78 119.929 119.929 120.063 -0.134 18842 12652 1 20 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.718 0.028 18842 12653 1 20 . 1 1 78 78 ASN C C 78 175.035 175.035 174.064 0.971 18842 12654 1 20 . 1 1 78 78 ASN CA C 78 52.795 52.795 53.413 -0.618 18842 12655 1 20 . 1 1 78 78 ASN CB C 78 38.945 38.945 39.349 -0.404 18842 12656 1 20 . 1 1 78 78 ASN H H 78 8.569 8.569 8.402 0.167 18842 12657 1 20 . 1 1 79 79 GLU N N 79 121.658 121.658 118.856 2.802 18842 12658 1 20 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.908 -0.427 18842 12659 1 20 . 1 1 79 79 GLU C C 79 176.302 176.302 175.766 0.536 18842 12660 1 20 . 1 1 79 79 GLU CA C 79 56.662 56.662 55.343 1.319 18842 12661 1 20 . 1 1 79 79 GLU CB C 79 30.643 30.643 31.439 -0.796 18842 12662 1 20 . 1 1 79 79 GLU H H 79 8.691 8.691 8.471 0.220 18842 12663 1 20 . 1 1 80 80 VAL N N 80 123.997 123.997 118.686 5.311 18842 12664 1 20 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.520 -0.265 18842 12665 1 20 . 1 1 80 80 VAL C C 80 175.544 175.544 173.739 1.805 18842 12666 1 20 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.292 1.001 18842 12667 1 20 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.984 -1.441 18842 12668 1 20 . 1 1 80 80 VAL H H 80 8.581 8.581 8.997 -0.416 18842 12669 1 20 . 1 1 81 81 VAL N N 81 126.545 126.545 119.564 6.981 18842 12670 1 20 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.445 -0.019 18842 12671 1 20 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.646 -0.095 18842 12672 1 20 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.429 0.465 18842 12673 1 20 . 1 1 81 81 VAL H H 81 8.407 8.407 8.152 0.255 18842 12674 1 20 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.436 -0.004 18842 12675 1 20 . 1 1 82 82 PRO C C 82 176.036 176.036 176.682 -0.646 18842 12676 1 20 . 1 1 82 82 PRO CA C 82 62.565 62.565 62.798 -0.233 18842 12677 1 20 . 1 1 83 83 LYS N N 83 121.727 121.727 124.114 -2.387 18842 12678 1 20 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.321 0.230 18842 12679 1 20 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.301 -1.522 18842 12680 1 20 . 1 1 83 83 LYS H H 83 8.316 8.316 8.298 0.018 18842 12681 1 20 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.384 -0.091 18842 12682 1 20 . 1 1 84 84 PRO C C 84 176.883 176.883 176.207 0.676 18842 12683 1 20 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.770 -0.294 18842 12684 1 20 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.335 0.106 18842 12685 1 20 . 1 1 85 85 GLN N N 85 121.423 121.423 123.268 -1.845 18842 12686 1 20 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.067 0.078 18842 12687 1 20 . 1 1 85 85 GLN C C 85 175.026 175.026 175.011 0.015 18842 12688 1 20 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.946 -0.905 18842 12689 1 20 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.400 1.409 18842 12690 1 20 . 1 1 85 85 GLN H H 85 8.471 8.471 8.543 -0.072 18842 12691 1 20 . 1 1 86 86 ARG N N 86 120.972 120.972 121.157 -0.185 18842 12692 1 20 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.972 0.215 18842 12693 1 20 . 1 1 86 86 ARG C C 86 175.091 175.091 174.748 0.343 18842 12694 1 20 . 1 1 86 86 ARG CA C 86 54.392 54.392 53.824 0.568 18842 12695 1 20 . 1 1 86 86 ARG CB C 86 33.428 33.428 34.131 -0.703 18842 12696 1 20 . 1 1 86 86 ARG H H 86 8.265 8.265 7.958 0.307 18842 12697 1 20 . 1 1 87 87 HIS N N 87 120.390 120.390 117.931 2.459 18842 12698 1 20 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.717 0.028 18842 12699 1 20 . 1 1 87 87 HIS C C 87 173.730 173.730 173.319 0.411 18842 12700 1 20 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.575 -0.368 18842 12701 1 20 . 1 1 87 87 HIS CB C 87 33.597 33.597 31.916 1.681 18842 12702 1 20 . 1 1 87 87 HIS H H 87 8.590 8.590 8.192 0.398 18842 12703 1 20 . 1 1 88 88 MET N N 88 126.611 126.611 123.420 3.191 18842 12704 1 20 . 1 1 88 88 MET HA H 88 5.320 5.320 4.344 0.976 18842 12705 1 20 . 1 1 88 88 MET C C 88 173.520 173.520 174.019 -0.499 18842 12706 1 20 . 1 1 88 88 MET CA C 88 54.782 54.782 55.336 -0.554 18842 12707 1 20 . 1 1 88 88 MET CB C 88 35.451 35.451 32.920 2.530 18842 12708 1 20 . 1 1 88 88 MET H H 88 8.716 8.716 8.760 -0.044 18842 12709 1 20 . 1 1 89 89 PHE N N 89 122.328 122.328 126.103 -3.775 18842 12710 1 20 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.604 -0.394 18842 12711 1 20 . 1 1 89 89 PHE C C 89 174.448 174.448 175.407 -0.959 18842 12712 1 20 . 1 1 89 89 PHE CA C 89 56.452 56.452 54.786 1.666 18842 12713 1 20 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.096 2.992 18842 12714 1 20 . 1 1 89 89 PHE H H 89 8.989 8.989 8.579 0.410 18842 12715 1 20 . 1 1 90 90 SER N N 90 116.094 116.094 117.889 -1.795 18842 12716 1 20 . 1 1 90 90 SER HA H 90 5.681 5.681 4.999 0.682 18842 12717 1 20 . 1 1 90 90 SER C C 90 173.094 173.094 173.695 -0.601 18842 12718 1 20 . 1 1 90 90 SER CA C 90 56.645 56.645 57.306 -0.660 18842 12719 1 20 . 1 1 90 90 SER CB C 90 64.824 64.824 64.686 0.137 18842 12720 1 20 . 1 1 90 90 SER H H 90 8.680 8.680 8.438 0.242 18842 12721 1 20 . 1 1 91 91 PHE N N 91 120.812 120.812 123.777 -2.965 18842 12722 1 20 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.725 0.169 18842 12723 1 20 . 1 1 91 91 PHE C C 91 174.500 174.500 175.273 -0.773 18842 12724 1 20 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.600 -0.198 18842 12725 1 20 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.376 1.951 18842 12726 1 20 . 1 1 91 91 PHE H H 91 9.050 9.050 8.262 0.788 18842 12727 1 20 . 1 1 92 92 ASN N N 92 115.876 115.876 117.221 -1.345 18842 12728 1 20 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.916 0.186 18842 12729 1 20 . 1 1 92 92 ASN C C 92 174.901 174.901 173.598 1.303 18842 12730 1 20 . 1 1 92 92 ASN CA C 92 52.207 52.207 52.812 -0.605 18842 12731 1 20 . 1 1 92 92 ASN CB C 92 39.864 39.864 40.016 -0.152 18842 12732 1 20 . 1 1 92 92 ASN H H 92 9.135 9.135 9.113 0.022 18842 12733 1 20 . 1 1 93 93 ASN N N 93 118.335 118.335 117.335 1.000 18842 12734 1 20 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.891 0.010 18842 12735 1 20 . 1 1 93 93 ASN C C 93 174.579 174.579 174.936 -0.357 18842 12736 1 20 . 1 1 93 93 ASN CA C 93 53.028 53.028 53.182 -0.154 18842 12737 1 20 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.678 1.124 18842 12738 1 20 . 1 1 93 93 ASN H H 93 7.271 7.271 7.756 -0.485 18842 12739 1 20 . 1 1 94 94 ARG N N 94 129.027 129.027 121.249 7.778 18842 12740 1 20 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.271 -0.406 18842 12741 1 20 . 1 1 94 94 ARG C C 94 176.782 176.782 177.466 -0.684 18842 12742 1 20 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.585 0.466 18842 12743 1 20 . 1 1 94 94 ARG H H 94 9.334 9.334 8.767 0.567 18842 12744 1 20 . 1 1 95 95 THR N N 95 115.756 115.756 115.458 0.298 18842 12745 1 20 . 1 1 95 95 THR HA H 95 4.028 4.028 4.220 -0.192 18842 12746 1 20 . 1 1 95 95 THR C C 95 176.742 176.742 176.494 0.248 18842 12747 1 20 . 1 1 95 95 THR CA C 95 66.325 66.325 66.168 0.157 18842 12748 1 20 . 1 1 95 95 THR CB C 95 68.281 68.281 68.527 -0.246 18842 12749 1 20 . 1 1 95 95 THR H H 95 8.000 8.000 8.139 -0.139 18842 12750 1 20 . 1 1 96 96 VAL N N 96 121.852 121.852 121.816 0.036 18842 12751 1 20 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.879 -0.083 18842 12752 1 20 . 1 1 96 96 VAL C C 96 177.587 177.587 176.722 0.865 18842 12753 1 20 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.704 -0.746 18842 12754 1 20 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.959 0.068 18842 12755 1 20 . 1 1 96 96 VAL H H 96 7.609 7.609 8.252 -0.643 18842 12756 1 20 . 1 1 97 97 MET N N 97 117.469 117.469 116.045 1.424 18842 12757 1 20 . 1 1 97 97 MET HA H 97 2.337 2.337 3.609 -1.272 18842 12758 1 20 . 1 1 97 97 MET C C 97 177.257 177.257 177.942 -0.685 18842 12759 1 20 . 1 1 97 97 MET H H 97 7.337 7.337 7.814 -0.477 18842 12760 1 20 . 1 1 98 98 ASP N N 98 118.162 118.162 120.481 -2.319 18842 12761 1 20 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.403 -0.087 18842 12762 1 20 . 1 1 98 98 ASP C C 98 178.771 178.771 178.615 0.156 18842 12763 1 20 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.272 0.282 18842 12764 1 20 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.530 -0.751 18842 12765 1 20 . 1 1 98 98 ASP H H 98 8.729 8.729 7.764 0.965 18842 12766 1 20 . 1 1 99 99 ASN N N 99 120.303 120.303 119.434 0.869 18842 12767 1 20 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.463 0.006 18842 12768 1 20 . 1 1 99 99 ASN C C 99 178.220 178.220 177.463 0.757 18842 12769 1 20 . 1 1 99 99 ASN CA C 99 56.094 56.094 56.045 0.049 18842 12770 1 20 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.313 0.059 18842 12771 1 20 . 1 1 99 99 ASN H H 99 8.104 8.104 8.253 -0.149 18842 12772 1 20 . 1 1 100 100 ILE N N 100 121.160 121.160 120.795 0.365 18842 12773 1 20 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.681 -0.035 18842 12774 1 20 . 1 1 100 100 ILE C C 100 177.361 177.361 177.940 -0.579 18842 12775 1 20 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.425 -1.679 18842 12776 1 20 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.687 -1.985 18842 12777 1 20 . 1 1 100 100 ILE H H 100 8.020 8.020 7.672 0.348 18842 12778 1 20 . 1 1 101 101 LYS N N 101 120.747 120.747 120.574 0.173 18842 12779 1 20 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.790 -0.106 18842 12780 1 20 . 1 1 101 101 LYS C C 101 177.127 177.127 178.883 -1.756 18842 12781 1 20 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.632 0.528 18842 12782 1 20 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.265 0.732 18842 12783 1 20 . 1 1 101 101 LYS H H 101 8.907 8.907 7.580 1.327 18842 12784 1 20 . 1 1 102 102 MET N N 102 116.126 116.126 114.587 1.539 18842 12785 1 20 . 1 1 102 102 MET HA H 102 4.245 4.245 4.464 -0.219 18842 12786 1 20 . 1 1 102 102 MET C C 102 178.941 178.941 178.274 0.667 18842 12787 1 20 . 1 1 102 102 MET CA C 102 58.367 58.367 58.544 -0.177 18842 12788 1 20 . 1 1 102 102 MET CB C 102 32.055 32.055 32.681 -0.626 18842 12789 1 20 . 1 1 102 102 MET H H 102 8.002 8.002 7.739 0.263 18842 12790 1 20 . 1 1 103 103 THR N N 103 117.988 117.988 117.746 0.242 18842 12791 1 20 . 1 1 103 103 THR HA H 103 3.861 3.861 3.833 0.028 18842 12792 1 20 . 1 1 103 103 THR C C 103 176.493 176.493 177.275 -0.782 18842 12793 1 20 . 1 1 103 103 THR CA C 103 66.168 66.168 66.488 -0.320 18842 12794 1 20 . 1 1 103 103 THR CB C 103 67.923 67.923 68.406 -0.483 18842 12795 1 20 . 1 1 103 103 THR H H 103 7.694 7.694 8.614 -0.920 18842 12796 1 20 . 1 1 104 104 LEU N N 104 119.248 119.248 121.194 -1.946 18842 12797 1 20 . 1 1 104 104 LEU HA H 104 3.880 3.880 3.904 -0.024 18842 12798 1 20 . 1 1 104 104 LEU C C 104 178.072 178.072 178.569 -0.497 18842 12799 1 20 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.679 -0.633 18842 12800 1 20 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.397 1.497 18842 12801 1 20 . 1 1 104 104 LEU H H 104 8.530 8.530 8.230 0.300 18842 12802 1 20 . 1 1 105 105 GLN N N 105 119.071 119.071 117.708 1.363 18842 12803 1 20 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.829 0.139 18842 12804 1 20 . 1 1 105 105 GLN C C 105 178.675 178.675 178.253 0.422 18842 12805 1 20 . 1 1 105 105 GLN CA C 105 59.073 59.073 59.116 -0.043 18842 12806 1 20 . 1 1 105 105 GLN CB C 105 27.968 27.968 28.269 -0.301 18842 12807 1 20 . 1 1 105 105 GLN H H 105 8.623 8.623 7.889 0.734 18842 12808 1 20 . 1 1 106 106 GLN N N 106 117.946 117.946 117.864 0.082 18842 12809 1 20 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.040 -0.001 18842 12810 1 20 . 1 1 106 106 GLN C C 106 178.677 178.677 178.246 0.431 18842 12811 1 20 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.320 0.395 18842 12812 1 20 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.063 0.401 18842 12813 1 20 . 1 1 106 106 GLN H H 106 7.581 7.581 7.865 -0.284 18842 12814 1 20 . 1 1 107 107 ILE N N 107 120.013 120.013 118.414 1.599 18842 12815 1 20 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.728 -0.263 18842 12816 1 20 . 1 1 107 107 ILE C C 107 177.586 177.586 177.287 0.299 18842 12817 1 20 . 1 1 107 107 ILE CA C 107 65.482 65.482 63.673 1.809 18842 12818 1 20 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.483 0.656 18842 12819 1 20 . 1 1 107 107 ILE H H 107 7.801 7.801 7.736 0.065 18842 12820 1 20 . 1 1 108 108 ILE N N 108 117.686 117.686 120.752 -3.066 18842 12821 1 20 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.740 0.044 18842 12822 1 20 . 1 1 108 108 ILE C C 108 179.171 179.171 178.522 0.649 18842 12823 1 20 . 1 1 108 108 ILE CA C 108 65.603 65.603 65.556 0.047 18842 12824 1 20 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.766 0.475 18842 12825 1 20 . 1 1 108 108 ILE H H 108 8.734 8.734 8.121 0.613 18842 12826 1 20 . 1 1 109 109 SER N N 109 114.198 114.198 115.022 -0.824 18842 12827 1 20 . 1 1 109 109 SER HA H 109 4.214 4.214 4.099 0.115 18842 12828 1 20 . 1 1 109 109 SER C C 109 176.381 176.381 176.327 0.054 18842 12829 1 20 . 1 1 109 109 SER CA C 109 61.564 61.564 61.575 -0.012 18842 12830 1 20 . 1 1 109 109 SER CB C 109 62.831 62.831 62.753 0.078 18842 12831 1 20 . 1 1 109 109 SER H H 109 7.881 7.881 8.495 -0.614 18842 12832 1 20 . 1 1 110 110 ARG N N 110 121.010 121.010 120.357 0.653 18842 12833 1 20 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.879 0.258 18842 12834 1 20 . 1 1 110 110 ARG C C 110 178.636 178.636 178.962 -0.326 18842 12835 1 20 . 1 1 110 110 ARG CA C 110 58.376 58.376 59.082 -0.706 18842 12836 1 20 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.724 0.126 18842 12837 1 20 . 1 1 110 110 ARG H H 110 7.550 7.550 7.590 -0.040 18842 12838 1 20 . 1 1 111 111 TYR N N 111 117.243 117.243 117.609 -0.366 18842 12839 1 20 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.390 0.405 18842 12840 1 20 . 1 1 111 111 TYR C C 111 176.218 176.218 176.845 -0.627 18842 12841 1 20 . 1 1 111 111 TYR CA C 111 57.574 57.574 59.858 -2.284 18842 12842 1 20 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.796 -0.304 18842 12843 1 20 . 1 1 111 111 TYR H H 111 7.496 7.496 7.629 -0.133 18842 12844 1 20 . 1 1 112 112 LYS N N 112 121.040 121.040 119.221 1.819 18842 12845 1 20 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.079 0.255 18842 12846 1 20 . 1 1 112 112 LYS C C 112 177.437 177.437 178.140 -0.703 18842 12847 1 20 . 1 1 112 112 LYS CA C 112 57.630 57.630 58.477 -0.848 18842 12848 1 20 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.188 0.402 18842 12849 1 20 . 1 1 112 112 LYS H H 112 7.755 7.755 7.389 0.366 18842 12850 1 20 . 1 1 113 113 ASP N N 113 120.593 120.593 119.278 1.315 18842 12851 1 20 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.440 0.197 18842 12852 1 20 . 1 1 113 113 ASP C C 113 176.587 176.587 177.359 -0.772 18842 12853 1 20 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.795 0.298 18842 12854 1 20 . 1 1 113 113 ASP H H 113 8.246 8.246 8.304 -0.058 18842 12855 1 20 . 1 1 114 114 ALA N N 114 123.721 123.721 120.426 3.295 18842 12856 1 20 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.303 0.046 18842 12857 1 20 . 1 1 114 114 ALA C C 114 178.004 178.004 177.539 0.465 18842 12858 1 20 . 1 1 114 114 ALA CA C 114 52.886 52.886 52.319 0.567 18842 12859 1 20 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.636 -0.371 18842 12860 1 20 . 1 1 114 114 ALA H H 114 8.038 8.038 7.602 0.436 18842 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 108 3.090 0.031 3.104 18842 2 1 1 "Average Difference" HA 118 0.363 -0.077 0.356 18842 3 1 1 "Average Difference" C 108 0.985 -0.033 0.989 18842 4 1 1 "Average Difference" CA 111 1.253 0.105 1.255 18842 5 1 1 "Average Difference" CB 100 1.346 -0.426 1.283 18842 6 1 1 "Average Difference" HN 108 0.521 -0.096 0.514 18842 7 1 2 "Average Difference" N 108 2.856 0.197 2.862 18842 8 1 2 "Average Difference" HA 118 0.374 -0.080 0.367 18842 9 1 2 "Average Difference" C 108 0.967 0.016 0.972 18842 10 1 2 "Average Difference" CA 111 1.209 0.153 1.205 18842 11 1 2 "Average Difference" CB 100 1.381 -0.561 1.268 18842 12 1 2 "Average Difference" HN 108 0.491 -0.052 0.490 18842 13 1 3 "Average Difference" N 108 3.168 0.090 3.181 18842 14 1 3 "Average Difference" HA 118 0.397 -0.066 0.393 18842 15 1 3 "Average Difference" C 108 0.982 -0.046 0.985 18842 16 1 3 "Average Difference" CA 111 1.199 0.067 1.203 18842 17 1 3 "Average Difference" CB 100 1.395 -0.489 1.313 18842 18 1 3 "Average Difference" HN 108 0.515 -0.086 0.510 18842 19 1 4 "Average Difference" N 108 3.062 0.154 3.072 18842 20 1 4 "Average Difference" HA 118 0.404 -0.062 0.401 18842 21 1 4 "Average Difference" C 108 0.981 -0.043 0.984 18842 22 1 4 "Average Difference" CA 111 1.201 0.081 1.204 18842 23 1 4 "Average Difference" CB 100 1.330 -0.445 1.260 18842 24 1 4 "Average Difference" HN 108 0.504 -0.047 0.504 18842 25 1 5 "Average Difference" N 108 3.011 0.000 3.025 18842 26 1 5 "Average Difference" HA 118 0.373 -0.087 0.364 18842 27 1 5 "Average Difference" C 108 0.967 -0.033 0.971 18842 28 1 5 "Average Difference" CA 111 1.169 0.120 1.168 18842 29 1 5 "Average Difference" CB 100 1.365 -0.543 1.258 18842 30 1 5 "Average Difference" HN 108 0.520 -0.087 0.515 18842 31 1 6 "Average Difference" N 108 2.908 0.002 2.922 18842 32 1 6 "Average Difference" HA 118 0.383 -0.063 0.380 18842 33 1 6 "Average Difference" C 108 0.969 -0.022 0.973 18842 34 1 6 "Average Difference" CA 111 1.222 0.140 1.219 18842 35 1 6 "Average Difference" CB 100 1.326 -0.452 1.253 18842 36 1 6 "Average Difference" HN 108 0.536 -0.118 0.525 18842 37 1 7 "Average Difference" N 108 3.122 0.056 3.136 18842 38 1 7 "Average Difference" HA 118 0.414 -0.082 0.407 18842 39 1 7 "Average Difference" C 108 1.014 -0.041 1.018 18842 40 1 7 "Average Difference" CA 111 1.211 0.139 1.209 18842 41 1 7 "Average Difference" CB 100 1.403 -0.484 1.324 18842 42 1 7 "Average Difference" HN 108 0.528 -0.098 0.521 18842 43 1 8 "Average Difference" N 108 2.854 -0.154 2.863 18842 44 1 8 "Average Difference" HA 118 0.337 -0.078 0.329 18842 45 1 8 "Average Difference" C 108 0.968 -0.018 0.973 18842 46 1 8 "Average Difference" CA 111 1.175 0.184 1.166 18842 47 1 8 "Average Difference" CB 100 1.297 -0.494 1.206 18842 48 1 8 "Average Difference" HN 108 0.502 -0.060 0.500 18842 49 1 9 "Average Difference" N 108 3.001 0.140 3.012 18842 50 1 9 "Average Difference" HA 118 0.379 -0.078 0.373 18842 51 1 9 "Average Difference" C 108 0.946 0.072 0.948 18842 52 1 9 "Average Difference" CA 111 1.207 0.205 1.195 18842 53 1 9 "Average Difference" CB 100 1.288 -0.538 1.176 18842 54 1 9 "Average Difference" HN 108 0.492 -0.102 0.484 18842 55 1 10 "Average Difference" N 108 3.078 -0.021 3.092 18842 56 1 10 "Average Difference" HA 118 0.369 -0.091 0.359 18842 57 1 10 "Average Difference" C 108 0.999 0.021 1.003 18842 58 1 10 "Average Difference" CA 111 1.116 0.103 1.117 18842 59 1 10 "Average Difference" CB 100 1.379 -0.512 1.286 18842 60 1 10 "Average Difference" HN 108 0.488 -0.118 0.476 18842 61 1 11 "Average Difference" N 108 3.261 0.307 3.262 18842 62 1 11 "Average Difference" HA 118 0.369 -0.084 0.361 18842 63 1 11 "Average Difference" C 108 1.021 0.002 1.025 18842 64 1 11 "Average Difference" CA 111 1.160 0.164 1.154 18842 65 1 11 "Average Difference" CB 100 1.407 -0.456 1.337 18842 66 1 11 "Average Difference" HN 108 0.511 -0.086 0.506 18842 67 1 12 "Average Difference" N 108 3.212 -0.063 3.227 18842 68 1 12 "Average Difference" HA 118 0.390 -0.094 0.381 18842 69 1 12 "Average Difference" C 108 0.952 -0.054 0.954 18842 70 1 12 "Average Difference" CA 111 1.176 0.081 1.179 18842 71 1 12 "Average Difference" CB 100 1.345 -0.495 1.257 18842 72 1 12 "Average Difference" HN 108 0.512 -0.065 0.510 18842 73 1 13 "Average Difference" N 108 3.235 0.030 3.250 18842 74 1 13 "Average Difference" HA 118 0.367 -0.089 0.358 18842 75 1 13 "Average Difference" C 108 0.984 -0.008 0.989 18842 76 1 13 "Average Difference" CA 111 1.208 0.189 1.199 18842 77 1 13 "Average Difference" CB 100 1.451 -0.549 1.350 18842 78 1 13 "Average Difference" HN 108 0.520 -0.083 0.516 18842 79 1 14 "Average Difference" N 108 2.936 0.033 2.949 18842 80 1 14 "Average Difference" HA 118 0.382 -0.083 0.375 18842 81 1 14 "Average Difference" C 108 0.957 -0.007 0.961 18842 82 1 14 "Average Difference" CA 111 1.180 0.153 1.176 18842 83 1 14 "Average Difference" CB 100 1.299 -0.500 1.205 18842 84 1 14 "Average Difference" HN 108 0.524 -0.098 0.517 18842 85 1 15 "Average Difference" N 108 2.990 -0.118 3.002 18842 86 1 15 "Average Difference" HA 118 0.378 -0.069 0.374 18842 87 1 15 "Average Difference" C 108 0.992 -0.018 0.997 18842 88 1 15 "Average Difference" CA 111 1.137 0.099 1.138 18842 89 1 15 "Average Difference" CB 100 1.426 -0.471 1.353 18842 90 1 15 "Average Difference" HN 108 0.530 -0.070 0.528 18842 91 1 16 "Average Difference" N 108 2.996 0.108 3.008 18842 92 1 16 "Average Difference" HA 118 0.371 -0.090 0.361 18842 93 1 16 "Average Difference" C 108 0.944 0.051 0.947 18842 94 1 16 "Average Difference" CA 111 1.094 0.109 1.093 18842 95 1 16 "Average Difference" CB 100 1.256 -0.454 1.176 18842 96 1 16 "Average Difference" HN 108 0.495 -0.098 0.487 18842 97 1 17 "Average Difference" N 108 3.211 0.134 3.223 18842 98 1 17 "Average Difference" HA 118 0.355 -0.077 0.348 18842 99 1 17 "Average Difference" C 108 0.979 -0.013 0.983 18842 100 1 17 "Average Difference" CA 111 1.169 0.088 1.171 18842 101 1 17 "Average Difference" CB 100 1.328 -0.506 1.234 18842 102 1 17 "Average Difference" HN 108 0.524 -0.074 0.521 18842 103 1 18 "Average Difference" N 108 3.206 0.145 3.218 18842 104 1 18 "Average Difference" HA 118 0.392 -0.064 0.388 18842 105 1 18 "Average Difference" C 108 0.932 -0.033 0.936 18842 106 1 18 "Average Difference" CA 111 1.232 0.033 1.237 18842 107 1 18 "Average Difference" CB 100 1.434 -0.536 1.337 18842 108 1 18 "Average Difference" HN 108 0.531 -0.073 0.529 18842 109 1 19 "Average Difference" N 108 2.821 0.048 2.834 18842 110 1 19 "Average Difference" HA 118 0.340 -0.094 0.328 18842 111 1 19 "Average Difference" C 108 0.962 0.019 0.967 18842 112 1 19 "Average Difference" CA 111 1.241 0.137 1.239 18842 113 1 19 "Average Difference" CB 100 1.389 -0.511 1.299 18842 114 1 19 "Average Difference" HN 108 0.513 -0.082 0.509 18842 115 1 20 "Average Difference" N 108 2.816 -0.167 2.824 18842 116 1 20 "Average Difference" HA 118 0.355 -0.084 0.346 18842 117 1 20 "Average Difference" C 108 0.970 -0.044 0.974 18842 118 1 20 "Average Difference" CA 111 1.118 0.174 1.109 18842 119 1 20 "Average Difference" CB 100 1.308 -0.443 1.236 18842 120 1 20 "Average Difference" HN 108 0.548 -0.092 0.543 18842 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 18842 _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 SER N N 2 113.417 113.417 115.920 -2.503 18842 2 1 . 1 1 2 2 SER HA H 2 4.355 4.355 4.544 -0.189 18842 3 1 . 1 1 2 2 SER CA C 2 58.647 58.647 59.268 -0.621 18842 4 1 . 1 1 2 2 SER CB C 2 63.504 63.504 63.910 -0.406 18842 5 1 . 1 1 2 2 SER H H 2 8.096 8.096 8.540 -0.444 18842 6 1 . 1 1 3 3 HIS HA H 3 4.677 4.677 4.785 -0.108 18842 7 1 . 1 1 3 3 HIS C C 3 173.601 173.601 173.384 0.217 18842 8 1 . 1 1 3 3 HIS CA C 3 56.229 56.229 54.641 1.588 18842 9 1 . 1 1 3 3 HIS CB C 3 31.323 31.323 28.593 2.730 18842 10 1 . 1 1 4 4 SER N N 4 113.555 113.555 113.322 0.233 18842 11 1 . 1 1 4 4 SER HA H 4 5.483 5.483 4.994 0.489 18842 12 1 . 1 1 4 4 SER C C 4 173.624 173.624 172.694 0.930 18842 13 1 . 1 1 4 4 SER CA C 4 56.904 56.904 58.123 -1.219 18842 14 1 . 1 1 4 4 SER CB C 4 65.900 65.900 65.519 0.381 18842 15 1 . 1 1 4 4 SER H H 4 7.865 7.865 7.710 0.155 18842 16 1 . 1 1 5 5 GLY N N 5 107.050 107.050 107.346 -0.296 18842 17 1 . 1 1 5 5 GLY C C 5 170.915 170.915 172.015 -1.100 18842 18 1 . 1 1 5 5 GLY CA C 5 45.417 45.417 44.579 0.838 18842 19 1 . 1 1 5 5 GLY H H 5 8.370 8.370 8.820 -0.450 18842 20 1 . 1 1 6 6 ALA N N 6 125.347 125.347 123.283 2.064 18842 21 1 . 1 1 6 6 ALA HA H 6 4.953 4.953 4.662 0.291 18842 22 1 . 1 1 6 6 ALA C C 6 176.816 176.816 176.193 0.623 18842 23 1 . 1 1 6 6 ALA CA C 6 52.605 52.605 52.184 0.421 18842 24 1 . 1 1 6 6 ALA CB C 6 19.373 19.373 19.064 0.309 18842 25 1 . 1 1 6 6 ALA H H 6 8.671 8.671 8.458 0.213 18842 26 1 . 1 1 7 7 ALA N N 7 120.077 120.077 125.944 -5.867 18842 27 1 . 1 1 7 7 ALA HA H 7 4.662 4.662 4.323 0.339 18842 28 1 . 1 1 7 7 ALA C C 7 176.697 176.697 175.863 0.834 18842 29 1 . 1 1 7 7 ALA CA C 7 51.668 51.668 49.663 2.005 18842 30 1 . 1 1 7 7 ALA CB C 7 24.048 24.048 21.547 2.501 18842 31 1 . 1 1 7 7 ALA H H 7 8.391 8.391 7.966 0.425 18842 32 1 . 1 1 8 8 ILE N N 8 125.517 125.517 119.234 6.283 18842 33 1 . 1 1 8 8 ILE HA H 8 4.987 4.987 5.029 -0.042 18842 34 1 . 1 1 8 8 ILE C C 8 175.327 175.327 174.628 0.699 18842 35 1 . 1 1 8 8 ILE CA C 8 59.844 59.844 60.242 -0.398 18842 36 1 . 1 1 8 8 ILE CB C 8 39.589 39.589 40.602 -1.013 18842 37 1 . 1 1 8 8 ILE H H 8 9.383 9.383 8.122 1.261 18842 38 1 . 1 1 9 9 PHE N N 9 128.853 128.853 125.334 3.519 18842 39 1 . 1 1 9 9 PHE HA H 9 4.317 4.317 4.695 -0.377 18842 40 1 . 1 1 9 9 PHE C C 9 173.920 173.920 174.623 -0.703 18842 41 1 . 1 1 9 9 PHE CA C 9 56.118 56.118 56.071 0.047 18842 42 1 . 1 1 9 9 PHE CB C 9 39.825 39.825 41.882 -2.057 18842 43 1 . 1 1 9 9 PHE H H 9 8.467 8.467 9.205 -0.738 18842 44 1 . 1 1 10 10 GLU N N 10 126.396 126.396 126.132 0.264 18842 45 1 . 1 1 10 10 GLU HA H 10 3.202 3.202 3.589 -0.387 18842 46 1 . 1 1 10 10 GLU C C 10 175.226 175.226 175.597 -0.371 18842 47 1 . 1 1 10 10 GLU CA C 10 56.680 56.680 57.461 -0.781 18842 48 1 . 1 1 10 10 GLU CB C 10 26.695 26.695 27.786 -1.091 18842 49 1 . 1 1 10 10 GLU H H 10 8.769 8.769 8.927 -0.159 18842 50 1 . 1 1 11 11 LYS N N 11 105.585 105.585 111.643 -6.058 18842 51 1 . 1 1 11 11 LYS HA H 11 3.402 3.402 3.947 -0.545 18842 52 1 . 1 1 11 11 LYS C C 11 175.596 175.596 175.175 0.421 18842 53 1 . 1 1 11 11 LYS CA C 11 58.448 58.448 57.525 0.923 18842 54 1 . 1 1 11 11 LYS CB C 11 30.134 30.134 31.576 -1.442 18842 55 1 . 1 1 11 11 LYS H H 11 7.931 7.931 8.298 -0.368 18842 56 1 . 1 1 12 12 VAL N N 12 123.819 123.819 121.633 2.186 18842 57 1 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.383 0.034 18842 58 1 . 1 1 12 12 VAL C C 12 175.188 175.188 174.594 0.595 18842 59 1 . 1 1 12 12 VAL CA C 12 61.685 61.685 60.290 1.395 18842 60 1 . 1 1 12 12 VAL CB C 12 34.179 34.179 34.272 -0.092 18842 61 1 . 1 1 12 12 VAL H H 12 7.954 7.954 7.622 0.332 18842 62 1 . 1 1 13 13 SER N N 13 121.981 121.981 122.963 -0.982 18842 63 1 . 1 1 13 13 SER HA H 13 4.624 4.624 4.796 -0.172 18842 64 1 . 1 1 13 13 SER C C 13 175.408 175.408 174.324 1.084 18842 65 1 . 1 1 13 13 SER CA C 13 59.766 59.766 58.356 1.410 18842 66 1 . 1 1 13 13 SER CB C 13 63.591 63.591 64.107 -0.516 18842 67 1 . 1 1 13 13 SER H H 13 8.895 8.895 8.736 0.159 18842 68 1 . 1 1 14 14 GLY N N 14 113.215 113.215 110.710 2.505 18842 69 1 . 1 1 14 14 GLY C C 14 172.790 172.790 172.295 0.495 18842 70 1 . 1 1 14 14 GLY CA C 14 46.537 46.537 44.833 1.704 18842 71 1 . 1 1 14 14 GLY H H 14 8.287 8.287 9.105 -0.818 18842 72 1 . 1 1 15 15 ILE N N 15 123.244 123.244 119.697 3.547 18842 73 1 . 1 1 15 15 ILE HA H 15 4.820 4.820 4.397 0.423 18842 74 1 . 1 1 15 15 ILE C C 15 175.417 175.417 174.129 1.288 18842 75 1 . 1 1 15 15 ILE CA C 15 59.303 59.303 59.458 -0.155 18842 76 1 . 1 1 15 15 ILE CB C 15 41.796 41.796 40.122 1.674 18842 77 1 . 1 1 15 15 ILE H H 15 8.330 8.330 7.598 0.731 18842 78 1 . 1 1 16 16 ILE N N 16 127.640 127.640 128.701 -1.061 18842 79 1 . 1 1 16 16 ILE HA H 16 4.967 4.967 4.358 0.609 18842 80 1 . 1 1 16 16 ILE C C 16 173.248 173.248 173.793 -0.545 18842 81 1 . 1 1 16 16 ILE CA C 16 59.812 59.812 60.074 -0.262 18842 82 1 . 1 1 16 16 ILE CB C 16 41.723 41.723 39.358 2.365 18842 83 1 . 1 1 16 16 ILE H H 16 9.438 9.438 9.239 0.199 18842 84 1 . 1 1 17 17 ALA N N 17 127.760 127.760 130.879 -3.119 18842 85 1 . 1 1 17 17 ALA HA H 17 5.105 5.105 4.917 0.188 18842 86 1 . 1 1 17 17 ALA C C 17 177.510 177.510 175.600 1.910 18842 87 1 . 1 1 17 17 ALA CA C 17 51.445 51.445 50.284 1.161 18842 88 1 . 1 1 17 17 ALA CB C 17 22.161 22.161 22.567 -0.406 18842 89 1 . 1 1 17 17 ALA H H 17 8.968 8.968 8.651 0.317 18842 90 1 . 1 1 18 18 ILE N N 18 122.269 122.269 123.255 -0.986 18842 91 1 . 1 1 18 18 ILE HA H 18 4.591 4.591 4.411 0.180 18842 92 1 . 1 1 18 18 ILE C C 18 174.334 174.334 175.808 -1.474 18842 93 1 . 1 1 18 18 ILE CA C 18 60.656 60.656 60.716 -0.060 18842 94 1 . 1 1 18 18 ILE CB C 18 39.064 39.064 38.294 0.770 18842 95 1 . 1 1 18 18 ILE H H 18 8.665 8.665 8.378 0.287 18842 96 1 . 1 1 19 19 ASN N N 19 127.568 127.568 127.110 0.458 18842 97 1 . 1 1 19 19 ASN HA H 19 5.080 5.080 4.774 0.306 18842 98 1 . 1 1 19 19 ASN C C 19 174.784 174.784 175.228 -0.444 18842 99 1 . 1 1 19 19 ASN CA C 19 51.638 51.638 52.777 -1.140 18842 100 1 . 1 1 19 19 ASN CB C 19 39.591 39.591 38.814 0.777 18842 101 1 . 1 1 19 19 ASN H H 19 9.378 9.378 9.057 0.321 18842 102 1 . 1 1 20 20 GLU N N 20 121.587 121.587 123.994 -2.407 18842 103 1 . 1 1 20 20 GLU HA H 20 4.703 4.703 4.391 0.312 18842 104 1 . 1 1 20 20 GLU C C 20 176.152 176.152 175.780 0.372 18842 105 1 . 1 1 20 20 GLU CA C 20 55.891 55.891 57.006 -1.115 18842 106 1 . 1 1 20 20 GLU CB C 20 30.867 30.867 29.744 1.123 18842 107 1 . 1 1 20 20 GLU H H 20 9.046 9.046 8.156 0.890 18842 108 1 . 1 1 21 21 ASP N N 21 121.077 121.077 117.829 3.248 18842 109 1 . 1 1 21 21 ASP HA H 21 4.619 4.619 4.742 -0.123 18842 110 1 . 1 1 21 21 ASP C C 21 175.688 175.688 176.387 -0.699 18842 111 1 . 1 1 21 21 ASP CA C 21 55.512 55.512 54.633 0.879 18842 112 1 . 1 1 21 21 ASP CB C 21 40.476 40.476 41.472 -0.996 18842 113 1 . 1 1 21 21 ASP H H 21 8.724 8.724 8.229 0.495 18842 114 1 . 1 1 22 22 VAL N N 22 113.035 113.035 116.162 -3.127 18842 115 1 . 1 1 22 22 VAL HA H 22 4.318 4.318 4.386 -0.069 18842 116 1 . 1 1 22 22 VAL C C 22 173.445 173.445 176.030 -2.585 18842 117 1 . 1 1 22 22 VAL CA C 22 59.049 59.049 60.258 -1.209 18842 118 1 . 1 1 22 22 VAL CB C 22 34.022 34.022 33.194 0.828 18842 119 1 . 1 1 22 22 VAL H H 22 6.844 6.844 7.294 -0.450 18842 120 1 . 1 1 23 23 SER N N 23 114.945 114.945 115.009 -0.064 18842 121 1 . 1 1 23 23 SER HA H 23 4.735 4.735 4.566 0.169 18842 122 1 . 1 1 23 23 SER CA C 23 53.765 53.765 60.437 -6.672 18842 123 1 . 1 1 23 23 SER CB C 23 64.743 64.743 62.158 2.585 18842 124 1 . 1 1 23 23 SER H H 23 8.046 8.046 8.564 -0.518 18842 125 1 . 1 1 24 24 PRO HA H 24 4.768 4.768 4.653 0.115 18842 126 1 . 1 1 24 24 PRO C C 24 174.807 174.807 175.684 -0.877 18842 127 1 . 1 1 24 24 PRO CA C 24 62.760 62.760 62.284 0.476 18842 128 1 . 1 1 24 24 PRO CB C 24 34.741 34.741 31.898 2.843 18842 129 1 . 1 1 25 25 ALA N N 25 120.415 120.415 125.049 -4.635 18842 130 1 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.321 0.194 18842 131 1 . 1 1 25 25 ALA C C 25 175.790 175.790 176.832 -1.042 18842 132 1 . 1 1 25 25 ALA CA C 25 52.533 52.533 52.763 -0.230 18842 133 1 . 1 1 25 25 ALA CB C 25 20.582 20.582 19.012 1.571 18842 134 1 . 1 1 25 25 ALA H H 25 7.979 7.979 8.352 -0.373 18842 135 1 . 1 1 26 26 GLU N N 26 115.395 115.395 122.861 -7.466 18842 136 1 . 1 1 26 26 GLU HA H 26 5.039 5.039 5.107 -0.068 18842 137 1 . 1 1 26 26 GLU C C 26 174.619 174.619 175.074 -0.455 18842 138 1 . 1 1 26 26 GLU CA C 26 54.029 54.029 54.050 -0.021 18842 139 1 . 1 1 26 26 GLU CB C 26 34.616 34.616 33.325 1.291 18842 140 1 . 1 1 26 26 GLU H H 26 7.851 7.851 8.143 -0.292 18842 141 1 . 1 1 27 27 LEU N N 27 124.661 124.661 122.889 1.772 18842 142 1 . 1 1 27 27 LEU HA H 27 5.026 5.026 4.898 0.128 18842 143 1 . 1 1 27 27 LEU C C 27 174.740 174.740 175.106 -0.366 18842 144 1 . 1 1 27 27 LEU CA C 27 53.781 53.781 54.110 -0.329 18842 145 1 . 1 1 27 27 LEU CB C 27 45.609 45.609 44.767 0.842 18842 146 1 . 1 1 27 27 LEU H H 27 8.898 8.898 9.345 -0.447 18842 147 1 . 1 1 28 28 THR N N 28 121.731 121.731 124.620 -2.889 18842 148 1 . 1 1 28 28 THR HA H 28 5.207 5.207 4.989 0.218 18842 149 1 . 1 1 28 28 THR C C 28 172.661 172.661 173.523 -0.862 18842 150 1 . 1 1 28 28 THR CA C 28 61.178 61.178 62.278 -1.100 18842 151 1 . 1 1 28 28 THR CB C 28 71.422 71.422 69.403 2.019 18842 152 1 . 1 1 28 28 THR H H 28 9.283 9.283 9.202 0.081 18842 153 1 . 1 1 29 29 TRP N N 29 128.950 128.950 131.471 -2.521 18842 154 1 . 1 1 29 29 TRP HA H 29 5.431 5.431 5.099 0.332 18842 155 1 . 1 1 29 29 TRP C C 29 173.939 173.939 174.477 -0.538 18842 156 1 . 1 1 29 29 TRP CA C 29 55.782 55.782 56.035 -0.253 18842 157 1 . 1 1 29 29 TRP CB C 29 32.177 32.177 30.544 1.633 18842 158 1 . 1 1 29 29 TRP H H 29 9.399 9.399 9.476 -0.077 18842 159 1 . 1 1 30 30 ARG N N 30 126.402 126.402 130.179 -3.777 18842 160 1 . 1 1 30 30 ARG HA H 30 4.829 4.829 4.383 0.446 18842 161 1 . 1 1 30 30 ARG C C 30 174.751 174.751 175.773 -1.022 18842 162 1 . 1 1 30 30 ARG CA C 30 53.389 53.389 54.077 -0.688 18842 163 1 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.031 1.787 18842 164 1 . 1 1 30 30 ARG H H 30 7.613 7.613 9.132 -1.519 18842 165 1 . 1 1 31 31 SER N N 31 118.353 118.353 121.395 -3.042 18842 166 1 . 1 1 31 31 SER HA H 31 4.138 4.138 3.708 0.430 18842 167 1 . 1 1 31 31 SER C C 31 176.426 176.426 175.338 1.088 18842 168 1 . 1 1 31 31 SER CA C 31 58.013 58.013 59.020 -1.007 18842 169 1 . 1 1 31 31 SER CB C 31 64.081 64.081 63.377 0.704 18842 170 1 . 1 1 31 31 SER H H 31 8.086 8.086 8.237 -0.151 18842 171 1 . 1 1 32 32 THR N N 32 119.213 119.213 115.347 3.865 18842 172 1 . 1 1 32 32 THR HA H 32 3.856 3.856 4.144 -0.288 18842 173 1 . 1 1 32 32 THR C C 32 175.664 175.664 175.508 0.156 18842 174 1 . 1 1 32 32 THR CA C 32 66.142 66.142 64.829 1.313 18842 175 1 . 1 1 32 32 THR CB C 32 68.446 68.446 68.844 -0.398 18842 176 1 . 1 1 32 32 THR H H 32 8.556 8.556 8.311 0.245 18842 177 1 . 1 1 33 33 ASP N N 33 117.260 117.260 120.540 -3.280 18842 178 1 . 1 1 33 33 ASP HA H 33 4.627 4.627 4.611 0.016 18842 179 1 . 1 1 33 33 ASP C C 33 177.098 177.098 177.004 0.094 18842 180 1 . 1 1 33 33 ASP CA C 33 54.367 54.367 54.782 -0.415 18842 181 1 . 1 1 33 33 ASP H H 33 8.236 8.236 8.114 0.122 18842 182 1 . 1 1 34 34 GLY N N 34 109.136 109.136 106.982 2.154 18842 183 1 . 1 1 34 34 GLY C C 34 173.778 173.778 174.467 -0.689 18842 184 1 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.048 0.351 18842 185 1 . 1 1 34 34 GLY H H 34 7.935 7.935 8.082 -0.147 18842 186 1 . 1 1 35 35 ASP N N 35 117.913 117.913 119.572 -1.659 18842 187 1 . 1 1 35 35 ASP HA H 35 4.530 4.530 4.669 -0.139 18842 188 1 . 1 1 35 35 ASP C C 35 175.403 175.403 175.598 -0.195 18842 189 1 . 1 1 35 35 ASP CA C 35 54.811 54.811 54.823 -0.012 18842 190 1 . 1 1 35 35 ASP CB C 35 41.042 41.042 41.701 -0.659 18842 191 1 . 1 1 35 35 ASP H H 35 8.271 8.271 8.199 0.072 18842 192 1 . 1 1 36 36 LYS N N 36 120.335 120.335 119.315 1.020 18842 193 1 . 1 1 36 36 LYS HA H 36 4.907 4.907 4.731 0.176 18842 194 1 . 1 1 36 36 LYS C C 36 174.651 174.651 174.213 0.438 18842 195 1 . 1 1 36 36 LYS CA C 36 55.407 55.407 55.365 0.042 18842 196 1 . 1 1 36 36 LYS CB C 36 35.834 35.834 35.773 0.061 18842 197 1 . 1 1 36 36 LYS H H 36 7.769 7.769 7.806 -0.037 18842 198 1 . 1 1 37 37 VAL N N 37 121.484 121.484 121.981 -0.497 18842 199 1 . 1 1 37 37 VAL HA H 37 5.315 5.315 5.144 0.171 18842 200 1 . 1 1 37 37 VAL C C 37 175.069 175.069 175.058 0.011 18842 201 1 . 1 1 37 37 VAL CA C 37 60.098 60.098 60.040 0.058 18842 202 1 . 1 1 37 37 VAL CB C 37 36.058 36.058 35.361 0.697 18842 203 1 . 1 1 37 37 VAL H H 37 8.582 8.582 8.589 -0.007 18842 204 1 . 1 1 38 38 HIS N N 38 125.660 125.660 124.927 0.733 18842 205 1 . 1 1 38 38 HIS HA H 38 5.084 5.084 4.942 0.142 18842 206 1 . 1 1 38 38 HIS C C 38 173.268 173.268 173.326 -0.058 18842 207 1 . 1 1 38 38 HIS CA C 38 56.068 56.068 55.890 0.178 18842 208 1 . 1 1 38 38 HIS CB C 38 34.088 34.088 33.866 0.222 18842 209 1 . 1 1 38 38 HIS H H 38 9.621 9.621 9.049 0.573 18842 210 1 . 1 1 39 39 THR N N 39 124.752 124.752 120.847 3.905 18842 211 1 . 1 1 39 39 THR HA H 39 5.139 5.139 5.087 0.052 18842 212 1 . 1 1 39 39 THR C C 39 173.208 173.208 173.098 0.110 18842 213 1 . 1 1 39 39 THR CA C 39 61.518 61.518 61.321 0.197 18842 214 1 . 1 1 39 39 THR CB C 39 70.665 70.665 70.762 -0.097 18842 215 1 . 1 1 39 39 THR H H 39 8.527 8.527 8.000 0.527 18842 216 1 . 1 1 40 40 VAL N N 40 126.002 126.002 125.658 0.344 18842 217 1 . 1 1 40 40 VAL HA H 40 3.924 3.924 4.300 -0.376 18842 218 1 . 1 1 40 40 VAL C C 40 174.731 174.731 174.027 0.704 18842 219 1 . 1 1 40 40 VAL CA C 40 60.350 60.350 60.661 -0.311 18842 220 1 . 1 1 40 40 VAL CB C 40 34.365 34.365 35.920 -1.555 18842 221 1 . 1 1 40 40 VAL H H 40 9.388 9.388 9.167 0.221 18842 222 1 . 1 1 41 41 VAL N N 41 129.872 129.872 128.274 1.598 18842 223 1 . 1 1 41 41 VAL HA H 41 3.984 3.984 4.264 -0.280 18842 224 1 . 1 1 41 41 VAL C C 41 179.410 179.410 176.547 2.863 18842 225 1 . 1 1 41 41 VAL CA C 41 63.616 63.616 61.774 1.841 18842 226 1 . 1 1 41 41 VAL CB C 41 30.988 30.988 31.559 -0.571 18842 227 1 . 1 1 41 41 VAL H H 41 9.054 9.054 8.829 0.225 18842 228 1 . 1 1 42 42 LEU N N 42 130.076 130.076 128.844 1.232 18842 229 1 . 1 1 42 42 LEU HA H 42 3.954 3.954 4.168 -0.214 18842 230 1 . 1 1 42 42 LEU C C 42 176.121 176.121 178.333 -2.212 18842 231 1 . 1 1 42 42 LEU CA C 42 58.622 58.622 56.986 1.636 18842 232 1 . 1 1 42 42 LEU CB C 42 40.823 40.823 40.639 0.184 18842 233 1 . 1 1 42 42 LEU H H 42 9.193 9.193 8.349 0.844 18842 234 1 . 1 1 43 43 SER N N 43 109.703 109.703 111.981 -2.278 18842 235 1 . 1 1 43 43 SER HA H 43 3.944 3.944 2.585 1.359 18842 236 1 . 1 1 43 43 SER C C 43 175.455 175.455 175.258 0.197 18842 237 1 . 1 1 43 43 SER CA C 43 59.442 59.442 60.317 -0.875 18842 238 1 . 1 1 43 43 SER CB C 43 61.299 61.299 62.752 -1.453 18842 239 1 . 1 1 43 43 SER H H 43 6.961 6.961 8.293 -1.332 18842 240 1 . 1 1 44 44 THR N N 44 110.409 110.409 112.771 -2.362 18842 241 1 . 1 1 44 44 THR HA H 44 4.519 4.519 4.225 0.294 18842 242 1 . 1 1 44 44 THR C C 44 173.493 173.493 175.331 -1.838 18842 243 1 . 1 1 44 44 THR CA C 44 62.076 62.076 62.857 -0.781 18842 244 1 . 1 1 44 44 THR CB C 44 69.788 69.788 69.753 0.035 18842 245 1 . 1 1 44 44 THR H H 44 7.657 7.657 7.693 -0.036 18842 246 1 . 1 1 45 45 ILE N N 45 120.972 120.972 124.731 -3.759 18842 247 1 . 1 1 45 45 ILE HA H 45 4.325 4.325 4.042 0.283 18842 248 1 . 1 1 45 45 ILE C C 45 173.882 173.882 176.301 -2.419 18842 249 1 . 1 1 45 45 ILE CA C 45 58.040 58.040 61.673 -3.632 18842 250 1 . 1 1 45 45 ILE CB C 45 36.500 36.500 35.754 0.746 18842 251 1 . 1 1 45 45 ILE H H 45 7.089 7.089 7.764 -0.675 18842 252 1 . 1 1 46 46 ASP N N 46 126.759 126.759 128.383 -1.624 18842 253 1 . 1 1 46 46 ASP HA H 46 4.662 4.662 4.430 0.232 18842 254 1 . 1 1 46 46 ASP C C 46 175.424 175.424 175.769 -0.345 18842 255 1 . 1 1 46 46 ASP CA C 46 55.017 55.017 56.135 -1.118 18842 256 1 . 1 1 46 46 ASP CB C 46 44.583 44.583 41.847 2.736 18842 257 1 . 1 1 46 46 ASP H H 46 9.372 9.372 8.521 0.851 18842 258 1 . 1 1 47 47 LYS N N 47 111.663 111.663 113.888 -2.225 18842 259 1 . 1 1 47 47 LYS HA H 47 4.753 4.753 4.529 0.224 18842 260 1 . 1 1 47 47 LYS C C 47 172.574 172.574 173.902 -1.328 18842 261 1 . 1 1 47 47 LYS CA C 47 54.615 54.615 55.265 -0.649 18842 262 1 . 1 1 47 47 LYS CB C 47 36.196 36.196 34.843 1.353 18842 263 1 . 1 1 47 47 LYS H H 47 7.522 7.522 7.469 0.053 18842 264 1 . 1 1 48 48 LEU N N 48 123.295 123.295 120.613 2.682 18842 265 1 . 1 1 48 48 LEU HA H 48 5.143 5.143 4.939 0.204 18842 266 1 . 1 1 48 48 LEU C C 48 174.770 174.770 176.039 -1.269 18842 267 1 . 1 1 48 48 LEU CA C 48 52.936 52.936 53.769 -0.833 18842 268 1 . 1 1 48 48 LEU CB C 48 45.580 45.580 44.886 0.694 18842 269 1 . 1 1 48 48 LEU H H 48 8.938 8.938 8.422 0.516 18842 270 1 . 1 1 49 49 GLN N N 49 120.979 120.979 120.404 0.575 18842 271 1 . 1 1 49 49 GLN HA H 49 5.512 5.512 4.659 0.853 18842 272 1 . 1 1 49 49 GLN C C 49 174.626 174.626 173.978 0.648 18842 273 1 . 1 1 49 49 GLN CA C 49 53.631 53.631 54.908 -1.277 18842 274 1 . 1 1 49 49 GLN CB C 49 34.089 34.089 33.212 0.877 18842 275 1 . 1 1 49 49 GLN H H 49 9.246 9.246 8.705 0.541 18842 276 1 . 1 1 50 50 ALA N N 50 122.440 122.440 125.153 -2.713 18842 277 1 . 1 1 50 50 ALA HA H 50 5.808 5.808 4.719 1.089 18842 278 1 . 1 1 50 50 ALA C C 50 177.277 177.277 176.463 0.814 18842 279 1 . 1 1 50 50 ALA CA C 50 50.621 50.621 51.212 -0.592 18842 280 1 . 1 1 50 50 ALA CB C 50 24.523 24.523 21.776 2.747 18842 281 1 . 1 1 50 50 ALA H H 50 9.365 9.365 8.328 1.037 18842 282 1 . 1 1 51 51 THR N N 51 114.289 114.289 116.845 -2.556 18842 283 1 . 1 1 51 51 THR HA H 51 4.615 4.615 4.442 0.173 18842 284 1 . 1 1 51 51 THR CA C 51 59.197 59.197 60.415 -1.218 18842 285 1 . 1 1 51 51 THR CB C 51 67.937 67.937 68.173 -0.236 18842 286 1 . 1 1 51 51 THR H H 51 8.368 8.368 8.221 0.147 18842 287 1 . 1 1 52 52 PRO HA H 52 4.531 4.531 4.310 0.221 18842 288 1 . 1 1 52 52 PRO C C 52 178.380 178.380 178.023 0.357 18842 289 1 . 1 1 52 52 PRO CA C 52 62.375 62.375 62.750 -0.375 18842 290 1 . 1 1 52 52 PRO CB C 52 32.640 32.640 32.064 0.576 18842 291 1 . 1 1 53 53 ALA N N 53 126.235 126.235 122.863 3.372 18842 292 1 . 1 1 53 53 ALA HA H 53 4.030 4.030 4.064 -0.034 18842 293 1 . 1 1 53 53 ALA C C 53 177.700 177.700 178.547 -0.847 18842 294 1 . 1 1 53 53 ALA CA C 53 54.795 54.795 54.281 0.514 18842 295 1 . 1 1 53 53 ALA CB C 53 18.019 18.019 18.601 -0.582 18842 296 1 . 1 1 53 53 ALA H H 53 9.122 9.122 8.487 0.635 18842 297 1 . 1 1 54 54 SER N N 54 107.216 107.216 111.633 -4.417 18842 298 1 . 1 1 54 54 SER HA H 54 4.238 4.238 4.360 -0.122 18842 299 1 . 1 1 54 54 SER C C 54 174.957 174.957 174.669 0.288 18842 300 1 . 1 1 54 54 SER CA C 54 58.260 58.260 59.209 -0.949 18842 301 1 . 1 1 54 54 SER CB C 54 63.120 63.120 63.333 -0.213 18842 302 1 . 1 1 54 54 SER H H 54 7.620 7.620 7.999 -0.379 18842 303 1 . 1 1 55 55 SER N N 55 117.523 117.523 117.367 0.156 18842 304 1 . 1 1 55 55 SER HA H 55 4.469 4.469 4.515 -0.046 18842 305 1 . 1 1 55 55 SER C C 55 174.952 174.952 174.148 0.804 18842 306 1 . 1 1 55 55 SER CA C 55 57.500 57.500 58.101 -0.601 18842 307 1 . 1 1 55 55 SER CB C 55 63.801 63.801 63.977 -0.176 18842 308 1 . 1 1 55 55 SER H H 55 7.676 7.676 7.854 -0.178 18842 309 1 . 1 1 56 56 GLU N N 56 124.557 124.557 125.336 -0.779 18842 310 1 . 1 1 56 56 GLU HA H 56 4.179 4.179 4.107 0.072 18842 311 1 . 1 1 56 56 GLU C C 56 177.924 177.924 176.473 1.451 18842 312 1 . 1 1 56 56 GLU CA C 56 57.661 57.661 58.120 -0.459 18842 313 1 . 1 1 56 56 GLU CB C 56 29.829 29.829 29.963 -0.134 18842 314 1 . 1 1 56 56 GLU H H 56 8.844 8.844 8.775 0.069 18842 315 1 . 1 1 57 57 LYS N N 57 119.220 119.220 119.272 -0.052 18842 316 1 . 1 1 57 57 LYS HA H 57 4.296 4.296 4.424 -0.128 18842 317 1 . 1 1 57 57 LYS C C 57 175.667 175.667 175.668 -0.001 18842 318 1 . 1 1 57 57 LYS CA C 57 55.855 55.855 54.875 0.980 18842 319 1 . 1 1 57 57 LYS CB C 57 33.855 33.855 32.439 1.416 18842 320 1 . 1 1 57 57 LYS H H 57 8.259 8.259 7.748 0.511 18842 321 1 . 1 1 58 58 MET N N 58 123.270 123.270 124.546 -1.276 18842 322 1 . 1 1 58 58 MET HA H 58 4.288 4.288 4.634 -0.346 18842 323 1 . 1 1 58 58 MET C C 58 174.107 174.107 175.559 -1.452 18842 324 1 . 1 1 58 58 MET CA C 58 55.067 55.067 55.164 -0.097 18842 325 1 . 1 1 58 58 MET CB C 58 35.381 35.381 32.598 2.783 18842 326 1 . 1 1 58 58 MET H H 58 8.811 8.811 8.817 -0.006 18842 327 1 . 1 1 59 59 MET N N 59 120.490 120.490 122.290 -1.800 18842 328 1 . 1 1 59 59 MET HA H 59 5.873 5.873 5.072 0.801 18842 329 1 . 1 1 59 59 MET C C 59 174.459 174.459 174.005 0.454 18842 330 1 . 1 1 59 59 MET CA C 59 54.903 54.903 55.308 -0.405 18842 331 1 . 1 1 59 59 MET CB C 59 39.231 39.231 37.166 2.064 18842 332 1 . 1 1 59 59 MET H H 59 8.395 8.395 9.155 -0.760 18842 333 1 . 1 1 60 60 LEU N N 60 118.105 118.105 122.324 -4.219 18842 334 1 . 1 1 60 60 LEU HA H 60 5.664 5.664 4.914 0.750 18842 335 1 . 1 1 60 60 LEU C C 60 175.664 175.664 175.376 0.288 18842 336 1 . 1 1 60 60 LEU CA C 60 53.128 53.128 53.874 -0.746 18842 337 1 . 1 1 60 60 LEU CB C 60 47.435 47.435 45.115 2.320 18842 338 1 . 1 1 60 60 LEU H H 60 9.103 9.103 9.126 -0.023 18842 339 1 . 1 1 61 61 ARG N N 61 120.757 120.757 120.560 0.197 18842 340 1 . 1 1 61 61 ARG HA H 61 5.458 5.458 5.315 0.143 18842 341 1 . 1 1 61 61 ARG C C 61 173.515 173.515 174.354 -0.839 18842 342 1 . 1 1 61 61 ARG CA C 61 54.724 54.724 54.470 0.254 18842 343 1 . 1 1 61 61 ARG CB C 61 35.132 35.132 33.927 1.205 18842 344 1 . 1 1 61 61 ARG H H 61 9.287 9.287 8.610 0.677 18842 345 1 . 1 1 62 62 LEU N N 62 127.139 127.139 123.584 3.555 18842 346 1 . 1 1 62 62 LEU HA H 62 5.029 5.029 4.837 0.192 18842 347 1 . 1 1 62 62 LEU C C 62 175.440 175.440 175.163 0.277 18842 348 1 . 1 1 62 62 LEU CA C 62 54.400 54.400 53.651 0.749 18842 349 1 . 1 1 62 62 LEU CB C 62 43.103 43.103 45.476 -2.373 18842 350 1 . 1 1 62 62 LEU H H 62 9.307 9.307 8.549 0.758 18842 351 1 . 1 1 63 63 ILE N N 63 123.292 123.292 125.744 -2.452 18842 352 1 . 1 1 63 63 ILE HA H 63 4.588 4.588 4.436 0.152 18842 353 1 . 1 1 63 63 ILE C C 63 176.319 176.319 175.922 0.397 18842 354 1 . 1 1 63 63 ILE CA C 63 59.387 59.387 59.014 0.373 18842 355 1 . 1 1 63 63 ILE CB C 63 38.121 38.121 38.259 -0.138 18842 356 1 . 1 1 63 63 ILE H H 63 8.891 8.891 8.854 0.037 18842 357 1 . 1 1 64 64 GLY N N 64 115.565 115.565 113.845 1.719 18842 358 1 . 1 1 64 64 GLY C C 64 172.551 172.551 172.979 -0.428 18842 359 1 . 1 1 64 64 GLY CA C 64 45.429 45.429 43.522 1.907 18842 360 1 . 1 1 64 64 GLY H H 64 9.356 9.356 8.012 1.344 18842 361 1 . 1 1 65 65 LYS N N 65 119.442 119.442 120.115 -0.673 18842 362 1 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.245 0.050 18842 363 1 . 1 1 65 65 LYS C C 65 176.205 176.205 176.596 -0.391 18842 364 1 . 1 1 65 65 LYS CA C 65 56.588 56.588 56.665 -0.077 18842 365 1 . 1 1 65 65 LYS CB C 65 34.353 34.353 32.844 1.509 18842 366 1 . 1 1 65 65 LYS H H 65 8.361 8.361 8.283 0.078 18842 367 1 . 1 1 66 66 VAL N N 66 122.131 122.131 125.138 -3.007 18842 368 1 . 1 1 66 66 VAL HA H 66 4.086 4.086 4.189 -0.103 18842 369 1 . 1 1 66 66 VAL C C 66 175.265 175.265 174.792 0.473 18842 370 1 . 1 1 66 66 VAL CA C 66 62.063 62.063 61.578 0.486 18842 371 1 . 1 1 66 66 VAL CB C 66 33.264 33.264 33.014 0.250 18842 372 1 . 1 1 66 66 VAL H H 66 8.637 8.637 8.440 0.197 18842 373 1 . 1 1 67 67 ASP N N 67 125.510 125.510 117.962 7.548 18842 374 1 . 1 1 67 67 ASP HA H 67 4.727 4.727 4.613 0.114 18842 375 1 . 1 1 67 67 ASP C C 67 176.708 176.708 174.974 1.734 18842 376 1 . 1 1 67 67 ASP CA C 67 53.140 53.140 54.555 -1.415 18842 377 1 . 1 1 67 67 ASP CB C 67 40.930 40.930 41.812 -0.882 18842 378 1 . 1 1 67 67 ASP H H 67 8.460 8.460 8.198 0.262 18842 379 1 . 1 1 68 68 GLU N N 68 124.449 124.449 121.017 3.432 18842 380 1 . 1 1 68 68 GLU HA H 68 4.088 4.088 4.416 -0.328 18842 381 1 . 1 1 68 68 GLU C C 68 177.451 177.451 176.335 1.116 18842 382 1 . 1 1 68 68 GLU CA C 68 57.855 57.855 56.781 1.074 18842 383 1 . 1 1 68 68 GLU CB C 68 29.677 29.677 29.899 -0.222 18842 384 1 . 1 1 68 68 GLU H H 68 8.752 8.752 8.605 0.147 18842 385 1 . 1 1 69 69 SER N N 69 115.515 115.515 114.247 1.268 18842 386 1 . 1 1 69 69 SER HA H 69 4.329 4.329 4.488 -0.159 18842 387 1 . 1 1 69 69 SER C C 69 175.277 175.277 174.435 0.842 18842 388 1 . 1 1 69 69 SER CA C 69 60.139 60.139 59.071 1.068 18842 389 1 . 1 1 69 69 SER CB C 69 63.223 63.223 63.339 -0.116 18842 390 1 . 1 1 69 69 SER H H 69 8.497 8.497 8.146 0.351 18842 391 1 . 1 1 70 70 LYS N N 70 121.733 121.733 120.717 1.016 18842 392 1 . 1 1 70 70 LYS HA H 70 4.410 4.410 4.383 0.027 18842 393 1 . 1 1 70 70 LYS C C 70 177.124 177.124 175.806 1.318 18842 394 1 . 1 1 70 70 LYS CA C 70 55.324 55.324 56.079 -0.754 18842 395 1 . 1 1 70 70 LYS H H 70 7.689 7.689 7.909 -0.220 18842 396 1 . 1 1 71 71 LYS N N 71 121.012 121.012 119.396 1.616 18842 397 1 . 1 1 71 71 LYS HA H 71 4.407 4.407 4.095 0.312 18842 398 1 . 1 1 71 71 LYS C C 71 176.175 176.175 176.217 -0.042 18842 399 1 . 1 1 71 71 LYS CA C 71 56.612 56.612 56.906 -0.294 18842 400 1 . 1 1 71 71 LYS H H 71 7.750 7.750 8.189 -0.439 18842 401 1 . 1 1 72 72 ARG N N 72 122.064 122.064 119.188 2.876 18842 402 1 . 1 1 72 72 ARG HA H 72 4.601 4.601 4.586 0.015 18842 403 1 . 1 1 72 72 ARG C C 72 175.228 175.228 174.545 0.683 18842 404 1 . 1 1 72 72 ARG CA C 72 54.929 54.929 54.977 -0.048 18842 405 1 . 1 1 72 72 ARG CB C 72 32.325 32.325 32.029 0.296 18842 406 1 . 1 1 72 72 ARG H H 72 8.420 8.420 8.365 0.055 18842 407 1 . 1 1 73 73 LYS N N 73 121.217 121.217 118.676 2.541 18842 408 1 . 1 1 73 73 LYS HA H 73 4.933 4.933 4.693 0.240 18842 409 1 . 1 1 73 73 LYS C C 73 177.010 177.010 176.445 0.565 18842 410 1 . 1 1 73 73 LYS CA C 73 55.205 55.205 55.552 -0.346 18842 411 1 . 1 1 73 73 LYS CB C 73 34.680 34.680 33.528 1.152 18842 412 1 . 1 1 73 73 LYS H H 73 8.401 8.401 8.388 0.013 18842 413 1 . 1 1 74 74 ASP N N 74 122.025 122.025 120.184 1.841 18842 414 1 . 1 1 74 74 ASP HA H 74 4.710 4.710 4.741 -0.031 18842 415 1 . 1 1 74 74 ASP C C 74 177.475 177.475 176.010 1.465 18842 416 1 . 1 1 74 74 ASP CA C 74 52.756 52.756 53.586 -0.830 18842 417 1 . 1 1 74 74 ASP CB C 74 41.022 41.022 41.035 -0.013 18842 418 1 . 1 1 74 74 ASP H H 74 8.582 8.582 8.450 0.132 18842 419 1 . 1 1 75 75 ASN N N 75 116.228 116.228 116.056 0.172 18842 420 1 . 1 1 75 75 ASN HA H 75 4.536 4.536 4.429 0.107 18842 421 1 . 1 1 75 75 ASN C C 75 175.999 175.999 174.927 1.072 18842 422 1 . 1 1 75 75 ASN CA C 75 54.853 54.853 54.838 0.015 18842 423 1 . 1 1 75 75 ASN CB C 75 38.132 38.132 37.371 0.761 18842 424 1 . 1 1 75 75 ASN H H 75 8.433 8.433 8.667 -0.234 18842 425 1 . 1 1 76 76 GLU N N 76 118.958 118.958 118.423 0.535 18842 426 1 . 1 1 76 76 GLU HA H 76 4.381 4.381 4.494 -0.113 18842 427 1 . 1 1 76 76 GLU C C 76 176.556 176.556 176.839 -0.283 18842 428 1 . 1 1 76 76 GLU CA C 76 56.163 56.163 56.521 -0.358 18842 429 1 . 1 1 76 76 GLU H H 76 8.162 8.162 8.298 -0.136 18842 430 1 . 1 1 77 77 GLY N N 77 108.062 108.062 108.200 -0.138 18842 431 1 . 1 1 77 77 GLY C C 77 174.247 174.247 173.137 1.110 18842 432 1 . 1 1 77 77 GLY CA C 77 45.210 45.210 44.816 0.394 18842 433 1 . 1 1 77 77 GLY H H 77 8.106 8.106 8.083 0.023 18842 434 1 . 1 1 78 78 ASN N N 78 119.929 119.929 118.616 1.313 18842 435 1 . 1 1 78 78 ASN HA H 78 4.746 4.746 4.860 -0.114 18842 436 1 . 1 1 78 78 ASN C C 78 175.035 175.035 174.193 0.842 18842 437 1 . 1 1 78 78 ASN CA C 78 52.795 52.795 52.424 0.371 18842 438 1 . 1 1 78 78 ASN CB C 78 38.945 38.945 40.081 -1.136 18842 439 1 . 1 1 78 78 ASN H H 78 8.569 8.569 8.166 0.403 18842 440 1 . 1 1 79 79 GLU N N 79 121.658 121.658 124.104 -2.446 18842 441 1 . 1 1 79 79 GLU HA H 79 4.481 4.481 4.349 0.132 18842 442 1 . 1 1 79 79 GLU C C 79 176.302 176.302 175.877 0.425 18842 443 1 . 1 1 79 79 GLU CA C 79 56.662 56.662 56.884 -0.222 18842 444 1 . 1 1 79 79 GLU CB C 79 30.643 30.643 29.026 1.617 18842 445 1 . 1 1 79 79 GLU H H 79 8.691 8.691 8.676 0.015 18842 446 1 . 1 1 80 80 VAL N N 80 123.997 123.997 119.603 4.394 18842 447 1 . 1 1 80 80 VAL HA H 80 4.255 4.255 4.531 -0.276 18842 448 1 . 1 1 80 80 VAL C C 80 175.544 175.544 174.319 1.225 18842 449 1 . 1 1 80 80 VAL CA C 80 61.293 61.293 60.054 1.239 18842 450 1 . 1 1 80 80 VAL CB C 80 33.543 33.543 34.566 -1.023 18842 451 1 . 1 1 80 80 VAL H H 80 8.581 8.581 8.432 0.149 18842 452 1 . 1 1 81 81 VAL N N 81 126.545 126.545 118.924 7.620 18842 453 1 . 1 1 81 81 VAL HA H 81 4.426 4.426 4.454 -0.028 18842 454 1 . 1 1 81 81 VAL CA C 81 59.551 59.551 59.115 0.436 18842 455 1 . 1 1 81 81 VAL CB C 81 32.894 32.894 32.036 0.858 18842 456 1 . 1 1 81 81 VAL H H 81 8.407 8.407 8.234 0.173 18842 457 1 . 1 1 82 82 PRO HA H 82 4.432 4.432 4.347 0.085 18842 458 1 . 1 1 82 82 PRO C C 82 176.036 176.036 176.334 -0.298 18842 459 1 . 1 1 82 82 PRO CA C 82 62.565 62.565 63.134 -0.569 18842 460 1 . 1 1 83 83 LYS N N 83 121.727 121.727 123.174 -1.447 18842 461 1 . 1 1 83 83 LYS HA H 83 4.551 4.551 4.298 0.253 18842 462 1 . 1 1 83 83 LYS CA C 83 53.779 53.779 55.320 -1.541 18842 463 1 . 1 1 83 83 LYS H H 83 8.316 8.316 8.271 0.045 18842 464 1 . 1 1 84 84 PRO HA H 84 4.293 4.293 4.418 -0.125 18842 465 1 . 1 1 84 84 PRO C C 84 176.883 176.883 176.202 0.681 18842 466 1 . 1 1 84 84 PRO CA C 84 62.476 62.476 62.467 0.009 18842 467 1 . 1 1 84 84 PRO CB C 84 32.441 32.441 32.500 -0.059 18842 468 1 . 1 1 85 85 GLN N N 85 121.423 121.423 120.160 1.263 18842 469 1 . 1 1 85 85 GLN HA H 85 4.145 4.145 4.148 -0.003 18842 470 1 . 1 1 85 85 GLN C C 85 175.026 175.026 175.116 -0.090 18842 471 1 . 1 1 85 85 GLN CA C 85 56.041 56.041 56.455 -0.414 18842 472 1 . 1 1 85 85 GLN CB C 85 29.809 29.809 28.732 1.077 18842 473 1 . 1 1 85 85 GLN H H 85 8.471 8.471 8.488 -0.017 18842 474 1 . 1 1 86 86 ARG N N 86 120.972 120.972 122.975 -2.003 18842 475 1 . 1 1 86 86 ARG HA H 86 5.187 5.187 4.880 0.307 18842 476 1 . 1 1 86 86 ARG C C 86 175.091 175.091 175.185 -0.094 18842 477 1 . 1 1 86 86 ARG CA C 86 54.392 54.392 54.405 -0.012 18842 478 1 . 1 1 86 86 ARG CB C 86 33.428 33.428 32.647 0.781 18842 479 1 . 1 1 86 86 ARG H H 86 8.265 8.265 8.268 -0.003 18842 480 1 . 1 1 87 87 HIS N N 87 120.390 120.390 121.965 -1.575 18842 481 1 . 1 1 87 87 HIS HA H 87 4.745 4.745 4.696 0.049 18842 482 1 . 1 1 87 87 HIS C C 87 173.730 173.730 173.613 0.117 18842 483 1 . 1 1 87 87 HIS CA C 87 54.207 54.207 54.520 -0.313 18842 484 1 . 1 1 87 87 HIS CB C 87 33.597 33.597 30.937 2.660 18842 485 1 . 1 1 87 87 HIS H H 87 8.590 8.590 8.616 -0.026 18842 486 1 . 1 1 88 88 MET N N 88 126.611 126.611 124.392 2.219 18842 487 1 . 1 1 88 88 MET HA H 88 5.320 5.320 4.390 0.930 18842 488 1 . 1 1 88 88 MET C C 88 173.520 173.520 173.948 -0.428 18842 489 1 . 1 1 88 88 MET CA C 88 54.782 54.782 55.191 -0.409 18842 490 1 . 1 1 88 88 MET CB C 88 35.451 35.451 33.082 2.369 18842 491 1 . 1 1 88 88 MET H H 88 8.716 8.716 8.684 0.032 18842 492 1 . 1 1 89 89 PHE N N 89 122.328 122.328 125.820 -3.492 18842 493 1 . 1 1 89 89 PHE HA H 89 5.210 5.210 5.472 -0.262 18842 494 1 . 1 1 89 89 PHE C C 89 174.448 174.448 175.412 -0.964 18842 495 1 . 1 1 89 89 PHE CA C 89 56.452 56.452 55.542 0.910 18842 496 1 . 1 1 89 89 PHE CB C 89 44.088 44.088 41.761 2.327 18842 497 1 . 1 1 89 89 PHE H H 89 8.989 8.989 9.005 -0.016 18842 498 1 . 1 1 90 90 SER N N 90 116.094 116.094 118.059 -1.965 18842 499 1 . 1 1 90 90 SER HA H 90 5.681 5.681 4.945 0.736 18842 500 1 . 1 1 90 90 SER C C 90 173.094 173.094 173.531 -0.437 18842 501 1 . 1 1 90 90 SER CA C 90 56.645 56.645 57.338 -0.693 18842 502 1 . 1 1 90 90 SER CB C 90 64.824 64.824 64.325 0.499 18842 503 1 . 1 1 90 90 SER H H 90 8.680 8.680 8.645 0.035 18842 504 1 . 1 1 91 91 PHE N N 91 120.812 120.812 124.399 -3.587 18842 505 1 . 1 1 91 91 PHE HA H 91 4.894 4.894 4.718 0.176 18842 506 1 . 1 1 91 91 PHE C C 91 174.500 174.500 175.580 -1.080 18842 507 1 . 1 1 91 91 PHE CA C 91 57.402 57.402 57.705 -0.303 18842 508 1 . 1 1 91 91 PHE CB C 91 43.327 43.327 41.120 2.207 18842 509 1 . 1 1 91 91 PHE H H 91 9.050 9.050 8.517 0.533 18842 510 1 . 1 1 92 92 ASN N N 92 115.876 115.876 118.091 -2.215 18842 511 1 . 1 1 92 92 ASN HA H 92 5.102 5.102 4.831 0.271 18842 512 1 . 1 1 92 92 ASN C C 92 174.901 174.901 174.109 0.792 18842 513 1 . 1 1 92 92 ASN CA C 92 52.207 52.207 53.245 -1.038 18842 514 1 . 1 1 92 92 ASN CB C 92 39.864 39.864 39.937 -0.073 18842 515 1 . 1 1 92 92 ASN H H 92 9.135 9.135 8.882 0.253 18842 516 1 . 1 1 93 93 ASN N N 93 118.335 118.335 117.233 1.102 18842 517 1 . 1 1 93 93 ASN HA H 93 4.901 4.901 4.920 -0.019 18842 518 1 . 1 1 93 93 ASN C C 93 174.579 174.579 175.037 -0.458 18842 519 1 . 1 1 93 93 ASN CA C 93 53.028 53.028 52.664 0.364 18842 520 1 . 1 1 93 93 ASN CB C 93 41.802 41.802 40.889 0.913 18842 521 1 . 1 1 93 93 ASN H H 93 7.271 7.271 8.008 -0.737 18842 522 1 . 1 1 94 94 ARG N N 94 129.027 129.027 120.911 8.116 18842 523 1 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.356 -0.491 18842 524 1 . 1 1 94 94 ARG C C 94 176.782 176.782 177.342 -0.560 18842 525 1 . 1 1 94 94 ARG CA C 94 59.051 59.051 58.754 0.297 18842 526 1 . 1 1 94 94 ARG H H 94 9.334 9.334 8.755 0.579 18842 527 1 . 1 1 95 95 THR N N 95 115.756 115.756 116.055 -0.299 18842 528 1 . 1 1 95 95 THR HA H 95 4.028 4.028 4.171 -0.143 18842 529 1 . 1 1 95 95 THR C C 95 176.742 176.742 176.329 0.413 18842 530 1 . 1 1 95 95 THR CA C 95 66.325 66.325 65.843 0.482 18842 531 1 . 1 1 95 95 THR CB C 95 68.281 68.281 68.414 -0.133 18842 532 1 . 1 1 95 95 THR H H 95 8.000 8.000 8.083 -0.083 18842 533 1 . 1 1 96 96 VAL N N 96 121.852 121.852 121.457 0.395 18842 534 1 . 1 1 96 96 VAL HA H 96 3.796 3.796 3.839 -0.043 18842 535 1 . 1 1 96 96 VAL C C 96 177.587 177.587 177.119 0.468 18842 536 1 . 1 1 96 96 VAL CA C 96 65.958 65.958 66.162 -0.204 18842 537 1 . 1 1 96 96 VAL CB C 96 32.027 32.027 31.680 0.347 18842 538 1 . 1 1 96 96 VAL H H 96 7.609 7.609 8.177 -0.568 18842 539 1 . 1 1 97 97 MET N N 97 117.469 117.469 117.039 0.430 18842 540 1 . 1 1 97 97 MET HA H 97 2.337 2.337 3.952 -1.615 18842 541 1 . 1 1 97 97 MET C C 97 177.257 177.257 177.717 -0.460 18842 542 1 . 1 1 97 97 MET H H 97 7.337 7.337 7.712 -0.375 18842 543 1 . 1 1 98 98 ASP N N 98 118.162 118.162 120.210 -2.048 18842 544 1 . 1 1 98 98 ASP HA H 98 4.316 4.316 4.387 -0.071 18842 545 1 . 1 1 98 98 ASP C C 98 178.771 178.771 178.777 -0.006 18842 546 1 . 1 1 98 98 ASP CA C 98 57.554 57.554 57.645 -0.091 18842 547 1 . 1 1 98 98 ASP CB C 98 39.779 39.779 40.517 -0.738 18842 548 1 . 1 1 98 98 ASP H H 98 8.729 8.729 7.965 0.764 18842 549 1 . 1 1 99 99 ASN N N 99 120.303 120.303 118.138 2.165 18842 550 1 . 1 1 99 99 ASN HA H 99 4.469 4.469 4.558 -0.089 18842 551 1 . 1 1 99 99 ASN C C 99 178.220 178.220 177.164 1.056 18842 552 1 . 1 1 99 99 ASN CA C 99 56.094 56.094 55.975 0.119 18842 553 1 . 1 1 99 99 ASN CB C 99 38.372 38.372 38.730 -0.358 18842 554 1 . 1 1 99 99 ASN H H 99 8.104 8.104 7.903 0.201 18842 555 1 . 1 1 100 100 ILE N N 100 121.160 121.160 120.818 0.342 18842 556 1 . 1 1 100 100 ILE HA H 100 3.646 3.646 3.859 -0.213 18842 557 1 . 1 1 100 100 ILE C C 100 177.361 177.361 177.740 -0.379 18842 558 1 . 1 1 100 100 ILE CA C 100 62.746 62.746 64.006 -1.260 18842 559 1 . 1 1 100 100 ILE CB C 100 35.702 35.702 37.270 -1.568 18842 560 1 . 1 1 100 100 ILE H H 100 8.020 8.020 8.064 -0.044 18842 561 1 . 1 1 101 101 LYS N N 101 120.747 120.747 120.327 0.420 18842 562 1 . 1 1 101 101 LYS HA H 101 3.684 3.684 3.921 -0.237 18842 563 1 . 1 1 101 101 LYS C C 101 177.127 177.127 179.119 -1.992 18842 564 1 . 1 1 101 101 LYS CA C 101 60.160 60.160 59.910 0.250 18842 565 1 . 1 1 101 101 LYS CB C 101 32.997 32.997 32.266 0.731 18842 566 1 . 1 1 101 101 LYS H H 101 8.907 8.907 8.190 0.717 18842 567 1 . 1 1 102 102 MET N N 102 116.126 116.126 115.417 0.709 18842 568 1 . 1 1 102 102 MET HA H 102 4.245 4.245 4.486 -0.241 18842 569 1 . 1 1 102 102 MET C C 102 178.941 178.941 178.184 0.757 18842 570 1 . 1 1 102 102 MET CA C 102 58.367 58.367 58.297 0.070 18842 571 1 . 1 1 102 102 MET CB C 102 32.055 32.055 32.663 -0.608 18842 572 1 . 1 1 102 102 MET H H 102 8.002 8.002 7.697 0.305 18842 573 1 . 1 1 103 103 THR N N 103 117.988 117.988 117.148 0.840 18842 574 1 . 1 1 103 103 THR HA H 103 3.861 3.861 4.050 -0.189 18842 575 1 . 1 1 103 103 THR C C 103 176.493 176.493 176.569 -0.076 18842 576 1 . 1 1 103 103 THR CA C 103 66.168 66.168 66.259 -0.091 18842 577 1 . 1 1 103 103 THR CB C 103 67.923 67.923 68.894 -0.972 18842 578 1 . 1 1 103 103 THR H H 103 7.694 7.694 7.906 -0.213 18842 579 1 . 1 1 104 104 LEU N N 104 119.248 119.248 121.493 -2.245 18842 580 1 . 1 1 104 104 LEU HA H 104 3.880 3.880 4.004 -0.124 18842 581 1 . 1 1 104 104 LEU C C 104 178.072 178.072 178.399 -0.327 18842 582 1 . 1 1 104 104 LEU CA C 104 58.046 58.046 58.572 -0.526 18842 583 1 . 1 1 104 104 LEU CB C 104 42.894 42.894 41.472 1.421 18842 584 1 . 1 1 104 104 LEU H H 104 8.530 8.530 8.707 -0.177 18842 585 1 . 1 1 105 105 GLN N N 105 119.071 119.071 117.364 1.707 18842 586 1 . 1 1 105 105 GLN HA H 105 3.968 3.968 3.858 0.110 18842 587 1 . 1 1 105 105 GLN C C 105 178.675 178.675 178.279 0.396 18842 588 1 . 1 1 105 105 GLN CA C 105 59.073 59.073 58.892 0.182 18842 589 1 . 1 1 105 105 GLN CB C 105 27.968 27.968 27.951 0.017 18842 590 1 . 1 1 105 105 GLN H H 105 8.623 8.623 7.797 0.826 18842 591 1 . 1 1 106 106 GLN N N 106 117.946 117.946 118.541 -0.595 18842 592 1 . 1 1 106 106 GLN HA H 106 4.039 4.039 4.079 -0.040 18842 593 1 . 1 1 106 106 GLN C C 106 178.677 178.677 178.310 0.367 18842 594 1 . 1 1 106 106 GLN CA C 106 58.715 58.715 58.259 0.456 18842 595 1 . 1 1 106 106 GLN CB C 106 28.464 28.464 28.294 0.170 18842 596 1 . 1 1 106 106 GLN H H 106 7.581 7.581 7.827 -0.246 18842 597 1 . 1 1 107 107 ILE N N 107 120.013 120.013 118.806 1.207 18842 598 1 . 1 1 107 107 ILE HA H 107 3.465 3.465 3.724 -0.259 18842 599 1 . 1 1 107 107 ILE C C 107 177.586 177.586 177.620 -0.034 18842 600 1 . 1 1 107 107 ILE CA C 107 65.482 65.482 64.064 1.418 18842 601 1 . 1 1 107 107 ILE CB C 107 39.139 39.139 38.318 0.822 18842 602 1 . 1 1 107 107 ILE H H 107 7.801 7.801 7.940 -0.139 18842 603 1 . 1 1 108 108 ILE N N 108 117.686 117.686 121.676 -3.990 18842 604 1 . 1 1 108 108 ILE HA H 108 3.784 3.784 3.791 -0.007 18842 605 1 . 1 1 108 108 ILE C C 108 179.171 179.171 178.519 0.652 18842 606 1 . 1 1 108 108 ILE CA C 108 65.603 65.603 64.653 0.950 18842 607 1 . 1 1 108 108 ILE CB C 108 38.241 38.241 37.175 1.066 18842 608 1 . 1 1 108 108 ILE H H 108 8.734 8.734 8.089 0.645 18842 609 1 . 1 1 109 109 SER N N 109 114.198 114.198 114.819 -0.621 18842 610 1 . 1 1 109 109 SER HA H 109 4.214 4.214 4.082 0.132 18842 611 1 . 1 1 109 109 SER C C 109 176.381 176.381 176.251 0.130 18842 612 1 . 1 1 109 109 SER CA C 109 61.564 61.564 61.526 0.038 18842 613 1 . 1 1 109 109 SER CB C 109 62.831 62.831 62.782 0.049 18842 614 1 . 1 1 109 109 SER H H 109 7.881 7.881 8.413 -0.532 18842 615 1 . 1 1 110 110 ARG N N 110 121.010 121.010 120.539 0.471 18842 616 1 . 1 1 110 110 ARG HA H 110 4.137 4.137 3.905 0.232 18842 617 1 . 1 1 110 110 ARG C C 110 178.636 178.636 178.204 0.432 18842 618 1 . 1 1 110 110 ARG CA C 110 58.376 58.376 58.805 -0.429 18842 619 1 . 1 1 110 110 ARG CB C 110 29.850 29.850 29.660 0.190 18842 620 1 . 1 1 110 110 ARG H H 110 7.550 7.550 7.383 0.167 18842 621 1 . 1 1 111 111 TYR N N 111 117.243 117.243 116.371 0.871 18842 622 1 . 1 1 111 111 TYR HA H 111 4.795 4.795 4.514 0.281 18842 623 1 . 1 1 111 111 TYR C C 111 176.218 176.218 177.395 -1.177 18842 624 1 . 1 1 111 111 TYR CA C 111 57.574 57.574 58.937 -1.363 18842 625 1 . 1 1 111 111 TYR CB C 111 37.492 37.492 37.762 -0.270 18842 626 1 . 1 1 111 111 TYR H H 111 7.496 7.496 7.546 -0.050 18842 627 1 . 1 1 112 112 LYS N N 112 121.040 121.040 120.890 0.150 18842 628 1 . 1 1 112 112 LYS HA H 112 4.334 4.334 4.077 0.257 18842 629 1 . 1 1 112 112 LYS C C 112 177.437 177.437 178.334 -0.897 18842 630 1 . 1 1 112 112 LYS CA C 112 57.630 57.630 59.056 -1.426 18842 631 1 . 1 1 112 112 LYS CB C 112 32.590 32.590 32.290 0.300 18842 632 1 . 1 1 112 112 LYS H H 112 7.755 7.755 7.507 0.248 18842 633 1 . 1 1 113 113 ASP N N 113 120.593 120.593 118.698 1.895 18842 634 1 . 1 1 113 113 ASP HA H 113 4.637 4.637 4.448 0.189 18842 635 1 . 1 1 113 113 ASP C C 113 176.587 176.587 177.654 -1.067 18842 636 1 . 1 1 113 113 ASP CB C 113 41.093 41.093 40.708 0.385 18842 637 1 . 1 1 113 113 ASP H H 113 8.246 8.246 8.047 0.199 18842 638 1 . 1 1 114 114 ALA N N 114 123.721 123.721 121.438 2.283 18842 639 1 . 1 1 114 114 ALA HA H 114 4.349 4.349 4.221 0.128 18842 640 1 . 1 1 114 114 ALA C C 114 178.004 178.004 178.250 -0.246 18842 641 1 . 1 1 114 114 ALA CA C 114 52.886 52.886 53.123 -0.237 18842 642 1 . 1 1 114 114 ALA CB C 114 19.265 19.265 19.388 -0.123 18842 643 1 . 1 1 114 114 ALA H H 114 8.038 8.038 7.727 0.311 18842 stop_ save_